REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2npe_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAVADKADNA FMMICTALVL FMTIPGIALF YGGLIRGKNV LSMLTQVTVT DATA SEQUENCE FALVCILWVV YGYSLAFGEG NNFFGNINWL MLKNIELTAV MGSIYQYIHV DATA SEQUENCE AFQGSFACIT VGLIVGALAE RIRFSAVLIF VVVWLTLSYI PIAHMVWGGG DATA SEQUENCE LLASHGALDF AGGTVVHINA AIAGLVGAYL XXXXXXXXXX XXXPHNLPMV DATA SEQUENCE FTGTAILYIG WFGFNAGSAG TANEIAALAF VNTVVATAAA ILGWIFGEWA DATA SEQUENCE LRGKPSLLGA CSGAIAGLVG VTPACGYIGV GGALIIGVVA GLAGLWGVTM DATA SEQUENCE LKRXXXXXDP CDVFGVAGVC GIVGCIMTGI FAASSLGGVG FAEGVTMGHQ DATA SEQUENCE LLVQLESIAI TIVWSGVVAF IGYKLADLTV GLRVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.293 177.300 -0.011 0.000 1.155 2 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 2 P CB 0.000 31.703 31.700 0.005 0.000 0.726 3 A N 0.287 123.098 122.820 -0.015 0.000 2.440 3 A HA 0.576 4.897 4.320 0.001 0.000 0.251 3 A C -0.095 177.457 177.584 -0.053 0.000 1.089 3 A CA -0.239 51.778 52.037 -0.034 0.000 0.779 3 A CB 0.386 19.364 19.000 -0.037 0.000 1.022 3 A HN 0.357 nan 8.150 nan 0.000 0.492 4 V N 1.943 121.811 119.914 -0.075 0.000 2.604 4 V HA 0.592 4.713 4.120 0.001 0.000 0.305 4 V C 0.596 176.584 176.094 -0.175 0.000 1.043 4 V CA -0.250 61.987 62.300 -0.105 0.000 0.888 4 V CB 1.732 33.515 31.823 -0.067 0.000 0.995 4 V HN 1.250 nan 8.190 nan 0.000 0.429 5 A N 3.484 126.119 122.820 -0.309 0.000 2.450 5 A HA 0.395 4.715 4.320 0.001 0.000 0.255 5 A C -0.043 177.379 177.584 -0.271 0.000 1.096 5 A CA -0.104 51.666 52.037 -0.445 0.000 0.778 5 A CB 0.162 18.488 19.000 -1.124 0.000 1.031 5 A HN 0.808 nan 8.150 nan 0.000 0.494 6 D N 2.380 122.665 120.400 -0.191 0.000 2.317 6 D HA 0.185 4.826 4.640 0.001 0.000 0.234 6 D C 0.829 177.082 176.300 -0.079 0.000 1.112 6 D CA -0.287 53.647 54.000 -0.109 0.000 0.840 6 D CB 0.925 41.674 40.800 -0.084 0.000 1.078 6 D HN 0.530 nan 8.370 nan 0.000 0.486 7 K N 2.360 122.735 120.400 -0.042 0.000 2.127 7 K HA -0.220 4.101 4.320 0.001 0.000 0.208 7 K C 1.836 178.444 176.600 0.013 0.000 1.047 7 K CA 1.694 57.983 56.287 0.005 0.000 0.927 7 K CB 0.054 32.566 32.500 0.019 0.000 0.716 7 K HN 0.506 nan 8.250 nan 0.000 0.450 8 A N 1.747 124.564 122.820 -0.004 0.000 1.883 8 A HA -0.226 4.095 4.320 0.001 0.000 0.217 8 A C 1.665 179.270 177.584 0.035 0.000 1.186 8 A CA 2.045 54.083 52.037 0.002 0.000 0.624 8 A CB -0.450 18.528 19.000 -0.037 0.000 0.822 8 A HN 0.194 nan 8.150 nan 0.000 0.444 9 D N -0.053 120.354 120.400 0.011 0.000 2.144 9 D HA -0.103 4.538 4.640 0.001 0.000 0.200 9 D C 1.640 177.980 176.300 0.067 0.000 0.978 9 D CA 0.958 54.989 54.000 0.051 0.000 0.833 9 D CB -0.403 40.391 40.800 -0.011 0.000 0.961 9 D HN 0.355 nan 8.370 nan 0.000 0.470 10 N N 1.016 119.734 118.700 0.030 0.000 2.069 10 N HA -0.135 4.606 4.740 0.001 0.000 0.191 10 N C 1.762 177.318 175.510 0.078 0.000 1.031 10 N CA 1.411 54.495 53.050 0.057 0.000 0.852 10 N CB -0.426 38.115 38.487 0.089 0.000 1.018 10 N HN 0.137 nan 8.380 nan 0.000 0.423 11 A N 0.472 123.345 122.820 0.089 0.000 1.902 11 A HA -0.116 4.205 4.320 0.001 0.000 0.217 11 A C 2.123 179.791 177.584 0.140 0.000 1.181 11 A CA 0.955 53.049 52.037 0.096 0.000 0.623 11 A CB -0.906 18.145 19.000 0.085 0.000 0.818 11 A HN 0.269 nan 8.150 nan 0.000 0.443 12 F N 0.122 120.067 119.950 -0.009 0.000 2.134 12 F HA -0.150 4.377 4.527 0.001 0.000 0.299 12 F C 2.187 177.978 175.800 -0.015 0.000 1.097 12 F CA 1.722 59.719 58.000 -0.005 0.000 1.264 12 F CB -0.246 38.740 39.000 -0.023 0.000 1.001 12 F HN 0.089 nan 8.300 nan 0.000 0.479 13 M N -0.518 119.041 119.600 -0.069 0.000 2.200 13 M HA -0.160 4.321 4.480 0.001 0.000 0.265 13 M C 2.252 178.476 176.300 -0.127 0.000 1.066 13 M CA 1.425 56.568 55.300 -0.262 0.000 1.127 13 M CB -1.210 31.263 32.600 -0.211 0.000 1.379 13 M HN 0.260 nan 8.290 nan 0.000 0.420 14 M N -0.474 119.112 119.600 -0.024 0.000 2.175 14 M HA -0.163 4.318 4.480 0.001 0.000 0.264 14 M C 1.895 178.206 176.300 0.018 0.000 1.063 14 M CA 1.013 56.327 55.300 0.023 0.000 1.119 14 M CB -0.315 32.309 32.600 0.040 0.000 1.377 14 M HN 0.103 nan 8.290 nan 0.000 0.415 15 I N 0.043 120.612 120.570 -0.002 0.000 2.179 15 I HA -0.260 3.911 4.170 0.001 0.000 0.242 15 I C 2.536 178.648 176.117 -0.008 0.000 1.088 15 I CA 1.209 62.513 61.300 0.007 0.000 1.357 15 I CB -1.635 36.386 38.000 0.036 0.000 1.051 15 I HN 0.379 nan 8.210 nan 0.000 0.409 16 C N 0.575 119.804 119.300 -0.118 0.000 2.413 16 C HA -0.169 4.291 4.460 0.001 0.000 0.277 16 C C 2.975 178.084 174.990 0.198 0.000 1.265 16 C CA 1.526 60.519 59.018 -0.042 0.000 1.752 16 C CB -1.197 26.373 27.740 -0.284 0.000 1.998 16 C HN 0.541 nan 8.230 nan 0.000 0.489 17 T N 1.030 115.720 114.554 0.227 0.000 2.737 17 T HA -0.106 4.245 4.350 0.001 0.000 0.265 17 T C 2.161 176.937 174.700 0.126 0.000 1.038 17 T CA 1.553 63.797 62.100 0.241 0.000 1.144 17 T CB -0.464 68.528 68.868 0.205 0.000 0.866 17 T HN 0.639 nan 8.240 nan 0.000 0.434 18 A N 1.480 124.354 122.820 0.090 0.000 1.892 18 A HA -0.079 4.242 4.320 0.001 0.000 0.218 18 A C 2.302 179.938 177.584 0.086 0.000 1.188 18 A CA 1.449 53.522 52.037 0.060 0.000 0.631 18 A CB -1.003 18.006 19.000 0.016 0.000 0.822 18 A HN 0.490 nan 8.150 nan 0.000 0.447 19 L N -0.674 120.617 121.223 0.114 0.000 2.131 19 L HA -0.151 4.190 4.340 0.001 0.000 0.210 19 L C 2.439 179.415 176.870 0.177 0.000 1.092 19 L CA 0.922 55.877 54.840 0.191 0.000 0.759 19 L CB -0.398 41.777 42.059 0.194 0.000 0.903 19 L HN 0.271 nan 8.230 nan 0.000 0.435 20 V N -0.306 119.672 119.914 0.107 0.000 2.407 20 V HA -0.209 3.911 4.120 0.001 0.000 0.245 20 V C 2.361 178.460 176.094 0.008 0.000 1.041 20 V CA 1.097 63.398 62.300 0.001 0.000 1.040 20 V CB -0.261 31.503 31.823 -0.098 0.000 0.671 20 V HN 0.330 nan 8.190 nan 0.000 0.455 21 L N -0.891 120.378 121.223 0.076 0.000 2.081 21 L HA -0.237 4.104 4.340 0.001 0.000 0.212 21 L C 2.427 179.364 176.870 0.111 0.000 1.080 21 L CA 1.842 56.758 54.840 0.127 0.000 0.754 21 L CB -0.671 41.487 42.059 0.165 0.000 0.893 21 L HN 0.372 nan 8.230 nan 0.000 0.433 22 F N 0.557 120.476 119.950 -0.051 0.000 2.325 22 F HA -0.125 4.403 4.527 0.001 0.000 0.299 22 F C 2.393 178.135 175.800 -0.096 0.000 1.090 22 F CA 1.015 58.976 58.000 -0.066 0.000 1.392 22 F CB -0.314 38.670 39.000 -0.026 0.000 1.053 22 F HN -0.022 nan 8.300 nan 0.000 0.521 23 M N -0.760 118.785 119.600 -0.091 0.000 2.149 23 M HA -0.219 4.261 4.480 0.001 0.000 0.261 23 M C 1.837 178.002 176.300 -0.225 0.000 1.064 23 M CA 2.208 57.362 55.300 -0.244 0.000 1.102 23 M CB -0.765 31.658 32.600 -0.296 0.000 1.369 23 M HN 0.026 nan 8.290 nan 0.000 0.408 24 T N 0.104 114.560 114.554 -0.164 0.000 2.866 24 T HA 0.144 4.495 4.350 0.001 0.000 0.250 24 T C 0.857 175.418 174.700 -0.232 0.000 1.033 24 T CA 0.626 62.626 62.100 -0.167 0.000 1.145 24 T CB 0.310 69.114 68.868 -0.106 0.000 0.866 24 T HN 0.052 nan 8.240 nan 0.000 0.434 25 I N 3.357 123.761 120.570 -0.276 0.000 2.371 25 I HA 0.271 4.442 4.170 0.001 0.000 0.282 25 I C -2.108 173.976 176.117 -0.056 0.000 1.031 25 I CA -2.612 58.524 61.300 -0.274 0.000 1.180 25 I CB 1.332 39.018 38.000 -0.524 0.000 1.336 25 I HN 0.053 nan 8.210 nan 0.000 0.467 26 P HA 0.162 nan 4.420 nan 0.000 0.274 26 P C 1.256 178.457 177.300 -0.165 0.000 1.352 26 P CA 0.139 63.169 63.100 -0.117 0.000 0.947 26 P CB 0.928 32.597 31.700 -0.051 0.000 1.437 27 G N 1.905 110.540 108.800 -0.274 0.000 2.586 27 G HA2 -0.301 3.660 3.960 0.001 0.000 0.218 27 G HA3 -0.301 3.660 3.960 0.001 0.000 0.218 27 G C 1.298 176.108 174.900 -0.150 0.000 1.216 27 G CA 0.965 45.893 45.100 -0.287 0.000 0.786 27 G HN 0.336 nan 8.290 nan 0.000 0.583 28 I N 1.143 121.640 120.570 -0.122 0.000 2.761 28 I HA 0.240 4.411 4.170 0.001 0.000 0.261 28 I C 2.838 179.028 176.117 0.122 0.000 1.198 28 I CA 1.242 62.521 61.300 -0.035 0.000 1.482 28 I CB -0.019 37.965 38.000 -0.027 0.000 1.100 28 I HN 0.187 nan 8.210 nan 0.000 0.445 29 A N 0.297 123.147 122.820 0.050 0.000 1.969 29 A HA -0.087 4.234 4.320 0.001 0.000 0.218 29 A C 2.186 179.811 177.584 0.070 0.000 1.169 29 A CA 1.491 53.571 52.037 0.072 0.000 0.635 29 A CB -0.709 18.289 19.000 -0.004 0.000 0.810 29 A HN 0.481 nan 8.150 nan 0.000 0.445 30 L N -2.469 118.768 121.223 0.023 0.000 2.209 30 L HA 0.014 4.354 4.340 0.001 0.000 0.207 30 L C 2.373 179.237 176.870 -0.009 0.000 1.094 30 L CA 0.728 55.566 54.840 -0.003 0.000 0.790 30 L CB -0.469 41.569 42.059 -0.034 0.000 0.932 30 L HN 0.475 nan 8.230 nan 0.000 0.447 31 F N 0.538 120.395 119.950 -0.154 0.000 2.069 31 F HA -0.299 4.228 4.527 0.001 0.000 0.298 31 F C 2.403 178.069 175.800 -0.223 0.000 1.113 31 F CA 1.779 59.635 58.000 -0.239 0.000 1.214 31 F CB -0.378 38.410 39.000 -0.355 0.000 0.978 31 F HN -0.081 nan 8.300 nan 0.000 0.474 32 Y N 0.528 120.835 120.300 0.012 0.000 2.224 32 Y HA -0.032 4.519 4.550 0.001 0.000 0.289 32 Y C 2.737 178.562 175.900 -0.126 0.000 1.146 32 Y CA 1.262 59.311 58.100 -0.085 0.000 1.182 32 Y CB -1.346 37.124 38.460 0.017 0.000 0.983 32 Y HN 0.155 nan 8.280 nan 0.000 0.524 33 G N -0.831 108.012 108.800 0.072 0.000 2.462 33 G HA2 -0.200 3.761 3.960 0.001 0.000 0.220 33 G HA3 -0.200 3.761 3.960 0.001 0.000 0.220 33 G C 1.925 176.759 174.900 -0.109 0.000 1.121 33 G CA 0.983 46.105 45.100 0.038 0.000 0.758 33 G HN 0.526 nan 8.290 nan 0.000 0.559 34 G N -0.202 108.433 108.800 -0.275 0.000 2.777 34 G HA2 0.196 4.157 3.960 0.001 0.000 0.211 34 G HA3 0.196 4.157 3.960 0.001 0.000 0.211 34 G C 1.580 176.165 174.900 -0.525 0.000 1.149 34 G CA -0.001 44.786 45.100 -0.522 0.000 0.785 34 G HN 0.409 nan 8.290 nan 0.000 0.536 35 L N 0.551 121.578 121.223 -0.327 0.000 2.145 35 L HA 0.317 4.657 4.340 0.001 0.000 0.201 35 L C 1.749 178.606 176.870 -0.023 0.000 1.075 35 L CA 0.080 54.795 54.840 -0.209 0.000 0.773 35 L CB -0.299 41.617 42.059 -0.238 0.000 0.936 35 L HN 0.267 nan 8.230 nan 0.000 0.451 36 I N -1.115 119.494 120.570 0.065 0.000 3.138 36 I HA 0.140 4.311 4.170 0.001 0.000 0.288 36 I C 0.748 176.982 176.117 0.195 0.000 1.148 36 I CA -0.756 60.605 61.300 0.102 0.000 1.315 36 I CB 0.316 38.356 38.000 0.067 0.000 1.426 36 I HN 0.021 nan 8.210 nan 0.000 0.615 37 R N 2.509 123.052 120.500 0.071 0.000 2.570 37 R HA 0.169 4.510 4.340 0.001 0.000 0.277 37 R C 1.110 177.307 176.300 -0.171 0.000 1.039 37 R CA 1.002 57.094 56.100 -0.013 0.000 1.065 37 R CB 0.663 30.941 30.300 -0.036 0.000 0.964 37 R HN 0.867 nan 8.270 nan 0.000 0.428 38 G N 4.434 112.949 108.800 -0.474 0.000 2.469 38 G HA2 -0.349 3.612 3.960 0.001 0.000 0.220 38 G HA3 -0.349 3.612 3.960 0.001 0.000 0.220 38 G C 0.814 175.537 174.900 -0.294 0.000 1.136 38 G CA 1.154 45.821 45.100 -0.722 0.000 0.759 38 G HN 0.798 nan 8.290 nan 0.000 0.562 39 K N -0.047 120.244 120.400 -0.181 0.000 2.486 39 K HA 0.081 4.401 4.320 0.001 0.000 0.194 39 K C 1.007 177.562 176.600 -0.075 0.000 1.033 39 K CA 0.799 57.023 56.287 -0.105 0.000 1.004 39 K CB 0.011 32.463 32.500 -0.079 0.000 0.798 39 K HN 0.154 nan 8.250 nan 0.000 0.495 40 N N 0.930 119.585 118.700 -0.075 0.000 2.205 40 N HA 0.033 4.773 4.740 0.001 0.000 0.201 40 N C 1.352 176.840 175.510 -0.037 0.000 1.128 40 N CA 0.076 53.095 53.050 -0.051 0.000 0.867 40 N CB 0.773 39.232 38.487 -0.046 0.000 0.996 40 N HN -0.029 nan 8.380 nan 0.000 0.503 41 V N 1.425 121.322 119.914 -0.028 0.000 2.270 41 V HA -0.132 3.988 4.120 0.001 0.000 0.245 41 V C 2.428 178.520 176.094 -0.002 0.000 1.043 41 V CA 1.195 63.504 62.300 0.014 0.000 1.014 41 V CB -0.436 31.419 31.823 0.053 0.000 0.645 41 V HN 0.224 nan 8.190 nan 0.000 0.447 42 L N 0.110 121.328 121.223 -0.009 0.000 2.043 42 L HA -0.244 4.096 4.340 0.001 0.000 0.212 42 L C 2.708 179.567 176.870 -0.017 0.000 1.075 42 L CA 2.088 56.925 54.840 -0.005 0.000 0.752 42 L CB -0.683 41.375 42.059 -0.002 0.000 0.891 42 L HN 0.427 nan 8.230 nan 0.000 0.432 43 S N -0.635 115.045 115.700 -0.034 0.000 2.371 43 S HA -0.190 4.281 4.470 0.001 0.000 0.224 43 S C 2.007 176.535 174.600 -0.121 0.000 1.029 43 S CA 1.001 59.162 58.200 -0.065 0.000 0.978 43 S CB -0.102 63.063 63.200 -0.059 0.000 0.833 43 S HN 0.311 nan 8.310 nan 0.000 0.466 44 M N 1.158 120.701 119.600 -0.095 0.000 2.086 44 M HA -0.049 4.431 4.480 0.001 0.000 0.261 44 M C 1.919 178.167 176.300 -0.086 0.000 1.067 44 M CA 1.605 56.839 55.300 -0.110 0.000 1.116 44 M CB -0.985 31.571 32.600 -0.073 0.000 1.348 44 M HN 0.405 nan 8.290 nan 0.000 0.407 45 L N -0.404 120.794 121.223 -0.041 0.000 2.042 45 L HA -0.237 4.104 4.340 0.001 0.000 0.210 45 L C 2.353 179.209 176.870 -0.023 0.000 1.076 45 L CA 1.842 56.670 54.840 -0.020 0.000 0.749 45 L CB -1.364 40.694 42.059 -0.001 0.000 0.893 45 L HN 0.321 nan 8.230 nan 0.000 0.432 46 T N -0.867 113.671 114.554 -0.027 0.000 2.652 46 T HA -0.259 4.091 4.350 0.001 0.000 0.267 46 T C 1.901 176.572 174.700 -0.048 0.000 1.039 46 T CA 1.436 63.537 