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 2qjy_1_G DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLRTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.933 174.900 0.056 0.000 0.946 3 G CA 0.000 45.128 45.100 0.047 0.000 0.502 4 I N 1.839 122.434 120.570 0.042 0.000 2.396 4 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 4 I C -2.263 173.942 176.117 0.148 0.000 0.999 4 I CA -2.682 58.656 61.300 0.063 0.000 1.310 4 I CB 0.936 38.954 38.000 0.030 0.000 1.404 4 I HN -0.206 nan 8.210 nan 0.000 0.496 5 P HA 0.146 nan 4.420 nan 0.000 0.265 5 P C -1.223 176.233 177.300 0.260 0.000 1.222 5 P CA 0.266 63.485 63.100 0.198 0.000 0.767 5 P CB -0.059 31.710 31.700 0.116 0.000 0.801 6 H N -0.713 118.423 119.070 0.110 0.000 2.985 6 H HA 0.534 5.090 4.556 0.000 0.000 0.360 6 H C -1.217 174.208 175.328 0.162 0.000 1.221 6 H CA -1.193 54.931 56.048 0.127 0.000 1.121 6 H CB 1.294 31.137 29.762 0.135 0.000 1.854 6 H HN 0.081 nan 8.280 nan 0.000 0.551 7 D N 1.268 121.641 120.400 -0.045 0.000 2.249 7 D HA 0.102 4.742 4.640 -0.000 0.000 0.246 7 D C -0.288 176.012 176.300 -0.000 0.000 1.114 7 D CA -0.166 53.784 54.000 -0.082 0.000 0.854 7 D CB 0.962 41.775 40.800 0.022 0.000 1.132 7 D HN 0.732 nan 8.370 nan 0.000 0.461 8 H N 0.150 119.173 119.070 -0.078 0.000 2.508 8 H HA 0.286 4.842 4.556 0.000 0.000 0.344 8 H C -0.507 174.972 175.328 0.250 0.000 1.192 8 H CA -0.920 55.253 56.048 0.209 0.000 1.290 8 H CB 0.395 30.227 29.762 0.117 0.000 1.571 8 H HN 0.311 nan 8.280 nan 0.000 0.555 9 Y N 1.142 121.595 120.300 0.255 0.000 2.805 9 Y HA 0.121 4.671 4.550 0.000 0.000 0.337 9 Y C -0.109 175.672 175.900 -0.198 0.000 1.252 9 Y CA 0.802 58.723 58.100 -0.299 0.000 1.515 9 Y CB 0.375 38.632 38.460 -0.338 0.000 1.305 9 Y HN 0.915 nan 8.280 nan 0.000 0.600 10 E N 7.085 126.717 120.200 -0.948 0.000 2.290 10 E HA 0.471 4.821 4.350 -0.000 0.000 0.274 10 E C -3.019 172.889 176.600 -1.153 0.000 0.889 10 E CA -2.580 53.318 56.400 -0.836 0.000 0.760 10 E CB 1.627 31.039 29.700 -0.480 0.000 1.206 10 E HN 0.309 nan 8.360 nan 0.000 0.419 11 P HA 0.178 nan 4.420 nan 0.000 0.268 11 P C -0.202 176.912 177.300 -0.310 0.000 1.204 11 P CA -0.284 62.488 63.100 -0.546 0.000 0.768 11 P CB 0.841 32.360 31.700 -0.301 0.000 0.842 12 R N 0.838 121.230 120.500 -0.180 0.000 2.055 12 R HA 0.197 4.537 4.340 -0.000 0.000 0.190 12 R C 0.621 176.898 176.300 -0.037 0.000 1.443 12 R CA 0.703 56.741 56.100 -0.102 0.000 1.188 12 R CB -1.287 28.968 30.300 -0.076 0.000 1.068 12 R HN 0.364 nan 8.270 nan 0.000 0.475 13 T N 0.425 114.979 114.554 0.000 0.000 2.716 13 T HA 0.068 4.418 4.350 -0.000 0.000 0.335 13 T C 1.529 176.252 174.700 0.039 0.000 1.081 13 T CA 0.607 62.720 62.100 0.022 0.000 1.073 13 T CB 0.410 69.301 68.868 0.039 0.000 0.993 13 T HN 0.467 nan 8.240 nan 0.000 0.547 14 G N -0.187 108.637 108.800 0.040 0.000 2.394 14 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.214 14 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.214 14 G C 1.501 176.471 174.900 0.116 0.000 1.176 14 G CA 0.223 45.361 45.100 0.063 0.000 0.786 14 G HN 0.725 nan 8.290 nan 0.000 0.533 15 I N 0.648 121.267 120.570 0.081 0.000 2.264 15 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 15 I C 2.718 178.967 176.117 0.220 0.000 1.111 15 I CA 1.298 62.666 61.300 0.113 0.000 1.382 15 I CB -0.287 37.741 38.000 0.047 0.000 1.060 15 I HN 0.265 nan 8.210 nan 0.000 0.418 16 E N 1.060 121.362 120.200 0.170 0.000 2.051 16 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 16 E C 2.215 178.949 176.600 0.223 0.000 0.991 16 E CA 1.247 57.768 56.400 0.201 0.000 0.799 16 E CB -0.002 29.792 29.700 0.156 0.000 0.748 16 E HN 0.457 nan 8.360 nan 0.000 0.449 17 K N -0.087 120.411 120.400 0.164 0.000 2.057 17 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 17 K C 1.852 178.573 176.600 0.201 0.000 1.049 17 K CA 1.398 57.769 56.287 0.140 0.000 0.931 17 K CB -0.281 32.272 32.500 0.089 0.000 0.714 17 K HN 0.227 nan 8.250 nan 0.000 0.440 18 W N 1.629 122.964 121.300 0.059 0.000 2.355 18 W HA -0.212 4.448 4.660 0.000 0.000 0.309 18 W C 1.856 178.411 176.519 0.060 0.000 1.206 18 W CA 1.038 58.412 57.345 0.049 0.000 1.284 18 W CB -0.365 29.114 29.460 0.032 0.000 1.145 18 W HN -0.012 nan 8.180 nan 0.000 0.502 19 L N 0.278 121.706 121.223 0.342 0.000 2.017 19 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 19 L C 2.729 179.610 176.870 0.018 0.000 1.073 19 L CA 2.480 57.419 54.840 0.166 0.000 0.745 19 L CB -1.678 40.550 42.059 0.281 0.000 0.894 19 L HN 0.211 nan 8.230 nan 0.000 0.432 20 H N -0.740 118.358 119.070 0.046 0.000 2.422 20 H HA -0.094 4.463 4.556 0.000 0.000 0.298 20 H C 1.995 177.304 175.328 -0.032 0.000 1.098 20 H CA 1.560 57.634 56.048 0.043 0.000 1.315 20 H CB 0.209 30.038 29.762 0.113 0.000 1.382 20 H HN 0.564 nan 8.280 nan 0.000 0.523 21 S N -0.419 115.282 115.700 0.002 0.000 2.607 21 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 21 S C 1.828 176.309 174.600 -0.197 0.000 0.969 21 S CA 0.073 58.232 58.200 -0.069 0.000 0.927 21 S CB 0.246 63.406 63.200 -0.067 0.000 0.772 21 S HN 0.398 nan 8.310 nan 0.000 0.533 22 R N -0.682 119.654 120.500 -0.273 0.000 2.215 22 R HA 0.484 4.824 4.340 -0.000 0.000 0.190 22 R C -0.732 175.436 176.300 -0.219 0.000 0.968 22 R CA 0.047 55.970 56.100 -0.295 0.000 1.122 22 R CB 0.201 30.213 30.300 -0.480 0.000 1.151 22 R HN 0.322 nan 8.270 nan 0.000 0.582 23 L N 2.544 123.644 121.223 -0.204 0.000 2.568 23 L HA 0.361 4.701 4.340 -0.000 0.000 0.262 23 L C -2.571 174.196 176.870 -0.172 0.000 0.980 23 L CA -1.860 52.884 54.840 -0.159 0.000 0.882 23 L CB 2.077 44.072 42.059 -0.106 0.000 1.198 23 L HN -0.110 nan 8.230 nan 0.000 0.425 24 P HA 0.005 nan 4.420 nan 0.000 0.286 24 P C 1.233 178.456 177.300 -0.128 0.000 1.577 24 P CA 0.388 63.322 63.100 -0.277 0.000 0.805 24 P CB 0.006 31.503 31.700 -0.338 0.000 1.706 25 I N -0.205 120.308 120.570 -0.096 0.000 2.315 25 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 25 I C 1.900 177.967 176.117 -0.084 0.000 1.117 25 I CA 1.094 62.347 61.300 -0.078 0.000 1.404 25 I CB 0.180 38.145 38.000 -0.059 0.000 1.071 25 I HN -0.154 nan 8.210 nan 0.000 0.419 26 V N 1.295 121.158 119.914 -0.085 0.000 2.515 26 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 26 V C 2.676 178.541 176.094 -0.382 0.000 1.058 26 V CA 1.624 63.818 62.300 -0.176 0.000 1.064 26 V CB -1.077 30.669 31.823 -0.129 0.000 0.675 26 V HN 0.565 nan 8.190 nan 0.000 0.461 27 A N 0.041 122.689 122.820 -0.288 0.000 1.873 27 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 27 A C 2.159 179.737 177.584 -0.010 0.000 1.186 27 A CA 2.008 53.919 52.037 -0.210 0.000 0.616 27 A CB -0.577 18.584 19.000 0.268 0.000 0.823 27 A HN 0.442 nan 8.150 nan 0.000 0.442 28 L N -0.126 121.083 121.223 -0.022 0.000 2.042 28 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 28 L C 2.687 179.544 176.870 -0.021 0.000 1.076 28 L CA 2.257 57.086 54.840 -0.019 0.000 0.749 28 L CB -0.790 41.225 42.059 -0.073 0.000 0.893 28 L HN 0.357 nan 8.230 nan 0.000 0.432 29 A N -1.301 121.491 122.820 -0.046 0.000 1.883 29 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 29 A C 2.317 179.909 177.584 0.014 0.000 1.186 29 A CA 1.991 54.007 52.037 -0.035 0.000 0.624 29 A CB -1.294 17.672 19.000 -0.056 0.000 0.822 29 A HN 0.663 nan 8.150 nan 0.000 0.444 30 Y N 1.232 121.460 120.300 -0.121 0.000 2.097 30 Y HA -0.237 4.313 4.550 0.000 0.000 0.282 30 Y C 1.779 177.739 175.900 0.100 0.000 1.152 30 Y CA 2.211 60.283 58.100 -0.047 0.000 1.136 30 Y CB -0.243 38.117 38.460 -0.166 0.000 0.975 30 Y HN 0.350 nan 8.280 nan 0.000 0.498 31 D N -0.850 119.662 120.400 0.186 0.000 2.263 31 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 31 D C 1.928 178.269 176.300 0.068 0.000 0.971 31 D CA 1.635 55.737 54.000 0.170 0.000 0.867 31 D CB -0.184 40.787 40.800 0.285 0.000 0.929 31 D HN 0.431 nan 8.370 nan 0.000 0.492 32 T N 0.504 115.080 114.554 0.037 0.000 2.901 32 T HA -0.014 4.336 4.350 -0.000 0.000 0.252 32 T C 1.860 176.685 174.700 0.208 0.000 1.035 32 T CA -0.039 62.083 62.100 0.037 0.000 1.142 32 T CB 0.091 68.899 68.868 -0.099 0.000 0.869 32 T HN 0.029 nan 8.240 nan 0.000 0.442 33 I N 0.909 121.579 120.570 0.167 0.000 2.830 33 I HA 0.088 4.258 4.170 -0.000 0.000 0.263 33 I C 1.430 177.738 176.117 0.319 0.000 1.230 33 I CA 1.038 62.519 61.300 0.302 0.000 1.480 33 I CB -0.217 37.847 38.000 0.107 0.000 1.095 33 I HN 0.107 nan 8.210 nan 0.000 0.455 34 M N -0.405 119.260 119.600 0.107 0.000 2.414 34 M HA 0.254 4.734 4.480 -0.000 0.000 0.251 34 M C 0.923 177.325 176.300 0.171 0.000 1.116 34 M CA -0.258 55.090 55.300 0.079 0.000 1.056 34 M CB -0.572 31.859 32.600 -0.282 0.000 1.388 34 M HN 0.066 nan 8.290 nan 0.000 0.487 35 I N 5.081 125.755 120.570 0.174 0.000 3.076 35 I HA -0.083 4.087 4.170 -0.000 0.000 0.321 35 I C -1.757 174.443 176.117 0.139 0.000 1.216 35 I CA -0.529 60.828 61.300 0.095 0.000 1.460 35 I CB 0.721 38.764 38.000 0.072 0.000 1.313 35 I HN -0.013 nan 8.210 nan 0.000 0.546 36 P HA 0.095 nan 4.420 nan 0.000 0.271 36 P C -1.112 176.232 177.300 0.073 0.000 1.233 36 P CA -0.045 63.116 63.100 0.101 0.000 0.764 36 P CB 0.544 32.291 31.700 0.079 0.000 0.825 37 T N 5.964 120.600 114.554 0.137 0.000 2.807 37 T HA 0.376 4.726 4.350 -0.000 0.000 0.279 37 T C -2.476 172.262 174.700 0.062 0.000 0.993 37 T CA -1.959 60.199 62.100 0.096 0.000 0.970 37 T CB 0.979 69.990 68.868 0.238 0.000 0.950 37 T HN 0.270 nan 8.240 nan 0.000 0.441 38 P HA 0.026 nan 4.420 nan 0.000 0.261 38 P C 0.450 177.671 177.300 -0.130 0.000 1.165 38 P CA 0.160 63.165 63.100 -0.158 0.000 0.759 38 P CB 0.734 32.285 31.700 -0.247 0.000 0.772 39 R N 2.722 123.063 120.500 -0.265 0.000 2.189 39 R HA -0.105 4.235 4.340 -0.000 0.000 0.223 39 R C 1.576 177.586 176.300 -0.482 0.000 1.092 39 R CA 1.244 57.030 56.100 -0.524 0.000 0.989 39 R CB -0.442 29.106 30.300 -1.254 0.000 0.876 39 R HN 0.581 nan 8.270 nan 0.000 0.457 40 N N 1.103 119.597 118.700 -0.343 0.000 2.383 40 N HA -0.031 4.709 4.740 -0.000 0.000 0.192 40 N C 0.041 175.345 175.510 -0.344 0.000 1.141 40 N CA 0.130 53.048 53.050 -0.220 0.000 0.851 40 N CB -0.048 38.361 38.487 -0.129 0.000 0.976 40 N HN 0.132 nan 8.380 nan 0.000 0.465 41 L N 1.685 122.613 121.223 -0.493 0.000 2.514 41 L HA -0.023 4.317 4.340 -0.000 0.000 0.280 41 L C 0.560 177.169 176.870 -0.435 0.000 1.223 41 L CA -0.134 54.198 54.840 -0.847 0.000 0.864 41 L CB -0.129 41.277 42.059 -1.087 0.000 1.118 41 L HN 0.292 nan 8.230 nan 0.000 0.494 42 N N 0.421 118.921 118.700 -0.334 0.000 2.741 42 N HA 0.187 4.927 4.740 -0.000 0.000 0.310 42 N C 0.231 175.849 175.510 0.180 0.000 1.295 42 N CA -0.823 52.166 53.050 -0.102 0.000 0.893 42 N CB 0.155 38.663 38.487 0.036 0.000 1.247 42 N HN 0.530 nan 8.380 nan 0.000 0.596 43 W N -1.057 120.376 121.300 0.222 0.000 2.436 43 W HA -0.042 4.618 4.660 -0.000 0.000 0.261 43 W C 1.153 177.799 176.519 0.211 0.000 1.222 43 W CA -0.006 57.446 57.345 0.180 0.000 1.191 43 W CB -0.045 29.511 29.460 0.160 0.000 1.132 43 W HN 0.333 nan 8.180 nan 0.000 0.596 44 M N -1.392 118.578 119.600 0.616 0.000 2.618 44 M HA -0.053 4.427 4.480 -0.000 0.000 0.240 44 M C 0.880 177.421 176.300 0.402 0.000 1.123 44 M CA 0.695 56.352 55.300 0.595 0.000 1.060 44 M CB -0.802 32.127 32.600 0.549 0.000 1.535 44 M HN 0.282 nan 8.290 nan 0.000 0.507 45 W N 0.568 121.947 121.300 0.131 0.000 3.316 45 W HA 0.148 4.808 4.660 0.000 0.000 0.327 45 W C 1.474 178.000 176.519 0.012 0.000 1.232 45 W CA 0.155 57.524 57.345 0.040 0.000 1.805 45 W CB 0.221 29.615 29.460 -0.111 0.000 1.090 45 W HN 0.238 nan 8.180 nan 0.000 0.654 46 I N -4.003 116.592 120.570 0.042 0.000 3.427 46 I HA 0.022 4.192 4.170 -0.000 0.000 0.288 46 I C 1.603 177.552 176.117 -0.280 0.000 1.249 46 I CA 0.515 61.727 61.300 -0.147 0.000 1.421 46 I CB -0.634 37.169 38.000 -0.327 0.000 1.086 46 I HN -0.216 nan 8.210 nan 0.000 0.448 47 W N 2.210 123.586 121.300 0.126 0.000 2.465 47 W HA 0.114 4.774 