Peak Residue N 0.001 0.005 0.005 0.010 0.015 0.02 0.025 0.03 0.03 0.04 0.05 a asigma b bsigma rmsd 0 30 11 7.7759095 6.591248 6.4998865 5.3070005 4.50648 4.0050745 3.06352275 2.33449125 2.559262 1.709674875 1.390446375 7.96 0.13 37.9 1.3 0.135914607726 1 31 11 20.75116 17.133822 17.327068 13.268397 10.59702 8.238456 6.6217465 5.0320235 5.078232 2.97397425 1.871855375 21.88 0.16 48.8 0.6 0.104264859441 2 35 11 9.100823 7.7218875 7.3322895 6.000266 4.638628 3.66234 2.515503 2.414983 2.160284 1.632968625 0.825805625 9.58 0.14 48.3 1.3 0.165898880392 3 36 11 12.31619 10.197005 10.409747 7.997674 6.329006 4.9263955 4.06477325 2.93387525 2.9426385 1.658311875 1.1194475 13.07 0.15 48.8 1.1 0.115357735946 4 92 11 11.882125 10.046976 9.701281 7.524432 5.6496665 4.19301 3.724676 2.394085 2.84373225 1.6470475 1.15627625 12.62 0.15 51.8 1.2 0.198955875165 5 41 11 25.187582 21.482826 21.38446 16.254417 12.651027 9.72798 7.744375 6.0097475 5.7977085 3.5643715 2.10093525 27.04 0.13 50.4 0.5 0.251578903751 6 44 11 10.527041 8.924609 8.769817 6.758403 5.391364 4.13239775 3.37490875 2.4264405 2.57862125 1.824517625 1.052014875 11.14 0.15 48.4 1.3 0.116330231145 7 45 11 8.2876025 6.7782455 6.737187 5.7229585 4.266601 3.7275275 2.40057975 2.14603475 2.12699625 1.645906625 1.0449145625 8.6 0.14 45.1 1.4 0.188679132822 8 46 11 9.632469 7.7680405 8.2101065 6.5953725 5.2503115 3.7771465 2.71620625 2.475731 2.2436105 1.5798375 1.04729075 10.21 0.15 48.0 1.3 0.206411613043 9 47 11 31.224534 25.95496 25.459524 20.052824 15.567949 11.907262 9.474517 7.3222255 7.098841 4.354121 2.85215 32.97 0.15 50.24 0.43 0.157398382316 10 48 11 34.509004 29.390124 28.86745 23.247822 18.238978 14.146495 11.486262 8.830835 8.78224 5.2908605 3.39814875 36.64 0.14 47.01 0.36 0.256807576709 11 49 11 27.464618 22.927464 22.868694 18.30374 14.126687 11.514077 9.080433 7.577955 6.981296 4.7402745 2.8142645 28.78 0.16 45.98 0.44 0.174672832862 12 50 11 20.63833 16.599723 16.739077 13.120396 9.871244 7.9143795 6.190075 4.679299 4.9787375 2.86367725 1.899565125 21.54 0.15 50.2 0.6 0.136865316229 13 51 11 28.567614 24.10017 23.926436 19.376048 15.238447 12.163452 9.706206 7.8637585 8.030141 5.3560755 3.07874825 29.94 0.14 44.45 0.41 0.151180049373 14 52 11 8.939649 7.942341 8.0753235 6.3942285 5.2605435 4.19364325 3.52308875 2.867915 2.924274 2.14963125 1.21455575 9.54 0.15 39.5 1.2 0.133138092159 15 53 11 7.034235 6.104219 6.0326555 4.9626555 4.1824265 3.40558425 2.960302 2.599922 2.14311625 1.621161375 1.331531375 7.27 0.14 36.8 1.5 0.120443630947 16 54 11 12.39851 10.732901 10.739366 9.069318 6.8536765 5.9332975 5.3487185 4.12057325 4.2341805 2.51887275 1.8955925 12.96 0.12 38.3 0.8 0.2136190498 17 56 11 36.6645 32.111874 31.57763 26.67635 22.549132 18.915342 16.033588 13.499918 13.582079 9.267425 