62.100 0.002 0.000 1.153 46 T CB -0.252 68.636 68.868 0.034 0.000 0.863 46 T HN 0.387 nan 8.240 nan 0.000 0.428 47 Q N 0.153 119.808 119.800 -0.242 0.000 2.124 47 Q HA -0.063 4.277 4.340 0.001 0.000 0.202 47 Q C 2.590 178.528 176.000 -0.103 0.000 0.977 47 Q CA 1.089 56.664 55.803 -0.379 0.000 0.850 47 Q CB -0.349 28.058 28.738 -0.553 0.000 0.901 47 Q HN 0.378 nan 8.270 nan 0.000 0.429 48 V N 0.374 120.254 119.914 -0.055 0.000 2.453 48 V HA -0.202 3.919 4.120 0.001 0.000 0.247 48 V C 2.139 178.283 176.094 0.083 0.000 1.048 48 V CA 1.941 64.250 62.300 0.016 0.000 1.049 48 V CB -0.634 31.189 31.823 0.001 0.000 0.672 48 V HN 0.392 nan 8.190 nan 0.000 0.457 49 T N 0.010 114.604 114.554 0.067 0.000 2.701 49 T HA -0.148 4.202 4.350 0.001 0.000 0.263 49 T C 1.984 176.827 174.700 0.238 0.000 1.040 49 T CA 1.679 63.852 62.100 0.122 0.000 1.147 49 T CB -0.207 68.708 68.868 0.078 0.000 0.865 49 T HN 0.254 nan 8.240 nan 0.000 0.426 50 V N 2.264 122.307 119.914 0.215 0.000 2.343 50 V HA -0.187 3.934 4.120 0.001 0.000 0.247 50 V C 3.025 179.264 176.094 0.243 0.000 1.051 50 V CA 2.217 64.671 62.300 0.258 0.000 1.036 50 V CB -1.253 30.800 31.823 0.382 0.000 0.654 50 V HN 0.755 nan 8.190 nan 0.000 0.451 51 T N -1.788 112.908 114.554 0.237 0.000 2.904 51 T HA -0.214 4.136 4.350 0.001 0.000 0.267 51 T C 1.815 176.629 174.700 0.190 0.000 1.059 51 T CA 1.507 63.728 62.100 0.202 0.000 1.137 51 T CB -0.639 68.340 68.868 0.183 0.000 0.879 51 T HN 0.401 nan 8.240 nan 0.000 0.467 52 F N 3.029 123.011 119.950 0.053 0.000 2.091 52 F HA 0.007 4.535 4.527 0.001 0.000 0.299 52 F C 2.569 178.387 175.800 0.031 0.000 1.103 52 F CA 1.194 59.210 58.000 0.026 0.000 1.228 52 F CB -0.920 38.092 39.000 0.020 0.000 0.984 52 F HN 0.271 nan 8.300 nan 0.000 0.477 53 A N 0.806 123.667 122.820 0.069 0.000 1.851 53 A HA -0.212 4.109 4.320 0.001 0.000 0.216 53 A C 2.154 179.683 177.584 -0.091 0.000 1.195 53 A CA 1.827 53.823 52.037 -0.068 0.000 0.622 53 A CB -1.527 17.530 19.000 0.094 0.000 0.831 53 A HN 0.551 nan 8.150 nan 0.000 0.444 54 L N -0.015 121.214 121.223 0.010 0.000 2.064 54 L HA -0.197 4.144 4.340 0.001 0.000 0.216 54 L C 2.354 179.208 176.870 -0.026 0.000 1.077 54 L CA 2.281 57.133 54.840 0.019 0.000 0.766 54 L CB -0.480 41.626 42.059 0.079 0.000 0.890 54 L HN 0.172 nan 8.230 nan 0.000 0.435 55 V N -1.535 118.338 119.914 -0.067 0.000 2.379 55 V HA -0.302 3.819 4.120 0.001 0.000 0.245 55 V C 2.583 178.602 176.094 -0.126 0.000 1.044 55 V CA 1.704 63.955 62.300 -0.083 0.000 1.036 55 V CB -0.604 31.154 31.823 -0.109 0.000 0.664 55 V HN 0.660 nan 8.190 nan 0.000 0.453 56 C N -0.011 119.127 119.300 -0.270 0.000 2.413 56 C HA -0.156 4.305 4.460 0.001 0.000 0.277 56 C C 2.561 177.507 174.990 -0.073 0.000 1.265 56 C CA 0.652 59.531 59.018 -0.232 0.000 1.752 56 C CB -0.982 26.537 27.740 -0.368 0.000 1.998 56 C HN 0.472 nan 8.230 nan 0.000 0.489 57 I N 0.426 120.953 120.570 -0.072 0.000 2.400 57 I HA -0.067 4.103 4.170 0.001 0.000 0.248 57 I C 2.352 178.429 176.117 -0.067 0.000 1.109 57 I CA 1.498 62.772 61.300 -0.043 0.000 1.425 57 I CB -1.213 36.772 38.000 -0.025 0.000 1.094 57 I HN 0.339 nan 8.210 nan 0.000 0.425 58 L N -0.541 120.627 121.223 -0.091 0.000 2.131 58 L HA -0.223 4.117 4.340 0.001 0.000 0.210 58 L C 2.608 179.253 176.870 -0.376 0.000 1.092 58 L CA 1.346 56.010 54.840 -0.293 0.000 0.759 58 L CB -0.586 41.340 42.059 -0.222 0.000 0.903 58 L HN 0.447 nan 8.230 nan 0.000 0.435 59 W N 0.536 121.662 121.300 -0.290 0.000 2.354 59 W HA -0.204 4.456 4.660 0.001 0.000 0.315 59 W C 2.261 178.701 176.519 -0.132 0.000 1.206 59 W CA 1.669 58.904 57.345 -0.183 0.000 1.290 59 W CB -0.030 29.366 29.460 -0.107 0.000 1.152 59 W HN -0.078 nan 8.180 nan 0.000 0.489 60 V N 0.626 120.524 119.914 -0.027 0.000 2.295 60 V HA -0.319 3.802 4.120 0.001 0.000 0.246 60 V C 2.233 178.257 176.094 -0.116 0.000 1.049 60 V CA 1.829 64.069 62.300 -0.100 0.000 1.024 60 V CB -1.120 30.668 31.823 -0.058 0.000 0.648 60 V HN 0.040 nan 8.190 nan 0.000 0.447 61 V N 0.046 119.893 119.914 -0.112 0.000 2.287 61 V HA -0.245 3.876 4.120 0.001 0.000 0.248 61 V C 1.820 177.949 176.094 0.058 0.000 1.053 61 V CA 2.881 65.174 62.300 -0.011 0.000 1.027 61 V CB -0.659 31.204 31.823 0.067 0.000 0.646 61 V HN 0.918 nan 8.190 nan 0.000 0.447 62 Y N -2.823 117.452 120.300 -0.042 0.000 2.831 62 Y HA 0.528 5.079 4.550 0.002 0.000 0.296 62 Y C 1.629 177.448 175.900 -0.135 0.000 0.958 62 Y CA 0.202 58.261 58.100 -0.069 0.000 1.179 62 Y CB -0.684 37.736 38.460 -0.068 0.000 1.436 62 Y HN -0.048 nan 8.280 nan 0.000 0.588 63 G N 1.273 109.715 108.800 -0.597 0.000 2.453 63 G HA2 -0.333 3.628 3.960 0.001 0.000 0.215 63 G HA3 -0.333 3.628 3.960 0.001 0.000 0.215 63 G C 1.371 175.808 174.900 -0.773 0.000 1.201 63 G CA 1.557 46.356 45.100 -0.502 0.000 0.784 63 G HN 0.483 nan 8.290 nan 0.000 0.545 64 Y N 1.615 121.124 120.300 -1.319 0.000 2.128 64 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 64 Y C 3.183 179.003 175.900 -0.133 0.000 1.154 64 Y CA 1.949 59.420 58.100 -1.048 0.000 1.149 64 Y CB -0.576 37.404 38.460 -0.800 0.000 0.976 64 Y HN 0.247 nan 8.280 nan 0.000 0.505 65 S N -0.240 115.472 115.700 0.019 0.000 2.370 65 S HA -0.189 4.282 4.470 0.001 0.000 0.226 65 S C 2.027 176.548 174.600 -0.131 0.000 1.033 65 S CA 1.711 59.984 58.200 0.123 0.000 1.011 65 S CB -0.590 62.707 63.200 0.162 0.000 0.852 65 S HN 0.543 nan 8.310 nan 0.000 0.457 66 L N 0.328 121.467 121.223 -0.141 0.000 2.313 66 L HA 0.092 4.432 4.340 0.001 0.000 0.214 66 L C 2.662 179.406 176.870 -0.209 0.000 1.119 66 L CA 0.863 55.592 54.840 -0.185 0.000 0.809 66 L CB -0.441 41.545 42.059 -0.121 0.000 0.933 66 L HN 0.429 nan 8.230 nan 0.000 0.449 67 A N -0.627 122.068 122.820 -0.208 0.000 1.887 67 A HA -0.029 4.292 4.320 0.001 0.000 0.212 67 A C 1.728 179.079 177.584 -0.389 0.000 1.198 67 A CA 0.946 52.821 52.037 -0.269 0.000 0.628 67 A CB -0.334 18.538 19.000 -0.212 0.000 0.847 67 A HN 0.293 nan 8.150 nan 0.000 0.449 68 F N 0.326 120.231 119.950 -0.076 0.000 2.622 68 F HA 0.284 4.812 4.527 0.002 0.000 0.288 68 F C 1.835 177.650 175.800 0.025 0.000 1.120 68 F CA -0.224 57.757 58.000 -0.032 0.000 1.423 68 F CB -0.551 38.298 39.000 -0.252 0.000 1.127 68 F HN 0.215 nan 8.300 nan 0.000 0.588 69 G N 0.791 109.527 108.800 -0.107 0.000 2.647 69 G HA2 -0.016 3.945 3.960 0.001 0.000 0.234 69 G HA3 -0.016 3.945 3.960 0.001 0.000 0.234 69 G C -0.254 174.524 174.900 -0.202 0.000 1.252 69 G CA -0.381 44.368 45.100 -0.584 0.000 0.846 69 G HN 0.154 nan 8.290 nan 0.000 0.589 70 E N 0.492 120.551 120.200 -0.234 0.000 2.289 70 E HA 0.452 4.803 4.350 0.001 0.000 0.278 70 E C 0.599 177.167 176.600 -0.052 0.000 1.032 70 E CA 0.257 56.626 56.400 -0.050 0.000 0.854 70 E CB 0.951 30.622 29.700 -0.049 0.000 1.046 70 E HN 0.498 nan 8.360 nan 0.000 0.409 71 G N 4.197 113.017 108.800 0.034 0.000 3.226 71 G HA2 0.079 4.040 3.960 0.001 0.000 0.175 71 G HA3 0.079 4.040 3.960 0.001 0.000 0.175 71 G C -0.245 174.668 174.900 0.023 0.000 1.509 71 G CA 0.253 45.357 45.100 0.007 0.000 1.046 71 G HN 0.640 nan 8.290 nan 0.000 0.768 72 N N -1.091 117.612 118.700 0.004 0.000 3.427 72 N HA 0.293 5.034 4.740 0.001 0.000 0.364 72 N C 0.479 175.976 175.510 -0.022 0.000 1.538 72 N CA -0.557 52.476 53.050 -0.029 0.000 0.662 72 N CB 0.295 38.727 38.487 -0.093 0.000 1.881 72 N HN 0.084 nan 8.380 nan 0.000 0.634 73 N N -1.234 117.367 118.700 -0.164 0.000 2.396 73 N HA 0.104 4.845 4.740 0.001 0.000 0.180 73 N C 0.214 175.326 175.510 -0.664 0.000 1.028 73 N CA 0.955 53.707 53.050 -0.496 0.000 0.893 73 N CB -0.173 37.830 38.487 -0.806 0.000 0.967 73 N HN 0.429 nan 8.380 nan 0.000 0.440 74 F N -0.815 119.085 119.950 -0.085 0.000 2.557 74 F HA 0.240 4.769 4.527 0.003 0.000 0.278 74 F C 0.387 176.104 175.800 -0.138 0.000 1.051 74 F CA -0.447 57.472 58.000 -0.136 0.000 1.357 74 F CB 0.112 39.037 39.000 -0.124 0.000 1.104 74 F HN -0.186 nan 8.300 nan 0.000 0.654 75 F N -1.012 118.871 119.950 -0.112 0.000 2.643 75 F HA 0.858 5.385 4.527 0.000 0.000 0.314 75 F C 0.429 175.645 175.800 -0.973 0.000 1.096 75 F CA -2.184 55.466 58.000 -0.584 0.000 0.953 75 F CB 0.247 39.102 39.000 -0.243 0.000 1.345 75 F HN -0.023 nan 8.300 nan 0.000 0.468 76 G N 0.971 109.362 108.800 -0.682 0.000 3.078 76 G HA2 0.358 4.319 3.960 0.001 0.000 0.163 76 G HA3 0.358 4.319 3.960 0.001 0.000 0.163 76 G C -0.813 173.997 174.900 -0.150 0.000 1.894 76 G CA 0.421 45.283 45.100 -0.396 0.000 0.951 76 G HN 1.106 nan 8.290 nan 0.000 0.446 77 N N -2.109 116.446 118.700 -0.242 0.000 3.039 77 N HA 0.387 5.128 4.740 0.001 0.000 0.257 77 N C -0.299 175.070 175.510 -0.235 0.000 1.497 77 N CA -0.646 52.267 53.050 -0.228 0.000 0.861 77 N CB 0.965 39.309 38.487 -0.238 0.000 1.479 77 N HN 0.529 nan 8.380 nan 0.000 0.547 78 I N -3.804 116.653 120.570 -0.188 0.000 3.637 78 I HA 0.462 4.633 4.170 0.001 0.000 0.342 78 I C -0.457 175.612 176.117 -0.079 0.000 1.545 78 I CA -0.572 60.656 61.300 -0.121 0.000 1.126 78 I CB -0.578 37.350 38.000 -0.120 0.000 1.375 78 I HN 0.408 nan 8.210 nan 0.000 0.467 79 N N 0.432 119.040 118.700 -0.152 0.000 2.336 79 N HA 0.074 4.815 4.740 0.001 0.000 0.189 79 N C -0.010 175.559 175.510 0.099 0.000 1.113 79 N CA 0.084 53.073 53.050 -0.100 0.000 0.858 79 N CB 0.243 38.601 38.487 -0.214 0.000 0.970 79 N HN 0.489 nan 8.380 nan 0.000 0.471 80 W N 1.184 122.501 121.300 0.028 0.000 2.357 80 W HA 0.387 5.047 4.660 0.002 0.000 0.386 80 W C -0.590 175.942 176.519 0.023 0.000 0.889 80 W CA -1.162 56.211 57.345 0.047 0.000 2.425 80 W CB -0.909 28.615 29.460 0.107 0.000 1.244 80 W HN -0.083 nan 8.180 nan 0.000 0.646 81 L N 2.181 123.523 121.223 0.198 0.000 2.628 81 L HA -0.108 4.233 4.340 0.001 0.000 0.274 81 L C 1.280 178.211 176.870 0.102 0.000 1.209 81 L CA 0.978 55.897 54.840 0.131 0.000 0.930 81 L CB 0.147 42.261 42.059 0.093 0.000 1.183 81 L HN 0.017 nan 8.230 nan 0.000 0.492 82 M N 4.655 124.290 119.600 0.059 0.000 2.682 82 M HA -0.254 4.227 4.480 0.001 0.000 0.196 82 M C 0.664 176.959 176.300 -0.008 0.000 0.542 82 M CA 0.707 56.016 55.300 0.016 0.000 0.593 82 M CB -1.640 30.979 32.600 0.031 0.000 2.183 82 M HN 0.721 nan 8.290 nan 0.000 0.663 83 L N -3.061 118.153 121.223 -0.015 0.000 4.232 83 L HA -0.258 4.083 4.340 0.001 0.000 0.415 83 L C 0.772 177.645 176.870 0.005 0.000 1.168 83 L CA 0.718 55.498 54.840 -0.100 0.000 0.966 83 L CB -1.374 40.488 42.059 -0.328 0.000 2.052 83 L HN 0.390 nan 8.230 nan 0.000 0.887 84 K N 1.524 121.986 120.400 0.102 0.000 2.518 84 K HA 0.087 4.408 4.320 0.001 0.000 0.276 84 K C 1.266 177.981 176.600 0.192 0.000 0.974 84 K CA 1.026 57.393 56.287 0.135 0.000 0.986 84 K CB 0.171 32.758 32.500 0.145 0.000 0.901 84 K HN 0.298 nan 8.250 nan 0.000 0.497 85 N N 0.653 119.443 118.700 0.149 0.000 2.900 85 N HA -0.244 4.496 4.740 0.001 0.000 0.240 85 N C -0.769 174.815 175.510 0.123 0.000 0.953 85 N CA 1.175 54.330 53.050 0.175 0.000 0.950 85 N CB -1.359 37.298 38.487 0.284 0.000 1.102 85 N HN 0.520 nan 8.380 nan 0.000 0.593 86 I N 1.815 122.387 120.570 0.003 0.000 2.287 86 I HA 0.080 4.251 4.170 0.001 0.000 0.290 86 I C 0.661 176.807 176.117 0.049 0.000 1.069 86 I CA -0.428 60.824 61.300 -0.079 0.000 1.237 86 I CB 0.608 38.453 38.000 -0.259 0.000 1.418 86 I HN -0.134 nan 8.210 nan 0.000 0.481 87 E N 3.987 124.205 120.200 0.031 0.000 2.437 87 E HA -0.066 4.285 4.350 0.001 0.000 0.263 87 E C 0.858 177.419 176.600 -0.064 0.000 1.030 87 E CA -0.183 56.216 56.400 -0.002 0.000 0.934 87 E CB 1.318 31.021 29.700 0.006 0.000 0.943 87 E HN 0.427 nan 8.360 nan 0.000 0.444 88 L N 3.262 124.371 121.223 -0.190 0.000 2.079 88 L HA -0.173 4.168 4.340 0.001 0.000 0.210 88 L C 1.994 178.644 176.870 -0.367 0.000 1.081 88 L CA 2.403 56.982 54.840 -0.435 0.000 0.752 88 L CB -1.025 40.766 42.059 -0.448 0.000 0.896 88 L HN 0.674 nan 8.230 nan 0.000 0.433 89 T N -2.700 111.745 114.554 -0.182 0.000 3.129 89 T HA 0.387 4.738 4.350 0.001 0.000 0.251 89 T C 0.871 175.713 174.700 0.235 0.000 1.117 89 T CA 0.142 62.245 62.100 0.004 0.000 1.034 89 T CB -0.678 68.220 68.868 0.050 0.000 0.968 89 T HN 0.385 nan 8.240 nan 0.000 0.526 90 A N 1.361 124.256 122.820 0.125 0.000 2.511 90 A HA 0.521 4.842 4.320 0.001 0.000 0.242 90 A C 0.156 177.834 177.584 0.157 0.000 1.069 90 A CA -0.304 51.798 52.037 0.108 0.000 0.763 90 A CB 0.104 19.136 19.000 0.054 0.000 1.001 90 A HN 0.371 nan 8.150 nan 0.000 0.498 91 V N 3.370 123.320 119.914 0.061 0.000 2.513 91 V HA 0.585 4.705 4.120 0.001 0.000 0.299 91 V C -0.064 176.000 176.094 -0.050 0.000 1.035 91 V CA -0.331 61.947 62.300 -0.037 0.000 0.889 91 V CB 1.550 33.298 31.823 -0.125 0.000 0.988 91 V HN 0.979 nan 8.190 nan 0.000 0.440 92 M N 4.777 124.324 119.600 -0.088 0.000 2.035 92 M HA 0.695 5.176 4.480 0.001 0.000 0.286 92 M C 0.286 176.493 176.300 -0.155 0.000 0.907 92 M CA 1.017 56.239 55.300 -0.130 0.000 0.935 92 M CB 0.827 33.300 32.600 -0.212 0.000 1.557 92 M HN 1.057 nan 8.290 nan 0.000 0.426 93 G N 2.855 111.582 108.800 -0.121 0.000 2.728 93 G HA2 -0.278 3.682 3.960 0.001 0.000 0.269 93 G HA3 -0.278 3.682 3.960 0.001 0.000 0.269 93 G C 0.263 175.100 174.900 -0.104 0.000 1.334 93 G CA 0.478 45.513 45.100 -0.109 0.000 0.974 93 G HN 1.579 nan 8.290 nan 0.000 0.550 94 S N 0.256 115.888 115.700 -0.114 0.000 2.937 94 S HA 0.626 5.096 4.470 0.001 0.000 0.252 94 S C 0.434 174.932 174.600 -0.169 0.000 1.022 94 S CA 0.548 58.671 58.200 -0.127 0.000 1.079 94 S CB -0.363 62.780 63.200 -0.094 0.000 1.035 94 S HN 1.741 nan 8.310 nan 0.000 0.594 95 I N -2.268 118.199 120.570 -0.172 0.000 2.892 95 I HA 0.718 4.889 4.170 0.001 0.000 0.306 95 I C -0.906 175.096 176.117 -0.192 0.000 1.078 95 I CA -1.736 59.456 61.300 -0.179 0.000 1.032 95 I CB 0.856 38.810 38.000 -0.077 0.000 1.229 95 I HN -0.114 nan 8.210 nan 0.000 0.435 96 Y N 1.841 122.127 120.300 -0.022 0.000 2.597 96 Y HA 0.010 4.560 4.550 0.001 0.000 0.336 96 Y C 1.662 177.567 175.900 0.007 0.000 1.216 96 Y CA 0.450 58.540 58.100 -0.017 0.000 1.463 96 Y CB 0.546 38.992 38.460 -0.024 0.000 1.303 96 Y HN 0.691 nan 8.280 nan 0.000 0.576 97 Q N 1.637 121.556 119.800 0.198 0.000 2.124 97 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 97 Q C 1.296 177.342 176.000 0.077 0.000 0.977 97 Q CA 1.622 57.478 55.803 0.088 0.000 0.850 97 Q CB -0.244 28.492 28.738 -0.003 0.000 0.901 97 Q HN 0.832 nan 8.270 nan 0.000 0.429 98 Y N 0.604 120.851 120.300 -0.089 0.000 2.181 98 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 98 Y C 1.920 177.773 175.900 -0.078 0.000 1.179 98 Y CA 1.428 59.449 58.100 -0.131 0.000 1.179 98 Y CB -0.192 38.202 38.460 -0.111 0.000 0.973 98 Y HN 0.216 nan 8.280 nan 0.000 0.519 99 I N -1.504 119.160 120.570 0.156 0.000 2.353 99 I HA -0.313 3.858 4.170 0.001 0.000 0.248 99 I C 2.572 178.732 176.117 0.072 0.000 1.119 99 I CA 1.394 62.754 61.300 0.100 0.000 1.417 99 I CB -0.568 37.494 38.000 0.103 0.000 1.078 99 I HN 0.337 nan 8.210 nan 0.000 0.421 100 H N 1.146 120.186 119.070 -0.050 0.000 2.353 100 H HA -0.138 4.418 4.556 0.001 0.000 0.300 100 H C 2.333 177.601 175.328 -0.100 0.000 1.090 100 H CA 1.869 57.870 56.048 -0.078 0.000 1.327 100 H CB 0.248 29.952 29.762 -0.095 0.000 1.383 100 H HN 0.103 nan 8.280 nan 0.000 0.508 101 V N 1.264 120.987 119.914 -0.318 0.000 2.324 101 V HA -0.306 3.815 4.120 0.001 0.000 0.250 101 V C 2.976 179.041 176.094 -0.049 0.000 1.060 101 V CA 1.837 63.838 62.300 -0.499 0.000 1.042 101 V CB -1.099 30.273 31.823 -0.751 0.000 0.650 101 V HN 0.597 nan 8.190 nan 0.000 0.450 102 A N -1.036 121.747 122.820 -0.061 0.000 1.898 102 A HA -0.130 4.190 4.320 0.001 0.000 0.214 102 A C 2.074 179.641 177.584 -0.027 0.000 1.183 102 A CA 1.449 53.476 52.037 -0.016 0.000 0.622 102 A CB -0.637 18.372 19.000 0.015 0.000 0.824 102 A HN 0.464 nan 8.150 nan 0.000 0.444 103 F N 0.823 120.681 119.950 -0.154 0.000 2.069 103 F HA -0.239 4.289 4.527 0.001 0.000 0.298 103 F C 2.540 178.199 175.800 -0.235 0.000 1.113 103 F CA 2.290 60.186 58.000 -0.173 0.000 1.214 103 F CB -0.211 38.650 39.000 -0.232 0.000 0.978 103 F HN 0.189 nan 8.300 nan 0.000 0.474 104 Q N 0.258 119.849 119.800 -0.348 0.000 2.084 104 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 104 Q C 2.596 178.224 176.000 -0.620 0.000 0.978 104 Q CA 1.403 56.952 55.803 -0.425 0.000 0.844 104 Q CB -1.442 27.194 28.738 -0.170 0.000 0.898 104 Q HN 0.566 nan 8.270 nan 0.000 0.426 105 G N 1.149 109.505 108.800 -0.741 0.000 2.476 105 G HA2 -0.314 3.647 3.960 0.001 0.000 0.218 105 G HA3 -0.314 3.647 3.960 0.001 0.000 0.218 105 G C 1.637 176.129 174.900 -0.680 0.000 1.164 105 G CA 1.779 46.079 45.100 -1.334 0.000 0.768 105 G HN 0.532 nan 8.290 nan 0.000 0.560 106 S N 0.215 115.701 115.700 -0.357 0.000 2.419 106 S HA -0.079 4.392 4.470 0.001 0.000 0.235 106 S C 2.073 176.572 174.600 -0.168 0.000 1.019 106 S CA 1.282 59.367 58.200 -0.193 0.000 0.982 106 S CB -0.490 62.639 63.200 -0.119 0.000 0.789 106 S HN 0.180 nan 8.310 nan 0.000 0.490 107 F N 2.526 122.208 119.950 -0.447 0.000 2.146 107 F HA 0.218 4.746 4.527 0.001 0.000 0.298 107 F C 2.899 178.516 175.800 -0.306 0.000 1.096 107 F CA 0.207 58.051 58.000 -0.261 0.000 1.275 107 F CB -1.228 37.685 39.000 -0.145 0.000 1.008 107 F HN 0.303 nan 8.300 nan 0.000 0.480 108 A N -0.712 121.838 122.820 -0.451 0.000 1.917 108 A HA -0.242 4.078 4.320 0.001 0.000 0.219 108 A C 2.395 179.715 177.584 -0.441 0.000 1.182 108 A CA 2.027 53.526 52.037 -0.896 0.000 0.633 108 A CB -1.532 16.901 19.000 -0.944 0.000 0.819 108 A HN 0.481 nan 8.150 nan 0.000 0.448 109 C N -1.350 117.778 119.300 -0.287 0.000 2.436 109 C HA -0.111 4.350 4.460 0.001 0.000 0.277 109 C C 2.489 177.479 174.990 0.001 0.000 1.241 109 C CA 1.126 60.103 59.018 -0.069 0.000 1.721 109 C CB -1.325 26.454 27.740 0.065 0.000 2.043 109 C HN 0.700 nan 8.230 nan 0.000 0.472 110 I N 1.276 121.810 120.570 -0.060 0.000 2.226 110 I HA -0.171 3.999 4.170 0.001 0.000 0.245 110 I C 2.386 178.491 176.117 -0.019 0.000 1.100 110 I CA 1.950 63.204 61.300 -0.077 0.000 1.374 110 I CB -0.836 37.035 38.000 -0.216 0.000 1.057 110 I HN 0.318 nan 8.210 nan 0.000 0.413 111 T N 0.051 114.604 114.554 -0.002 0.000 2.635 111 T HA -0.198 4.152 4.350 0.001 0.000 0.267 111 T C 2.039 176.834 174.700 0.158 0.000 1.040 111 T CA 2.101 64.278 62.100 0.129 0.000 1.156 111 T CB -0.703 68.287 68.868 0.205 0.000 0.863 111 T HN 0.229 nan 8.240 nan 0.000 0.430 112 V N 1.445 121.428 119.914 0.115 0.000 2.287 112 V HA -0.142 3.979 4.120 0.001 0.000 0.248 112 V C 2.902 179.070 176.094 0.123 0.000 1.053 112 V CA 1.994 64.375 62.300 0.135 0.000 1.027 112 V CB -1.490 30.408 31.823 0.125 0.000 0.646 112 V HN 0.639 nan 8.190 nan 0.000 0.447 113 G N 0.111 108.978 108.800 0.113 0.000 2.505 113 G HA2 -0.276 3.685 3.960 0.001 0.000 0.220 113 G HA3 -0.276 3.685 3.960 0.001 0.000 0.220 113 G C 1.539 176.543 174.900 0.173 0.000 1.145 113 G CA 1.325 46.494 45.100 0.115 0.000 0.761 113 G HN 0.495 nan 8.290 nan 0.000 0.571 114 L N -0.123 121.218 121.223 0.197 0.000 2.079 114 L HA -0.071 4.270 4.340 0.001 0.000 0.210 114 L C 2.845 179.950 176.870 0.393 0.000 1.081 114 L CA 0.893 55.928 54.840 0.324 0.000 0.752 114 L CB -0.428 41.811 42.059 0.299 0.000 0.896 114 L HN 0.253 nan 8.230 nan 0.000 0.433 115 I N -1.238 119.491 120.570 0.266 0.000 2.339 115 I HA -0.159 4.012 4.170 0.001 0.000 0.245 115 I C 2.390 178.556 176.117 0.081 0.000 1.096 115 I CA 0.593 62.026 61.300 0.223 0.000 1.408 115 I CB -0.215 37.788 38.000 0.006 0.000 1.092 115 I HN -0.054 nan 8.210 nan 0.000 0.423 116 V N 1.302 121.233 119.914 0.028 0.000 2.515 116 V HA -0.144 3.977 4.120 0.001 0.000 0.250 116 V C 2.561 178.544 176.094 -0.184 0.000 1.058 116 V CA 2.006 64.279 62.300 -0.045 0.000 1.064 116 V CB -1.257 30.572 31.823 0.010 0.000 0.675 116 V HN 0.569 nan 8.190 nan 0.000 0.461 117 G N -0.373 108.249 108.800 -0.296 0.000 2.408 117 G HA2 -0.141 3.819 3.960 0.001 0.000 0.217 117 G HA3 -0.141 3.819 3.960 0.001 0.000 0.217 117 G C 1.683 175.877 174.900 -1.177 0.000 1.150 117 G CA 0.976 45.684 45.100 -0.654 0.000 0.776 117 G HN 0.594 nan 8.290 nan 0.000 0.542 118 A N 0.069 122.212 122.820 -1.129 0.000 1.935 118 A HA 0.351 4.672 4.320 0.001 0.000 0.214 118 A C 2.183 179.622 177.584 -0.242 0.000 1.178 118 A CA 0.608 52.234 52.037 -0.685 0.000 0.640 118 A CB -0.126 18.702 19.000 -0.287 0.000 0.825 118 A HN 0.318 nan 8.150 nan 0.000 0.447 119 L N -0.972 120.155 121.223 -0.160 0.000 2.585 119 L HA 0.141 4.481 4.340 0.001 0.000 0.226 119 L C 2.667 179.457 176.870 -0.133 0.000 1.113 119 L CA 0.445 55.221 54.840 -0.108 0.000 0.876 119 L CB -0.191 41.807 42.059 -0.102 0.000 1.072 119 L HN 0.399 nan 8.230 nan 0.000 0.468 120 A N 0.628 123.347 122.820 -0.170 0.000 1.883 120 A HA -0.257 4.064 4.320 0.001 0.000 0.217 120 A C 2.050 179.553 177.584 -0.134 0.000 1.186 120 A CA 1.781 53.716 52.037 -0.170 0.000 0.624 120 A CB -0.365 18.519 19.000 -0.193 0.000 0.822 120 A HN 0.420 nan 8.150 nan 0.000 0.444 121 E N -0.799 119.331 120.200 -0.116 0.000 2.072 121 E HA -0.288 4.063 4.350 0.001 0.000 0.218 121 E C 1.917 178.474 176.600 -0.072 0.000 1.051 121 E CA 2.127 58.477 56.400 -0.083 0.000 0.880 121 E CB -0.144 29.515 29.700 -0.068 0.000 0.783 121 E HN 0.606 nan 8.360 nan 0.000 0.473 122 R N -0.775 119.680 120.500 -0.075 0.000 2.334 122 R HA 0.261 4.602 4.340 0.001 0.000 0.216 122 R C -0.221 176.038 176.300 -0.069 0.000 0.905 122 R CA -0.076 55.983 56.100 -0.068 0.000 1.064 122 R CB 0.466 30.722 30.300 -0.074 0.000 1.046 122 R HN 0.061 nan 8.270 nan 0.000 0.508 123 I N 1.099 121.628 120.570 -0.069 0.000 2.404 123 I HA 0.193 4.363 4.170 0.001 0.000 0.293 123 I C 0.060 176.173 176.117 -0.006 0.000 0.992 123 I CA -1.464 59.809 61.300 -0.044 0.000 1.149 123 I CB 1.245 39.214 38.000 -0.052 0.000 1.315 123 I HN 0.001 nan 8.210 nan 0.000 0.446 124 R N 6.342 126.860 120.500 0.029 0.000 2.538 124 R HA -0.036 4.304 4.340 0.001 0.000 0.282 124 R C 0.753 177.150 176.300 0.162 0.000 1.009 124 R CA 0.451 56.600 56.100 0.082 0.000 1.063 124 R CB 0.167 30.509 30.300 0.070 0.000 0.945 124 R HN 0.743 nan 8.270 nan 0.000 0.414 125 F N 3.165 123.126 119.950 0.018 0.000 2.015 125 F HA -0.360 4.167 4.527 0.001 0.000 0.297 125 F C 2.438 178.265 175.800 0.045 0.000 1.141 125 F CA 2.034 60.051 58.000 0.029 0.000 1.192 125 F CB -0.153 38.863 39.000 0.026 0.000 0.957 125 F HN 0.821 nan 8.300 nan 0.000 0.491 126 S N 0.706 116.570 115.700 0.273 0.000 2.400 126 S HA -0.243 4.228 4.470 0.001 0.000 0.232 126 S C 2.018 176.710 174.600 0.153 0.000 1.025 126 S CA 0.913 59.182 58.200 0.115 0.000 0.993 126 S CB -1.080 62.135 63.200 0.025 0.000 0.808 126 S HN 0.519 nan 8.310 nan 0.000 0.478 127 A N 1.419 124.334 122.820 0.158 0.000 1.908 127 A HA 0.001 4.321 4.320 0.001 0.000 0.218 127 A C 2.462 180.170 177.584 0.205 0.000 1.181 127 A CA 1.655 53.784 52.037 0.155 0.000 0.627 127 A CB -1.345 17.726 19.000 0.118 0.000 0.818 127 A HN 0.596 nan 8.150 nan 0.000 0.445 128 V N -0.015 120.032 119.914 0.221 0.000 2.332 128 V HA -0.231 3.889 4.120 0.001 0.000 0.248 128 V C 2.427 178.701 176.094 0.299 0.000 1.055 128 V CA 2.231 64.669 62.300 0.231 0.000 1.038 128 V CB -0.440 31.464 31.823 0.135 0.000 0.651 128 V HN 0.586 nan 8.190 nan 0.000 0.450 129 L N -0.782 120.617 121.223 0.292 0.000 2.027 129 L HA -0.158 4.183 4.340 0.001 0.000 0.206 129 L C 2.362 179.340 176.870 0.179 0.000 1.074 129 L CA 1.971 56.950 54.840 0.231 0.000 0.745 129 L CB -0.515 41.650 42.059 0.176 0.000 0.898 129 L HN 0.267 nan 8.230 nan 0.000 0.433 130 I N -0.778 119.889 120.570 0.162 0.000 2.163 130 I HA -0.366 3.804 4.170 0.001 0.000 0.243 130 I C 2.472 178.667 176.117 0.130 0.000 1.085 130 I CA 1.649 63.024 61.300 0.125 0.000 1.347 130 I CB -0.365 37.702 38.000 0.112 0.000 1.044 130 I HN 0.141 nan 8.210 nan 0.000 0.408 131 F N 1.199 121.168 119.950 0.031 0.000 2.065 131 F HA -0.265 4.262 4.527 0.000 0.000 0.298 131 F C 2.416 178.246 175.800 0.051 0.000 1.112 131 F CA 1.902 59.881 58.000 -0.034 0.000 1.212 131 F CB -0.600 38.320 39.000 -0.133 0.000 0.975 131 F HN -0.211 nan 8.300 nan 0.000 0.476 132 V N -0.032 119.940 119.914 0.097 0.000 2.282 132 V HA -0.353 3.768 4.120 0.001 0.000 0.249 132 V C 2.422 178.532 176.094 0.028 0.000 1.057 132 V CA 1.794 64.130 62.300 0.059 0.000 1.032 132 V CB -0.940 30.994 31.823 0.184 0.000 0.645 132 V HN 0.349 nan 8.190 nan 0.000 0.447 133 V N -0.365 119.582 119.914 0.056 0.000 2.220 133 V HA -0.255 3.866 4.120 0.001 0.000 0.246 133 V C 2.407 178.527 176.094 0.043 0.000 1.049 133 V CA 2.216 64.565 62.300 0.081 0.000 1.003 133 V CB -0.546 31.331 31.823 0.090 0.000 0.634 133 V HN 0.404 nan 8.190 nan 0.000 0.444 134 V N -1.294 118.609 119.914 -0.018 0.000 2.282 134 V HA -0.333 3.788 4.120 0.001 0.000 0.249 134 V C 1.955 178.032 176.094 -0.028 0.000 1.057 134 V CA 2.757 65.038 62.300 -0.031 0.000 1.032 134 V CB -0.747 31.045 31.823 -0.051 0.000 0.645 134 V HN 0.813 nan 8.190 nan 0.000 0.447 135 W N -0.236 120.840 121.300 -0.373 0.000 2.539 135 W HA 0.050 4.710 4.660 0.000 0.000 0.281 135 W C 2.092 178.566 176.519 -0.076 0.000 1.220 135 W CA 0.878 58.022 57.345 -0.334 0.000 1.332 135 W CB -0.080 28.886 29.460 -0.824 0.000 1.095 135 W HN 0.181 nan 8.180 nan 0.000 0.571 136 L N 0.635 121.939 121.223 0.136 0.000 2.042 136 L HA -0.190 4.150 4.340 0.001 0.000 0.210 136 L C 2.197 179.116 176.870 0.081 0.000 1.076 136 L CA 2.693 57.603 54.840 0.115 0.000 0.749 136 L CB -1.081 41.081 42.059 0.170 0.000 0.893 136 L HN -0.088 nan 8.230 nan 0.000 0.432 137 T N -0.700 113.915 114.554 0.101 0.000 2.809 137 T HA -0.026 4.325 4.350 0.001 0.000 0.260 137 T C 1.698 176.446 174.700 0.081 0.000 1.039 137 T CA 1.611 63.799 62.100 0.147 0.000 1.141 137 T CB -0.145 68.810 