4.660 0.000 0.000 0.268 47 W C 2.551 179.007 176.519 -0.105 0.000 1.242 47 W CA 0.826 58.201 57.345 0.051 0.000 1.248 47 W CB -0.537 28.995 29.460 0.120 0.000 1.118 47 W HN 0.196 nan 8.180 nan 0.000 0.587 48 G N 0.116 108.931 108.800 0.024 0.000 2.408 48 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 48 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 48 G C 1.470 176.385 174.900 0.024 0.000 1.150 48 G CA 1.246 46.267 45.100 -0.132 0.000 0.776 48 G HN 0.156 nan 8.290 nan 0.000 0.542 49 V N 0.429 120.389 119.914 0.076 0.000 2.453 49 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 49 V C 2.997 179.149 176.094 0.097 0.000 1.048 49 V CA 1.156 63.526 62.300 0.118 0.000 1.049 49 V CB 0.088 31.995 31.823 0.140 0.000 0.672 49 V HN 0.239 nan 8.190 nan 0.000 0.457 50 V N -0.148 119.803 119.914 0.061 0.000 2.490 50 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 50 V C 2.237 178.390 176.094 0.099 0.000 1.061 50 V CA 1.792 64.144 62.300 0.087 0.000 1.064 50 V CB -0.496 31.421 31.823 0.156 0.000 0.670 50 V HN 0.445 nan 8.190 nan 0.000 0.461 51 L N -0.067 121.201 121.223 0.075 0.000 2.072 51 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 51 L C 2.734 179.565 176.870 -0.065 0.000 1.079 51 L CA 1.442 56.303 54.840 0.036 0.000 0.752 51 L CB -0.762 41.336 42.059 0.065 0.000 0.906 51 L HN 0.332 nan 8.230 nan 0.000 0.436 52 A N -0.071 122.763 122.820 0.023 0.000 1.877 52 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 52 A C 2.192 179.744 177.584 -0.052 0.000 1.186 52 A CA 1.669 53.718 52.037 0.020 0.000 0.620 52 A CB -0.895 18.171 19.000 0.110 0.000 0.822 52 A HN 0.406 nan 8.150 nan 0.000 0.443 53 F N 0.451 120.334 119.950 -0.112 0.000 2.095 53 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 53 F C 2.474 178.121 175.800 -0.255 0.000 1.104 53 F CA 1.700 59.622 58.000 -0.130 0.000 1.232 53 F CB -0.719 38.226 39.000 -0.091 0.000 0.987 53 F HN 0.300 nan 8.300 nan 0.000 0.475 54 C N 0.184 119.255 119.300 -0.382 0.000 2.413 54 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 54 C C 2.700 177.130 174.990 -0.934 0.000 1.248 54 C CA 1.071 59.649 59.018 -0.733 0.000 1.742 54 C CB -1.508 25.651 27.740 -0.970 0.000 2.017 54 C HN 0.653 nan 8.230 nan 0.000 0.481 55 L N 0.842 121.538 121.223 -0.879 0.000 2.012 55 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 55 L C 2.483 179.098 176.870 -0.425 0.000 1.073 55 L CA 1.978 56.455 54.840 -0.605 0.000 0.748 55 L CB -0.832 41.054 42.059 -0.289 0.000 0.891 55 L HN 0.213 nan 8.230 nan 0.000 0.431 56 V N -0.510 119.165 119.914 -0.399 0.000 2.295 56 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 56 V C 2.518 178.379 176.094 -0.389 0.000 1.049 56 V CA 1.701 63.801 62.300 -0.332 0.000 1.024 56 V CB -0.781 30.868 31.823 -0.291 0.000 0.648 56 V HN 0.542 nan 8.190 nan 0.000 0.447 57 L N 0.108 120.970 121.223 -0.602 0.000 2.012 57 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 57 L C 2.520 179.244 176.870 -0.243 0.000 1.073 57 L CA 2.016 56.570 54.840 -0.477 0.000 0.748 57 L CB -0.772 40.920 42.059 -0.611 0.000 0.891 57 L HN 0.258 nan 8.230 nan 0.000 0.431 58 Q N -0.268 119.362 119.800 -0.283 0.000 2.084 58 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 58 Q C 2.404 178.375 176.000 -0.049 0.000 0.978 58 Q CA 2.140 57.873 55.803 -0.117 0.000 0.844 58 Q CB -0.360 28.242 28.738 -0.228 0.000 0.898 58 Q HN 0.637 nan 8.270 nan 0.000 0.426 59 I N 0.403 120.861 120.570 -0.187 0.000 2.202 59 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 59 I C 2.401 178.430 176.117 -0.145 0.000 1.091 59 I CA 1.188 62.358 61.300 -0.217 0.000 1.368 59 I CB -0.445 37.396 38.000 -0.264 0.000 1.058 59 I HN 0.080 nan 8.210 nan 0.000 0.410 60 V N -0.789 119.058 119.914 -0.111 0.000 2.358 60 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 60 V C 2.503 178.563 176.094 -0.056 0.000 1.047 60 V CA 2.227 64.489 62.300 -0.063 0.000 1.035 60 V CB -1.697 30.098 31.823 -0.046 0.000 0.658 60 V HN 0.577 nan 8.190 nan 0.000 0.452 61 T N -1.570 112.958 114.554 -0.043 0.000 2.915 61 T HA 0.051 4.401 4.350 -0.000 0.000 0.269 61 T C 2.019 176.604 174.700 -0.191 0.000 1.071 61 T CA 1.395 63.471 62.100 -0.040 0.000 1.132 61 T CB -0.975 67.934 68.868 0.068 0.000 0.878 61 T HN 0.700 nan 8.240 nan 0.000 0.479 62 G N 1.731 110.374 108.800 -0.262 0.000 2.414 62 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.215 62 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.215 62 G C 1.513 176.229 174.900 -0.306 0.000 1.188 62 G CA 0.686 45.511 45.100 -0.459 0.000 0.783 62 G HN 0.543 nan 8.290 nan 0.000 0.537 63 I N 0.366 120.804 120.570 -0.219 0.000 2.194 63 I HA -0.199 3.971 4.170 -0.000 0.000 0.246 63 I C 2.792 178.899 176.117 -0.016 0.000 1.093 63 I CA 0.609 61.850 61.300 -0.099 0.000 1.355 63 I CB -0.238 37.771 38.000 0.015 0.000 1.046 63 I HN 0.037 nan 8.210 nan 0.000 0.413 64 V N 0.808 120.710 119.914 -0.021 0.000 2.295 64 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 64 V C 2.361 178.509 176.094 0.090 0.000 1.049 64 V CA 1.742 64.066 62.300 0.040 0.000 1.024 64 V CB -0.400 31.445 31.823 0.036 0.000 0.648 64 V HN 0.353 nan 8.190 nan 0.000 0.447 65 L N 0.090 121.316 121.223 0.005 0.000 2.083 65 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 65 L C 2.612 179.561 176.870 0.132 0.000 1.083 65 L CA 1.561 56.428 54.840 0.044 0.000 0.752 65 L CB -0.711 41.269 42.059 -0.132 0.000 0.899 65 L HN 0.362 nan 8.230 nan 0.000 0.433 66 A N -0.671 122.210 122.820 0.101 0.000 2.125 66 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 66 A C 2.228 179.930 177.584 0.197 0.000 1.156 66 A CA 1.344 53.544 52.037 0.271 0.000 0.671 66 A CB -0.485 18.708 19.000 0.323 0.000 0.794 66 A HN 0.406 nan 8.150 nan 0.000 0.459 67 M N -1.386 118.245 119.600 0.051 0.000 2.492 67 M HA -0.023 4.457 4.480 -0.000 0.000 0.262 67 M C 1.082 177.157 176.300 -0.376 0.000 1.090 67 M CA 0.912 56.111 55.300 -0.168 0.000 1.110 67 M CB -0.079 32.339 32.600 -0.303 0.000 1.407 67 M HN 0.476 nan 8.290 nan 0.000 0.470 68 H N -2.816 116.328 119.070 0.123 0.000 2.893 68 H HA 0.169 4.725 4.556 -0.000 0.000 0.270 68 H C -0.589 174.828 175.328 0.148 0.000 1.095 68 H CA -0.144 55.988 56.048 0.141 0.000 1.186 68 H CB 0.393 30.238 29.762 0.139 0.000 1.562 68 H HN 0.222 nan 8.280 nan 0.000 0.536 69 Y N 2.401 122.746 120.300 0.074 0.000 2.310 69 Y HA 0.295 4.845 4.550 -0.000 0.000 0.326 69 Y C -0.277 175.539 175.900 -0.140 0.000 1.151 69 Y CA -0.376 57.718 58.100 -0.010 0.000 1.195 69 Y CB 1.150 39.606 38.460 -0.007 0.000 1.210 69 Y HN -0.204 nan 8.280 nan 0.000 0.483 70 T N 8.729 122.638 114.554 -1.074 0.000 2.809 70 T HA 0.270 4.620 4.350 -0.000 0.000 0.296 70 T C -2.774 171.229 174.700 -1.161 0.000 1.015 70 T CA -1.521 60.065 62.100 -0.857 0.000 0.954 70 T CB 1.159 69.749 68.868 -0.463 0.000 0.950 70 T HN 0.449 nan 8.240 nan 0.000 0.450 71 P HA 0.142 nan 4.420 nan 0.000 0.231 71 P C -0.706 176.417 177.300 -0.294 0.000 1.811 71 P CA -0.020 62.784 63.100 -0.493 0.000 1.051 71 P CB -0.138 31.332 31.700 -0.382 0.000 1.951 72 H N 1.897 120.705 119.070 -0.436 0.000 2.954 72 H HA 0.090 4.646 4.556 -0.000 0.000 0.361 72 H C 1.084 176.149 175.328 -0.439 0.000 1.122 72 H CA -0.432 55.390 56.048 -0.377 0.000 1.217 72 H CB 2.836 32.426 29.762 -0.287 0.000 1.776 72 H HN -0.070 nan 8.280 nan 0.000 0.533 73 V N 1.254 120.682 119.914 -0.810 0.000 2.453 73 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 73 V C 1.149 177.125 176.094 -0.197 0.000 1.068 73 V CA 2.209 64.077 62.300 -0.720 0.000 1.070 73 V CB -0.119 31.344 31.823 -0.600 0.000 0.664 73 V HN 0.572 nan 8.190 nan 0.000 0.461 74 D N 0.012 120.461 120.400 0.081 0.000 2.323 74 D HA 0.165 4.805 4.640 -0.000 0.000 0.209 74 D C 1.773 178.111 176.300 0.064 0.000 0.973 74 D CA 1.119 55.189 54.000 0.117 0.000 0.874 74 D CB 0.445 41.335 40.800 0.150 0.000 0.930 74 D HN 0.531 nan 8.370 nan 0.000 0.521 75 L N -0.576 120.668 121.223 0.035 0.000 2.840 75 L HA 0.327 4.667 4.340 -0.000 0.000 0.249 75 L C 2.173 179.002 176.870 -0.067 0.000 1.119 75 L CA 0.074 54.889 54.840 -0.041 0.000 0.930 75 L CB 0.151 42.132 42.059 -0.131 0.000 1.295 75 L HN -0.177 nan 8.230 nan 0.000 0.534 76 A N 0.907 123.667 122.820 -0.100 0.000 1.873 76 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 76 A C 2.101 179.789 177.584 0.173 0.000 1.193 76 A CA 1.977 53.964 52.037 -0.083 0.000 0.629 76 A CB -0.806 18.171 19.000 -0.039 0.000 0.826 76 A HN 0.371 nan 8.150 nan 0.000 0.447 77 F N 0.628 120.653 119.950 0.126 0.000 2.113 77 F HA -0.008 4.519 4.527 0.000 0.000 0.297 77 F C 2.593 178.467 175.800 0.124 0.000 1.103 77 F CA 1.208 59.307 58.000 0.164 0.000 1.248 77 F CB -0.409 38.701 39.000 0.183 0.000 0.999 77 F HN 0.252 nan 8.300 nan 0.000 0.475 78 A N -0.435 122.588 122.820 0.339 0.000 1.940 78 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 78 A C 2.356 180.015 177.584 0.126 0.000 1.176 78 A CA 2.168 54.334 52.037 0.216 0.000 0.631 78 A CB -1.455 17.628 19.000 0.138 0.000 0.814 78 A HN 0.511 nan 8.150 nan 0.000 0.446 79 S N -0.622 115.125 115.700 0.077 0.000 2.423 79 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 79 S C 1.702 176.397 174.600 0.157 0.000 1.014 79 S CA 1.468 59.718 58.200 0.083 0.000 0.965 79 S CB -0.532 62.626 63.200 -0.071 0.000 0.785 79 S HN 0.256 nan 8.310 nan 0.000 0.495 80 V N 1.548 121.523 119.914 0.101 0.000 2.719 80 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 80 V C 2.867 178.948 176.094 -0.023 0.000 1.065 80 V CA 1.473 63.800 62.300 0.045 0.000 1.086 80 V CB -0.564 31.235 31.823 -0.040 0.000 0.700 80 V HN 0.419 nan 8.190 nan 0.000 0.467 81 E N -0.076 120.108 120.200 -0.027 0.000 2.152 81 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 81 E C 2.101 178.734 176.600 0.056 0.000 0.983 81 E CA 1.302 57.703 56.400 0.003 0.000 0.818 81 E CB -0.251 29.479 29.700 0.051 0.000 0.758 81 E HN 0.838 nan 8.360 nan 0.000 0.467 82 H N 0.715 119.789 119.070 0.008 0.000 2.353 82 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 82 H C 2.079 177.401 175.328 -0.009 0.000 1.090 82 H CA 1.724 57.778 56.048 0.009 0.000 1.327 82 H CB -0.288 29.485 29.762 0.018 0.000 1.383 82 H HN 0.055 nan 8.280 nan 0.000 0.508 83 I N -0.124 120.362 120.570 -0.141 0.000 2.163 83 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 83 I C 2.090 178.099 176.117 -0.179 0.000 1.085 83 I CA 1.150 62.316 61.300 -0.224 0.000 1.347 83 I CB -0.256 37.706 38.000 -0.063 0.000 1.044 83 I HN 0.367 nan 8.210 nan 0.000 0.408 84 M N 0.112 119.655 119.600 -0.096 0.000 2.117 84 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 84 M C 2.347 178.649 176.300 0.004 0.000 1.065 84 M CA 1.899 57.174 55.300 -0.042 0.000 1.114 84 M CB -1.090 31.482 32.600 -0.047 0.000 1.361 84 M HN 0.226 nan 8.290 nan 0.000 0.408 85 R N -0.868 119.611 120.500 -0.036 0.000 2.128 85 R HA 0.061 4.401 4.340 -0.000 0.000 0.211 85 R C 1.785 178.058 176.300 -0.046 0.000 1.067 85 R CA 0.699 56.785 56.100 -0.024 0.000 1.010 85 R CB 0.035 30.333 30.300 -0.002 0.000 0.922 85 R HN 0.378 nan 8.270 nan 0.000 0.457 86 N N 0.083 118.700 118.700 -0.137 0.000 2.499 86 N HA 0.034 4.774 4.740 -0.000 0.000 0.182 86 N C 0.262 175.650 175.510 -0.202 0.000 1.034 86 N CA 0.325 53.281 53.050 -0.157 0.000 0.882 86 N CB 0.237 38.624 38.487 -0.167 0.000 1.125 86 N HN -0.121 nan 8.380 nan 0.000 0.436 87 V N 3.729 123.430 119.914 -0.356 0.000 2.585 87 V HA -0.008 4.112 4.120 -0.000 0.000 0.296 87 V C 0.231 176.218 176.094 -0.177 0.000 1.035 87 V CA -0.518 61.572 62.300 -0.349 0.000 1.084 87 V CB 0.118 31.578 31.823 -0.605 0.000 0.953 87 V HN 0.227 nan 8.190 nan 0.000 0.483 88 N N 4.342 122.969 118.700 -0.121 0.000 2.414 88 N HA 0.102 4.842 4.740 -0.000 0.000 0.268 88 N C 1.261 176.719 175.510 -0.087 0.000 1.286 88 N CA 1.128 54.150 53.050 -0.046 0.000 0.896 88 N CB 0.725 39.200 38.487 -0.020 0.000 1.093 88 N HN 1.125 nan 8.380 nan 0.000 0.480 89 G N 1.557 110.316 108.800 -0.067 0.000 2.155 89 