6.9722015 37.85 0.12 34.48 0.25 0.169479043791 18 57 11 7.9625645 6.5452965 6.651083 4.9806185 3.8791095 3.39914175 2.50246575 1.882254 2.1228765 1.0497205 1.102444625 8.31 0.15 47.7 1.6 0.163487247004 19 58 11 7.0775275 6.2971735 6.347351 4.71246 3.6235805 2.7709545 2.28432375 1.823376875 1.947066875 1.131530625 0.8893303125 7.7 0.15 47.7 1.7 0.168240983526 20 59 11 4.04343775 3.76452025 3.55843725 2.9410105 2.49489925 1.707354125 1.29239875 1.0279803125 1.096105875 1.0446161875 0.3530486875 4.45 0.13 44.5 2.4 0.168316128083 21 60 11 2.595239 1.50251125 2.192143 1.5204015 1.14654525 0.716241875 0.7730491875 0.37463865625 0.512546625 0.4161153125 0.285811625 2.58 0.15 55.4 5.3 0.183148595187 22 62 11 5.5693805 4.442844 4.2512695 3.70894075 2.7567235 2.1575565 1.609369875 1.42057625 1.053399125 0.8019976875 0.578319 5.75 0.13 49.6 2.4 0.134409415567 23 64 11 31.430568 26.292492 26.45665 20.680574 16.682609 13.022624 10.027487 8.0422805 7.9667005 5.192561 3.417066 33.15 0.14 46.79 0.43 0.174153836047 24 70 11 14.877595 12.639845 12.740154 9.658162 7.780393 5.8599715 4.247922 3.317407 3.250197 2.3534245 1.387697125 16.03 0.15 50.5 0.9 0.230079624046 25 71 11 13.605554 11.378947 11.492071 8.717676 6.6133275 5.5826375 4.01552525 3.36446025 3.4064065 1.85141025 1.4185435 14.43 0.14 49.3 0.9 0.169438508529 26 72 11 12.655614 10.821649 10.630884 8.1071265 6.695668 5.2582815 4.217516 2.9959905 3.7663295 1.987858125 0.9835543125 13.39 0.14 46.9 1.1 0.226462533614 27 86 11 15.194973 12.128221 12.268885 9.384933 7.053198 5.480437 4.273148 3.22508675 3.036439 1.760430125 1.287754875 16.0 0.15 53.8 0.9 0.0988914229514 28 87 11 3.587796 2.8274025 2.96565675 2.41661 1.936507875 1.1894515 1.3959 1.086763875 1.13099075 0.673577125 0.8738915 3.59 0.13 40.4 3.1 0.184201102786 29 88 11 4.3551235 3.6080095 3.3546815 2.5520195 2.352737 1.687228625 1.104571375 1.115875125 0.9457493125 0.4174265 0.61514475 4.51 0.14 50.4 3.0 0.156465137827 30 89 11 4.6541375 3.67285775 3.6719795 2.73206125 2.3706635 1.843360125 1.323709 1.01759625 1.049973625 0.7247986875 0.36699875 4.79 0.16 50.3 2.7 0.0828731783149 31 91 11 0.618673625 0.76962925 0.7721551875 0.5965021875 0.65916775 -0.36962803125 -0.240865625 0.243944828125 0.41041546875 0.34762765625 0.4022755 0.83 0.14 52.0 17.2 0.308214431911 32 94 11 2.44622575 2.1392715 2.1239 1.62102025 0.8263314375 1.02212575 0.681740875 0.5737825 0.70156825 0.5511855625 0.3414203125 2.6 0.14 49.4 5.0 0.155224267014 33 95 11 11.469475 9.194722 9.408143 7.2213515 5.5556785 4.05916625 3.12519075 2.792861 2.43234325 1.436533625 1.005178375 12.09 0.15 52.4 1.2 0.129360432029 34 96 11 13.736048 11.61647 11.833758 9.349661 7.771946 6.052306 4.707975 3.92523025 4.11705275 2.6387475 1.494585125 14.47 0.15 43.2 0.9 0.133479778345 35 97 11 15.825924 13.197446 