68.868 0.144 0.000 0.869 137 T HN 0.275 nan 8.240 nan 0.000 0.437 138 L N 0.146 121.392 121.223 0.038 0.000 2.585 138 L HA 0.316 4.657 4.340 0.001 0.000 0.226 138 L C 2.193 179.204 176.870 0.236 0.000 1.113 138 L CA 0.246 55.157 54.840 0.118 0.000 0.876 138 L CB 0.127 42.232 42.059 0.076 0.000 1.072 138 L HN 0.206 nan 8.230 nan 0.000 0.468 139 S N -1.502 114.156 115.700 -0.071 0.000 3.608 139 S HA -0.023 4.448 4.470 0.001 0.000 0.234 139 S C 1.666 175.963 174.600 -0.504 0.000 1.077 139 S CA -0.183 57.868 58.200 -0.248 0.000 0.827 139 S CB -0.387 62.334 63.200 -0.798 0.000 0.964 139 S HN 0.291 nan 8.310 nan 0.000 0.547 140 Y N 2.472 122.302 120.300 -0.785 0.000 2.145 140 Y HA 0.015 4.566 4.550 0.001 0.000 0.286 140 Y C 1.934 177.706 175.900 -0.212 0.000 1.145 140 Y CA 2.120 59.911 58.100 -0.514 0.000 1.148 140 Y CB -0.332 37.907 38.460 -0.369 0.000 0.981 140 Y HN 0.331 nan 8.280 nan 0.000 0.507 141 I N 0.111 120.687 120.570 0.010 0.000 2.113 141 I HA -0.240 3.931 4.170 0.001 0.000 0.238 141 I C -0.599 175.437 176.117 -0.135 0.000 1.070 141 I CA 1.303 62.628 61.300 0.043 0.000 1.332 141 I CB -1.593 36.496 38.000 0.148 0.000 1.044 141 I HN 0.188 nan 8.210 nan 0.000 0.402 142 P HA -0.189 nan 4.420 nan 0.000 0.213 142 P C 1.876 178.923 177.300 -0.422 0.000 1.170 142 P CA 1.750 64.737 63.100 -0.188 0.000 0.902 142 P CB -0.038 31.556 31.700 -0.177 0.000 0.789 143 I N -0.539 119.642 120.570 -0.648 0.000 2.118 143 I HA -0.331 3.839 4.170 0.001 0.000 0.241 143 I C 2.432 178.185 176.117 -0.607 0.000 1.070 143 I CA 1.821 62.728 61.300 -0.655 0.000 1.327 143 I CB -1.081 36.536 38.000 -0.639 0.000 1.034 143 I HN -0.085 nan 8.210 nan 0.000 0.405 144 A N 0.183 122.602 122.820 -0.668 0.000 1.884 144 A HA -0.381 3.940 4.320 0.001 0.000 0.219 144 A C 2.218 179.538 177.584 -0.439 0.000 1.197 144 A CA 2.632 54.325 52.037 -0.573 0.000 0.637 144 A CB -1.284 17.472 19.000 -0.406 0.000 0.827 144 A HN 0.591 nan 8.150 nan 0.000 0.450 145 H N -1.106 117.685 119.070 -0.464 0.000 2.387 145 H HA -0.037 4.519 4.556 0.001 0.000 0.299 145 H C 2.012 177.136 175.328 -0.340 0.000 1.099 145 H CA 2.201 58.008 56.048 -0.402 0.000 1.315 145 H CB -0.198 29.393 29.762 -0.286 0.000 1.380 145 H HN 0.468 nan 8.280 nan 0.000 0.513 146 M N -1.100 118.281 119.600 -0.366 0.000 2.132 146 M HA -0.128 4.353 4.480 0.001 0.000 0.263 146 M C 2.029 178.114 176.300 -0.357 0.000 1.065 146 M CA 1.213 56.274 55.300 -0.398 0.000 1.122 146 M CB 0.298 32.647 32.600 -0.419 0.000 1.365 146 M HN 0.193 nan 8.290 nan 0.000 0.411 147 V N -2.140 117.532 119.914 -0.403 0.000 2.426 147 V HA -0.143 3.978 4.120 0.001 0.000 0.242 147 V C 1.458 177.447 176.094 -0.175 0.000 1.036 147 V CA 1.202 63.274 62.300 -0.380 0.000 1.044 147 V CB -0.317 31.109 31.823 -0.662 0.000 0.688 147 V HN 0.565 nan 8.190 nan 0.000 0.462 148 W N 0.054 121.249 121.300 -0.175 0.000 2.975 148 W HA 0.458 5.119 4.660 0.002 0.000 0.316 148 W C 1.932 178.396 176.519 -0.092 0.000 1.131 148 W CA 0.299 57.609 57.345 -0.059 0.000 1.624 148 W CB -0.351 29.162 29.460 0.088 0.000 1.038 148 W HN 0.316 nan 8.180 nan 0.000 0.571 149 G N -0.368 108.312 108.800 -0.201 0.000 3.189 149 G HA2 0.350 4.311 3.960 0.001 0.000 0.225 149 G HA3 0.350 4.311 3.960 0.001 0.000 0.225 149 G C 1.234 175.829 174.900 -0.508 0.000 1.159 149 G CA 0.318 45.163 45.100 -0.425 0.000 0.763 149 G HN 0.283 nan 8.290 nan 0.000 0.549 150 G N -0.893 107.717 108.800 -0.317 0.000 2.136 150 G HA2 -0.016 3.945 3.960 0.001 0.000 0.242 150 G HA3 -0.016 3.945 3.960 0.001 0.000 0.242 150 G C 0.812 175.516 174.900 -0.326 0.000 0.989 150 G CA 0.268 45.224 45.100 -0.241 0.000 0.682 150 G HN 0.943 nan 8.290 nan 0.000 0.522 151 G N -1.000 107.523 108.800 -0.463 0.000 2.494 151 G HA2 0.551 4.512 3.960 0.001 0.000 0.270 151 G HA3 0.551 4.512 3.960 0.001 0.000 0.270 151 G C 1.377 176.080 174.900 -0.327 0.000 1.423 151 G CA 0.160 45.019 45.100 -0.402 0.000 1.055 151 G HN 0.923 nan 8.290 nan 0.000 0.536 152 L N -0.501 120.474 121.223 -0.412 0.000 2.026 152 L HA -0.228 4.113 4.340 0.001 0.000 0.231 152 L C 2.846 179.683 176.870 -0.055 0.000 1.095 152 L CA 2.002 56.678 54.840 -0.273 0.000 0.810 152 L CB -0.643 41.165 42.059 -0.418 0.000 0.909 152 L HN 0.505 nan 8.230 nan 0.000 0.444 153 L N -1.485 119.674 121.223 -0.106 0.000 2.027 153 L HA -0.166 4.175 4.340 0.001 0.000 0.206 153 L C 2.673 179.534 176.870 -0.015 0.000 1.074 153 L CA 1.168 55.990 54.840 -0.029 0.000 0.745 153 L CB -1.056 40.937 42.059 -0.109 0.000 0.898 153 L HN 0.436 nan 8.230 nan 0.000 0.433 154 A N 0.631 123.402 122.820 -0.080 0.000 1.892 154 A HA -0.251 4.070 4.320 0.001 0.000 0.218 154 A C 2.461 180.020 177.584 -0.042 0.000 1.188 154 A CA 2.359 54.370 52.037 -0.042 0.000 0.631 154 A CB -0.780 18.179 19.000 -0.068 0.000 0.822 154 A HN 0.540 nan 8.150 nan 0.000 0.447 155 S N -1.622 114.007 115.700 -0.118 0.000 2.561 155 S HA -0.037 4.433 4.470 0.001 0.000 0.225 155 S C 1.225 175.668 174.600 -0.261 0.000 0.977 155 S CA 0.970 59.061 58.200 -0.182 0.000 0.926 155 S CB -0.644 62.407 63.200 -0.249 0.000 0.769 155 S HN 0.725 nan 8.310 nan 0.000 0.533 156 H N 0.725 119.780 119.070 -0.025 0.000 2.575 156 H HA 0.422 4.979 4.556 0.001 0.000 0.267 156 H C 1.509 176.865 175.328 0.047 0.000 0.966 156 H CA 0.358 56.412 56.048 0.010 0.000 1.165 156 H CB 0.431 30.185 29.762 -0.014 0.000 1.433 156 H HN 0.548 nan 8.280 nan 0.000 0.544 157 G N 0.281 109.150 108.800 0.117 0.000 2.131 157 G HA2 -0.188 3.773 3.960 0.001 0.000 0.201 157 G HA3 -0.188 3.773 3.960 0.001 0.000 0.201 157 G C 0.339 175.298 174.900 0.098 0.000 1.000 157 G CA -0.126 45.039 45.100 0.108 0.000 0.680 157 G HN 0.610 nan 8.290 nan 0.000 0.514 158 A N -0.189 122.679 122.820 0.079 0.000 2.531 158 A HA 0.579 4.899 4.320 0.001 0.000 0.236 158 A C 0.579 178.212 177.584 0.082 0.000 1.062 158 A CA 0.509 52.582 52.037 0.060 0.000 0.760 158 A CB 0.290 19.308 19.000 0.030 0.000 0.995 158 A HN 1.016 nan 8.150 nan 0.000 0.501 159 L N 2.452 123.719 121.223 0.073 0.000 2.298 159 L HA 0.454 4.795 4.340 0.001 0.000 0.284 159 L C -0.688 176.324 176.870 0.235 0.000 1.013 159 L CA -0.358 54.519 54.840 0.061 0.000 0.824 159 L CB 1.541 43.478 42.059 -0.202 0.000 1.221 159 L HN 0.772 nan 8.230 nan 0.000 0.418 160 D N 2.323 122.983 120.400 0.433 0.000 2.319 160 D HA 0.064 4.705 4.640 0.001 0.000 0.237 160 D C 0.070 176.780 176.300 0.682 0.000 1.353 160 D CA -0.445 53.844 54.000 0.481 0.000 0.992 160 D CB 0.867 41.819 40.800 0.252 0.000 1.368 160 D HN 0.303 nan 8.370 nan 0.000 0.564 161 F N 3.292 123.596 119.950 0.590 0.000 2.146 161 F HA 0.121 4.649 4.527 0.001 0.000 0.298 161 F C 1.580 177.622 175.800 0.403 0.000 1.096 161 F CA 1.816 60.048 58.000 0.386 0.000 1.275 161 F CB 0.524 39.555 39.000 0.050 0.000 1.008 161 F HN 0.436 nan 8.300 nan 0.000 0.480 162 A N -1.356 121.834 122.820 0.616 0.000 2.635 162 A HA 0.559 4.879 4.320 0.001 0.000 0.279 162 A C 0.892 178.967 177.584 0.818 0.000 1.122 162 A CA 0.383 52.742 52.037 0.537 0.000 0.965 162 A CB -0.267 19.032 19.000 0.498 0.000 1.221 162 A HN 0.819 nan 8.150 nan 0.000 0.566 163 G N -0.876 108.406 108.800 0.803 0.000 2.245 163 G HA2 0.084 4.044 3.960 0.001 0.000 0.130 163 G HA3 0.084 4.044 3.960 0.001 0.000 0.130 163 G C 1.048 176.141 174.900 0.323 0.000 1.040 163 G CA 0.396 45.779 45.100 0.472 0.000 0.713 163 G HN 1.176 nan 8.290 nan 0.000 0.488 164 G N 0.730 109.777 108.800 0.411 0.000 2.545 164 G HA2 -0.102 3.859 3.960 0.001 0.000 0.217 164 G HA3 -0.102 3.859 3.960 0.001 0.000 0.217 164 G C 2.032 177.093 174.900 0.269 0.000 1.218 164 G CA 2.846 48.206 45.100 0.433 0.000 0.787 164 G HN 1.495 nan 8.290 nan 0.000 0.571 165 T N -0.490 114.140 114.554 0.126 0.000 2.701 165 T HA -0.086 4.265 4.350 0.001 0.000 0.263 165 T C 2.363 177.037 174.700 -0.044 0.000 1.040 165 T CA 1.729 63.851 62.100 0.037 0.000 1.147 165 T CB -0.730 68.107 68.868 -0.052 0.000 0.865 165 T HN 0.048 nan 8.240 nan 0.000 0.426 166 V N 1.448 121.226 119.914 -0.227 0.000 2.343 166 V HA -0.114 4.007 4.120 0.001 0.000 0.247 166 V C 2.805 178.885 176.094 -0.024 0.000 1.051 166 V CA 1.513 63.597 62.300 -0.360 0.000 1.036 166 V CB -0.801 30.502 31.823 -0.866 0.000 0.654 166 V HN 0.411 nan 8.190 nan 0.000 0.451 167 V N -1.033 118.919 119.914 0.063 0.000 2.391 167 V HA -0.034 4.087 4.120 0.001 0.000 0.237 167 V C 2.343 178.501 176.094 0.107 0.000 1.046 167 V CA 1.364 63.733 62.300 0.116 0.000 1.053 167 V CB -0.753 31.043 31.823 -0.045 0.000 0.704 167 V HN 0.489 nan 8.190 nan 0.000 0.475 168 H N -0.134 119.119 119.070 0.304 0.000 2.294 168 H HA 0.114 4.670 4.556 0.001 0.000 0.306 168 H C 2.359 177.848 175.328 0.270 0.000 1.065 168 H CA 1.751 57.965 56.048 0.278 0.000 1.343 168 H CB -0.300 29.628 29.762 0.277 0.000 1.396 168 H HN 0.267 nan 8.280 nan 0.000 0.506 169 I N 1.176 121.965 120.570 0.364 0.000 2.127 169 I HA -0.300 3.870 4.170 0.001 0.000 0.241 169 I C 2.509 178.800 176.117 0.289 0.000 1.075 169 I CA 1.151 62.623 61.300 0.286 0.000 1.334 169 I CB -0.322 37.810 38.000 0.221 0.000 1.040 169 I HN 0.167 nan 8.210 nan 0.000 0.405 170 N N 1.185 120.058 118.700 0.289 0.000 2.058 170 N HA -0.270 4.471 4.740 0.001 0.000 0.200 170 N C 1.737 177.557 175.510 0.517 0.000 1.033 170 N CA 2.505 55.797 53.050 0.403 0.000 0.880 170 N CB -0.326 38.384 38.487 0.371 0.000 1.069 170 N HN 0.413 nan 8.380 nan 0.000 0.461 171 A N -0.155 122.934 122.820 0.450 0.000 1.929 171 A HA 0.213 4.534 4.320 0.001 0.000 0.216 171 A C 2.345 180.032 177.584 0.171 0.000 1.176 171 A CA 1.786 54.000 52.037 0.294 0.000 0.628 171 A CB -0.984 18.208 19.000 0.321 0.000 0.816 171 A HN 0.449 nan 8.150 nan 0.000 0.444 172 A N 0.379 123.374 122.820 0.292 0.000 1.908 172 A HA -0.118 4.203 4.320 0.001 0.000 0.218 172 A C 1.988 179.623 177.584 0.086 0.000 1.181 172 A CA 1.751 53.952 52.037 0.274 0.000 0.627 172 A CB -0.507 18.691 19.000 0.329 0.000 0.818 172 A HN 0.421 nan 8.150 nan 0.000 0.445 173 I N -0.096 120.567 120.570 0.155 0.000 2.202 173 I HA -0.211 3.960 4.170 0.001 0.000 0.242 173 I C 2.988 179.156 176.117 0.085 0.000 1.091 173 I CA 1.378 62.765 61.300 0.145 0.000 1.368 173 I CB -1.834 36.308 38.000 0.236 0.000 1.058 173 I HN 0.354 nan 8.210 nan 0.000 0.410 174 A N 1.353 124.222 122.820 0.081 0.000 1.892 174 A HA -0.179 4.142 4.320 0.001 0.000 0.218 174 A C 2.530 179.978 177.584 -0.226 0.000 1.188 174 A CA 2.284 54.288 52.037 -0.054 0.000 0.631 174 A CB -1.476 17.206 19.000 -0.530 0.000 0.822 174 A HN 0.448 nan 8.150 nan 0.000 0.447 175 G N -0.520 107.893 108.800 -0.644 0.000 2.418 175 G HA2 -0.145 3.816 3.960 0.001 0.000 0.217 175 G HA3 -0.145 3.816 3.960 0.001 0.000 0.217 175 G C 1.562 175.912 174.900 -0.918 0.000 1.158 175 G CA 1.091 45.279 45.100 -1.520 0.000 0.771 175 G HN 0.447 nan 8.290 nan 0.000 0.545 176 L N 0.045 120.998 121.223 -0.450 0.000 2.109 176 L HA -0.005 4.335 4.340 0.001 0.000 0.207 176 L C 2.957 179.823 176.870 -0.007 0.000 1.086 176 L CA 0.157 54.944 54.840 -0.087 0.000 0.760 176 L CB -0.360 41.723 42.059 0.040 0.000 0.910 176 L HN 0.067 nan 8.230 nan 0.000 0.437 177 V N 0.282 120.214 119.914 0.029 0.000 2.343 177 V HA -0.225 3.895 4.120 0.001 0.000 0.247 177 V C 2.591 178.635 176.094 -0.083 0.000 1.051 177 V CA 2.006 64.385 62.300 0.132 0.000 1.036 177 V CB -1.251 30.757 31.823 0.308 0.000 0.654 177 V HN 0.569 nan 8.190 nan 0.000 0.451 178 G N -0.084 108.543 108.800 -0.290 0.000 2.587 178 G HA2 -0.309 3.652 3.960 0.001 0.000 0.217 178 G HA3 -0.309 3.652 3.960 0.001 0.000 0.217 178 G C 1.824 176.488 174.900 -0.394 0.000 1.240 178 G CA 1.403 46.065 45.100 -0.729 0.000 0.794 178 G HN 0.629 nan 8.290 nan 0.000 0.580 179 A N -0.263 122.455 122.820 -0.171 0.000 1.971 179 A HA -0.218 4.103 4.320 0.001 0.000 0.222 179 A C 2.244 179.822 177.584 -0.010 0.000 1.182 179 A CA 2.067 54.086 52.037 -0.031 0.000 0.649 179 A CB -0.820 18.240 19.000 0.100 0.000 0.818 179 A HN 0.604 nan 8.150 nan 0.000 0.458 180 Y N -0.067 120.167 120.300 -0.110 0.000 2.716 180 Y HA 0.246 4.796 4.550 0.000 0.000 0.302 180 Y C 0.356 176.201 175.900 -0.093 0.000 1.160 180 Y CA -0.008 58.051 58.100 -0.069 0.000 1.362 180 Y CB -0.367 38.079 38.460 -0.023 0.000 0.988 180 Y HN 0.251 nan 8.280 nan 0.000 0.546 196 H N -0.185 118.848 119.070 -0.061 0.000 2.497 196 H HA 0.188 4.744 4.556 0.001 0.000 0.282 196 H C -0.231 175.069 175.328 -0.047 0.000 1.003 196 H CA 0.539 56.558 56.048 -0.048 0.000 1.307 196 H CB 0.697 30.435 29.762 -0.039 0.000 1.437 196 H HN 0.218 nan 8.280 nan 0.000 0.544 197 N N 0.920 119.361 118.700 -0.432 0.000 2.707 197 N HA 0.136 4.876 4.740 0.001 0.000 0.249 197 N C 0.610 175.983 175.510 -0.228 0.000 1.299 197 N CA -0.213 52.680 53.050 -0.261 0.000 0.769 197 N CB 0.847 39.177 38.487 -0.263 0.000 1.236 197 N HN 0.195 nan 8.380 nan 0.000 0.524 198 L N 1.731 122.862 121.223 -0.154 0.000 2.046 198 L HA -0.004 