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 89 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 89 G C 1.220 175.836 174.900 -0.473 0.000 0.983 89 G CA 0.658 45.565 45.100 -0.321 0.000 0.676 89 G HN 0.720 nan 8.290 nan 0.000 0.528 90 G N 1.056 109.688 108.800 -0.280 0.000 2.459 90 G HA2 0.032 3.992 3.960 -0.000 0.000 0.217 90 G HA3 0.032 3.992 3.960 -0.000 0.000 0.217 90 G C 1.576 176.307 174.900 -0.282 0.000 1.183 90 G CA 1.604 46.552 45.100 -0.255 0.000 0.776 90 G HN 1.176 nan 8.290 nan 0.000 0.552 91 F N 0.562 120.429 119.950 -0.138 0.000 2.091 91 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 91 F C 2.425 178.152 175.800 -0.121 0.000 1.103 91 F CA 1.833 59.721 58.000 -0.188 0.000 1.228 91 F CB -0.734 38.207 39.000 -0.098 0.000 0.984 91 F HN 0.168 nan 8.300 nan 0.000 0.477 92 M N 0.674 119.570 119.600 -1.174 0.000 2.229 92 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 92 M C 1.875 178.049 176.300 -0.210 0.000 1.063 92 M CA 1.571 56.548 55.300 -0.539 0.000 1.114 92 M CB -0.484 31.701 32.600 -0.692 0.000 1.387 92 M HN 0.317 nan 8.290 nan 0.000 0.420 93 L N -1.011 120.062 121.223 -0.251 0.000 2.109 93 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 93 L C 2.735 179.591 176.870 -0.024 0.000 1.086 93 L CA 0.888 55.669 54.840 -0.098 0.000 0.760 93 L CB -0.765 41.227 42.059 -0.112 0.000 0.910 93 L HN 0.285 nan 8.230 nan 0.000 0.437 94 R N -0.056 120.394 120.500 -0.083 0.000 2.070 94 R HA -0.197 4.143 4.340 -0.000 0.000 0.233 94 R C 2.362 178.712 176.300 0.084 0.000 1.137 94 R CA 1.878 57.953 56.100 -0.042 0.000 0.945 94 R CB -0.616 29.580 30.300 -0.172 0.000 0.845 94 R HN 0.229 nan 8.270 nan 0.000 0.430 95 Y N 1.097 121.441 120.300 0.074 0.000 2.256 95 Y HA -0.136 4.414 4.550 -0.000 0.000 0.288 95 Y C 2.370 178.306 175.900 0.060 0.000 1.155 95 Y CA 0.830 58.978 58.100 0.079 0.000 1.203 95 Y CB -0.576 37.920 38.460 0.060 0.000 0.980 95 Y HN 0.036 nan 8.280 nan 0.000 0.530 96 L N -1.512 119.828 121.223 0.195 0.000 2.093 96 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 96 L C 2.383 179.413 176.870 0.267 0.000 1.085 96 L CA 1.537 56.479 54.840 0.170 0.000 0.755 96 L CB -0.467 41.666 42.059 0.124 0.000 0.904 96 L HN 0.223 nan 8.230 nan 0.000 0.435 97 H N -0.296 118.849 119.070 0.124 0.000 2.326 97 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 97 H C 2.094 177.516 175.328 0.158 0.000 1.081 97 H CA 1.444 57.553 56.048 0.102 0.000 1.334 97 H CB 0.087 29.882 29.762 0.055 0.000 1.385 97 H HN 0.288 nan 8.280 nan 0.000 0.504 98 A N 0.647 123.608 122.820 0.234 0.000 1.835 98 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 98 A C 2.239 179.972 177.584 0.249 0.000 1.199 98 A CA 1.740 53.914 52.037 0.228 0.000 0.615 98 A CB -0.634 18.544 19.000 0.297 0.000 0.838 98 A HN 0.567 nan 8.150 nan 0.000 0.444 99 N N -0.025 118.855 118.700 0.301 0.000 2.453 99 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 99 N C 1.681 177.472 175.510 0.469 0.000 1.041 99 N CA 1.058 54.336 53.050 0.379 0.000 0.900 99 N CB -0.300 38.363 38.487 0.294 0.000 0.961 99 N HN 0.540 nan 8.380 nan 0.000 0.443 100 G N 0.735 109.733 108.800 0.331 0.000 2.422 100 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 100 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 100 G C 1.681 176.593 174.900 0.021 0.000 1.140 100 G CA 0.797 45.948 45.100 0.085 0.000 0.775 100 G HN 0.362 nan 8.290 nan 0.000 0.545 101 A N 0.885 123.741 122.820 0.060 0.000 1.902 101 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 101 A C 2.695 180.362 177.584 0.138 0.000 1.181 101 A CA 2.208 54.275 52.037 0.050 0.000 0.623 101 A CB -0.585 18.436 19.000 0.035 0.000 0.818 101 A HN 0.294 nan 8.150 nan 0.000 0.443 102 S N -0.544 115.361 115.700 0.341 0.000 2.368 102 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 102 S C 1.875 176.800 174.600 0.543 0.000 1.029 102 S CA 1.407 59.989 58.200 0.637 0.000 0.988 102 S CB -0.427 63.248 63.200 0.791 0.000 0.838 102 S HN 0.518 nan 8.310 nan 0.000 0.462 103 L N 0.990 122.403 121.223 0.317 0.000 2.083 103 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 103 L C 1.900 178.870 176.870 0.166 0.000 1.083 103 L CA 1.665 56.606 54.840 0.170 0.000 0.752 103 L CB -0.814 41.139 42.059 -0.177 0.000 0.899 103 L HN 0.200 nan 8.230 nan 0.000 0.433 104 F N -0.452 119.420 119.950 -0.131 0.000 2.126 104 F HA -0.221 4.306 4.527 0.000 0.000 0.299 104 F C 2.122 177.659 175.800 -0.439 0.000 1.096 104 F CA 1.426 59.233 58.000 -0.323 0.000 1.255 104 F CB -0.781 37.924 39.000 -0.492 0.000 0.997 104 F HN 0.130 nan 8.300 nan 0.000 0.479 105 F N -0.269 119.642 119.950 -0.065 0.000 2.234 105 F HA -0.043 4.484 4.527 0.000 0.000 0.296 105 F C 2.438 178.263 175.800 0.041 0.000 1.089 105 F CA 0.781 58.621 58.000 -0.267 0.000 1.343 105 F CB -0.766 37.913 39.000 -0.535 0.000 1.040 105 F HN -0.165 nan 8.300 nan 0.000 0.498 106 I N -0.130 120.767 120.570 0.545 0.000 2.208 106 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 106 I C 2.602 178.800 176.117 0.135 0.000 1.097 106 I CA 1.392 62.972 61.300 0.467 0.000 1.363 106 I CB -0.772 37.418 38.000 0.316 0.000 1.051 106 I HN 0.110 nan 8.210 nan 0.000 0.413 107 A N 0.653 123.528 122.820 0.092 0.000 1.898 107 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 107 A C 2.367 179.960 177.584 0.014 0.000 1.181 107 A CA 1.860 53.923 52.037 0.043 0.000 0.620 107 A CB -0.920 18.233 19.000 0.254 0.000 0.819 107 A HN 0.346 nan 8.150 nan 0.000 0.442 108 V N -3.507 116.369 119.914 -0.064 0.000 2.427 108 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 108 V C 2.300 178.393 176.094 -0.001 0.000 1.051 108 V CA 1.602 63.847 62.300 -0.090 0.000 1.048 108 V CB -1.562 30.078 31.823 -0.305 0.000 0.666 108 V HN 0.484 nan 8.190 nan 0.000 0.456 109 Y N 0.822 121.211 120.300 0.148 0.000 2.200 109 Y HA 0.021 4.571 4.550 0.000 0.000 0.290 109 Y C 2.371 178.355 175.900 0.139 0.000 1.137 109 Y CA 1.005 59.199 58.100 0.156 0.000 1.163 109 Y CB -0.825 37.798 38.460 0.272 0.000 0.988 109 Y HN 0.183 nan 8.280 nan 0.000 0.518 110 L N -1.349 119.917 121.223 0.073 0.000 2.093 110 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 110 L C 2.424 179.303 176.870 0.015 0.000 1.085 110 L CA 1.618 56.362 54.840 -0.160 0.000 0.755 110 L CB -0.593 40.892 42.059 -0.957 0.000 0.904 110 L HN 0.231 nan 8.230 nan 0.000 0.435 111 H N 0.351 119.399 119.070 -0.038 0.000 2.321 111 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 111 H C 2.168 177.555 175.328 0.099 0.000 1.087 111 H CA 1.851 57.953 56.048 0.090 0.000 1.319 111 H CB -0.021 29.805 29.762 0.106 0.000 1.379 111 H HN 0.163 nan 8.280 nan 0.000 0.501 112 I N -0.758 119.871 120.570 0.098 0.000 2.179 112 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 112 I C 1.749 177.906 176.117 0.066 0.000 1.088 112 I CA 1.208 62.514 61.300 0.012 0.000 1.357 112 I CB -0.310 37.628 38.000 -0.103 0.000 1.051 112 I HN 0.196 nan 8.210 nan 0.000 0.409 113 F N 0.553 120.574 119.950 0.118 0.000 2.234 113 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 113 F C 2.618 178.570 175.800 0.253 0.000 1.087 113 F CA 1.113 59.218 58.000 0.175 0.000 1.340 113 F CB -0.403 38.631 39.000 0.057 0.000 1.031 113 F HN -0.031 nan 8.300 nan 0.000 0.500 114 R N 1.090 121.782 120.500 0.319 0.000 2.081 114 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 114 R C 2.335 178.792 176.300 0.262 0.000 1.131 114 R CA 1.741 58.004 56.100 0.271 0.000 0.960 114 R CB -1.399 28.971 30.300 0.117 0.000 0.856 114 R HN 0.363 nan 8.270 nan 0.000 0.436 115 G N 1.105 110.010 108.800 0.174 0.000 2.408 115 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 115 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 115 G C 1.762 176.848 174.900 0.311 0.000 1.150 115 G CA 0.532 45.767 45.100 0.226 0.000 0.776 115 G HN 0.311 nan 8.290 nan 0.000 0.542 116 L N -1.126 120.299 121.223 0.336 0.000 2.131 116 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 116 L C 2.548 179.685 176.870 0.445 0.000 1.092 116 L CA 0.997 56.074 54.840 0.395 0.000 0.759 116 L CB -0.315 41.914 42.059 0.284 0.000 0.903 116 L HN 0.319 nan 8.230 nan 0.000 0.435 117 Y N -0.794 119.538 120.300 0.052 0.000 2.286 117 Y HA -0.189 4.361 4.550 -0.000 0.000 0.293 117 Y C 1.713 177.307 175.900 -0.509 0.000 1.124 117 Y CA 1.317 59.112 58.100 -0.508 0.000 1.178 117 Y CB 0.042 37.851 38.460 -1.085 0.000 1.010 117 Y HN 0.052 nan 8.280 nan 0.000 0.536 118 Y N -0.066 120.173 120.300 -0.101 0.000 2.468 118 Y HA 0.313 4.863 4.550 0.000 0.000 0.268 118 Y C 1.624 177.348 175.900 -0.293 0.000 1.177 118 Y CA 0.046 58.044 58.100 -0.169 0.000 1.265 118 Y CB 0.166 38.681 38.460 0.090 0.000 1.103 118 Y HN 0.177 nan 8.280 nan 0.000 0.522 119 G N 0.047 108.658 108.800 -0.315 0.000 2.273 119 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.280 119 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.280 119 G C 1.003 175.507 174.900 -0.660 0.000 1.047 119 G CA 0.695 45.323 45.100 -0.787 0.000 0.869 119 G HN 0.378 nan 8.290 nan 0.000 0.502 120 S N -0.970 114.542 115.700 -0.313 0.000 2.547 120 S HA -0.003 4.467 4.470 -0.000 0.000 0.235 120 S C 1.712 176.234 174.600 -0.131 0.000 0.980 120 S CA 1.467 59.585 58.200 -0.137 0.000 0.941 120 S CB -0.287 62.905 63.200 -0.014 0.000 0.763 120 S HN 0.974 nan 8.310 nan 0.000 0.532 121 Y N 0.705 120.863 120.300 -0.237 0.000 2.497 121 Y HA 0.454 5.004 4.550 -0.000 0.000 0.265 121 Y C 0.394 176.076 175.900 -0.364 0.000 1.111 121 Y CA -0.894 56.979 58.100 -0.378 0.000 1.288 121 Y CB -0.365 37.370 38.460 -1.209 0.000 1.082 121 Y HN -0.080 nan 8.280 nan 0.000 0.536 122 K N 1.754 121.701 120.400 -0.754 0.000 2.219 122 K HA 0.452 4.772 4.320 -0.000 0.000 0.258 122 K C 0.402 176.828 176.600 -0.291 0.000 1.008 122 K CA -0.064 55.921 56.287 -0.504 0.000 0.928 122 K CB 0.586 32.757 32.500 -0.549 0.000 0.983 122 K HN 0.296 nan 8.250 nan 0.000 0.484 123 A N 2.979 125.656 122.820 -0.238 0.000 2.609 123 A HA 0.005 4.325 4.320 -0.000 0.000 0.232 123 A C -1.396 176.115 177.584 -0.121 0.000 1.041 123 A CA -0.492 51.455 52.037 -0.150 0.000 0.753 123 A CB -0.365 18.560 19.000 -0.125 0.000 0.966 123 A HN 0.585 nan 8.150 nan 0.000 0.510 124 P HA 0.135 nan 4.420 nan 0.000 0.254 124 P C 0.119 177.402 177.300 -0.029 0.000 1.494 124 P CA 0.106 63.176 63.100 -0.049 0.000 0.961 124 P CB 0.108 31.790 31.700 -0.031 0.000 1.493 125 R N 0.233 120.709 120.500 -0.040 0.000 2.449 125 R HA 0.131 4.471 4.340 -0.000 0.000 0.262 125 R C 0.960 177.308 176.300 0.080 0.000 1.006 125 R CA 0.001 56.113 56.100 0.021 0.000 1.104 125 R CB -0.067 30.244 30.300 0.019 0.000 1.206 125 R HN 0.150 nan 8.270 nan 0.000 0.538 126 E N 0.395 120.618 120.200 0.037 0.000 2.110 126 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 126 E C 1.751 178.503 176.600 0.253 0.000 0.988 126 E CA 1.123 57.578 56.400 0.091 0.000 0.804 126 E CB -0.004 29.686 29.700 -0.016 0.000 0.745 126 E HN 0.054 nan 8.360 nan 0.000 0.458 127 V N 0.927 120.953 119.914 0.187 0.000 2.358 127 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 127 V C 2.137 178.359 176.094 0.213 0.000 1.047 127 V CA 2.162 64.570 62.300 0.179 0.000 1.035 127 V CB -0.932 30.939 31.823 0.081 0.000 0.658 127 V HN 0.344 nan 8.190 nan 0.000 0.452 128 T N -0.678 114.005 114.554 0.214 0.000 2.665 128 T HA -0.288 4.062 4.350 -0.000 0.000 0.268 128 T C 1.575 176.500 174.700 0.376 0.000 1.035 128 T CA 1.993 64.257 62.100 0.274 0.000 1.151 128 T CB -0.418 68.578 68.868 0.212 0.000 0.862 128 T HN 0.704 nan 8.240 nan 0.000 0.438 129 W N 1.506 122.913 121.300 0.180 0.000 2.358 129 W HA -0.102 4.558 4.660 -0.000 0.000 0.303 129 W C 1.891 178.509 176.519 0.166 0.000 1.208 129 W CA 0.940 58.386 57.345 0.169 0.000 1.274 129 W CB -0.482 29.061 29.460 0.139 0.000 1.138 129 W HN 0.254 nan 8.180 nan 0.000 0.515 130 I N 0.219 120.949 120.570 0.266 0.000 2.252 130 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 130 I C 2.359 178.509 176.117 0.054 0.000 1.102 130 I CA 1.141 62.540 61.300 0.165 0.000 1.385 