13.637831 10.54942 8.2598465 6.725918 5.415368 4.273954 4.140158 2.48533375 1.573553 16.75 0.14 46.1 0.8 0.145974302227 36 98 11 8.3616385 6.819997 6.835421 5.4466725 4.05208775 3.5572605 2.79750825 2.45656225 2.1414625 1.181285 1.0082843125 8.63 0.14 45.8 1.5 0.150233545582 37 99 11 7.6232365 6.394584 6.145343 4.7049105 3.836406 3.0307265 2.51172225 1.730796125 1.772583875 1.204776375 0.8121344375 7.96 0.14 48.7 1.8 0.109236734915 38 100 11 16.972324 13.779503 14.231463 11.041996 8.981806 7.156169 5.6783355 4.497935 4.684878 2.79152625 2.0740255 17.6 0.14 45.1 0.6 0.148443856065 39 101 11 10.277151 8.421386 8.578296 6.672337 4.9172685 4.02501075 2.84720625 2.5377385 2.30374375 1.57868875 0.8883405 10.88 0.14 50.6 1.2 0.124710334243 40 102 11 8.008747 6.4217175 6.670638 5.333698 3.746639 3.39014275 2.23705475 1.97574525 1.912524625 1.30306175 0.9845516875 8.37 0.15 48.5 1.5 0.174927601966 41 103 11 6.5747485 5.9902935 5.660533 4.500466 3.61406675 2.71925125 1.926142875 1.604598375 1.648718125 1.140864875 0.69146225 7.19 0.14 48.1 2.0 0.161017915611 42 104 11 41.68948 35.18756 35.276128 27.972626 21.660526 17.59236 13.703984 11.049058 10.961248 7.009292 4.232573 44.07 0.14 46.26 0.3 0.221144092794 43 107 11 8.808784 7.2494205 7.6194215 6.233241 5.127956 4.250283 3.575309 2.60772475 3.27716425 2.101618 1.107832375 9.07 0.14 38.0 1.0 0.18870574241 44 108 11 12.715537 11.134914 10.784324 8.847609 6.501416 5.0364845 4.155895 3.0769475 3.334821 1.7729055 1.2571515 13.73 0.16 48.3 1.0 0.222138803325 45 114 11 10.684448 9.122755 9.097469 7.39646 6.249279 4.729699 3.84845525 2.88428175 2.61157525 2.15820325 1.25504125 11.32 0.15 43.7 1.1 0.197348871413 46 115 11 5.981257 5.3225815 5.133269 4.3724335 3.7595475 3.2645895 2.848701 2.19640075 2.402585 1.9754185 1.370702375 6.09 0.13 31.0 1.6 0.110141879659 47 116 11 10.320581 8.3443645 8.417424 6.515769 4.9853165 3.712372 3.11140125 2.3265025 2.33048875 1.515296375 1.248637125 10.79 0.14 50.5 1.1 0.141873984481 48 117 11 23.977096 19.661658 19.674892 15.492618 11.506429 8.762391 6.7477955 5.199749 5.238055 3.3496425 1.939142 25.47 0.15 52.3 0.6 0.174004205875 49 118 11 17.11604 13.9222 14.374599 10.843859 8.734015 6.6140105 5.0944985 4.121025 4.2466195 2.57221725 1.414956625 18.03 0.13 49.4 0.7 0.144558029425 50 119 11 9.906991 7.93011 7.8917035 5.984199 4.711502 3.85044925 2.8079745 2.3036645 1.98377175 1.29096475 1.062305375 10.29 0.15 51.5 1.4 0.140650938131 51 120 11 9.371481 7.7819165 7.3776115 6.06851 4.348972 3.286744 2.4110845 1.571369375 1.70771475 1.0944265 1.0099999375 10.03 0.13 55.8 1.6 0.210825012642 52 121 11 11.616817 9.449197 9.336829 7.0210705 5.3084815 3.912872 2.865596 2.080235375 2.45913125 1.266653625 0.6363764375 12.41 0.17 57.1 1.3 0.105262132576 53 122 11 10.712414 8.938453 8.807216 