4.337 4.340 0.001 0.000 0.208 198 L C -0.702 176.130 176.870 -0.064 0.000 1.077 198 L CA 1.210 55.974 54.840 -0.127 0.000 0.747 198 L CB -1.050 40.949 42.059 -0.100 0.000 0.896 198 L HN 0.325 nan 8.230 nan 0.000 0.432 199 P HA -0.263 nan 4.420 nan 0.000 0.216 199 P C 1.817 179.150 177.300 0.055 0.000 1.154 199 P CA 1.716 64.819 63.100 0.006 0.000 0.865 199 P CB -0.014 31.673 31.700 -0.021 0.000 0.789 200 M N -0.780 118.803 119.600 -0.028 0.000 2.086 200 M HA -0.158 4.323 4.480 0.001 0.000 0.261 200 M C 1.726 177.986 176.300 -0.067 0.000 1.067 200 M CA 1.916 57.188 55.300 -0.046 0.000 1.116 200 M CB -0.594 31.945 32.600 -0.102 0.000 1.348 200 M HN -0.247 nan 8.290 nan 0.000 0.407 201 V N 0.597 120.427 119.914 -0.140 0.000 2.332 201 V HA -0.301 3.819 4.120 0.001 0.000 0.248 201 V C 2.183 178.255 176.094 -0.037 0.000 1.055 201 V CA 2.239 64.415 62.300 -0.207 0.000 1.038 201 V CB -1.178 30.441 31.823 -0.341 0.000 0.651 201 V HN 0.604 nan 8.190 nan 0.000 0.450 202 F N 1.606 121.486 119.950 -0.116 0.000 2.069 202 F HA -0.226 4.301 4.527 0.001 0.000 0.298 202 F C 2.473 178.247 175.800 -0.044 0.000 1.113 202 F CA 2.406 60.362 58.000 -0.074 0.000 1.214 202 F CB -0.837 38.119 39.000 -0.073 0.000 0.978 202 F HN 0.115 nan 8.300 nan 0.000 0.474 203 T N 0.113 114.661 114.554 -0.010 0.000 2.665 203 T HA -0.172 4.179 4.350 0.001 0.000 0.268 203 T C 2.124 176.711 174.700 -0.188 0.000 1.035 203 T CA 1.622 63.652 62.100 -0.117 0.000 1.151 203 T CB -1.292 67.588 68.868 0.019 0.000 0.862 203 T HN 0.496 nan 8.240 nan 0.000 0.438 204 G N 0.971 109.707 108.800 -0.106 0.000 2.404 204 G HA2 -0.203 3.758 3.960 0.001 0.000 0.215 204 G HA3 -0.203 3.758 3.960 0.001 0.000 0.215 204 G C 1.738 176.568 174.900 -0.118 0.000 1.174 204 G CA 1.410 46.458 45.100 -0.087 0.000 0.780 204 G HN 0.456 nan 8.290 nan 0.000 0.537 205 T N 1.918 116.431 114.554 -0.069 0.000 2.665 205 T HA -0.112 4.238 4.350 0.001 0.000 0.268 205 T C 2.797 177.349 174.700 -0.246 0.000 1.035 205 T CA 1.784 63.792 62.100 -0.154 0.000 1.151 205 T CB -0.514 68.259 68.868 -0.158 0.000 0.862 205 T HN 0.404 nan 8.240 nan 0.000 0.438 206 A N 1.184 123.759 122.820 -0.409 0.000 1.859 206 A HA -0.139 4.182 4.320 0.001 0.000 0.217 206 A C 2.283 179.784 177.584 -0.138 0.000 1.198 206 A CA 1.810 53.654 52.037 -0.321 0.000 0.629 206 A CB -1.028 17.674 19.000 -0.498 0.000 0.830 206 A HN 0.456 nan 8.150 nan 0.000 0.446 207 I N -0.347 120.079 120.570 -0.241 0.000 2.208 207 I HA -0.283 3.887 4.170 0.001 0.000 0.245 207 I C 2.469 178.412 176.117 -0.290 0.000 1.097 207 I CA 1.229 62.287 61.300 -0.403 0.000 1.363 207 I CB -0.244 37.358 38.000 -0.663 0.000 1.051 207 I HN 0.336 nan 8.210 nan 0.000 0.413 208 L N -1.114 119.983 121.223 -0.211 0.000 2.012 208 L HA -0.278 4.063 4.340 0.001 0.000 0.210 208 L C 2.577 179.475 176.870 0.047 0.000 1.073 208 L CA 1.657 56.424 54.840 -0.122 0.000 0.748 208 L CB -0.751 41.237 42.059 -0.119 0.000 0.891 208 L HN 0.317 nan 8.230 nan 0.000 0.431 209 Y N 0.340 120.578 120.300 -0.103 0.000 2.109 209 Y HA -0.256 4.295 4.550 0.001 0.000 0.285 209 Y C 2.464 178.350 175.900 -0.022 0.000 1.131 209 Y CA 1.421 59.450 58.100 -0.118 0.000 1.121 209 Y CB -0.187 38.184 38.460 -0.148 0.000 0.987 209 Y HN -0.059 nan 8.280 nan 0.000 0.495 210 I N 1.085 121.686 120.570 0.052 0.000 2.194 210 I HA -0.261 3.909 4.170 0.001 0.000 0.246 210 I C 2.700 178.916 176.117 0.165 0.000 1.093 210 I CA 1.749 63.124 61.300 0.125 0.000 1.355 210 I CB -2.025 36.115 38.000 0.233 0.000 1.046 210 I HN 0.479 nan 8.210 nan 0.000 0.413 211 G N -1.021 107.836 108.800 0.095 0.000 2.443 211 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 211 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 211 G C 1.505 176.448 174.900 0.072 0.000 1.131 211 G CA -0.012 45.164 45.100 0.127 0.000 0.775 211 G HN 0.406 nan 8.290 nan 0.000 0.547 212 W N 0.793 121.928 121.300 -0.275 0.000 2.632 212 W HA 0.068 4.729 4.660 0.001 0.000 0.248 212 W C 1.368 177.666 176.519 -0.367 0.000 1.259 212 W CA 0.148 57.275 57.345 -0.364 0.000 1.288 212 W CB -0.317 28.825 29.460 -0.529 0.000 1.136 212 W HN 0.279 nan 8.180 nan 0.000 0.640 213 F N -0.062 119.916 119.950 0.046 0.000 2.206 213 F HA -0.012 4.516 4.527 0.001 0.000 0.298 213 F C 2.672 178.557 175.800 0.141 0.000 1.090 213 F CA 1.601 59.572 58.000 -0.049 0.000 1.323 213 F CB -1.300 37.490 39.000 -0.350 0.000 1.028 213 F HN -0.189 nan 8.300 nan 0.000 0.492 214 G N -0.416 108.564 108.800 0.300 0.000 2.418 214 G HA2 -0.312 3.649 3.960 0.001 0.000 0.217 214 G HA3 -0.312 3.649 3.960 0.001 0.000 0.217 214 G C 1.643 176.782 174.900 0.398 0.000 1.158 214 G CA 0.722 45.976 45.100 0.257 0.000 0.771 214 G HN 0.338 nan 8.290 nan 0.000 0.545 215 F N 1.772 121.805 119.950 0.137 0.000 2.075 215 F HA -0.049 4.478 4.527 0.001 0.000 0.297 215 F C 2.454 178.466 175.800 0.353 0.000 1.113 215 F CA 1.868 59.899 58.000 0.052 0.000 1.218 215 F CB -0.041 38.681 39.000 -0.462 0.000 0.984 215 F HN 0.054 nan 8.300 nan 0.000 0.472 216 N N 0.430 119.495 118.700 0.609 0.000 2.176 216 N HA 0.001 4.742 4.740 0.001 0.000 0.187 216 N C 1.962 177.787 175.510 0.526 0.000 1.043 216 N CA 1.621 55.024 53.050 0.588 0.000 0.851 216 N CB -1.106 37.683 38.487 0.503 0.000 1.018 216 N HN 0.328 nan 8.380 nan 0.000 0.436 217 A N 0.487 123.589 122.820 0.470 0.000 1.908 217 A HA -0.023 4.298 4.320 0.001 0.000 0.218 217 A C 2.253 180.088 177.584 0.418 0.000 1.181 217 A CA 2.008 54.359 52.037 0.524 0.000 0.627 217 A CB -1.328 18.090 19.000 0.695 0.000 0.818 217 A HN 0.376 nan 8.150 nan 0.000 0.445 218 G N -0.907 108.010 108.800 0.196 0.000 2.470 218 G HA2 -0.107 3.854 3.960 0.001 0.000 0.220 218 G HA3 -0.107 3.854 3.960 0.001 0.000 0.220 218 G C 1.602 176.358 174.900 -0.240 0.000 1.121 218 G CA 1.165 46.123 45.100 -0.237 0.000 0.766 218 G HN 0.483 nan 8.290 nan 0.000 0.553 219 S N 0.683 116.438 115.700 0.092 0.000 2.469 219 S HA 0.048 4.519 4.470 0.001 0.000 0.238 219 S C 2.580 176.958 174.600 -0.371 0.000 0.998 219 S CA 0.811 58.904 58.200 -0.177 0.000 0.957 219 S CB -0.119 62.918 63.200 -0.272 0.000 0.764 219 S HN 0.589 nan 8.310 nan 0.000 0.514 220 A N 0.643 123.466 122.820 0.005 0.000 2.066 220 A HA 0.376 4.697 4.320 0.001 0.000 0.218 220 A C 1.965 179.529 177.584 -0.034 0.000 1.157 220 A CA 1.162 53.265 52.037 0.111 0.000 0.670 220 A CB -0.907 18.282 19.000 0.316 0.000 0.804 220 A HN 0.876 nan 8.150 nan 0.000 0.453 221 G N -2.253 106.478 108.800 -0.114 0.000 2.184 221 G HA2 -0.187 3.773 3.960 0.001 0.000 0.264 221 G HA3 -0.187 3.773 3.960 0.001 0.000 0.264 221 G C 0.445 175.327 174.900 -0.031 0.000 0.975 221 G CA 1.279 46.286 45.100 -0.155 0.000 0.642 221 G HN 1.585 nan 8.290 nan 0.000 0.536 222 T N -1.891 112.712 114.554 0.081 0.000 2.802 222 T HA 0.681 5.032 4.350 0.001 0.000 0.311 222 T C -0.218 174.482 174.700 0.000 0.000 1.405 222 T CA 0.600 62.740 62.100 0.066 0.000 1.016 222 T CB 1.175 70.037 68.868 -0.010 0.000 1.352 222 T HN 1.649 nan 8.240 nan 0.000 0.498 223 A N 3.752 126.428 122.820 -0.240 0.000 3.091 223 A HA 0.469 4.789 4.320 0.001 0.000 0.264 223 A C 0.583 177.978 177.584 -0.315 0.000 1.673 223 A CA -0.467 51.183 52.037 -0.644 0.000 1.362 223 A CB -1.293 17.271 19.000 -0.727 0.000 1.137 223 A HN 0.762 nan 8.150 nan 0.000 0.617 224 N N -0.381 118.216 118.700 -0.172 0.000 2.992 224 N HA 0.152 4.893 4.740 0.001 0.000 0.338 224 N C 0.805 176.272 175.510 -0.072 0.000 1.376 224 N CA -0.076 52.915 53.050 -0.098 0.000 0.778 224 N CB 0.149 38.609 38.487 -0.045 0.000 1.232 224 N HN 0.198 nan 8.380 nan 0.000 0.581 225 E N -0.242 119.935 120.200 -0.039 0.000 2.371 225 E HA -0.018 4.333 4.350 0.001 0.000 0.194 225 E C 1.303 177.900 176.600 -0.005 0.000 1.012 225 E CA 0.484 56.868 56.400 -0.027 0.000 0.860 225 E CB -0.153 29.533 29.700 -0.023 0.000 0.811 225 E HN 0.556 nan 8.360 nan 0.000 0.502 226 I N 1.738 122.318 120.570 0.016 0.000 2.333 226 I HA -0.042 4.128 4.170 0.001 0.000 0.246 226 I C 2.642 178.800 176.117 0.070 0.000 1.106 226 I CA 1.004 62.315 61.300 0.019 0.000 1.411 226 I CB -1.422 36.618 38.000 0.067 0.000 1.082 226 I HN 0.099 nan 8.210 nan 0.000 0.420 227 A N 1.491 124.393 122.820 0.136 0.000 1.892 227 A HA -0.198 4.123 4.320 0.001 0.000 0.218 227 A C 2.615 180.322 177.584 0.204 0.000 1.188 227 A CA 2.380 54.556 52.037 0.232 0.000 0.631 227 A CB -0.853 18.244 19.000 0.163 0.000 0.822 227 A HN 0.413 nan 8.150 nan 0.000 0.447 228 A N -0.520 122.347 122.820 0.079 0.000 1.865 228 A HA -0.081 4.240 4.320 0.001 0.000 0.217 228 A C 2.172 179.823 177.584 0.111 0.000 1.191 228 A CA 1.868 53.942 52.037 0.061 0.000 0.623 228 A CB -0.785 18.201 19.000 -0.023 0.000 0.826 228 A HN 0.793 nan 8.150 nan 0.000 0.444 229 L N -0.113 121.142 121.223 0.054 0.000 1.990 229 L HA -0.162 4.178 4.340 0.001 0.000 0.213 229 L C 2.724 179.627 176.870 0.055 0.000 1.072 229 L CA 2.534 57.391 54.840 0.029 0.000 0.755 229 L CB -0.884 41.152 42.059 -0.039 0.000 0.889 229 L HN 0.378 nan 8.230 nan 0.000 0.432 230 A N -1.153 121.688 122.820 0.035 0.000 1.917 230 A HA -0.294 4.026 4.320 0.001 0.000 0.219 230 A C 2.274 179.996 177.584 0.231 0.000 1.182 230 A CA 2.126 54.202 52.037 0.064 0.000 0.633 230 A CB -1.234 17.836 19.000 0.115 0.000 0.819 230 A HN 0.555 nan 8.150 nan 0.000 0.448 231 F N 0.308 120.377 119.950 0.198 0.000 2.051 231 F HA -0.143 4.385 4.527 0.001 0.000 0.296 231 F C 2.413 178.366 175.800 0.255 0.000 1.122 231 F CA 2.046 60.233 58.000 0.313 0.000 1.201 231 F CB -0.427 38.701 39.000 0.214 0.000 0.978 231 F HN 0.026 nan 8.300 nan 0.000 0.472 232 V N 0.830 121.013 119.914 0.449 0.000 2.407 232 V HA -0.318 3.803 4.120 0.001 0.000 0.248 232 V C 2.108 178.317 176.094 0.192 0.000 1.055 232 V CA 2.053 64.535 62.300 0.305 0.000 1.049 232 V CB -0.790 31.138 31.823 0.176 0.000 0.662 232 V HN 0.371 nan 8.190 nan 0.000 0.455 233 N N -0.017 118.764 118.700 0.136 0.000 2.142 233 N HA -0.133 4.607 4.740 0.001 0.000 0.186 233 N C 1.902 177.444 175.510 0.053 0.000 1.023 233 N CA 1.841 54.933 53.050 0.070 0.000 0.852 233 N CB -0.748 37.757 38.487 0.030 0.000 0.998 233 N HN 0.433 nan 8.380 nan 0.000 0.424 234 T N 1.123 115.713 114.554 0.060 0.000 2.685 234 T HA -0.102 4.249 4.350 0.001 0.000 0.268 234 T C 2.129 176.850 174.700 0.037 0.000 1.034 234 T CA 1.168 63.233 62.100 -0.059 0.000 1.149 234 T CB -0.362 68.355 68.868 -0.251 0.000 0.860 234 T HN 0.000 nan 8.240 nan 0.000 0.449 235 V N 0.783 120.823 119.914 0.208 0.000 2.283 235 V HA -0.129 3.991 4.120 0.001 0.000 0.243 235 V C 2.622 178.798 176.094 0.136 0.000 1.039 235 V CA 1.212 63.671 62.300 0.266 0.000 1.016 235 V CB -0.702 31.294 31.823 0.287 0.000 0.650 235 V HN 0.303 nan 8.190 nan 0.000 0.449 236 V N 0.479 120.453 119.914 0.099 0.000 2.214 236 V HA -0.317 3.804 4.120 0.001 0.000 0.245 236 V C 2.783 178.883 176.094 0.009 0.000 1.047 236 V CA 2.352 64.681 62.300 0.048 0.000 0.998 236 V CB -1.406 30.437 31.823 0.034 0.000 0.633 236 V HN 0.553 nan 8.190 nan 0.000 0.446 237 A N -0.016 122.793 122.820 -0.018 0.000 1.896 237 A HA -0.341 3.980 4.320 0.001 0.000 0.220 237 A C 2.360 179.902 177.584 -0.070 0.000 1.206 237 A CA 3.197 55.201 52.037 -0.056 0.000 0.647 237 A CB -1.350 17.602 19.000 -0.081 0.000 0.828 237 A HN 0.590 nan 8.150 nan 0.000 0.455 238 T N 0.165 114.674 114.554 -0.076 0.000 2.746 238 T HA 0.023 4.374 4.350 0.001 0.000 0.267 238 T C 2.206 176.857 174.700 -0.082 0.000 1.039 238 T CA 1.670 63.702 62.100 -0.113 0.000 1.142 238 T CB -0.555 68.267 68.868 -0.077 0.000 0.866 238 T HN 0.673 nan 8.240 nan 0.000 0.444 239 A N 1.526 124.327 122.820 -0.032 0.000 1.933 239 A HA 0.149 4.470 4.320 0.001 0.000 0.218 239 A C 2.635 180.210 177.584 -0.015 0.000 1.175 239 A CA 1.827 53.850 52.037 -0.024 0.000 0.628 239 A CB -1.058 17.949 19.000 0.012 0.000 0.814 239 A HN 0.525 nan 8.150 nan 0.000 0.444 240 A N -0.433 122.378 122.820 -0.014 0.000 1.929 240 A HA 0.281 4.601 4.320 0.001 0.000 0.216 240 A C 2.454 180.047 177.584 0.015 0.000 1.176 240 A CA 1.739 53.772 52.037 -0.007 0.000 0.628 240 A CB -0.830 18.156 19.000 -0.024 0.000 0.816 240 A HN 0.952 nan 8.150 nan 0.000 0.444 241 A N 0.168 122.993 122.820 0.008 0.000 1.873 241 A HA -0.037 4.283 4.320 0.001 0.000 0.215 241 A C 2.075 179.725 177.584 0.110 0.000 1.186 241 A CA 1.360 53.432 52.037 0.058 0.000 0.616 241 A CB -0.624 18.383 19.000 0.013 0.000 0.823 241 A HN 0.459 nan 8.150 nan 0.000 0.442 242 I N 0.007 120.595 120.570 0.031 0.000 2.113 242 I HA -0.345 3.826 4.170 0.001 0.000 0.242 242 I C 2.411 178.602 176.117 0.123 0.000 1.064 242 I CA 1.655 62.985 61.300 0.050 0.000 1.320 242 I CB -0.437 37.552 38.000 -0.018 0.000 1.028 242 I HN 0.318 nan 8.210 nan 0.000 0.406 243 L N 0.119 121.393 121.223 0.086 0.000 2.079 243 L HA -0.155 4.186 4.340 0.001 0.000 0.210 243 L C 2.660 179.634 176.870 0.173 0.000 1.081 243 L CA 1.585 56.489 54.840 0.107 