130 I CB -0.893 37.266 38.000 0.265 0.000 1.064 130 I HN -0.279 nan 8.210 nan 0.000 0.414 131 V N 0.928 120.906 119.914 0.107 0.000 2.343 131 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 131 V C 2.589 178.654 176.094 -0.047 0.000 1.051 131 V CA 2.187 64.535 62.300 0.079 0.000 1.036 131 V CB -1.484 30.448 31.823 0.183 0.000 0.654 131 V HN 0.587 nan 8.190 nan 0.000 0.451 132 G N -0.625 108.113 108.800 -0.105 0.000 2.440 132 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 132 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 132 G C 1.529 176.259 174.900 -0.284 0.000 1.154 132 G CA 1.030 45.936 45.100 -0.323 0.000 0.767 132 G HN 0.311 nan 8.290 nan 0.000 0.552 133 M N 0.183 119.599 119.600 -0.306 0.000 2.159 133 M HA 0.113 4.593 4.480 -0.000 0.000 0.263 133 M C 2.612 178.888 176.300 -0.040 0.000 1.063 133 M CA 0.836 56.022 55.300 -0.191 0.000 1.110 133 M CB -1.046 31.452 32.600 -0.169 0.000 1.374 133 M HN 0.209 nan 8.290 nan 0.000 0.411 134 L N -0.750 120.448 121.223 -0.043 0.000 2.056 134 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 134 L C 2.349 179.197 176.870 -0.036 0.000 1.078 134 L CA 0.942 55.773 54.840 -0.015 0.000 0.749 134 L CB -0.538 41.522 42.059 0.002 0.000 0.901 134 L HN 0.207 nan 8.230 nan 0.000 0.433 135 I N -1.342 119.184 120.570 -0.072 0.000 2.226 135 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 135 I C 2.562 178.621 176.117 -0.097 0.000 1.100 135 I CA 1.424 62.664 61.300 -0.100 0.000 1.374 135 I CB -0.399 37.503 38.000 -0.164 0.000 1.057 135 I HN 0.190 nan 8.210 nan 0.000 0.413 136 Y N 1.570 121.748 120.300 -0.204 0.000 2.165 136 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 136 Y C 2.268 178.108 175.900 -0.101 0.000 1.155 136 Y CA 1.547 59.538 58.100 -0.181 0.000 1.164 136 Y CB -0.390 37.975 38.460 -0.158 0.000 0.978 136 Y HN 0.034 nan 8.280 nan 0.000 0.513 137 L N -0.722 120.418 121.223 -0.139 0.000 2.046 137 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 137 L C 2.760 179.551 176.870 -0.132 0.000 1.077 137 L CA 1.198 55.936 54.840 -0.170 0.000 0.747 137 L CB -0.959 41.078 42.059 -0.036 0.000 0.896 137 L HN 0.293 nan 8.230 nan 0.000 0.432 138 A N -0.326 122.438 122.820 -0.094 0.000 1.902 138 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 138 A C 2.308 179.835 177.584 -0.095 0.000 1.181 138 A CA 1.723 53.720 52.037 -0.067 0.000 0.623 138 A CB -0.486 18.480 19.000 -0.056 0.000 0.818 138 A HN 0.323 nan 8.150 nan 0.000 0.443 139 M N -1.200 118.288 119.600 -0.188 0.000 2.080 139 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 139 M C 2.448 178.730 176.300 -0.029 0.000 1.068 139 M CA 1.928 57.067 55.300 -0.269 0.000 1.109 139 M CB -0.448 31.790 32.600 -0.603 0.000 1.342 139 M HN 0.446 nan 8.290 nan 0.000 0.405 140 M N -0.597 118.988 119.600 -0.026 0.000 2.086 140 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 140 M C 2.453 178.888 176.300 0.224 0.000 1.067 140 M CA 1.756 57.147 55.300 0.151 0.000 1.116 140 M CB -0.590 31.934 32.600 -0.126 0.000 1.348 140 M HN 0.372 nan 8.290 nan 0.000 0.407 141 A N -0.135 122.750 122.820 0.108 0.000 1.933 141 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 141 A C 2.175 179.865 177.584 0.177 0.000 1.175 141 A CA 2.134 54.279 52.037 0.180 0.000 0.628 141 A CB -1.064 17.995 19.000 0.100 0.000 0.814 141 A HN 0.454 nan 8.150 nan 0.000 0.444 142 T N 0.328 114.952 114.554 0.117 0.000 2.674 142 T HA -0.033 4.317 4.350 -0.000 0.000 0.265 142 T C 2.256 177.093 174.700 0.229 0.000 1.039 142 T CA 1.716 63.904 62.100 0.147 0.000 1.150 142 T CB -0.500 68.395 68.868 0.046 0.000 0.864 142 T HN 0.591 nan 8.240 nan 0.000 0.427 143 A N 1.151 124.095 122.820 0.206 0.000 1.972 143 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 143 A C 2.007 179.727 177.584 0.226 0.000 1.169 143 A CA 1.427 53.579 52.037 0.191 0.000 0.635 143 A CB -0.886 18.196 19.000 0.135 0.000 0.810 143 A HN 0.527 nan 8.150 nan 0.000 0.446 144 F N 0.435 120.516 119.950 0.218 0.000 2.084 144 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 144 F C 2.149 178.001 175.800 0.086 0.000 1.111 144 F CA 1.971 60.114 58.000 0.237 0.000 1.224 144 F CB -0.563 38.544 39.000 0.178 0.000 0.991 144 F HN 0.158 nan 8.300 nan 0.000 0.471 145 M N 0.460 119.632 119.600 -0.714 0.000 2.159 145 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 145 M C 2.486 178.468 176.300 -0.530 0.000 1.063 145 M CA 1.644 56.437 55.300 -0.845 0.000 1.110 145 M CB -1.343 30.899 32.600 -0.596 0.000 1.374 145 M HN 0.394 nan 8.290 nan 0.000 0.411 146 G N -0.683 107.716 108.800 -0.667 0.000 2.446 146 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 146 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 146 G C 1.305 176.047 174.900 -0.263 0.000 1.168 146 G CA 0.629 45.174 45.100 -0.924 0.000 0.771 146 G HN 0.392 nan 8.290 nan 0.000 0.551 147 Y N 1.133 121.316 120.300 -0.196 0.000 2.384 147 Y HA -0.087 4.463 4.550 -0.000 0.000 0.289 147 Y C 2.766 178.661 175.900 -0.009 0.000 1.152 147 Y CA 0.904 58.972 58.100 -0.053 0.000 1.258 147 Y CB 0.004 38.483 38.460 0.031 0.000 0.979 147 Y HN 0.065 nan 8.280 nan 0.000 0.549 148 V N -0.350 119.539 119.914 -0.042 0.000 2.719 148 V HA -0.260 3.860 4.120 -0.000 0.000 0.252 148 V C 2.333 178.544 176.094 0.195 0.000 1.065 148 V CA 1.266 63.613 62.300 0.078 0.000 1.086 148 V CB -0.612 31.333 31.823 0.204 0.000 0.700 148 V HN 0.361 nan 8.190 nan 0.000 0.467 149 L N 0.242 121.508 121.223 0.072 0.000 2.043 149 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 149 L C 0.020 177.037 176.870 0.245 0.000 1.075 149 L CA 1.880 56.788 54.840 0.114 0.000 0.752 149 L CB -2.117 39.817 42.059 -0.209 0.000 0.891 149 L HN 0.363 nan 8.230 nan 0.000 0.432 150 P HA -0.234 nan 4.420 nan 0.000 0.221 150 P C 0.296 177.853 177.300 0.428 0.000 1.145 150 P CA 0.993 64.194 63.100 0.168 0.000 0.795 150 P CB -0.074 31.599 31.700 -0.045 0.000 0.775 151 W N -0.864 120.511 121.300 0.124 0.000 5.361 151 W HA -0.161 4.499 4.660 -0.000 0.000 0.385 151 W C 0.223 176.871 176.519 0.215 0.000 1.458 151 W CA -0.006 57.434 57.345 0.158 0.000 0.922 151 W CB -1.382 28.177 29.460 0.165 0.000 2.606 151 W HN -0.053 nan 8.180 nan 0.000 1.450 152 G N 0.394 109.311 108.800 0.195 0.000 2.532 152 G HA2 0.206 4.166 3.960 -0.000 0.000 0.291 152 G HA3 0.206 4.166 3.960 -0.000 0.000 0.291 152 G C 0.574 175.437 174.900 -0.061 0.000 1.349 152 G CA 0.076 45.270 45.100 0.156 0.000 1.038 152 G HN 0.180 nan 8.290 nan 0.000 0.518 153 Q N -0.937 118.860 119.800 -0.005 0.000 2.050 153 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 153 Q C 2.780 178.848 176.000 0.113 0.000 0.980 153 Q CA 1.124 56.963 55.803 0.060 0.000 0.840 153 Q CB -0.284 28.524 28.738 0.116 0.000 0.898 153 Q HN 0.441 nan 8.270 nan 0.000 0.424 154 M N 0.206 119.824 119.600 0.030 0.000 2.159 154 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 154 M C 2.192 178.539 176.300 0.079 0.000 1.063 154 M CA 1.125 56.468 55.300 0.072 0.000 1.110 154 M CB -1.122 31.538 32.600 0.099 0.000 1.374 154 M HN 0.023 nan 8.290 nan 0.000 0.411 155 S N 0.557 116.190 115.700 -0.113 0.000 2.353 155 S HA -0.146 4.324 4.470 -0.000 0.000 0.222 155 S C 1.747 176.266 174.600 -0.134 0.000 1.035 155 S CA 1.289 59.409 58.200 -0.134 0.000 1.025 155 S CB -0.520 62.592 63.200 -0.148 0.000 0.902 155 S HN 0.419 nan 8.310 nan 0.000 0.440 156 F N 0.704 120.342 119.950 -0.520 0.000 2.075 156 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 156 F C 1.857 177.296 175.800 -0.602 0.000 1.113 156 F CA 1.363 58.866 58.000 -0.829 0.000 1.218 156 F CB -0.465 37.816 39.000 -1.198 0.000 0.984 156 F HN 0.239 nan 8.300 nan 0.000 0.472 157 W N 0.097 121.393 121.300 -0.007 0.000 2.436 157 W HA 0.046 4.706 4.660 -0.000 0.000 0.284 157 W C 2.627 179.135 176.519 -0.017 0.000 1.225 157 W CA 0.992 58.321 57.345 -0.026 0.000 1.271 157 W CB -1.092 28.395 29.460 0.045 0.000 1.114 157 W HN 0.109 nan 8.180 nan 0.000 0.559 158 G N 0.232 109.161 108.800 0.215 0.000 2.422 158 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 158 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 158 G C 1.638 176.711 174.900 0.288 0.000 1.140 158 G CA 1.137 46.386 45.100 0.250 0.000 0.775 158 G HN 0.285 nan 8.290 nan 0.000 0.545 159 A N 0.221 123.185 122.820 0.241 0.000 1.929 159 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 159 A C 2.505 180.159 177.584 0.116 0.000 1.176 159 A CA 2.258 54.508 52.037 0.354 0.000 0.628 159 A CB -0.811 18.288 19.000 0.166 0.000 0.816 159 A HN 0.263 nan 8.150 nan 0.000 0.444 160 T N -0.302 114.172 114.554 -0.134 0.000 2.684 160 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 160 T C 1.892 176.637 174.700 0.075 0.000 1.036 160 T CA 1.739 63.775 62.100 -0.107 0.000 1.148 160 T CB -0.399 68.386 68.868 -0.139 0.000 0.863 160 T HN 0.136 nan 8.240 nan 0.000 0.436 161 V N 0.921 120.906 119.914 0.118 0.000 2.358 161 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 161 V C 2.326 178.456 176.094 0.060 0.000 1.047 161 V CA 1.446 63.810 62.300 0.107 0.000 1.035 161 V CB -0.491 31.398 31.823 0.109 0.000 0.658 161 V HN 0.436 nan 8.190 nan 0.000 0.452 162 I N 0.705 121.278 120.570 0.004 0.000 2.394 162 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 162 I C 2.563 178.762 176.117 0.136 0.000 1.136 162 I CA 1.864 63.092 61.300 -0.121 0.000 1.425 162 I CB -0.498 37.082 38.000 -0.700 0.000 1.079 162 I HN 0.478 nan 8.210 nan 0.000 0.425 163 T N -2.046 112.648 114.554 0.233 0.000 2.995 163 T HA 0.003 4.353 4.350 -0.000 0.000 0.269 163 T C 2.019 176.917 174.700 0.329 0.000 1.091 163 T CA 0.786 63.094 62.100 0.347 0.000 1.128 163 T CB -0.840 68.187 68.868 0.265 0.000 0.891 163 T HN 0.400 nan 8.240 nan 0.000 0.492 164 G N 1.745 110.669 108.800 0.206 0.000 2.422 164 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.218 164 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.218 164 G C 1.456 176.439 174.900 0.139 0.000 1.140 164 G CA 0.487 45.685 45.100 0.164 0.000 0.775 164 G HN 0.509 nan 8.290 nan 0.000 0.545 165 L N -0.589 120.687 121.223 0.089 0.000 2.043 165 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 165 L C 2.631 179.409 176.870 -0.154 0.000 1.075 165 L CA 1.143 55.949 54.840 -0.056 0.000 0.752 165 L CB -0.514 41.431 42.059 -0.190 0.000 0.891 165 L HN 0.168 nan 8.230 nan 0.000 0.432 166 F N -0.239 119.770 119.950 0.099 0.000 2.365 166 F HA -0.041 4.486 4.527 -0.000 0.000 0.300 166 F C 2.436 178.276 175.800 0.067 0.000 1.090 166 F CA 0.978 59.022 58.000 0.074 0.000 1.408 166 F CB -1.003 38.050 39.000 0.088 0.000 1.060 166 F HN 0.009 nan 8.300 nan 0.000 0.534 167 G N -0.469 108.462 108.800 0.219 0.000 2.559 167 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.216 167 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.216 167 G C 1.729 176.671 174.900 0.069 0.000 1.126 167 G CA 0.644 45.841 45.100 0.161 0.000 0.778 167 G HN 0.416 nan 8.290 nan 0.000 0.543 168 A N 0.018 122.864 122.820 0.044 0.000 2.169 168 A HA 0.410 4.730 4.320 -0.000 0.000 0.212 168 A C 1.010 178.462 177.584 -0.219 0.000 1.153 168 A CA -0.282 51.754 52.037 -0.002 0.000 0.756 168 A CB -0.063 19.013 19.000 0.126 0.000 0.813 168 A HN 0.314 nan 8.150 nan 0.000 0.471 169 I N 1.711 122.166 120.570 -0.191 0.000 2.598 169 I HA 0.102 4.272 4.170 -0.000 0.000 0.284 169 I C -2.260 173.620 176.117 -0.395 0.000 1.140 169 I CA -1.720 59.351 61.300 -0.381 0.000 1.420 169 I CB 0.845 38.771 38.000 -0.123 0.000 1.387 169 I HN 0.050 nan 8.210 nan 0.000 0.553 170 P HA 0.066 nan 4.420 nan 0.000 0.268 170 P C 0.824 178.013 177.300 -0.184 0.000 1.204 170 P CA 0.698 63.588 63.100 -0.350 0.000 0.768 170 P CB 0.850 32.326 31.700 -0.373 0.000 0.842 171 G N 3.676 112.407 108.800 -0.115 0.000 5.452 171 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.310 171 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.310 171 G C 1.039 175.915 174.900 -0.039 0.000 1.392 171 G CA 0.509 45.569 45.100 -0.067 0.000 0.942 171 G HN 0.605 nan 8.290 nan 