7.1229295 4.974582 4.218899 3.20458325 2.37356925 2.43201125 1.613998375 0.859973625 11.39 0.15 50.9 1.2 0.151472368216 54 123 11 7.804412 6.384768 6.233342 5.056832 3.69703025 2.661596 2.11840775 1.651787125 1.75841525 1.359676 0.5191331875 8.23 0.15 52.5 1.8 0.148478668872 55 124 11 9.201456 7.900889 7.9523225 6.415438 5.306216 4.462265 3.51980075 3.13558325 2.9226465 1.79961075 1.0120868125 9.65 0.15 40.1 1.2 0.130885169385 56 125 11 16.128873 13.328913 13.562858 10.709888 8.1882515 6.71912 4.850837 3.8512275 3.982775 2.674289 1.54772025 17.05 0.15 48.2 0.9 0.155513627537 57 126 11 16.327801 13.477407 13.865962 11.018146 8.831038 6.77415 5.645371 4.2100645 4.5263785 2.6459065 1.978305375 17.14 0.14 45.2 0.8 0.155209348149 58 128 11 15.358086 12.929597 12.578777 10.019326 7.619869 6.258557 4.7930815 4.221944 3.706342 2.296976 1.294537625 16.16 0.14 48.1 0.8 0.176228247895 59 129 11 32.830534 26.99966 27.069194 20.798126 16.424664 12.726642 10.3093 7.7640315 8.002386 4.601294 2.78457725 34.52 0.15 49.51 0.4 0.151264413917 60 130 11 33.865784 28.1955 27.75438 21.90833 16.990694 13.079986 10.212294 7.939866 7.7818305 4.891104 3.14118275 35.8 0.14 49.95 0.39 0.162746852429 61 131 11 17.108154 14.426188 14.636711 11.7242 8.911451 7.4044805 5.765104 4.6025585 4.9626915 3.3587565 2.18147375 17.97 0.15 44.1 0.7 0.199966770121 62 132 11 23.3383 18.910162 19.289554 14.817104 11.186576 8.861093 6.6257305 5.051505 5.3502155 3.28203125 1.8541285 24.66 0.14 51.7 0.6 0.14417138962 63 133 11 14.863126 12.331574 11.995548 9.466126 7.709258 5.767958 4.830468 3.646928 3.9039305 2.2026635 1.678436 15.46 0.13 47.4 0.8 0.158830077355 64 136 11 30.86228 25.415942 25.42146 19.78378 15.261008 11.716393 9.214865 7.02265 7.022522 4.797381 2.72304625 32.58 0.16 50.37 0.43 0.17734808229 65 137 11 18.590586 16.152937 15.986487 13.112474 10.804748 8.691578 6.6587525 5.3242105 5.7255105 3.740026 2.39444725 19.68 0.13 41.6 0.5 0.194376909335 66 138 11 8.2740245 6.8700955 6.7642045 5.8157235 4.806946 3.94325575 3.363821 2.876983 2.77134475 1.87293075 1.3275435 8.37 0.14 37.0 1.2 0.0993381957362 67 139 11 6.9901615 5.2134325 5.401607 3.866799 3.492211 2.3023865 1.67751075 1.348477 1.923302625 1.084289625 0.6384065 7.05 0.14 52.2 2.0 0.247620528743 68 140 11 6.4654225 5.483373 5.517988 4.4555165 2.91507325 2.59989925 1.996254125 1.526701375 1.4972035 1.170848 0.7852646875 6.91 0.14 49.1 2.1 0.172331631905 69 141 11 6.851187 5.58636 5.6935575 4.1673755 3.3936355 2.73775325 1.944940125 1.483254375 1.4687275 0.6729730625 0.69398125 7.26 0.16 52.2 2.1 0.117281979151 70 142 11 6.4015145 5.543713 5.3325345 4.497345 3.511384 2.63554925 2.34835675 1.8843295 1.64611575 1.251895125 0.608870375 6.77 0.15 44.2 1.8 0.114818482145 71 144 11 13.943136 11.714045 11.679454 8.739513 7.102415 5.6567325 