0.000 0.752 243 L CB -1.270 40.820 42.059 0.051 0.000 0.896 243 L HN 0.361 nan 8.230 nan 0.000 0.433 244 G N -0.862 108.035 108.800 0.161 0.000 2.402 244 G HA2 -0.260 3.700 3.960 0.001 0.000 0.216 244 G HA3 -0.260 3.700 3.960 0.001 0.000 0.216 244 G C 1.361 176.408 174.900 0.245 0.000 1.162 244 G CA 0.120 45.326 45.100 0.177 0.000 0.777 244 G HN 0.373 nan 8.290 nan 0.000 0.539 245 W N 1.339 122.700 121.300 0.101 0.000 2.315 245 W HA -0.177 4.484 4.660 0.001 0.000 0.323 245 W C 2.230 178.823 176.519 0.124 0.000 1.233 245 W CA 1.300 58.704 57.345 0.098 0.000 1.267 245 W CB -0.511 28.980 29.460 0.051 0.000 1.160 245 W HN 0.109 nan 8.180 nan 0.000 0.474 246 I N 0.330 121.168 120.570 0.446 0.000 2.151 246 I HA -0.326 3.844 4.170 0.001 0.000 0.243 246 I C 2.480 178.779 176.117 0.304 0.000 1.080 246 I CA 1.739 63.237 61.300 0.331 0.000 1.339 246 I CB -2.070 36.071 38.000 0.234 0.000 1.039 246 I HN -0.027 nan 8.210 nan 0.000 0.409 247 F N 1.843 121.892 119.950 0.164 0.000 2.134 247 F HA -0.121 4.407 4.527 0.001 0.000 0.299 247 F C 2.419 178.372 175.800 0.255 0.000 1.097 247 F CA 1.845 59.956 58.000 0.184 0.000 1.264 247 F CB -0.701 38.354 39.000 0.092 0.000 1.001 247 F HN 0.054 nan 8.300 nan 0.000 0.479 248 G N -0.541 108.392 108.800 0.222 0.000 2.408 248 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 248 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 248 G C 1.544 176.387 174.900 -0.096 0.000 1.150 248 G CA 0.780 45.894 45.100 0.023 0.000 0.776 248 G HN 0.499 nan 8.290 nan 0.000 0.542 249 E N -0.678 119.508 120.200 -0.025 0.000 2.046 249 E HA -0.140 4.210 4.350 0.001 0.000 0.190 249 E C 2.047 178.631 176.600 -0.027 0.000 0.982 249 E CA 0.727 57.127 56.400 -0.001 0.000 0.800 249 E CB -0.312 29.488 29.700 0.166 0.000 0.756 249 E HN 0.513 nan 8.360 nan 0.000 0.449 250 W N 1.347 122.570 121.300 -0.128 0.000 2.304 250 W HA -0.286 4.374 4.660 0.001 0.000 0.315 250 W C 2.097 178.459 176.519 -0.262 0.000 1.233 250 W CA 2.778 60.021 57.345 -0.170 0.000 1.261 250 W CB -0.466 28.887 29.460 -0.179 0.000 1.150 250 W HN 0.178 nan 8.180 nan 0.000 0.494 251 A N -0.326 122.216 122.820 -0.463 0.000 1.929 251 A HA -0.063 4.257 4.320 0.001 0.000 0.216 251 A C 2.056 179.354 177.584 -0.478 0.000 1.176 251 A CA 1.650 53.275 52.037 -0.686 0.000 0.628 251 A CB -0.759 17.923 19.000 -0.530 0.000 0.816 251 A HN 0.405 nan 8.150 nan 0.000 0.444 252 L N -1.973 119.063 121.223 -0.313 0.000 2.253 252 L HA 0.104 4.444 4.340 0.001 0.000 0.205 252 L C 2.358 179.104 176.870 -0.207 0.000 1.078 252 L CA 0.555 55.266 54.840 -0.214 0.000 0.805 252 L CB -0.151 41.822 42.059 -0.142 0.000 0.963 252 L HN 0.216 nan 8.230 nan 0.000 0.459 253 R N -0.428 119.943 120.500 -0.215 0.000 2.437 253 R HA 0.228 4.569 4.340 0.001 0.000 0.257 253 R C 1.207 177.375 176.300 -0.220 0.000 0.927 253 R CA 0.664 56.664 56.100 -0.167 0.000 1.078 253 R CB 1.035 31.282 30.300 -0.088 0.000 1.161 253 R HN 0.395 nan 8.270 nan 0.000 0.529 254 G N 2.416 110.983 108.800 -0.388 0.000 2.253 254 G HA2 -0.344 3.617 3.960 0.001 0.000 0.251 254 G HA3 -0.344 3.617 3.960 0.001 0.000 0.251 254 G C 0.002 174.694 174.900 -0.346 0.000 0.998 254 G CA 0.807 45.633 45.100 -0.455 0.000 0.621 254 G HN 0.410 nan 8.290 nan 0.000 0.524 255 K N -0.457 119.850 120.400 -0.155 0.000 2.572 255 K HA 0.617 4.937 4.320 0.001 0.000 0.263 255 K C -3.292 173.372 176.600 0.107 0.000 0.932 255 K CA -1.859 54.467 56.287 0.065 0.000 0.838 255 K CB 2.566 35.098 32.500 0.053 0.000 1.366 255 K HN 0.052 nan 8.250 nan 0.000 0.425 256 P HA 0.005 nan 4.420 nan 0.000 0.271 256 P C -0.643 176.720 177.300 0.106 0.000 1.244 256 P CA -0.232 62.968 63.100 0.167 0.000 0.793 256 P CB 0.786 32.584 31.700 0.165 0.000 0.984 257 S N -1.004 114.752 115.700 0.094 0.000 2.588 257 S HA 0.256 4.727 4.470 0.001 0.000 0.269 257 S C 0.348 174.958 174.600 0.017 0.000 1.157 257 S CA -0.703 57.525 58.200 0.047 0.000 0.824 257 S CB 0.807 64.036 63.200 0.049 0.000 1.126 257 S HN 0.259 nan 8.310 nan 0.000 0.464 258 L N 0.935 122.148 121.223 -0.017 0.000 2.072 258 L HA 0.298 4.638 4.340 0.001 0.000 0.205 258 L C 1.979 178.820 176.870 -0.050 0.000 1.079 258 L CA 1.655 56.473 54.840 -0.037 0.000 0.752 258 L CB -1.085 40.937 42.059 -0.061 0.000 0.906 258 L HN 0.829 nan 8.230 nan 0.000 0.436 259 L N -0.041 121.144 121.223 -0.064 0.000 2.093 259 L HA 0.078 4.419 4.340 0.001 0.000 0.208 259 L C 2.327 179.087 176.870 -0.183 0.000 1.085 259 L CA 1.916 56.689 54.840 -0.112 0.000 0.755 259 L CB -1.372 40.630 42.059 -0.095 0.000 0.904 259 L HN 0.307 nan 8.230 nan 0.000 0.435 260 G N -1.020 107.724 108.800 -0.094 0.000 2.442 260 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 260 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 260 G C 1.567 176.201 174.900 -0.444 0.000 1.141 260 G CA 0.864 45.877 45.100 -0.144 0.000 0.763 260 G HN 0.621 nan 8.290 nan 0.000 0.554 261 A N 0.247 122.963 122.820 -0.174 0.000 1.841 261 A HA -0.050 4.271 4.320 0.001 0.000 0.214 261 A C 2.616 180.057 177.584 -0.238 0.000 1.195 261 A CA 1.793 53.746 52.037 -0.140 0.000 0.611 261 A CB -1.069 17.912 19.000 -0.032 0.000 0.835 261 A HN 0.436 nan 8.150 nan 0.000 0.443 262 C N -0.175 119.013 119.300 -0.186 0.000 2.401 262 C HA -0.101 4.359 4.460 0.001 0.000 0.276 262 C C 3.208 177.997 174.990 -0.335 0.000 1.233 262 C CA 1.256 60.162 59.018 -0.187 0.000 1.753 262 C CB -1.514 26.189 27.740 -0.061 0.000 2.029 262 C HN 0.612 nan 8.230 nan 0.000 0.478 263 S N 1.015 116.386 115.700 -0.549 0.000 2.365 263 S HA -0.108 4.363 4.470 0.001 0.000 0.225 263 S C 2.172 176.210 174.600 -0.936 0.000 1.039 263 S CA 1.695 59.379 58.200 -0.861 0.000 1.033 263 S CB -0.966 61.401 63.200 -1.388 0.000 0.887 263 S HN 0.768 nan 8.310 nan 0.000 0.447 264 G N 1.695 109.907 108.800 -0.981 0.000 2.529 264 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 264 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 264 G C 1.611 176.389 174.900 -0.203 0.000 1.177 264 G CA 1.242 46.183 45.100 -0.265 0.000 0.773 264 G HN 0.620 nan 8.290 nan 0.000 0.573 265 A N 0.718 123.378 122.820 -0.267 0.000 1.883 265 A HA -0.035 4.286 4.320 0.001 0.000 0.217 265 A C 2.392 179.779 177.584 -0.329 0.000 1.186 265 A CA 1.657 53.526 52.037 -0.279 0.000 0.624 265 A CB -0.344 18.463 19.000 -0.322 0.000 0.822 265 A HN 0.300 nan 8.150 nan 0.000 0.444 266 I N -0.066 120.296 120.570 -0.346 0.000 2.226 266 I HA -0.242 3.928 4.170 0.001 0.000 0.245 266 I C 2.955 178.861 176.117 -0.351 0.000 1.100 266 I CA 1.443 62.511 61.300 -0.386 0.000 1.374 266 I CB -1.596 36.194 38.000 -0.349 0.000 1.057 266 I HN 0.379 nan 8.210 nan 0.000 0.413 267 A N 0.808 123.499 122.820 -0.214 0.000 1.940 267 A HA -0.129 4.191 4.320 0.001 0.000 0.219 267 A C 2.473 179.982 177.584 -0.124 0.000 1.176 267 A CA 1.925 53.916 52.037 -0.076 0.000 0.631 267 A CB -1.243 17.840 19.000 0.138 0.000 0.814 267 A HN 0.449 nan 8.150 nan 0.000 0.446 268 G N -0.697 107.999 108.800 -0.174 0.000 2.421 268 G HA2 -0.022 3.939 3.960 0.001 0.000 0.217 268 G HA3 -0.022 3.939 3.960 0.001 0.000 0.217 268 G C 1.539 176.246 174.900 -0.323 0.000 1.143 268 G CA 0.776 45.770 45.100 -0.176 0.000 0.784 268 G HN 0.414 nan 8.290 nan 0.000 0.541 269 L N 0.134 121.009 121.223 -0.580 0.000 2.005 269 L HA -0.064 4.277 4.340 0.001 0.000 0.207 269 L C 2.998 179.363 176.870 -0.842 0.000 1.072 269 L CA 0.578 54.753 54.840 -1.109 0.000 0.744 269 L CB -0.526 40.394 42.059 -1.899 0.000 0.895 269 L HN 0.075 nan 8.230 nan 0.000 0.433 270 V N 0.309 119.853 119.914 -0.617 0.000 2.255 270 V HA -0.278 3.843 4.120 0.001 0.000 0.247 270 V C 2.627 178.691 176.094 -0.051 0.000 1.051 270 V CA 2.202 64.326 62.300 -0.293 0.000 1.018 270 V CB -1.342 30.286 31.823 -0.324 0.000 0.641 270 V HN 0.612 nan 8.190 nan 0.000 0.445 271 G N -1.096 107.668 108.800 -0.059 0.000 2.469 271 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 271 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 271 G C 1.712 176.658 174.900 0.077 0.000 1.136 271 G CA 1.234 46.355 45.100 0.035 0.000 0.759 271 G HN 0.408 nan 8.290 nan 0.000 0.562 272 V N 0.250 120.177 119.914 0.021 0.000 2.951 272 V HA -0.036 4.084 4.120 0.001 0.000 0.255 272 V C 2.917 179.140 176.094 0.216 0.000 1.088 272 V CA 2.147 64.487 62.300 0.067 0.000 1.109 272 V CB -0.439 31.368 31.823 -0.026 0.000 0.724 272 V HN 0.387 nan 8.190 nan 0.000 0.471 273 T N 1.864 116.613 114.554 0.325 0.000 2.597 273 T HA -0.129 4.222 4.350 0.001 0.000 0.267 273 T C -0.305 174.746 174.700 0.584 0.000 1.053 273 T CA 2.430 64.903 62.100 0.621 0.000 1.165 273 T CB -1.113 68.302 68.868 0.910 0.000 0.863 273 T HN 0.543 nan 8.240 nan 0.000 0.427 274 P HA 0.221 nan 4.420 nan 0.000 0.237 274 P C 0.466 178.087 177.300 0.535 0.000 1.178 274 P CA 0.746 64.158 63.100 0.521 0.000 0.766 274 P CB -0.003 31.943 31.700 0.410 0.000 0.876 275 A N -0.682 122.380 122.820 0.402 0.000 2.382 275 A HA 0.086 4.406 4.320 0.001 0.000 0.228 275 A C 2.169 179.861 177.584 0.180 0.000 1.217 275 A CA 0.334 52.586 52.037 0.358 0.000 0.923 275 A CB -1.334 17.823 19.000 0.261 0.000 0.979 275 A HN 0.351 nan 8.150 nan 0.000 0.515 276 C N -1.468 117.895 119.300 0.104 0.000 2.413 276 C HA 0.071 4.532 4.460 0.001 0.000 0.276 276 C C 2.424 177.168 174.990 -0.411 0.000 1.248 276 C CA 0.921 59.902 59.018 -0.062 0.000 1.742 276 C CB -1.660 26.108 27.740 0.048 0.000 2.017 276 C HN 0.508 nan 8.230 nan 0.000 0.481 277 G N -1.865 106.235 108.800 -1.167 0.000 2.920 277 G HA2 0.215 4.176 3.960 0.001 0.000 0.208 277 G HA3 0.215 4.176 3.960 0.001 0.000 0.208 277 G C 0.848 175.190 174.900 -0.931 0.000 1.159 277 G CA 0.407 44.441 45.100 -1.777 0.000 0.784 277 G HN 0.693 nan 8.290 nan 0.000 0.535 278 Y N -0.264 119.898 120.300 -0.231 0.000 2.432 278 Y HA 0.359 4.910 4.550 0.001 0.000 0.252 278 Y C 1.116 176.992 175.900 -0.041 0.000 1.097 278 Y CA -1.486 56.574 58.100 -0.067 0.000 1.250 278 Y CB 0.277 38.753 38.460 0.027 0.000 1.245 278 Y HN 0.200 nan 8.280 nan 0.000 0.522 279 I N -1.567 119.078 120.570 0.124 0.000 2.707 279 I HA 0.843 5.014 4.170 0.001 0.000 0.309 279 I C 0.710 176.863 176.117 0.060 0.000 1.001 279 I CA -1.232 60.137 61.300 0.115 0.000 1.129 279 I CB 1.339 39.422 38.000 0.138 0.000 1.308 279 I HN 0.033 nan 8.210 nan 0.000 0.466 280 G N 2.043 110.890 108.800 0.078 0.000 2.483 280 G HA2 0.334 4.295 3.960 0.001 0.000 0.248 280 G HA3 0.334 4.295 3.960 0.001 0.000 0.248 280 G C 1.015 175.936 174.900 0.034 0.000 1.248 280 G CA -0.135 44.998 45.100 0.054 0.000 0.838 280 G HN 0.934 nan 8.290 nan 0.000 0.566 281 V N 1.555 121.484 119.914 0.024 0.000 2.453 281 V HA -0.116 4.005 4.120 0.001 0.000 0.252 281 V C 2.633 178.726 176.094 -0.002 0.000 1.068 281 V CA 2.200 64.509 62.300 0.015 0.000 1.070 281 V CB -1.480 30.357 31.823 0.024 0.000 0.664 281 V HN 0.788 nan 8.190 nan 0.000 0.461 282 G N 1.270 110.080 108.800 0.016 0.000 2.631 282 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 282 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 282 G C 1.576 176.447 174.900 -0.048 0.000 1.214 282 G CA 1.351 46.460 45.100 0.015 0.000 0.785 282 G HN 0.831 nan 8.290 nan 0.000 0.596 283 G N 0.711 109.483 108.800 -0.045 0.000 2.443 283 G HA2 0.133 4.094 3.960 0.001 0.000 0.219 283 G HA3 0.133 4.094 3.960 0.001 0.000 0.219 283 G C 2.025 176.705 174.900 -0.368 0.000 1.131 283 G CA 1.430 46.327 45.100 -0.339 0.000 0.775 283 G HN 0.740 nan 8.290 nan 0.000 0.547 284 A N 0.940 123.671 122.820 -0.147 0.000 1.865 284 A HA -0.032 4.288 4.320 0.001 0.000 0.217 284 A C 2.359 179.863 177.584 -0.133 0.000 1.191 284 A CA 1.577 53.550 52.037 -0.107 0.000 0.623 284 A CB -0.580 18.398 19.000 -0.037 0.000 0.826 284 A HN 0.508 nan 8.150 nan 0.000 0.444 285 L N -0.788 120.369 121.223 -0.110 0.000 2.201 285 L HA -0.074 4.266 4.340 0.001 0.000 0.212 285 L C 2.206 178.997 176.870 -0.132 0.000 1.105 285 L CA 1.209 55.994 54.840 -0.091 0.000 0.775 285 L CB -0.206 41.821 42.059 -0.054 0.000 0.913 285 L HN 0.435 nan 8.230 nan 0.000 0.440 286 I N -0.061 120.376 120.570 -0.222 0.000 2.252 286 I HA -0.314 3.857 4.170 0.001 0.000 0.245 286 I C 2.416 178.388 176.117 -0.243 0.000 1.102 286 I CA 1.346 62.496 61.300 -0.251 0.000 1.385 286 I CB -0.198 37.561 38.000 -0.401 0.000 1.064 286 I HN 0.258 nan 8.210 nan 0.000 0.414 287 I N 0.743 121.120 120.570 -0.322 0.000 2.127 287 I HA -0.255 3.916 4.170 0.001 0.000 0.241 287 I C 2.706 178.771 176.117 -0.088 0.000 1.075 287 I CA 1.801 62.992 61.300 -0.183 0.000 1.334 287 I CB -1.006 36.896 38.000 -0.164 0.000 1.040 287 I HN 0.275 nan 8.210 nan 0.000 0.405 288 G N 0.507 109.256 108.800 -0.085 0.000 2.446 288 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 288 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 288 G C 1.725 176.615 174.900 -0.017 0.000 1.168 288 G CA 1.016 46.087 45.100 -0.048 0.000 0.771 288 G HN 0.232 nan 8.290 