0.000 0.776 172 I N 0.500 121.041 120.570 -0.048 0.000 2.761 172 I HA 0.340 4.510 4.170 -0.000 0.000 0.261 172 I C 2.565 178.686 176.117 0.007 0.000 1.198 172 I CA 1.528 62.810 61.300 -0.029 0.000 1.482 172 I CB -0.986 36.985 38.000 -0.049 0.000 1.100 172 I HN 0.541 nan 8.210 nan 0.000 0.445 173 G N 1.657 110.459 108.800 0.004 0.000 2.703 173 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.222 173 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.222 173 G C 1.659 176.646 174.900 0.145 0.000 1.183 173 G CA 1.743 46.878 45.100 0.058 0.000 0.775 173 G HN 0.671 nan 8.290 nan 0.000 0.615 174 H N 0.068 119.152 119.070 0.023 0.000 2.387 174 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 174 H C 2.819 178.184 175.328 0.061 0.000 1.099 174 H CA 1.287 57.361 56.048 0.044 0.000 1.315 174 H CB 0.155 29.933 29.762 0.025 0.000 1.380 174 H HN 0.402 nan 8.280 nan 0.000 0.513 175 S N 0.295 116.008 115.700 0.022 0.000 2.355 175 S HA -0.099 4.371 4.470 -0.000 0.000 0.222 175 S C 2.248 176.869 174.600 0.034 0.000 1.031 175 S CA 1.058 59.232 58.200 -0.044 0.000 0.993 175 S CB -0.093 63.081 63.200 -0.043 0.000 0.859 175 S HN 0.350 nan 8.310 nan 0.000 0.453 176 I N 1.463 122.071 120.570 0.064 0.000 2.264 176 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 176 I C 2.773 179.033 176.117 0.238 0.000 1.111 176 I CA 1.297 62.678 61.300 0.135 0.000 1.382 176 I CB -0.367 37.709 38.000 0.126 0.000 1.060 176 I HN 0.387 nan 8.210 nan 0.000 0.418 177 Q N 0.447 120.366 119.800 0.200 0.000 2.079 177 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 177 Q C 2.126 178.205 176.000 0.133 0.000 0.974 177 Q CA 1.999 57.921 55.803 0.198 0.000 0.840 177 Q CB 0.058 28.930 28.738 0.222 0.000 0.898 177 Q HN 0.416 nan 8.270 nan 0.000 0.430 178 T N -0.127 114.467 114.554 0.066 0.000 2.788 178 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 178 T C 0.849 175.605 174.700 0.094 0.000 1.044 178 T CA 1.247 63.358 62.100 0.018 0.000 1.139 178 T CB -0.396 68.408 68.868 -0.107 0.000 0.867 178 T HN 0.534 nan 8.240 nan 0.000 0.454 179 W N 1.692 122.959 121.300 -0.055 0.000 2.355 179 W HA 0.007 4.667 4.660 -0.000 0.000 0.309 179 W C 1.668 178.170 176.519 -0.027 0.000 1.206 179 W CA 0.771 58.090 57.345 -0.042 0.000 1.284 179 W CB -0.548 28.885 29.460 -0.045 0.000 1.145 179 W HN 0.151 nan 8.180 nan 0.000 0.502 180 L N 0.146 121.385 121.223 0.026 0.000 2.131 180 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 180 L C 2.336 179.126 176.870 -0.134 0.000 1.092 180 L CA 1.064 55.811 54.840 -0.156 0.000 0.759 180 L CB -0.738 41.326 42.059 0.009 0.000 0.903 180 L HN 0.074 nan 8.230 nan 0.000 0.435 181 L N -0.926 120.253 121.223 -0.073 0.000 2.270 181 L HA 0.109 4.449 4.340 -0.000 0.000 0.210 181 L C 1.623 178.414 176.870 -0.131 0.000 1.104 181 L CA 0.663 55.441 54.840 -0.102 0.000 0.804 181 L CB -0.465 41.572 42.059 -0.036 0.000 0.937 181 L HN 0.453 nan 8.230 nan 0.000 0.450 182 G N -0.035 108.694 108.800 -0.118 0.000 2.153 182 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.252 182 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.252 182 G C 0.411 175.276 174.900 -0.059 0.000 0.994 182 G CA 0.154 45.190 45.100 -0.107 0.000 0.698 182 G HN 0.740 nan 8.290 nan 0.000 0.521 183 G N -1.666 107.112 108.800 -0.037 0.000 2.321 183 G HA2 0.692 4.652 3.960 -0.000 0.000 0.296 183 G HA3 0.692 4.652 3.960 -0.000 0.000 0.296 183 G C -1.731 173.172 174.900 0.004 0.000 1.287 183 G CA 0.402 45.493 45.100 -0.015 0.000 0.846 183 G HN 0.329 nan 8.290 nan 0.000 0.508 184 P HA 0.303 nan 4.420 nan 0.000 0.233 184 P C 0.522 177.858 177.300 0.061 0.000 1.167 184 P CA 1.635 64.767 63.100 0.053 0.000 0.770 184 P CB 0.565 32.299 31.700 0.058 0.000 0.837 185 A N -1.092 121.753 122.820 0.040 0.000 2.588 185 A HA 0.470 4.790 4.320 -0.000 0.000 0.290 185 A C -1.093 176.489 177.584 -0.004 0.000 1.136 185 A CA -0.581 51.478 52.037 0.036 0.000 0.681 185 A CB 1.044 20.091 19.000 0.079 0.000 1.282 185 A HN -0.195 nan 8.150 nan 0.000 0.421 186 V N 2.238 122.105 119.914 -0.078 0.000 2.479 186 V HA 0.349 4.469 4.120 -0.000 0.000 0.281 186 V C -0.017 176.156 176.094 0.132 0.000 1.031 186 V CA 0.877 63.097 62.300 -0.134 0.000 1.038 186 V CB 0.435 31.910 31.823 -0.580 0.000 0.981 186 V HN 0.903 nan 8.190 nan 0.000 0.478 187 D N 3.049 123.527 120.400 0.130 0.000 3.009 187 D HA 0.182 4.822 4.640 -0.000 0.000 0.318 187 D C 0.921 177.199 176.300 -0.036 0.000 1.273 187 D CA -0.646 53.452 54.000 0.165 0.000 1.001 187 D CB 1.273 42.105 40.800 0.054 0.000 1.411 187 D HN 0.271 nan 8.370 nan 0.000 0.577 188 N N -0.162 118.430 118.700 -0.179 0.000 2.104 188 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 188 N C 1.529 176.866 175.510 -0.287 0.000 1.024 188 N CA 2.346 55.172 53.050 -0.372 0.000 0.853 188 N CB -0.212 38.009 38.487 -0.442 0.000 1.008 188 N HN 0.352 nan 8.380 nan 0.000 0.424 189 A N -0.874 121.829 122.820 -0.195 0.000 1.986 189 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 189 A C 2.219 179.668 177.584 -0.225 0.000 1.171 189 A CA 2.192 54.127 52.037 -0.171 0.000 0.640 189 A CB -1.136 17.787 19.000 -0.129 0.000 0.811 189 A HN 0.465 nan 8.150 nan 0.000 0.451 190 T N -0.140 114.248 114.554 -0.277 0.000 2.770 190 T HA -0.088 4.262 4.350 -0.000 0.000 0.263 190 T C 1.833 176.174 174.700 -0.598 0.000 1.039 190 T CA 1.311 63.121 62.100 -0.483 0.000 1.142 190 T CB -0.383 68.215 68.868 -0.450 0.000 0.868 190 T HN 0.320 nan 8.240 nan 0.000 0.435 191 L N 1.885 122.864 121.223 -0.405 0.000 2.017 191 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 191 L C 2.017 178.828 176.870 -0.099 0.000 1.073 191 L CA 1.783 56.443 54.840 -0.300 0.000 0.745 191 L CB -1.085 40.589 42.059 -0.643 0.000 0.894 191 L HN 0.251 nan 8.230 nan 0.000 0.432 192 N N -0.716 117.901 118.700 -0.138 0.000 2.069 192 N HA -0.261 4.479 4.740 -0.000 0.000 0.191 192 N C 1.969 177.540 175.510 0.101 0.000 1.031 192 N CA 1.460 54.506 53.050 -0.007 0.000 0.852 192 N CB -0.108 38.338 38.487 -0.068 0.000 1.018 192 N HN 0.480 nan 8.380 nan 0.000 0.423 193 R N -0.670 119.844 120.500 0.023 0.000 2.153 193 R HA -0.045 4.295 4.340 -0.000 0.000 0.218 193 R C 1.283 177.747 176.300 0.273 0.000 1.072 193 R CA 0.819 56.971 56.100 0.088 0.000 0.990 193 R CB -0.456 29.835 30.300 -0.016 0.000 0.889 193 R HN 0.167 nan 8.270 nan 0.000 0.452 194 F N 0.896 120.862 119.950 0.026 0.000 2.206 194 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 194 F C 2.037 177.896 175.800 0.098 0.000 1.090 194 F CA -0.135 57.876 58.000 0.019 0.000 1.323 194 F CB -0.903 38.079 39.000 -0.030 0.000 1.028 194 F HN -0.060 nan 8.300 nan 0.000 0.492 195 F N 0.409 120.507 119.950 0.247 0.000 2.075 195 F HA -0.224 4.303 4.527 -0.000 0.000 0.297 195 F C 2.790 178.738 175.800 0.248 0.000 1.113 195 F CA 1.826 59.965 58.000 0.233 0.000 1.218 195 F CB -0.971 38.173 39.000 0.241 0.000 0.984 195 F HN -0.065 nan 8.300 nan 0.000 0.472 196 S N 0.239 116.004 115.700 0.108 0.000 2.370 196 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 196 S C 2.146 176.745 174.600 -0.001 0.000 1.033 196 S CA 1.759 59.959 58.200 -0.001 0.000 1.011 196 S CB -0.599 62.646 63.200 0.075 0.000 0.852 196 S HN 0.446 nan 8.310 nan 0.000 0.457 197 L N 0.182 121.434 121.223 0.050 0.000 2.156 197 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 197 L C 2.534 179.419 176.870 0.023 0.000 1.095 197 L CA 1.398 56.259 54.840 0.034 0.000 0.770 197 L CB -0.586 41.488 42.059 0.025 0.000 0.914 197 L HN 0.423 nan 8.230 nan 0.000 0.439 198 H N -1.065 117.949 119.070 -0.092 0.000 2.423 198 H HA -0.223 4.333 4.556 0.000 0.000 0.297 198 H C 2.007 177.255 175.328 -0.133 0.000 1.075 198 H CA 1.591 57.564 56.048 -0.124 0.000 1.342 198 H CB 0.004 29.686 29.762 -0.134 0.000 1.395 198 H HN 0.234 nan 8.280 nan 0.000 0.530 199 Y N -0.102 120.002 120.300 -0.327 0.000 2.184 199 Y HA -0.099 4.451 4.550 -0.000 0.000 0.290 199 Y C 2.334 178.174 175.900 -0.101 0.000 1.129 199 Y CA 1.374 59.292 58.100 -0.303 0.000 1.144 199 Y CB -0.695 37.556 38.460 -0.348 0.000 0.995 199 Y HN 0.342 nan 8.280 nan 0.000 0.513 200 L N -0.262 121.086 121.223 0.210 0.000 2.027 200 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 200 L C 2.157 179.119 176.870 0.153 0.000 1.074 200 L CA 1.611 56.587 54.840 0.227 0.000 0.745 200 L CB -0.937 41.186 42.059 0.107 0.000 0.898 200 L HN 0.239 nan 8.230 nan 0.000 0.433 201 L N -0.237 121.001 121.223 0.025 0.000 2.043 201 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 201 L C -0.058 176.768 176.870 -0.072 0.000 1.075 201 L CA 1.626 56.458 54.840 -0.013 0.000 0.752 201 L CB -2.025 40.015 42.059 -0.032 0.000 0.891 201 L HN 0.281 nan 8.230 nan 0.000 0.432 202 P HA -0.176 nan 4.420 nan 0.000 0.219 202 P C 1.346 178.447 177.300 -0.332 0.000 1.146 202 P CA 1.455 64.363 63.100 -0.319 0.000 0.808 202 P CB -0.010 31.382 31.700 -0.512 0.000 0.779 203 F N -1.613 118.330 119.950 -0.012 0.000 2.293 203 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 203 F C 2.263 178.066 175.800 0.005 0.000 1.089 203 F CA 0.798 58.799 58.000 0.003 0.000 1.377 203 F CB -1.357 37.651 39.000 0.014 0.000 1.051 203 F HN -0.264 nan 8.300 nan 0.000 0.511 204 V N 0.260 120.261 119.914 0.146 0.000 2.307 204 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 204 V C 2.336 178.463 176.094 0.054 0.000 1.045 204 V CA 1.599 63.954 62.300 0.092 0.000 1.024 204 V CB -0.539 31.323 31.823 0.065 0.000 0.651 204 V HN 0.251 nan 8.190 nan 0.000 0.449 205 I N 0.595 121.173 120.570 0.014 0.000 2.163 205 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 205 I C 2.714 178.846 176.117 0.025 0.000 1.085 205 I CA 1.657 62.956 61.300 -0.001 0.000 1.347 205 I CB -0.661 37.321 38.000 -0.031 0.000 1.044 205 I HN 0.299 nan 8.210 nan 0.000 0.408 206 A N 0.752 123.586 122.820 0.023 0.000 1.917 206 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 206 A C 2.536 180.168 177.584 0.080 0.000 1.182 206 A CA 2.149 54.216 52.037 0.049 0.000 0.633 206 A CB -0.907 18.129 19.000 0.060 0.000 0.819 206 A HN 0.471 nan 8.150 nan 0.000 0.448 207 A N -0.382 122.493 122.820 0.092 0.000 1.902 207 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 207 A C 2.179 179.820 177.584 0.096 0.000 1.181 207 A CA 1.495 53.586 52.037 0.091 0.000 0.623 207 A CB -0.602 18.452 19.000 0.089 0.000 0.818 207 A HN 0.479 nan 8.150 nan 0.000 0.443 208 L N -0.555 120.718 121.223 0.083 0.000 2.083 208 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 208 L C 2.468 179.412 176.870 0.123 0.000 1.083 208 L CA 0.919 55.812 54.840 0.088 0.000 0.752 208 L CB -0.534 41.551 42.059 0.044 0.000 0.899 208 L HN 0.234 nan 8.230 nan 0.000 0.433 209 V N 0.129 120.109 119.914 0.110 0.000 2.490 209 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 209 V C 2.720 178.941 176.094 0.211 0.000 1.061 209 V CA 1.700 64.102 62.300 0.170 0.000 1.064 209 V CB -0.767 31.136 31.823 0.133 0.000 0.670 209 V HN 0.486 nan 8.190 nan 0.000 0.461 210 A N 0.027 122.936 122.820 0.149 0.000 1.902 210 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 210 A C 2.145 179.841 177.584 0.186 0.000 1.181 210 A CA 1.835 53.945 52.037 0.122 0.000 0.623 210 A CB -0.468 18.577 19.000 0.076 0.000 0.818 210 A HN 0.514 nan 8.150 nan 0.000 0.443 211 I N -1.457 119.252 120.570 0.233 0.000 2.315 211 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 211 I C 2.480 178.762 176.117 0.274 0.000 1.117 211 I CA 1.602 63.086 61.300 0.306 0.000 1.404 211 I CB -0.489 37.655 38.000 0.241 0.000 1.071 211 I HN 0.497 nan 8.210 nan 0.000 0.419 212 H N 1.528 120.694 119.070 0.159 0.000 2.319 212 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 212 H C 2.138 177.564 175.328 0.163 0.000 1.092 212 H CA 1.983 58.152 56.048 0.202 0.000 1.302 212 H CB -0.142 29.761 29.762 0.235 0.000 1.373 212 H HN 0.201 nan 8.280 nan 0.000 0.497 213 I N -1.027 119.588 120.570 0.075 0.000 2.226 213 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 213 I C 2.212 178.013 176.117 -0.527 