4.111993 3.323977 3.37136775 2.22465975 1.206913625 14.77 0.16 49.3 0.8 0.146273798668 72 145 11 9.717353 8.1067355 8.3621025 5.723759 4.946016 3.6129255 2.53145 2.31510875 2.15633925 1.477040625 0.98411975 10.37 0.14 51.9 1.2 0.229852405967 73 147 11 49.320368 41.55964 41.717916 32.705576 26.224064 21.257282 16.366608 13.348327 13.405301 8.133807 5.1834385 51.95 0.14 45.53 0.22 0.24267051019 74 148 11 45.51866 37.960624 38.069336 30.716234 23.943904 19.260758 15.348797 12.294001 12.255186 7.9578985 4.7370855 47.71 0.15 45.29 0.28 0.164051395283 75 149 11 12.574049 10.601613 10.710852 8.24056 6.785746 5.4270235 4.4429 3.472139 3.195701 2.483263 1.62446525 13.16 0.14 44.2 0.9 0.154319005441 76 150 11 5.395445 4.768989 4.6817745 3.70396 2.8002075 2.067475 2.1528905 1.87360425 1.83394125 0.8663695 0.707410375 5.69 0.13 42.1 1.9 0.194912397885 77 153 11 9.970895 8.2500955 8.804866 7.256791 5.6189295 4.442073 3.811106 2.6833705 2.88421275 1.732947625 1.13586775 10.6 0.15 43.0 1.2 0.203282640185 78 154 11 35.186716 29.816098 29.551702 23.869728 18.855408 15.219616 12.077757 9.561114 9.303922 5.910343 4.16559825 37.06 0.15 44.95 0.33 0.190662053313 79 155 11 4.898949 3.86849925 4.246769 2.98281925 2.222831 1.9210455 1.510654125 0.81575125 0.689666 0.8049915625 0.519825875 5.24 0.15 54.4 2.8 0.185549055767 80 157 11 5.1873755 4.2396935 4.125931 3.6203445 2.68828625 2.19299775 2.021948625 1.441227125 1.553920875 1.067775625 0.8331018125 5.25 0.13 41.0 2.0 0.119396463942 81 158 11 18.698046 15.435212 15.250521 11.718934 8.819608 6.7027415 4.723636 4.1212565 3.52261125 2.15788775 1.237674875 20.04 0.15 55.1 0.7 0.201738448819 82 159 11 5.6907005 4.958725 4.9077465 3.81953725 3.01428425 2.59628 2.188162 1.582111625 1.382856875 1.261057375 0.8265799375 6.0 0.14 42.9 2.1 0.13423689855 83 160 11 26.907912 22.421752 22.909818 17.99001 13.41999 10.715416 8.407151 6.6362095 6.405654 4.14252125 2.68410425 28.64 0.14 48.78 0.46 0.260681057359 84 161 11 36.69426 30.751932 30.810866 23.903514 18.663892 14.793361 11.705165 9.095877 9.062847 5.966188 3.450747 38.8 0.15 48.07 0.31 0.188154939775 85 162 11 14.360825 11.794288 11.671275 9.169782 7.2850995 5.628444 4.921692 3.62885125 3.8170765 2.4136305 1.420008 14.86 0.14 46.6 0.8 0.148852384155 86 163 11 9.849912 8.119997 8.454128 6.325529 4.87268 3.496885 3.02336675 2.21567425 2.221003 1.659298875 0.875496625 10.51 0.16 50.9 1.5 0.166266196323 87 164 11 9.393406 8.231137 8.3240585 6.2841105 4.626728 3.70286925 2.8539905 2.27162725 2.42406825 1.4343015 0.843325125 10.25 0.14 49.7 1.3 0.187559259596 88 165 11 14.811117 12.427623 12.093818 9.157115 6.978832 5.412496 4.306883 3.32346275 3.08787 1.852857875 0.87282425 15.8 0.15 53.4 0.9 0.154144541571 89 167 11 6.2066575 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