nan 0.000 0.551 289 V N 0.449 120.344 119.914 -0.031 0.000 2.231 289 V HA -0.215 3.906 4.120 0.001 0.000 0.248 289 V C 3.091 179.191 176.094 0.010 0.000 1.054 289 V CA 1.859 64.153 62.300 -0.009 0.000 1.015 289 V CB -0.600 31.201 31.823 -0.036 0.000 0.638 289 V HN 0.255 nan 8.190 nan 0.000 0.444 290 V N 0.077 119.986 119.914 -0.008 0.000 2.407 290 V HA -0.253 3.867 4.120 0.001 0.000 0.248 290 V C 2.608 178.725 176.094 0.038 0.000 1.055 290 V CA 1.941 64.246 62.300 0.009 0.000 1.049 290 V CB -1.172 30.654 31.823 0.004 0.000 0.662 290 V HN 0.575 nan 8.190 nan 0.000 0.455 291 A N 0.650 123.495 122.820 0.042 0.000 1.855 291 A HA -0.059 4.262 4.320 0.001 0.000 0.215 291 A C 2.463 180.126 177.584 0.132 0.000 1.191 291 A CA 1.868 53.950 52.037 0.075 0.000 0.613 291 A CB -1.315 17.710 19.000 0.041 0.000 0.829 291 A HN 0.505 nan 8.150 nan 0.000 0.442 292 G N -0.190 108.697 108.800 0.146 0.000 2.440 292 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 292 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 292 G C 1.580 176.570 174.900 0.150 0.000 1.154 292 G CA 1.126 46.391 45.100 0.274 0.000 0.767 292 G HN 0.422 nan 8.290 nan 0.000 0.552 293 L N 0.549 121.814 121.223 0.070 0.000 2.027 293 L HA -0.029 4.311 4.340 0.001 0.000 0.206 293 L C 3.453 180.330 176.870 0.012 0.000 1.074 293 L CA 1.041 55.884 54.840 0.006 0.000 0.745 293 L CB -0.500 41.576 42.059 0.028 0.000 0.898 293 L HN 0.300 nan 8.230 nan 0.000 0.433 294 A N 0.418 123.282 122.820 0.073 0.000 1.883 294 A HA -0.184 4.137 4.320 0.001 0.000 0.217 294 A C 2.393 180.102 177.584 0.209 0.000 1.186 294 A CA 1.980 54.113 52.037 0.160 0.000 0.624 294 A CB -1.470 17.608 19.000 0.129 0.000 0.822 294 A HN 0.460 nan 8.150 nan 0.000 0.444 295 G N -0.082 108.832 108.800 0.190 0.000 2.514 295 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 295 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 295 G C 1.495 176.356 174.900 -0.064 0.000 1.198 295 G CA 1.394 46.675 45.100 0.301 0.000 0.780 295 G HN 0.533 nan 8.290 nan 0.000 0.565 296 L N -0.148 120.537 121.223 -0.897 0.000 1.971 296 L HA -0.090 4.251 4.340 0.001 0.000 0.215 296 L C 2.496 179.151 176.870 -0.358 0.000 1.072 296 L CA 2.365 56.491 54.840 -1.189 0.000 0.758 296 L CB -1.106 40.171 42.059 -1.303 0.000 0.889 296 L HN 0.503 nan 8.230 nan 0.000 0.433 297 W N 0.438 121.566 121.300 -0.288 0.000 2.335 297 W HA -0.116 4.545 4.660 0.001 0.000 0.311 297 W C 2.239 178.717 176.519 -0.070 0.000 1.213 297 W CA 2.678 59.938 57.345 -0.140 0.000 1.274 297 W CB -0.962 28.448 29.460 -0.085 0.000 1.148 297 W HN 0.271 nan 8.180 nan 0.000 0.498 298 G N 1.062 109.879 108.800 0.029 0.000 2.672 298 G HA2 -0.430 3.531 3.960 0.001 0.000 0.218 298 G HA3 -0.430 3.531 3.960 0.001 0.000 0.218 298 G C 1.543 176.288 174.900 -0.259 0.000 1.238 298 G CA 2.906 47.908 45.100 -0.164 0.000 0.791 298 G HN 0.688 nan 8.290 nan 0.000 0.606 299 V N -1.190 118.683 119.914 -0.068 0.000 2.332 299 V HA -0.196 3.925 4.120 0.001 0.000 0.248 299 V C 2.624 178.640 176.094 -0.130 0.000 1.055 299 V CA 3.029 65.313 62.300 -0.026 0.000 1.038 299 V CB -1.579 30.327 31.823 0.138 0.000 0.651 299 V HN 0.330 nan 8.190 nan 0.000 0.450 300 T N 0.286 114.716 114.554 -0.206 0.000 2.737 300 T HA -0.229 4.122 4.350 0.001 0.000 0.269 300 T C 1.812 176.328 174.700 -0.306 0.000 1.040 300 T CA 2.681 64.640 62.100 -0.234 0.000 1.142 300 T CB -0.398 68.321 68.868 -0.250 0.000 0.861 300 T HN 0.438 nan 8.240 nan 0.000 0.456 301 M N 0.249 119.546 119.600 -0.504 0.000 2.193 301 M HA 0.218 4.698 4.480 0.001 0.000 0.265 301 M C 0.814 176.969 176.300 -0.242 0.000 1.071 301 M CA 0.686 55.713 55.300 -0.454 0.000 1.140 301 M CB -0.539 31.612 32.600 -0.750 0.000 1.369 301 M HN 0.114 nan 8.290 nan 0.000 0.423 302 L N 3.218 124.325 121.223 -0.192 0.000 2.827 302 L HA -0.083 4.258 4.340 0.001 0.000 0.293 302 L C -0.367 176.470 176.870 -0.055 0.000 1.156 302 L CA 0.295 55.088 54.840 -0.079 0.000 1.145 302 L CB -1.008 41.036 42.059 -0.024 0.000 1.474 302 L HN 0.402 nan 8.230 nan 0.000 0.442 303 K N 1.505 121.875 120.400 -0.051 0.000 2.168 303 K HA 0.120 4.440 4.320 0.001 0.000 0.202 303 K C -0.944 175.631 176.600 -0.041 0.000 1.839 303 K CA -0.350 55.914 56.287 -0.038 0.000 0.633 303 K CB -0.770 31.706 32.500 -0.040 0.000 1.431 303 K HN 0.278 nan 8.250 nan 0.000 0.321 311 P HA 0.104 nan 4.420 nan 0.000 0.271 311 P C 0.801 178.107 177.300 0.008 0.000 1.535 311 P CA -0.098 63.026 63.100 0.041 0.000 0.820 311 P CB -0.469 31.304 31.700 0.122 0.000 1.606 312 C N -0.215 119.087 119.300 0.005 0.000 2.539 312 C HA 0.021 4.481 4.460 0.001 0.000 0.271 312 C C 2.090 177.098 174.990 0.029 0.000 1.412 312 C CA 0.082 59.104 59.018 0.007 0.000 1.729 312 C CB -1.205 26.675 27.740 0.234 0.000 1.739 312 C HN 0.405 nan 8.230 nan 0.000 0.570 313 D N 0.887 121.295 120.400 0.013 0.000 2.178 313 D HA -0.101 4.539 4.640 0.001 0.000 0.202 313 D C 2.123 178.438 176.300 0.025 0.000 0.974 313 D CA 1.050 55.078 54.000 0.048 0.000 0.841 313 D CB -0.048 40.785 40.800 0.056 0.000 0.953 313 D HN 0.309 nan 8.370 nan 0.000 0.478 314 V N 1.431 121.294 119.914 -0.086 0.000 2.313 314 V HA -0.305 3.815 4.120 0.001 0.000 0.253 314 V C 2.232 178.289 176.094 -0.062 0.000 1.070 314 V CA 1.626 63.847 62.300 -0.133 0.000 1.057 314 V CB -0.801 30.871 31.823 -0.250 0.000 0.653 314 V HN 0.076 nan 8.190 nan 0.000 0.450 315 F N 1.388 121.431 119.950 0.155 0.000 2.171 315 F HA 0.024 4.552 4.527 0.002 0.000 0.300 315 F C 2.421 178.302 175.800 0.135 0.000 1.090 315 F CA 1.096 59.182 58.000 0.144 0.000 1.293 315 F CB -1.608 37.469 39.000 0.128 0.000 1.013 315 F HN 0.186 nan 8.300 nan 0.000 0.486 316 G N 0.183 109.139 108.800 0.260 0.000 2.421 316 G HA2 -0.174 3.787 3.960 0.001 0.000 0.216 316 G HA3 -0.174 3.787 3.960 0.001 0.000 0.216 316 G C 1.880 176.894 174.900 0.190 0.000 1.171 316 G CA 1.237 46.453 45.100 0.193 0.000 0.775 316 G HN 0.238 nan 8.290 nan 0.000 0.543 317 V N 1.787 121.806 119.914 0.176 0.000 2.220 317 V HA -0.168 3.953 4.120 0.001 0.000 0.246 317 V C 3.386 179.569 176.094 0.149 0.000 1.049 317 V CA 2.249 64.655 62.300 0.177 0.000 1.003 317 V CB -1.171 30.740 31.823 0.146 0.000 0.634 317 V HN 0.487 nan 8.190 nan 0.000 0.444 318 A N 0.373 123.276 122.820 0.139 0.000 1.927 318 A HA -0.231 4.089 4.320 0.001 0.000 0.220 318 A C 2.367 180.087 177.584 0.226 0.000 1.185 318 A CA 2.523 54.661 52.037 0.169 0.000 0.639 318 A CB -1.349 17.805 19.000 0.257 0.000 0.820 318 A HN 0.598 nan 8.150 nan 0.000 0.451 319 G N -1.302 107.646 108.800 0.247 0.000 2.394 319 G HA2 0.012 3.973 3.960 0.001 0.000 0.214 319 G HA3 0.012 3.973 3.960 0.001 0.000 0.214 319 G C 1.510 176.536 174.900 0.210 0.000 1.176 319 G CA 1.060 46.304 45.100 0.240 0.000 0.786 319 G HN 0.329 nan 8.290 nan 0.000 0.533 320 V N 0.523 120.561 119.914 0.206 0.000 2.323 320 V HA -0.166 3.955 4.120 0.001 0.000 0.244 320 V C 3.013 179.218 176.094 0.184 0.000 1.041 320 V CA 1.745 64.171 62.300 0.211 0.000 1.025 320 V CB -0.432 31.543 31.823 0.253 0.000 0.656 320 V HN 0.491 nan 8.190 nan 0.000 0.451 321 C N 0.517 119.918 119.300 0.168 0.000 2.457 321 C HA 0.034 4.494 4.460 0.001 0.000 0.278 321 C C 2.890 177.963 174.990 0.138 0.000 1.309 321 C CA 0.448 59.546 59.018 0.133 0.000 1.735 321 C CB -1.628 26.169 27.740 0.094 0.000 1.992 321 C HN 0.667 nan 8.230 nan 0.000 0.493 322 G N 1.090 109.990 108.800 0.167 0.000 2.459 322 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 322 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 322 G C 1.461 176.481 174.900 0.200 0.000 1.183 322 G CA 0.936 46.170 45.100 0.225 0.000 0.776 322 G HN 0.524 nan 8.290 nan 0.000 0.552 323 I N 0.345 121.024 120.570 0.181 0.000 2.194 323 I HA -0.210 3.961 4.170 0.001 0.000 0.246 323 I C 2.801 179.002 176.117 0.141 0.000 1.093 323 I CA 0.694 62.087 61.300 0.154 0.000 1.355 323 I CB -0.348 37.739 38.000 0.144 0.000 1.046 323 I HN 0.051 nan 8.210 nan 0.000 0.413 324 V N 0.963 120.959 119.914 0.137 0.000 2.261 324 V HA -0.220 3.900 4.120 0.001 0.000 0.246 324 V C 2.612 178.786 176.094 0.134 0.000 1.047 324 V CA 2.296 64.668 62.300 0.120 0.000 1.015 324 V CB -1.401 30.485 31.823 0.106 0.000 0.642 324 V HN 0.572 nan 8.190 nan 0.000 0.446 325 G N -1.418 107.468 108.800 0.144 0.000 2.432 325 G HA2 -0.267 3.693 3.960 0.001 0.000 0.219 325 G HA3 -0.267 3.693 3.960 0.001 0.000 0.219 325 G C 1.691 176.708 174.900 0.196 0.000 1.135 325 G CA 1.336 46.534 45.100 0.163 0.000 0.767 325 G HN 0.544 nan 8.290 nan 0.000 0.550 326 C N 0.225 119.641 119.300 0.193 0.000 2.457 326 C HA 0.159 4.620 4.460 0.001 0.000 0.278 326 C C 2.793 177.879 174.990 0.160 0.000 1.309 326 C CA 0.143 59.274 59.018 0.187 0.000 1.735 326 C CB -0.801 27.039 27.740 0.167 0.000 1.992 326 C HN 0.460 nan 8.230 nan 0.000 0.493 327 I N 0.301 120.957 120.570 0.143 0.000 2.286 327 I HA -0.203 3.968 4.170 0.001 0.000 0.245 327 I C 2.491 178.705 176.117 0.161 0.000 1.104 327 I CA 1.589 62.964 61.300 0.126 0.000 1.397 327 I CB -0.443 37.620 38.000 0.104 0.000 1.072 327 I HN 0.325 nan 8.210 nan 0.000 0.417 328 M N -0.075 119.645 119.600 0.199 0.000 2.394 328 M HA -0.112 4.369 4.480 0.001 0.000 0.264 328 M C 2.183 178.694 176.300 0.351 0.000 1.073 328 M CA 1.314 56.792 55.300 0.298 0.000 1.111 328 M CB -0.474 32.293 32.600 0.278 0.000 1.401 328 M HN 0.215 nan 8.290 nan 0.000 0.448 329 T N 0.388 115.104 114.554 0.269 0.000 2.759 329 T HA -0.129 4.222 4.350 0.001 0.000 0.269 329 T C 1.692 176.534 174.700 0.237 0.000 1.042 329 T CA 1.648 63.905 62.100 0.260 0.000 1.140 329 T CB -0.591 68.423 68.868 0.244 0.000 0.864 329 T HN 0.643 nan 8.240 nan 0.000 0.455 330 G N -0.269 108.665 108.800 0.224 0.000 2.776 330 G HA2 0.147 4.107 3.960 0.001 0.000 0.209 330 G HA3 0.147 4.107 3.960 0.001 0.000 0.209 330 G C 1.178 176.261 174.900 0.305 0.000 1.145 330 G CA 0.152 45.409 45.100 0.262 0.000 0.791 330 G HN 0.477 nan 8.290 nan 0.000 0.530 331 I N -1.652 119.050 120.570 0.220 0.000 3.534 331 I HA 0.230 4.401 4.170 0.001 0.000 0.251 331 I C 1.740 177.792 176.117 -0.108 0.000 1.136 331 I CA -0.141 61.188 61.300 0.047 0.000 1.475 331 I CB 0.006 37.927 38.000 -0.132 0.000 1.526 331 I HN -0.001 nan 8.210 nan 0.000 0.454 332 F N 1.670 121.679 119.950 0.098 0.000 2.307 332 F HA -0.154 4.373 4.527 0.001 0.000 0.301 332 F C 2.494 178.265 175.800 -0.050 0.000 1.076 332 F CA 1.132 59.154 58.000 0.036 0.000 1.383 332 F CB -0.643 38.386 39.000 0.048 0.000 1.055 332 F HN 0.046 nan 8.300 nan 0.000 0.526 333 A N 0.433 123.228 122.820 -0.042 0.000 2.070 333 A HA 0.181 4.502 4.320 0.001 0.000 0.220 333 A C 1.673 178.872 177.584 -0.643 0.000 1.159 333 A CA 0.645 52.512 52.037 -0.282 0.000 0.656 333 A CB -1.147 17.636 19.000 -0.362 0.000 0.800 333 A HN 0.197 nan 8.150 nan 0.000 0.453 334 A N -0.038 122.291 122.820 -0.818 0.000 2.587 334 A HA 0.299 4.619 4.320 0.001 0.000 0.233 334 A C 1.536 178.945 177.584 -0.293 0.000 1.049 334 A CA 0.535 52.173 52.037 -0.666 0.000 0.754 334 A CB -0.003 18.934 19.000 -0.106 0.000 0.977 334 A HN 0.470 nan 8.150 nan 0.000 0.509 335 S N 2.116 117.698 115.700 -0.198 0.000 2.351 335 S HA -0.204 4.266 4.470 0.001 0.000 0.220 335 S C 2.291 176.867 174.600 -0.041 0.000 1.035 335 S CA 1.769 59.922 58.200 -0.080 0.000 1.031 335 S CB -0.606 62.575 63.200 -0.031 0.000 0.928 335 S HN 0.945 nan 8.310 nan 0.000 0.433 336 S N 2.233 117.921 115.700 -0.019 0.000 2.426 336 S HA -0.200 4.271 4.470 0.001 0.000 0.253 336 S C 1.406 175.999 174.600 -0.010 0.000 1.104 336 S CA 1.529 59.726 58.200 -0.005 0.000 1.158 336 S CB -0.673 62.531 63.200 0.007 0.000 1.043 336 S HN 0.431 nan 8.310 nan 0.000 0.443 337 L N 1.018 122.222 121.223 -0.032 0.000 2.728 337 L HA 0.353 4.693 4.340 0.001 0.000 0.235 337 L C 1.529 178.448 176.870 0.081 0.000 1.197 337 L CA 0.243 55.085 54.840 0.003 0.000 0.992 337 L CB -0.358 41.627 42.059 -0.123 0.000 1.263 337 L HN 0.587 nan 8.230 nan 0.000 0.484 338 G N -0.292 108.532 108.800 0.039 0.000 2.157 338 G HA2 -0.223 3.738 3.960 0.001 0.000 0.248 338 G HA3 -0.223 3.738 3.960 0.001 0.000 0.248 338 G C 0.515 175.435 174.900 0.033 0.000 0.979 338 G CA -0.125 45.002 45.100 0.045 0.000 0.650 338 G HN 0.530 nan 8.290 nan 0.000 0.529 339 G N -1.070 107.729 108.800 -0.001 0.000 2.543 339 G HA2 0.614 4.575 3.960 0.001 0.000 0.290 339 G HA3 0.614 4.575 3.960 0.001 0.000 0.290 339 G C 1.377 176.259 174.900 -0.029 0.000 1.310 339 G CA 0.626 45.719 45.100 -0.012 0.000 1.025 339 G HN 1.301 nan 8.290 nan 0.000 0.502 340 V N -2.521 117.392 119.914 -0.001 0.000 3.380 340 V HA 0.509 4.630 4.120 0.001 0.000 0.268 340 V C 1.066 177.147 176.094 -0.021 0.000 1.168 340 V CA 0.738 63.048 62.300 0.018 0.000 1.156 340 V CB -1.213 30.661 31.823 0.084 0.000 0.785 340 V HN 2.128 nan 8.190 nan 0.000 0.487 341 G N -0.600 108.120 108.800 -0.133 0.000 2.640 341 G HA2 0.018 3.978 3.960 0.001 