0.000 1.100 213 I CA 1.090 62.080 61.300 -0.517 0.000 1.374 213 I CB -0.411 37.503 38.000 -0.143 0.000 1.057 213 I HN 0.403 nan 8.210 nan 0.000 0.413 214 W N 2.161 123.275 121.300 -0.310 0.000 2.335 214 W HA -0.245 4.415 4.660 0.000 0.000 0.311 214 W C 2.589 179.013 176.519 -0.159 0.000 1.213 214 W CA 1.698 58.918 57.345 -0.209 0.000 1.274 214 W CB -0.763 28.635 29.460 -0.103 0.000 1.148 214 W HN 0.138 nan 8.180 nan 0.000 0.498 215 A N 0.710 123.490 122.820 -0.066 0.000 1.865 215 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 215 A C 2.056 179.620 177.584 -0.033 0.000 1.191 215 A CA 2.341 54.304 52.037 -0.122 0.000 0.623 215 A CB -1.817 17.179 19.000 -0.006 0.000 0.826 215 A HN 0.566 nan 8.150 nan 0.000 0.444 216 F N -2.098 117.840 119.950 -0.020 0.000 2.558 216 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 216 F C 1.944 177.711 175.800 -0.055 0.000 1.119 216 F CA 1.128 59.092 58.000 -0.060 0.000 1.451 216 F CB -0.834 38.091 39.000 -0.126 0.000 1.091 216 F HN 0.305 nan 8.300 nan 0.000 0.563 217 H N 0.076 118.985 119.070 -0.268 0.000 2.428 217 H HA -0.004 4.552 4.556 -0.000 0.000 0.296 217 H C 2.063 177.384 175.328 -0.012 0.000 1.062 217 H CA 1.446 57.423 56.048 -0.119 0.000 1.350 217 H CB 0.121 29.781 29.762 -0.171 0.000 1.403 217 H HN 0.342 nan 8.280 nan 0.000 0.533 218 S N -0.253 115.493 115.700 0.077 0.000 2.402 218 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 218 S C 2.262 176.870 174.600 0.013 0.000 1.021 218 S CA 1.738 59.957 58.200 0.031 0.000 0.974 218 S CB -0.125 63.018 63.200 -0.094 0.000 0.800 218 S HN 0.670 nan 8.310 nan 0.000 0.484 219 T N -1.688 112.875 114.554 0.015 0.000 3.015 219 T HA 0.492 4.842 4.350 -0.000 0.000 0.250 219 T C 0.938 175.644 174.700 0.010 0.000 1.057 219 T CA 0.503 62.610 62.100 0.012 0.000 1.066 219 T CB 0.095 68.972 68.868 0.015 0.000 0.959 219 T HN 0.639 nan 8.240 nan 0.000 0.488 220 G N 1.747 110.555 108.800 0.012 0.000 2.719 220 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 220 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 220 G C -0.906 173.998 174.900 0.007 0.000 1.201 220 G CA -0.836 44.254 45.100 -0.017 0.000 0.768 220 G HN 0.509 nan 8.290 nan 0.000 0.629 221 N N 0.430 119.116 118.700 -0.023 0.000 2.453 221 N HA 0.171 4.911 4.740 -0.000 0.000 0.253 221 N C 0.597 176.109 175.510 0.003 0.000 1.252 221 N CA 0.124 53.165 53.050 -0.016 0.000 0.917 221 N CB 0.716 39.156 38.487 -0.077 0.000 1.117 221 N HN 0.771 nan 8.380 nan 0.000 0.442 222 N N 0.219 118.973 118.700 0.090 0.000 2.476 222 N HA 0.171 4.911 4.740 -0.000 0.000 0.275 222 N C -1.002 174.581 175.510 0.121 0.000 1.190 222 N CA -0.471 52.636 53.050 0.096 0.000 0.977 222 N CB 0.743 39.299 38.487 0.116 0.000 1.200 222 N HN 0.697 nan 8.380 nan 0.000 0.515 223 N N -0.715 117.967 118.700 -0.030 0.000 2.629 223 N HA 0.535 5.275 4.740 -0.000 0.000 0.279 223 N C -2.547 172.812 175.510 -0.252 0.000 1.344 223 N CA -1.439 51.373 53.050 -0.396 0.000 0.789 223 N CB 1.562 39.816 38.487 -0.388 0.000 1.508 223 N HN 0.192 nan 8.380 nan 0.000 0.516 224 P HA -0.105 nan 4.420 nan 0.000 0.226 224 P C 0.629 178.017 177.300 0.147 0.000 1.146 224 P CA 1.348 64.360 63.100 -0.146 0.000 0.773 224 P CB -0.021 31.589 31.700 -0.150 0.000 0.772 225 T N -6.433 108.177 114.554 0.093 0.000 3.044 225 T HA 0.298 4.648 4.350 -0.000 0.000 0.250 225 T C 1.674 176.516 174.700 0.237 0.000 1.081 225 T CA 0.607 62.858 62.100 0.252 0.000 1.040 225 T CB -0.651 68.346 68.868 0.216 0.000 0.962 225 T HN 0.171 nan 8.240 nan 0.000 0.506 226 G N 0.972 109.839 108.800 0.112 0.000 2.184 226 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 226 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 226 G C 0.077 174.990 174.900 0.021 0.000 0.975 226 G CA 0.150 45.283 45.100 0.056 0.000 0.642 226 G HN 0.767 nan 8.290 nan 0.000 0.536 227 V N 2.143 122.073 119.914 0.027 0.000 2.406 227 V HA 0.404 4.524 4.120 -0.000 0.000 0.272 227 V C 0.756 176.836 176.094 -0.022 0.000 1.043 227 V CA -1.068 61.229 62.300 -0.005 0.000 0.915 227 V CB 1.486 33.306 31.823 -0.005 0.000 0.988 227 V HN 0.307 nan 8.190 nan 0.000 0.466 228 E N 2.687 122.870 120.200 -0.027 0.000 2.428 228 E HA 0.162 4.512 4.350 -0.000 0.000 0.257 228 E C -0.129 176.454 176.600 -0.029 0.000 1.197 228 E CA -0.178 56.204 56.400 -0.030 0.000 0.974 228 E CB 1.005 30.689 29.700 -0.026 0.000 0.976 228 E HN 0.379 nan 8.360 nan 0.000 0.463 229 V N 2.090 121.986 119.914 -0.029 0.000 2.649 229 V HA 0.073 4.193 4.120 -0.000 0.000 0.292 229 V C 0.869 176.957 176.094 -0.011 0.000 1.055 229 V CA -0.107 62.178 62.300 -0.024 0.000 1.023 229 V CB 0.683 32.491 31.823 -0.024 0.000 0.992 229 V HN 0.455 nan 8.190 nan 0.000 0.480 230 R N 4.162 124.658 120.500 -0.006 0.000 2.449 230 R HA 0.178 4.518 4.340 -0.000 0.000 0.296 230 R C 0.627 176.934 176.300 0.012 0.000 1.047 230 R CA -0.320 55.781 56.100 0.001 0.000 1.018 230 R CB 0.490 30.792 30.300 0.002 0.000 0.962 230 R HN 0.501 nan 8.270 nan 0.000 0.428 231 R N 1.226 121.735 120.500 0.015 0.000 2.290 231 R HA -0.011 4.329 4.340 -0.000 0.000 0.197 231 R C 1.595 177.913 176.300 0.030 0.000 0.913 231 R CA 0.673 56.789 56.100 0.027 0.000 1.040 231 R CB -0.237 30.078 30.300 0.025 0.000 0.992 231 R HN 0.729 nan 8.270 nan 0.000 0.500 232 T N -0.843 113.724 114.554 0.022 0.000 2.803 232 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 232 T C 1.088 175.804 174.700 0.027 0.000 1.052 232 T CA 1.150 63.263 62.100 0.022 0.000 1.136 232 T CB -0.131 68.746 68.868 0.015 0.000 0.864 232 T HN 0.248 nan 8.240 nan 0.000 0.467 233 S N -0.714 115.004 115.700 0.030 0.000 2.535 233 S HA 0.444 4.914 4.470 -0.000 0.000 0.272 233 S C 0.206 174.829 174.600 0.039 0.000 1.149 233 S CA -1.161 57.059 58.200 0.033 0.000 0.888 233 S CB 2.060 65.275 63.200 0.025 0.000 1.110 233 S HN 0.138 nan 8.310 nan 0.000 0.463 234 K N 1.398 121.826 120.400 0.047 0.000 2.160 234 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 234 K C 2.303 178.929 176.600 0.042 0.000 1.047 234 K CA 1.536 57.856 56.287 0.055 0.000 0.930 234 K CB -0.676 31.858 32.500 0.057 0.000 0.720 234 K HN 0.711 nan 8.250 nan 0.000 0.450 235 A N 2.882 125.722 122.820 0.032 0.000 1.859 235 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 235 A C 2.190 179.787 177.584 0.021 0.000 1.209 235 A CA 2.213 54.265 52.037 0.025 0.000 0.639 235 A CB -0.630 18.382 19.000 0.020 0.000 0.835 235 A HN 0.558 nan 8.150 nan 0.000 0.450 236 E N -0.300 119.912 120.200 0.019 0.000 2.152 236 E HA 0.057 4.407 4.350 -0.000 0.000 0.192 236 E C 2.063 178.671 176.600 0.013 0.000 0.983 236 E CA 0.924 57.332 56.400 0.014 0.000 0.818 236 E CB -0.485 29.222 29.700 0.011 0.000 0.758 236 E HN 0.499 nan 8.360 nan 0.000 0.467 237 A N 1.914 124.746 122.820 0.021 0.000 1.948 237 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 237 A C 2.198 179.791 177.584 0.015 0.000 1.177 237 A CA 1.834 53.885 52.037 0.022 0.000 0.636 237 A CB -0.603 18.423 19.000 0.044 0.000 0.815 237 A HN 0.311 nan 8.150 nan 0.000 0.449 238 Q N -0.555 119.257 119.800 0.020 0.000 2.230 238 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 238 Q C 1.816 177.809 176.000 -0.013 0.000 0.963 238 Q CA 1.322 57.130 55.803 0.009 0.000 0.866 238 Q CB -0.121 28.630 28.738 0.021 0.000 0.931 238 Q HN 0.697 nan 8.270 nan 0.000 0.452 239 K N 0.391 120.789 120.400 -0.003 0.000 2.217 239 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 239 K C 1.071 177.664 176.600 -0.012 0.000 1.051 239 K CA 0.945 57.234 56.287 0.003 0.000 0.952 239 K CB 0.191 32.699 32.500 0.014 0.000 0.736 239 K HN 0.128 nan 8.250 nan 0.000 0.453 240 D N 0.482 120.864 120.400 -0.029 0.000 2.271 240 D HA -0.038 4.602 4.640 -0.000 0.000 0.206 240 D C 1.184 177.416 176.300 -0.112 0.000 0.967 240 D CA 0.929 54.895 54.000 -0.057 0.000 0.867 240 D CB 0.367 41.144 40.800 -0.038 0.000 0.960 240 D HN 0.308 nan 8.370 nan 0.000 0.509 241 T N -1.966 112.532 114.554 -0.094 0.000 2.762 241 T HA 0.664 5.014 4.350 -0.000 0.000 0.272 241 T C -0.251 174.366 174.700 -0.140 0.000 0.982 241 T CA -0.742 61.300 62.100 -0.096 0.000 1.013 241 T CB 1.983 70.842 68.868 -0.016 0.000 1.309 241 T HN -0.077 nan 8.240 nan 0.000 0.572 242 V N -3.027 116.834 119.914 -0.089 0.000 3.147 242 V HA 0.778 4.898 4.120 -0.000 0.000 0.299 242 V C -3.275 172.879 176.094 0.101 0.000 1.302 242 V CA -2.455 59.757 62.300 -0.148 0.000 1.015 242 V CB 1.795 33.284 31.823 -0.556 0.000 1.086 242 V HN 0.957 nan 8.190 nan 0.000 0.437 243 P HA 0.173 nan 4.420 nan 0.000 0.275 243 P C 0.558 178.090 177.300 0.386 0.000 1.227 243 P CA -0.012 63.265 63.100 0.294 0.000 0.781 243 P CB 0.925 32.780 31.700 0.258 0.000 0.906 244 F N 3.480 123.593 119.950 0.272 0.000 2.091 244 F HA -0.106 4.421 4.527 0.000 0.000 0.299 244 F C 0.780 176.748 175.800 0.279 0.000 1.103 244 F CA 0.917 59.123 58.000 0.344 0.000 1.228 244 F CB -0.384 38.801 39.000 0.308 0.000 0.984 244 F HN 0.356 nan 8.300 nan 0.000 0.477 245 W N 3.546 124.817 121.300 -0.049 0.000 2.390 245 W HA 0.278 4.938 4.660 -0.000 0.000 0.312 245 W C -2.262 174.134 176.519 -0.204 0.000 1.123 245 W CA -1.963 55.251 57.345 -0.218 0.000 1.202 245 W CB 1.209 30.588 29.460 -0.134 0.000 1.251 245 W HN -0.035 nan 8.180 nan 0.000 0.511 246 P HA -0.015 nan 4.420 nan 0.000 0.275 246 P C 0.699 177.418 177.300 -0.968 0.000 1.310 246 P CA 0.421 62.464 63.100 -1.760 0.000 0.904 246 P CB 0.355 30.730 31.700 -2.207 0.000 1.381 247 Y N -0.119 119.853 120.300 -0.546 0.000 2.081 247 Y HA -0.188 4.362 4.550 -0.000 0.000 0.280 247 Y C 2.168 177.765 175.900 -0.504 0.000 1.163 247 Y CA 1.802 59.587 58.100 -0.524 0.000 1.135 247 Y CB -1.551 36.547 38.460 -0.603 0.000 0.970 247 Y HN -0.130 nan 8.280 nan 0.000 0.498 248 F N -1.637 118.317 119.950 0.006 0.000 2.387 248 F HA -0.019 4.508 4.527 0.000 0.000 0.294 248 F C 2.249 178.010 175.800 -0.065 0.000 1.093 248 F CA 0.021 58.067 58.000 0.076 0.000 1.420 248 F CB -0.647 38.576 39.000 0.371 0.000 1.086 248 F HN -0.047 nan 8.300 nan 0.000 0.531 249 I N 0.191 120.575 120.570 -0.310 0.000 2.248 249 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 249 I C 2.319 178.427 176.117 -0.015 0.000 1.107 249 I CA 1.866 63.011 61.300 -0.258 0.000 1.373 249 I CB -0.867 37.011 38.000 -0.202 0.000 1.055 249 I HN 0.154 nan 8.210 nan 0.000 0.418 250 I N 0.861 121.382 120.570 -0.082 0.000 2.406 250 I HA -0.262 3.908 4.170 -0.000 0.000 0.249 250 I C 2.527 178.733 176.117 0.149 0.000 1.122 250 I CA 0.887 62.183 61.300 -0.006 0.000 1.431 250 I CB -0.193 37.725 38.000 -0.138 0.000 1.087 250 I HN 0.275 nan 8.210 nan 0.000 0.424 251 K N 0.321 120.848 120.400 0.212 0.000 2.155 251 K HA -0.118 4.202 4.320 -0.000 0.000 0.203 251 K C 1.312 178.166 176.600 0.423 0.000 1.052 251 K CA 1.402 57.945 56.287 0.427 0.000 0.948 251 K CB -0.268 32.513 32.500 0.469 0.000 0.728 251 K HN 0.093 nan 8.250 nan 0.000 0.448 252 D N 1.405 121.999 120.400 0.323 0.000 2.084 252 D HA -0.115 4.525 4.640 -0.000 0.000 0.194 252 D C 2.053 178.422 176.300 0.115 0.000 0.990 252 D CA 1.166 55.302 54.000 0.227 0.000 0.826 252 D CB -0.253 40.712 40.800 0.274 0.000 0.971 252 D HN 0.023 nan 8.370 nan 0.000 0.453 253 V N 0.954 120.948 119.914 0.134 0.000 2.407 253 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 253 V C 2.105 178.245 176.094 0.077 0.000 1.055 253 V CA 1.241 63.593 62.300 0.085 0.000 1.049 253 V CB -0.580 31.308 31.823 0.108 0.000 0.662 253 V HN 0.136 nan 8.190 nan 0.000 0.455 254 F N 1.884 121.842 119.950 0.013 0.000 2.113 254 F HA -0.084 4.443 4.527 0.000 0.000 0.297 254 F C 2.256 178.005 175.800 -0.086 0.000 1.103 254 F CA 1.274 59.267 58.000 -0.013 0.000 1.248 254 F CB -0.827 38.195 39.000 0.036 0.000 0.999 254 F HN 0.069 nan 8.300 nan 0.000 0.475 255 A N 0.777 123.297 122.820 -0.499 0.000 1.877 255 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 255 A C 2.182 179.465 177.584 -0.501 0.000 1.186 255 A CA 1.766 53.379 52.037 -0.706 0.000 0.620 255 A CB -1.450 17.270 19.000 -0.467 0.000 0.822 255 A