0.000 0.686 341 G HA3 0.018 3.978 3.960 0.001 0.000 0.686 341 G C -0.879 173.889 174.900 -0.220 0.000 1.229 341 G CA -0.588 44.406 45.100 -0.177 0.000 0.796 341 G HN 0.294 nan 8.290 nan 0.000 0.654 342 F N 1.400 121.364 119.950 0.023 0.000 2.378 342 F HA 0.668 5.196 4.527 0.001 0.000 0.319 342 F C 1.495 177.304 175.800 0.015 0.000 1.155 342 F CA 0.520 58.524 58.000 0.007 0.000 1.157 342 F CB 0.648 39.650 39.000 0.004 0.000 1.252 342 F HN 0.979 nan 8.300 nan 0.000 0.550 343 A N 0.766 123.724 122.820 0.230 0.000 2.567 343 A HA 0.028 4.349 4.320 0.001 0.000 0.236 343 A C 0.154 177.804 177.584 0.110 0.000 1.088 343 A CA -0.275 51.841 52.037 0.133 0.000 0.776 343 A CB -0.273 18.786 19.000 0.098 0.000 1.033 343 A HN 0.772 nan 8.150 nan 0.000 0.513 344 E N -0.565 119.673 120.200 0.063 0.000 2.331 344 E HA 0.412 4.763 4.350 0.001 0.000 0.272 344 E C 1.109 177.712 176.600 0.005 0.000 1.036 344 E CA 0.589 57.014 56.400 0.041 0.000 0.864 344 E CB 0.592 30.311 29.700 0.030 0.000 1.035 344 E HN 1.295 nan 8.360 nan 0.000 0.408 345 G N 1.657 110.451 108.800 -0.009 0.000 2.189 345 G HA2 -0.284 3.677 3.960 0.001 0.000 0.267 345 G HA3 -0.284 3.677 3.960 0.001 0.000 0.267 345 G C 0.162 174.990 174.900 -0.121 0.000 0.975 345 G CA 0.227 45.294 45.100 -0.055 0.000 0.644 345 G HN 0.388 nan 8.290 nan 0.000 0.537 346 V N 2.465 122.321 119.914 -0.095 0.000 2.328 346 V HA 0.573 4.693 4.120 0.001 0.000 0.278 346 V C 1.068 177.049 176.094 -0.189 0.000 1.021 346 V CA 0.010 62.195 62.300 -0.191 0.000 0.838 346 V CB 1.137 32.911 31.823 -0.082 0.000 0.999 346 V HN 0.661 nan 8.190 nan 0.000 0.447 347 T N 2.337 116.757 114.554 -0.223 0.000 2.868 347 T HA 0.226 4.577 4.350 0.001 0.000 0.292 347 T C 1.258 175.655 174.700 -0.504 0.000 1.028 347 T CA -0.298 61.656 62.100 -0.243 0.000 1.059 347 T CB 0.966 69.757 68.868 -0.130 0.000 0.991 347 T HN 0.571 nan 8.240 nan 0.000 0.531 348 M N 1.400 120.643 119.600 -0.596 0.000 2.159 348 M HA 0.030 4.511 4.480 0.001 0.000 0.263 348 M C 2.246 178.331 176.300 -0.358 0.000 1.063 348 M CA 2.212 57.055 55.300 -0.762 0.000 1.110 348 M CB -1.090 31.347 32.600 -0.271 0.000 1.374 348 M HN 0.948 nan 8.290 nan 0.000 0.411 349 G N -0.970 107.715 108.800 -0.193 0.000 2.440 349 G HA2 -0.331 3.630 3.960 0.001 0.000 0.218 349 G HA3 -0.331 3.630 3.960 0.001 0.000 0.218 349 G C 1.191 176.035 174.900 -0.093 0.000 1.154 349 G CA 1.598 46.635 45.100 -0.106 0.000 0.767 349 G HN 0.707 nan 8.290 nan 0.000 0.552 350 H N -0.312 118.642 119.070 -0.192 0.000 2.326 350 H HA -0.042 4.515 4.556 0.001 0.000 0.301 350 H C 2.577 177.808 175.328 -0.163 0.000 1.081 350 H CA 1.814 57.771 56.048 -0.152 0.000 1.334 350 H CB -0.095 29.586 29.762 -0.135 0.000 1.385 350 H HN 0.321 nan 8.280 nan 0.000 0.504 351 Q N 0.560 120.294 119.800 -0.109 0.000 2.197 351 Q HA -0.136 4.204 4.340 0.001 0.000 0.207 351 Q C 2.183 178.113 176.000 -0.116 0.000 0.984 351 Q CA 1.811 57.545 55.803 -0.115 0.000 0.869 351 Q CB -0.379 28.233 28.738 -0.210 0.000 0.906 351 Q HN 0.647 nan 8.270 nan 0.000 0.426 352 L N -1.040 120.108 121.223 -0.126 0.000 2.005 352 L HA -0.170 4.171 4.340 0.001 0.000 0.207 352 L C 2.136 178.950 176.870 -0.094 0.000 1.072 352 L CA 0.591 55.388 54.840 -0.072 0.000 0.744 352 L CB -0.564 41.463 42.059 -0.053 0.000 0.895 352 L HN 0.291 nan 8.230 nan 0.000 0.433 353 L N -0.232 120.904 121.223 -0.145 0.000 2.034 353 L HA -0.271 4.070 4.340 0.001 0.000 0.217 353 L C 2.579 179.348 176.870 -0.168 0.000 1.077 353 L CA 1.842 56.586 54.840 -0.160 0.000 0.769 353 L CB -0.993 40.934 42.059 -0.220 0.000 0.890 353 L HN 0.145 nan 8.230 nan 0.000 0.435 354 V N -0.673 119.105 119.914 -0.228 0.000 2.307 354 V HA -0.258 3.862 4.120 0.001 0.000 0.245 354 V C 2.620 178.672 176.094 -0.070 0.000 1.045 354 V CA 1.276 63.476 62.300 -0.166 0.000 1.024 354 V CB -0.553 31.174 31.823 -0.160 0.000 0.651 354 V HN 0.463 nan 8.190 nan 0.000 0.449 355 Q N -0.120 119.659 119.800 -0.035 0.000 2.096 355 Q HA -0.154 4.186 4.340 0.001 0.000 0.204 355 Q C 2.291 178.297 176.000 0.010 0.000 0.982 355 Q CA 1.612 57.423 55.803 0.014 0.000 0.850 355 Q CB -0.581 28.186 28.738 0.049 0.000 0.901 355 Q HN 0.542 nan 8.270 nan 0.000 0.422 356 L N 0.384 121.601 121.223 -0.009 0.000 2.056 356 L HA -0.180 4.161 4.340 0.001 0.000 0.207 356 L C 2.245 179.111 176.870 -0.007 0.000 1.078 356 L CA 1.175 56.014 54.840 -0.001 0.000 0.749 356 L CB -0.347 41.704 42.059 -0.013 0.000 0.901 356 L HN 0.261 nan 8.230 nan 0.000 0.433 357 E N -0.446 119.732 120.200 -0.037 0.000 2.150 357 E HA -0.151 4.200 4.350 0.001 0.000 0.193 357 E C 2.258 178.846 176.600 -0.020 0.000 0.985 357 E CA 1.308 57.683 56.400 -0.042 0.000 0.814 357 E CB 0.098 29.742 29.700 -0.094 0.000 0.752 357 E HN 0.340 nan 8.360 nan 0.000 0.466 358 S N 0.384 116.074 115.700 -0.018 0.000 2.395 358 S HA -0.037 4.433 4.470 0.001 0.000 0.225 358 S C 1.961 176.570 174.600 0.015 0.000 1.027 358 S CA 0.506 58.699 58.200 -0.012 0.000 0.965 358 S CB -0.022 63.169 63.200 -0.015 0.000 0.812 358 S HN 0.187 nan 8.310 nan 0.000 0.482 359 I N 1.812 122.404 120.570 0.036 0.000 2.202 359 I HA -0.200 3.971 4.170 0.001 0.000 0.242 359 I C 2.709 178.870 176.117 0.073 0.000 1.091 359 I CA 1.117 62.455 61.300 0.064 0.000 1.368 359 I CB -0.441 37.603 38.000 0.073 0.000 1.058 359 I HN 0.268 nan 8.210 nan 0.000 0.410 360 A N 0.986 123.841 122.820 0.058 0.000 1.877 360 A HA -0.177 4.144 4.320 0.001 0.000 0.216 360 A C 2.283 179.922 177.584 0.091 0.000 1.186 360 A CA 1.540 53.616 52.037 0.066 0.000 0.620 360 A CB -0.853 18.172 19.000 0.043 0.000 0.822 360 A HN 0.368 nan 8.150 nan 0.000 0.443 361 I N -0.495 120.128 120.570 0.090 0.000 2.179 361 I HA -0.235 3.936 4.170 0.001 0.000 0.242 361 I C 2.623 178.849 176.117 0.183 0.000 1.088 361 I CA 1.777 63.164 61.300 0.145 0.000 1.357 361 I CB -0.624 37.446 38.000 0.115 0.000 1.051 361 I HN 0.258 nan 8.210 nan 0.000 0.409 362 T N 1.132 115.750 114.554 0.108 0.000 2.708 362 T HA -0.138 4.213 4.350 0.001 0.000 0.266 362 T C 1.918 176.735 174.700 0.195 0.000 1.037 362 T CA 1.472 63.636 62.100 0.107 0.000 1.146 362 T CB -0.313 68.590 68.868 0.058 0.000 0.865 362 T HN 0.198 nan 8.240 nan 0.000 0.435 363 I N 0.756 121.430 120.570 0.173 0.000 2.091 363 I HA -0.198 3.973 4.170 0.001 0.000 0.239 363 I C 2.498 178.734 176.117 0.198 0.000 1.061 363 I CA 1.191 62.599 61.300 0.181 0.000 1.317 363 I CB -0.485 37.599 38.000 0.139 0.000 1.031 363 I HN 0.084 nan 8.210 nan 0.000 0.401 364 V N -0.083 119.939 119.914 0.180 0.000 2.358 364 V HA -0.285 3.836 4.120 0.001 0.000 0.246 364 V C 2.084 178.300 176.094 0.204 0.000 1.047 364 V CA 1.696 64.088 62.300 0.154 0.000 1.035 364 V CB -0.745 31.145 31.823 0.111 0.000 0.658 364 V HN 0.602 nan 8.190 nan 0.000 0.452 365 W N 0.738 122.081 121.300 0.071 0.000 2.333 365 W HA -0.234 4.429 4.660 0.004 0.000 0.316 365 W C 2.927 179.514 176.519 0.113 0.000 1.215 365 W CA 2.443 59.828 57.345 0.067 0.000 1.278 365 W CB -0.642 28.841 29.460 0.040 0.000 1.154 365 W HN 0.369 nan 8.180 nan 0.000 0.486 366 S N 0.174 116.185 115.700 0.520 0.000 2.368 366 S HA -0.099 4.371 4.470 0.001 0.000 0.225 366 S C 2.074 176.979 174.600 0.507 0.000 1.030 366 S CA 2.097 60.631 58.200 0.557 0.000 0.999 366 S CB -0.935 62.600 63.200 0.558 0.000 0.844 366 S HN 0.286 nan 8.310 nan 0.000 0.459 367 G N 1.029 110.042 108.800 0.355 0.000 2.459 367 G HA2 -0.177 3.784 3.960 0.001 0.000 0.217 367 G HA3 -0.177 3.784 3.960 0.001 0.000 0.217 367 G C 1.503 176.574 174.900 0.285 0.000 1.183 367 G CA 1.270 46.545 45.100 0.292 0.000 0.776 367 G HN 0.477 nan 8.290 nan 0.000 0.552 368 V N 0.454 120.474 119.914 0.177 0.000 2.343 368 V HA -0.175 3.945 4.120 0.001 0.000 0.247 368 V C 3.048 179.253 176.094 0.185 0.000 1.051 368 V CA 1.594 63.961 62.300 0.112 0.000 1.036 368 V CB -0.467 31.326 31.823 -0.050 0.000 0.654 368 V HN 0.254 nan 8.190 nan 0.000 0.451 369 V N 0.264 120.279 119.914 0.168 0.000 2.307 369 V HA -0.219 3.902 4.120 0.001 0.000 0.245 369 V C 2.746 179.053 176.094 0.355 0.000 1.045 369 V CA 1.801 64.226 62.300 0.208 0.000 1.024 369 V CB -1.238 30.690 31.823 0.175 0.000 0.651 369 V HN 0.542 nan 8.190 nan 0.000 0.449 370 A N -0.009 123.122 122.820 0.518 0.000 1.884 370 A HA -0.325 3.995 4.320 0.001 0.000 0.219 370 A C 2.148 180.012 177.584 0.467 0.000 1.197 370 A CA 2.503 54.833 52.037 0.488 0.000 0.637 370 A CB -0.896 18.410 19.000 0.509 0.000 0.827 370 A HN 0.549 nan 8.150 nan 0.000 0.450 371 F N 0.300 120.452 119.950 0.337 0.000 2.102 371 F HA -0.159 4.367 4.527 -0.001 0.000 0.298 371 F C 2.000 177.950 175.800 0.251 0.000 1.105 371 F CA 1.919 60.108 58.000 0.315 0.000 1.239 371 F CB -0.214 38.909 39.000 0.206 0.000 0.991 371 F HN 0.190 nan 8.300 nan 0.000 0.474 372 I N 0.136 120.900 120.570 0.323 0.000 2.286 372 I HA -0.225 3.946 4.170 0.001 0.000 0.248 372 I C 2.748 178.910 176.117 0.074 0.000 1.115 372 I CA 1.345 62.746 61.300 0.167 0.000 1.392 372 I CB -1.239 36.860 38.000 0.165 0.000 1.065 372 I HN 0.314 nan 8.210 nan 0.000 0.418 373 G N 0.198 109.052 108.800 0.090 0.000 2.459 373 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 373 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 373 G C 1.434 176.400 174.900 0.110 0.000 1.183 373 G CA 0.821 45.948 45.100 0.045 0.000 0.776 373 G HN 0.249 nan 8.290 nan 0.000 0.552 374 Y N 1.144 121.579 120.300 0.226 0.000 2.114 374 Y HA -0.031 4.519 4.550 0.000 0.000 0.284 374 Y C 2.907 178.755 175.900 -0.087 0.000 1.143 374 Y CA 1.289 59.411 58.100 0.037 0.000 1.135 374 Y CB -0.237 38.166 38.460 -0.095 0.000 0.980 374 Y HN -0.022 nan 8.280 nan 0.000 0.499 375 K N 0.215 120.571 120.400 -0.072 0.000 2.044 375 K HA -0.213 4.108 4.320 0.001 0.000 0.210 375 K C 2.197 178.777 176.600 -0.034 0.000 1.049 375 K CA 1.326 57.517 56.287 -0.160 0.000 0.927 375 K CB -1.128 31.165 32.500 -0.345 0.000 0.713 375 K HN 0.301 nan 8.250 nan 0.000 0.443 376 L N 1.011 122.236 121.223 0.004 0.000 1.970 376 L HA -0.188 4.153 4.340 0.001 0.000 0.212 376 L C 2.272 179.167 176.870 0.042 0.000 1.071 376 L CA 2.317 57.173 54.840 0.027 0.000 0.751 376 L CB -0.805 41.275 42.059 0.035 0.000 0.889 376 L HN 0.194 nan 8.230 nan 0.000 0.432 377 A N -0.997 121.867 122.820 0.073 0.000 1.948 377 A HA -0.303 4.017 4.320 0.001 0.000 0.220 377 A C 2.062 179.682 177.584 0.060 0.000 1.177 377 A CA 2.084 54.172 52.037 0.086 0.000 0.636 377 A CB -1.024 18.059 19.000 0.139 0.000 0.815 377 A HN 0.640 nan 8.150 nan 0.000 0.449 378 D N 0.038 120.465 120.400 0.045 0.000 2.084 378 D HA -0.083 4.558 4.640 0.001 0.000 0.196 378 D C 1.629 177.937 176.300 0.013 0.000 0.985 378 D CA 1.126 55.137 54.000 0.019 0.000 0.826 378 D CB -0.286 40.508 40.800 -0.010 0.000 0.978 378 D HN 0.396 nan 8.370 nan 0.000 0.456 379 L N -0.494 120.735 121.223 0.009 0.000 2.633 379 L HA 0.005 4.346 4.340 0.001 0.000 0.235 379 L C 1.969 178.848 176.870 0.016 0.000 1.163 379 L CA 0.557 55.403 54.840 0.010 0.000 0.859 379 L CB -0.190 41.875 42.059 0.010 0.000 0.973 379 L HN 0.111 nan 8.230 nan 0.000 0.451 380 T N -1.361 113.206 114.554 0.022 0.000 3.182 380 T HA 0.035 4.386 4.350 0.001 0.000 0.244 380 T C 1.339 176.053 174.700 0.024 0.000 0.981 380 T CA 0.946 63.060 62.100 0.023 0.000 1.182 380 T CB 0.350 69.236 68.868 0.030 0.000 1.043 380 T HN 0.140 nan 8.240 nan 0.000 0.424 381 V N -1.347 118.586 119.914 0.031 0.000 3.645 381 V HA 0.687 4.808 4.120 0.001 0.000 0.275 381 V C 0.857 176.967 176.094 0.028 0.000 1.356 381 V CA 0.346 62.664 62.300 0.031 0.000 1.051 381 V CB -0.359 31.488 31.823 0.041 0.000 0.828 381 V HN 0.695 nan 8.190 nan 0.000 0.441 382 G N 0.220 109.036 108.800 0.025 0.000 2.879 382 G HA2 -0.136 3.825 3.960 0.001 0.000 0.686 382 G HA3 -0.136 3.825 3.960 0.001 0.000 0.686 382 G C -0.310 174.603 174.900 0.022 0.000 1.115 382 G CA 0.017 45.127 45.100 0.016 0.000 0.770 382 G HN 0.287 nan 8.290 nan 0.000 0.601 383 L N 1.873 123.100 121.223 0.007 0.000 2.116 383 L HA 0.172 4.512 4.340 0.001 0.000 0.200 383 L C 2.170 179.035 176.870 -0.009 0.000 1.084 383 L CA 0.591 55.434 54.840 0.006 0.000 0.766 383 L CB -0.315 41.732 42.059 -0.021 0.000 0.930 383 L HN 0.809 nan 8.230 nan 0.000 0.453 384 R N 1.630 122.112 120.500 -0.030 0.000 2.583 384 R HA 0.059 4.400 4.340 0.001 0.000 0.274 384 R C -0.403 175.889 176.300 -0.012 0.000 0.998 384 R CA -0.174 55.905 56.100 -0.034 0.000 1.081 384 R CB -0.576 29.698 30.300 -0.042 0.000 0.940 384 R HN -0.058 nan 8.270 nan 0.000 0.413 385 V N 2.974 122.882 119.914 -0.011 0.000 2.999 385 V HA 0.076 4.197 4.120 0.001 0.000 0.307 385 V C -0.918 175.179 176.094 0.005 0.000 1.084 385 V CA -1.145 61.158 62.300 0.005 0.000 1.155 385 V CB -0.328 31.495 31.823 -0.001 0.000 0.975 385 V HN 0.819 nan 8.190 nan 0.000 0.490 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.106 63.100 0.010 0.000 0.800 386 P CB 0.000 31.710 31.700 0.017 0.000 0.726