HN 0.503 nan 8.150 nan 0.000 0.443 256 L N -0.134 120.902 121.223 -0.313 0.000 2.043 256 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 256 L C 2.674 179.382 176.870 -0.271 0.000 1.075 256 L CA 2.290 56.960 54.840 -0.282 0.000 0.752 256 L CB -0.754 41.164 42.059 -0.235 0.000 0.891 256 L HN 0.370 nan 8.230 nan 0.000 0.432 257 A N -1.498 121.187 122.820 -0.225 0.000 1.933 257 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 257 A C 2.230 179.727 177.584 -0.145 0.000 1.175 257 A CA 1.861 53.814 52.037 -0.141 0.000 0.628 257 A CB -0.951 18.020 19.000 -0.049 0.000 0.814 257 A HN 0.314 nan 8.150 nan 0.000 0.444 258 V N -0.584 119.156 119.914 -0.290 0.000 2.358 258 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 258 V C 2.542 178.557 176.094 -0.130 0.000 1.047 258 V CA 1.806 63.956 62.300 -0.250 0.000 1.035 258 V CB -0.759 30.784 31.823 -0.465 0.000 0.658 258 V HN 0.353 nan 8.190 nan 0.000 0.452 259 V N -0.027 119.791 119.914 -0.160 0.000 2.295 259 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 259 V C 2.318 178.456 176.094 0.075 0.000 1.049 259 V CA 1.959 64.236 62.300 -0.037 0.000 1.024 259 V CB -0.516 31.262 31.823 -0.074 0.000 0.648 259 V HN 0.447 nan 8.190 nan 0.000 0.447 260 L N -0.701 120.549 121.223 0.046 0.000 2.191 260 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 260 L C 2.428 179.537 176.870 0.399 0.000 1.103 260 L CA 0.841 55.838 54.840 0.261 0.000 0.769 260 L CB -0.572 41.591 42.059 0.174 0.000 0.908 260 L HN 0.363 nan 8.230 nan 0.000 0.438 261 L N -0.198 121.147 121.223 0.204 0.000 2.017 261 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 261 L C 2.386 179.384 176.870 0.213 0.000 1.073 261 L CA 1.813 56.765 54.840 0.185 0.000 0.745 261 L CB -0.550 41.558 42.059 0.081 0.000 0.894 261 L HN -0.068 nan 8.230 nan 0.000 0.432 262 V N -0.530 119.489 119.914 0.175 0.000 2.307 262 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 262 V C 2.359 178.581 176.094 0.214 0.000 1.045 262 V CA 1.921 64.320 62.300 0.166 0.000 1.024 262 V CB -1.049 30.857 31.823 0.139 0.000 0.651 262 V HN 0.513 nan 8.190 nan 0.000 0.449 263 F N 0.810 120.813 119.950 0.089 0.000 2.091 263 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 263 F C 2.043 177.825 175.800 -0.029 0.000 1.103 263 F CA 1.651 59.663 58.000 0.020 0.000 1.228 263 F CB -0.613 38.366 39.000 -0.034 0.000 0.984 263 F HN 0.136 nan 8.300 nan 0.000 0.477 264 F N 0.247 120.156 119.950 -0.069 0.000 2.234 264 F HA -0.026 4.501 4.527 0.000 0.000 0.299 264 F C 2.518 178.266 175.800 -0.087 0.000 1.087 264 F CA 1.117 59.014 58.000 -0.173 0.000 1.340 264 F CB -1.151 37.842 39.000 -0.012 0.000 1.031 264 F HN 0.084 nan 8.300 nan 0.000 0.500 265 A N 0.288 123.232 122.820 0.207 0.000 1.902 265 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 265 A C 2.230 179.939 177.584 0.209 0.000 1.181 265 A CA 1.371 53.589 52.037 0.302 0.000 0.623 265 A CB -0.726 18.418 19.000 0.241 0.000 0.818 265 A HN 0.217 nan 8.150 nan 0.000 0.443 266 I N 0.013 120.614 120.570 0.051 0.000 2.113 266 I HA -0.182 3.988 4.170 -0.000 0.000 0.238 266 I C 2.548 178.594 176.117 -0.117 0.000 1.070 266 I CA 1.288 62.584 61.300 -0.005 0.000 1.332 266 I CB -1.481 36.522 38.000 0.005 0.000 1.044 266 I HN 0.144 nan 8.210 nan 0.000 0.402 267 V N 1.337 121.074 119.914 -0.296 0.000 2.392 267 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 267 V C 2.620 178.557 176.094 -0.261 0.000 1.059 267 V CA 2.067 64.164 62.300 -0.339 0.000 1.051 267 V CB -1.476 30.021 31.823 -0.545 0.000 0.658 267 V HN 0.551 nan 8.190 nan 0.000 0.455 268 G N -1.211 107.423 108.800 -0.276 0.000 2.396 268 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.214 268 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.214 268 G C 1.292 175.729 174.900 -0.772 0.000 1.166 268 G CA 0.601 45.389 45.100 -0.521 0.000 0.793 268 G HN 0.515 nan 8.290 nan 0.000 0.533 269 F N -0.086 119.843 119.950 -0.035 0.000 2.678 269 F HA 0.397 4.924 4.527 -0.000 0.000 0.291 269 F C 1.474 177.235 175.800 -0.065 0.000 1.123 269 F CA 0.109 58.084 58.000 -0.041 0.000 1.395 269 F CB 0.346 39.326 39.000 -0.033 0.000 1.121 269 F HN 0.036 nan 8.300 nan 0.000 0.592 270 M N -0.366 119.249 119.600 0.025 0.000 3.951 270 M HA 0.358 4.838 4.480 -0.000 0.000 0.444 270 M C -2.444 173.832 176.300 -0.039 0.000 1.957 270 M CA -1.103 54.200 55.300 0.006 0.000 0.521 270 M CB 0.845 33.450 32.600 0.009 0.000 1.436 270 M HN -0.299 nan 8.290 nan 0.000 0.525 271 P HA -0.115 nan 4.420 nan 0.000 0.221 271 P C 0.213 177.396 177.300 -0.195 0.000 1.145 271 P CA 1.391 64.246 63.100 -0.408 0.000 0.795 271 P CB 0.090 31.078 31.700 -1.187 0.000 0.775 272 N N -1.763 116.908 118.700 -0.048 0.000 2.236 272 N HA -0.023 4.717 4.740 -0.000 0.000 0.196 272 N C 1.448 177.062 175.510 0.174 0.000 1.114 272 N CA -0.162 52.973 53.050 0.142 0.000 0.859 272 N CB -0.333 38.290 38.487 0.227 0.000 0.982 272 N HN 0.150 nan 8.380 nan 0.000 0.493 273 Y N 1.802 122.125 120.300 0.038 0.000 2.145 273 Y HA -0.013 4.537 4.550 0.000 0.000 0.286 273 Y C 1.691 177.620 175.900 0.049 0.000 1.145 273 Y CA 1.393 59.513 58.100 0.034 0.000 1.148 273 Y CB -0.216 38.250 38.460 0.011 0.000 0.981 273 Y HN -0.047 nan 8.280 nan 0.000 0.507 274 L N 0.382 121.619 121.223 0.024 0.000 2.645 274 L HA 0.193 4.533 4.340 -0.000 0.000 0.235 274 L C 1.052 177.981 176.870 0.097 0.000 1.150 274 L CA 0.086 54.924 54.840 -0.003 0.000 0.911 274 L CB -0.855 41.324 42.059 0.200 0.000 1.077 274 L HN 0.252 nan 8.230 nan 0.000 0.438 275 G N -2.331 106.515 108.800 0.076 0.000 2.932 275 G HA2 0.297 4.257 3.960 -0.000 0.000 0.283 275 G HA3 0.297 4.257 3.960 -0.000 0.000 0.283 275 G C -1.476 173.491 174.900 0.112 0.000 1.336 275 G CA -0.351 44.828 45.100 0.132 0.000 1.056 275 G HN 0.006 nan 8.290 nan 0.000 0.522 276 H N 0.309 119.437 119.070 0.097 0.000 2.551 276 H HA 0.361 4.917 4.556 -0.000 0.000 0.321 276 H C -1.692 173.713 175.328 0.129 0.000 1.028 276 H CA -1.888 54.218 56.048 0.097 0.000 1.215 276 H CB 2.318 32.146 29.762 0.110 0.000 1.414 276 H HN 0.062 nan 8.280 nan 0.000 0.480 277 P HA -0.146 nan 4.420 nan 0.000 0.217 277 P C 0.805 178.365 177.300 0.433 0.000 1.148 277 P CA 1.069 64.401 63.100 0.386 0.000 0.834 277 P CB 0.484 32.328 31.700 0.238 0.000 0.783 278 D N -1.760 118.967 120.400 0.545 0.000 2.350 278 D HA -0.085 4.555 4.640 -0.000 0.000 0.216 278 D C 1.310 177.714 176.300 0.174 0.000 0.968 278 D CA 0.724 54.897 54.000 0.288 0.000 0.894 278 D CB -0.717 40.170 40.800 0.146 0.000 0.909 278 D HN 0.105 nan 8.370 nan 0.000 0.520 279 N N -0.522 118.259 118.700 0.135 0.000 2.449 279 N HA -0.074 4.666 4.740 -0.000 0.000 0.191 279 N C 0.067 175.630 175.510 0.087 0.000 1.161 279 N CA 0.157 53.224 53.050 0.027 0.000 0.863 279 N CB -0.064 38.356 38.487 -0.112 0.000 0.980 279 N HN 0.146 nan 8.380 nan 0.000 0.458 280 Y N -0.376 120.095 120.300 0.285 0.000 2.532 280 Y HA 0.394 4.944 4.550 -0.000 0.000 0.283 280 Y C -0.004 176.131 175.900 0.392 0.000 1.181 280 Y CA -0.245 58.073 58.100 0.363 0.000 1.256 280 Y CB 0.183 38.794 38.460 0.251 0.000 1.112 280 Y HN -0.061 nan 8.280 nan 0.000 0.521 281 I N 0.028 120.814 120.570 0.359 0.000 2.474 281 I HA 0.221 4.391 4.170 -0.000 0.000 0.294 281 I C -0.148 175.894 176.117 -0.124 0.000 1.005 281 I CA -1.031 60.330 61.300 0.102 0.000 1.113 281 I CB 1.942 39.997 38.000 0.091 0.000 1.289 281 I HN -0.038 nan 8.210 nan 0.000 0.436 282 E N 3.759 123.676 120.200 -0.470 0.000 2.392 282 E HA 0.272 4.622 4.350 -0.000 0.000 0.264 282 E C 0.089 176.498 176.600 -0.317 0.000 1.024 282 E CA -0.414 55.610 56.400 -0.627 0.000 0.903 282 E CB 0.743 30.063 29.700 -0.634 0.000 0.963 282 E HN 0.680 nan 8.360 nan 0.000 0.432 283 A N 3.766 126.381 122.820 -0.342 0.000 2.584 283 A HA -0.081 4.239 4.320 -0.000 0.000 0.239 283 A C 0.129 177.427 177.584 -0.477 0.000 1.043 283 A CA 0.240 51.965 52.037 -0.520 0.000 0.756 283 A CB -0.032 18.335 19.000 -1.056 0.000 0.963 283 A HN 0.524 nan 8.150 nan 0.000 0.511 284 N N 3.348 121.799 118.700 -0.414 0.000 2.573 284 N HA 0.378 5.118 4.740 -0.000 0.000 0.262 284 N C -2.414 172.889 175.510 -0.346 0.000 1.029 284 N CA -2.169 50.716 53.050 -0.274 0.000 0.882 284 N CB 1.774 40.228 38.487 -0.054 0.000 1.204 284 N HN 0.170 nan 8.380 nan 0.000 0.519 285 P HA 0.010 nan 4.420 nan 0.000 0.228 285 P C 0.694 178.056 177.300 0.104 0.000 1.151 285 P CA 0.878 63.615 63.100 -0.605 0.000 0.770 285 P CB 0.379 31.764 31.700 -0.525 0.000 0.786 286 L N -1.536 119.753 121.223 0.110 0.000 2.818 286 L HA 0.305 4.645 4.340 -0.000 0.000 0.243 286 L C 0.814 177.777 176.870 0.154 0.000 1.185 286 L CA -0.117 54.815 54.840 0.153 0.000 0.988 286 L CB 0.083 42.175 42.059 0.055 0.000 1.292 286 L HN -0.081 nan 8.230 nan 0.000 0.519 287 R N -0.054 120.601 120.500 0.259 0.000 2.678 287 R HA 0.249 4.589 4.340 -0.000 0.000 0.267 287 R C -1.355 174.879 176.300 -0.111 0.000 1.173 287 R CA -0.222 55.901 56.100 0.038 0.000 1.061 287 R CB 1.586 31.900 30.300 0.023 0.000 1.262 287 R HN -0.155 nan 8.270 nan 0.000 0.427 288 T N 5.873 120.085 114.554 -0.571 0.000 2.767 288 T HA 0.349 4.699 4.350 -0.000 0.000 0.288 288 T C -2.400 172.039 174.700 -0.434 0.000 0.963 288 T CA -1.231 60.285 62.100 -0.974 0.000 1.019 288 T CB 1.430 69.555 68.868 -1.239 0.000 0.923 288 T HN 0.392 nan 8.240 nan 0.000 0.468 289 P HA 0.169 nan 4.420 nan 0.000 0.265 289 P C 0.498 177.681 177.300 -0.195 0.000 1.187 289 P CA -0.217 62.797 63.100 -0.144 0.000 0.766 289 P CB 0.445 32.120 31.700 -0.042 0.000 0.820 290 A N 2.728 125.402 122.820 -0.242 0.000 1.969 290 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 290 A C 1.034 178.333 177.584 -0.475 0.000 1.169 290 A CA 1.336 53.136 52.037 -0.395 0.000 0.635 290 A CB -0.807 17.873 19.000 -0.533 0.000 0.810 290 A HN 0.613 nan 8.150 nan 0.000 0.445 291 H N -1.070 118.018 119.070 0.032 0.000 2.503 291 H HA 0.296 4.852 4.556 -0.000 0.000 0.296 291 H C -0.015 175.403 175.328 0.149 0.000 1.097 291 H CA -0.872 55.222 56.048 0.076 0.000 1.055 291 H CB -0.487 29.326 29.762 0.086 0.000 1.580 291 H HN 0.485 nan 8.280 nan 0.000 0.546 292 I N 1.831 122.453 120.570 0.087 0.000 2.752 292 I HA -0.022 4.148 4.170 -0.000 0.000 0.289 292 I C -0.642 175.512 176.117 0.062 0.000 1.197 292 I CA 0.454 61.764 61.300 0.017 0.000 1.432 292 I CB 0.142 38.114 38.000 -0.047 0.000 1.359 292 I HN -0.160 nan 8.210 nan 0.000 0.571 293 V N 7.313 127.256 119.914 0.047 0.000 2.891 293 V HA 0.392 4.512 4.120 -0.000 0.000 0.304 293 V C -2.258 173.753 176.094 -0.138 0.000 1.171 293 V CA -1.184 61.089 62.300 -0.045 0.000 0.943 293 V CB 1.746 33.604 31.823 0.057 0.000 1.037 293 V HN 0.683 nan 8.190 nan 0.000 0.427 294 P HA 0.288 nan 4.420 nan 0.000 0.273 294 P C -0.656 176.439 177.300 -0.342 0.000 1.250 294 P CA -0.472 62.418 63.100 -0.349 0.000 0.793 294 P CB 0.461 31.861 31.700 -0.499 0.000 1.011 295 E N 0.715 120.594 120.200 -0.535 0.000 2.414 295 E HA -0.058 4.292 4.350 -0.000 0.000 0.263 295 E C 1.116 177.172 176.600 -0.907 0.000 1.000 295 E CA -0.015 55.833 56.400 -0.921 0.000 0.914 295 E CB -0.103 28.603 29.700 -1.657 0.000 0.948 295 E HN 0.538 nan 8.360 nan 0.000 0.444 296 W N 4.530 125.456 121.300 -0.623 0.000 2.305 296 W HA -0.357 4.303 4.660 -0.000 0.000 0.308 296 W C 0.926 177.257 176.519 -0.313 0.000 1.226 296 W CA 1.392 58.509 57.345 -0.380 0.000 1.253 296 W CB -1.010 28.325 29.460 -0.209 0.000 1.146 296 W HN 0.753 nan 8.180 nan 0.000 0.507 297 Y N -2.346 117.050 120.300 -1.505 0.000 2.680 297 Y HA 0.077 4.627 4.550 0.000 0.000 0.303 297 Y C 1.576 177.230 175.900 -0.409 0.000 1.166 297 Y CA 0.151 57.529 58.100 -1.203 0.000 1.344 297 Y CB -1.754 35.590 38.460 -1.859 0.000 1.002 297 Y HN -0.196 nan 8.280 nan 0.000 0.537 298 F N -0.386 119.277 119.950 -0.479 0.000 2.717 298 F HA 0.229 4.756 4.527 0.000 0.000 0.297 298 F C 1.814 177.542 175.800 -0.121 0.000 1.113 298 F CA -0.956 56.916 58.000 -0.214 0.000 1.319 298 F CB -0.591 38.205 39.000 -0.340 0.000 1.097 298 F HN 0.113 nan 8.300 nan 0.000 0.595 299 L N 1.475 122.690 121.223 -0.014 0.000 1.997 299 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 299 L C -0.073 176.745 176.870 -0.086 0.000 1.074 299 L CA 1.964 56.790 54.840 -0.024 0.000 0.763 299 L CB -2.086 39.936 42.059 -0.061 0.000 0.890 299 L HN 0.020 nan 8.230 nan 0.000 0.434 300 P HA -0.220 nan 4.420 nan 0.000 0.216 300 P C 1.540 178.454 177.300 -0.644 0.000 1.153 300 P CA 1.871 64.581 63.100 -0.651 0.000 0.858 300 P CB -0.152 30.812 31.700 -1.227 0.000 0.789 301 F N -1.806 118.022 119.950 -0.203 0.000 2.325 301 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 301 F C 2.740 178.459 175.800 -0.135 0.000 1.090 301 F CA 0.700 58.575 58.000 -0.208 0.000 1.392 301 F CB -1.557 37.310 39.000 -0.221 0.000 1.053 301 F HN -0.119 nan 8.300 nan 0.000 0.521 302 Y N 1.044 121.290 120.300 -0.090 0.000 2.200 302 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 302 Y C 2.322 178.150 175.900 -0.120 0.000 1.137 302 Y CA 1.022 59.057 58.100 -0.108 0.000 1.163 302 Y CB -0.751 37.647 38.460 -0.103 0.000 0.988 302 Y HN -0.031 nan 8.280 nan 0.000 0.518 303 A N 0.851 123.552 122.820 -0.198 0.000 1.883 303 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 303 A C 2.344 179.770 177.584 -0.264 0.000 1.186 303 A CA 2.086 53.937 52.037 -0.309 0.000 0.624 303 A CB -1.202 17.663 19.000 -0.225 0.000 0.822 303 A HN 0.586 nan 8.150 nan 0.000 0.444 304 I N -0.752 119.712 120.570 -0.177 0.000 2.163 304 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 304 I C 2.547 178.707 176.117 0.072 0.000 1.085 304 I CA 1.616 62.900 61.300 -0.027 0.000 1.347 304 I CB -0.342 37.674 38.000 0.027 0.000 1.044 304 I HN 0.464 nan 8.210 nan 0.000 0.408 305 L N 1.646 122.872 121.223 0.005 0.000 1.989 305 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 305 L C 2.780 179.638 176.870 -0.021 0.000 1.071 305 L CA 1.797 56.664 54.840 0.046 0.000 0.749 305 L CB -0.340 41.701 42.059 -0.030 0.000 0.890 305 L HN 0.226 nan 8.230 nan 0.000 0.431 306 R N -0.358 119.992 120.500 -0.249 0.000 2.323 306 R HA 0.103 4.443 4.340 -0.000 0.000 0.198 306 R C 1.751 177.893 176.300 -0.264 0.000 0.988 306 R CA 0.749 56.694 56.100 -0.259 0.000 1.041 306 R CB -0.517 29.536 30.300 -0.412 0.000 0.926 306 R HN 0.365 nan 8.270 nan 0.000 0.476 307 A N 1.272 123.885 122.820 -0.345 0.000 2.015 307 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 307 A C 0.304 177.503 177.584 -0.641 0.000 1.163 307 A CA 0.389 52.098 52.037 -0.547 0.000 0.646 307 A CB -0.282 18.271 19.000 -0.744 0.000 0.806 307 A HN 0.312 nan 8.150 nan 0.000 0.448 308 F N 2.017 121.906 119.950 -0.101 0.000 2.567 308 F HA 0.276 4.803 4.527 -0.000 0.000 0.352 308 F C 1.269 176.995 175.800 -0.124 0.000 1.229 308 F CA -0.058 57.870 58.000 -0.120 0.000 1.228 308 F CB -0.193 38.813 39.000 0.011 0.000 1.568 308 F HN 0.121 nan 8.300 nan 0.000 0.634 309 T N -1.754 112.763 114.554 -0.062 0.000 2.849 309 T HA 0.568 4.918 4.350 -0.000 0.000 0.276 309 T C 1.464 176.137 174.700 -0.043 0.000 0.971 309 T CA -0.311 61.759 62.100 -0.051 0.000 0.949 309 T CB 1.490 70.303 68.868 -0.092 0.000 1.093 309 T HN 0.383 nan 8.240 nan 0.000 0.545 310 A N 0.184 122.991 122.820 -0.022 0.000 2.024 310 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 310 A C 1.857 179.436 177.584 -0.008 0.000 1.164 310 A CA 1.517 53.548 52.037 -0.009 0.000 0.643 310 A CB -0.930 18.074 19.000 0.008 0.000 0.806 310 A HN 0.865 nan 8.150 nan 0.000 0.451 311 D N -0.478 119.910 120.400 -0.020 0.000 2.355 311 D HA 0.080 4.720 4.640 -0.000 0.000 0.218 311 D C 0.236 176.541 176.300 0.009 0.000 1.004 311 D CA 0.235 54.242 54.000 0.012 0.000 0.880 311 D CB -0.006 40.792 40.800 -0.002 0.000 0.911 311 D HN 0.175 nan 8.370 nan 0.000 0.528 312 V N 2.238 122.103 119.914 -0.082 0.000 2.479 312 V HA -0.091 4.029 4.120 -0.000 0.000 0.281 312 V C 1.182 177.296 176.094 0.033 0.000 1.031 312 V CA -0.536 61.678 62.300 -0.144 0.000 1.038 312 V CB 0.646 32.361 31.823 -0.180 0.000 0.981 312 V HN 0.163 nan 8.190 nan 0.000 0.478 313 W N 3.458 124.703 121.300 -0.092 0.000 2.304 313 W HA -0.196 4.464 4.660 0.000 0.000 0.315 313 W C 2.333 178.808 176.519 -0.073 0.000 1.233 313 W CA 1.466 58.775 57.345 -0.060 0.000 1.261 313 W CB -1.203 28.246 29.460 -0.019 0.000 1.150 313 W HN 0.437 nan 8.180 nan 0.000 0.494 314 V N 0.082 120.078 119.914 0.135 0.000 2.490 314 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 314 V C 1.989 177.990 176.094 -0.155 0.000 1.061 314 V CA 1.761 64.080 62.300 0.031 0.000 1.064 314 V CB -0.564 31.290 31.823 0.051 0.000 0.670 314 V HN -0.003 nan 8.190 nan 0.000 0.461 315 V N -0.504 119.217 119.914 -0.323 0.000 2.379 315 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 315 V C 2.369 178.387 176.094 -0.126 0.000 1.044 315 V CA 2.056 64.071 62.300 -0.475 0.000 1.036 315 V CB -0.639 30.899 31.823 -0.475 0.000 0.664 315 V HN 0.581 nan 8.190 nan 0.000 0.453 316 Q N -0.339 119.444 119.800 -0.029 0.000 2.084 316 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 316 Q C 2.291 178.329 176.000 0.063 0.000 0.978 316 Q CA 1.681 57.503 55.803 0.031 0.000 0.844 316 Q CB -0.215 28.550 28.738 0.044 0.000 0.898 316 Q HN 0.567 nan 8.270 nan 0.000 0.426 317 I N 0.734 121.341 120.570 0.063 0.000 2.142 317 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 317 I C 2.467 178.668 176.117 0.140 0.000 1.078 317 I CA 1.040 62.400 61.300 0.100 0.000 1.343 317 I CB -0.442 37.611 38.000 0.089 0.000 1.046 317 I HN 0.162 nan 8.210 nan 0.000 0.405 318 A N 0.789 123.675 122.820 0.110 0.000 1.940 318 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 318 A C 2.040 179.709 177.584 0.142 0.000 1.176 318 A CA 2.399 54.523 52.037 0.145 0.000 0.631 318 A CB -0.905 18.231 19.000 0.226 0.000 0.814 318 A HN 0.500 nan 8.150 nan 0.000 0.446 319 N N -1.222 117.553 118.700 0.125 0.000 2.166 319 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 319 N C 1.360 176.944 175.510 0.123 0.000 1.019 319 N CA 1.812 54.936 53.050 0.124 0.000 0.856 319 N CB -0.411 38.137 38.487 0.101 0.000 0.993 319 N HN 0.423 nan 8.380 nan 0.000 0.426 320 F N 0.964 120.902 119.950 -0.020 0.000 2.074 320 F HA 0.125 4.652 4.527 -0.000 0.000 0.293 320 F C 2.031 177.747 175.800 -0.139 0.000 1.116 320 F CA 1.115 59.063 58.000 -0.087 0.000 1.212 320 F CB -0.461 38.486 39.000 -0.090 0.000 0.998 320 F HN 0.021 nan 8.300 nan 0.000 0.471 321 I N 0.239 120.786 120.570 -0.040 0.000 2.315 321 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 321 I C 2.004 178.103 176.117 -0.030 0.000 1.125 321 I CA 1.759 62.993 61.300 -0.110 0.000 1.392 321 I CB -0.728 37.315 38.000 0.071 0.000 1.065 321 I HN 0.341 nan 8.210 nan 0.000 0.424 322 S N -0.464 115.279 115.700 0.071 0.000 2.597 322 S HA 0.084 4.554 4.470 -0.000 0.000 0.224 322 S C 0.672 175.491 174.600 0.365 0.000 0.955 322 S CA -0.498 57.840 58.200 0.230 0.000 0.933 322 S CB -0.503 62.798 63.200 0.167 0.000 0.788 322 S HN 0.365 nan 8.310 nan 0.000 0.488 323 F N 1.106 120.980 119.950 -0.127 0.000 3.093 323 F HA -0.155 4.372 4.527 -0.000 0.000 0.287 323 F C 1.554 177.327 175.800 -0.044 0.000 0.882 323 F CA 0.674 58.601 58.000 -0.122 0.000 1.063 323 F CB -2.005 36.931 39.000 -0.106 0.000 1.097 323 F HN 0.588 nan 8.300 nan 0.000 0.604 324 G N -0.914 107.957 108.800 0.119 0.000 2.234 324 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.260 324 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.260 324 G C 1.139 176.108 174.900 0.115 0.000 0.987 324 G CA 0.236 45.401 45.100 0.108 0.000 0.625 324 G HN 0.544 nan 8.290 nan 0.000 0.532 325 I N 0.658 121.303 120.570 0.125 0.000 2.194 325 I HA -0.061 4.109 4.170 -0.000 0.000 0.246 325 I C 1.435 177.657 176.117 0.174 0.000 1.093 325 I CA 1.342 62.704 61.300 0.104 0.000 1.355 325 I CB -0.152 37.907 38.000 0.098 0.000 1.046 325 I HN 0.218 nan 8.210 nan 0.000 0.413 326 I N 2.155 122.858 120.570 0.223 0.000 2.316 326 I HA 0.078 4.248 4.170 -0.000 0.000 0.286 326 I C -0.360 175.905 176.117 0.247 0.000 1.107 326 I CA -0.700 60.786 61.300 0.310 0.000 1.219 326 I CB -0.160 37.997 38.000 0.261 0.000 1.455 326 I HN 0.164 nan 8.210 nan 0.000 0.498 327 D N 4.479 125.018 120.400 0.232 0.000 2.511 327 D HA 0.293 4.933 4.640 -0.000 0.000 0.276 327 D C 1.283 177.698 176.300 0.192 0.000 1.220 327 D CA -0.622 53.478 54.000 0.167 0.000 1.077 327 D CB 0.778 41.652 40.800 0.124 0.000 1.126 327 D HN 0.275 nan 8.370 nan 0.000 0.583 328 A N -0.554 122.340 122.820 0.124 0.000 1.940 328 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 328 A C 1.997 179.692 177.584 0.186 0.000 1.176 328 A CA 2.273 54.384 52.037 0.125 0.000 0.631 328 A CB -0.911 18.126 19.000 0.063 0.000 0.814 328 A HN 0.668 nan 8.150 nan 0.000 0.446 329 K N -1.574 118.925 120.400 0.165 0.000 1.991 329 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 329 K C 1.811 178.556 176.600 0.242 0.000 1.049 329 K CA 1.981 58.369 56.287 0.169 0.000 0.932 329 K CB -0.397 32.185 32.500 0.136 0.000 0.717 329 K HN 0.347 nan 8.250 nan 0.000 0.441 330 F N 0.783 120.778 119.950 0.075 0.000 2.234 330 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 330 F C 1.805 177.631 175.800 0.043 0.000 1.087 330 F CA 0.567 58.594 58.000 0.045 0.000 1.340 330 F CB -0.538 38.480 39.000 0.030 0.000 1.031 330 F HN 0.087 nan 8.300 nan 0.000 0.500 331 F N 0.638 120.530 119.950 -0.096 0.000 2.134 331 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 331 F C 2.450 178.080 175.800 -0.283 0.000 1.097 331 F CA 1.818 59.651 58.000 -0.279 0.000 1.264 331 F CB -1.033 37.844 39.000 -0.205 0.000 1.001 331 F HN -0.034 nan 8.300 nan 0.000 0.479 332 G N -0.273 108.644 108.800 0.195 0.000 2.418 332 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 332 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 332 G C 1.751 176.672 174.900 0.034 0.000 1.158 332 G CA 1.175 46.389 45.100 0.189 0.000 0.771 332 G HN 0.334 nan 8.290 nan 0.000 0.545 333 V N 0.764 120.685 119.914 0.011 0.000 2.358 333 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 333 V C 2.892 178.977 176.094 -0.016 0.000 1.047 333 V CA 1.356 63.682 62.300 0.043 0.000 1.035 333 V CB -0.361 31.549 31.823 0.144 0.000 0.658 333 V HN 0.332 nan 8.190 nan 0.000 0.452 334 L N -0.038 120.993 121.223 -0.320 0.000 2.056 334 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 334 L C 2.728 179.427 176.870 -0.284 0.000 1.078 334 L CA 1.448 56.042 54.840 -0.410 0.000 0.749 334 L CB -0.754 40.831 42.059 -0.789 0.000 0.901 334 L HN 0.346 nan 8.230 nan 0.000 0.433 335 A N -0.300 122.286 122.820 -0.389 0.000 1.877 335 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 335 A C 2.340 180.027 177.584 0.172 0.000 1.186 335 A CA 2.047 53.963 52.037 -0.202 0.000 0.620 335 A CB -0.537 18.287 19.000 -0.293 0.000 0.822 335 A HN 0.412 nan 8.150 nan 0.000 0.443 336 M N -1.836 117.801 119.600 0.061 0.000 2.067 336 M HA -0.105 4.375 4.480 -0.000 0.000 0.260 336 M C 1.867 178.113 176.300 -0.089 0.000 1.069 336 M CA 1.933 57.231 55.300 -0.004 0.000 1.117 336 M CB -0.212 32.287 32.600 -0.168 0.000 1.334 336 M HN 0.375 nan 8.290 nan 0.000 0.407 337 F N -0.007 119.927 119.950 -0.027 0.000 2.234 337 F HA 0.011 4.538 4.527 -0.000 0.000 0.299 337 F C 2.461 178.277 175.800 0.026 0.000 1.087 337 F CA 1.460 59.431 58.000 -0.048 0.000 1.340 337 F CB -1.123 37.817 39.000 -0.100 0.000 1.031 337 F HN 0.264 nan 8.300 nan 0.000 0.500 338 G N -0.505 108.429 108.800 0.223 0.000 2.432 338 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 338 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 338 G C 1.903 177.022 174.900 0.366 0.000 1.135 338 G CA 0.730 45.993 45.100 0.273 0.000 0.767 338 G HN 0.427 nan 8.290 nan 0.000 0.550 339 A N 0.587 123.603 122.820 0.328 0.000 1.972 339 A HA 0.072 4.392 4.320 -0.000 0.000 0.219 339 A C 2.352 180.089 177.584 0.255 0.000 1.169 339 A CA 1.194 53.282 52.037 0.086 0.000 0.635 339 A CB -0.268 18.652 19.000 -0.132 0.000 0.810 339 A HN 0.400 nan 8.150 nan 0.000 0.446 340 I N -1.105 119.586 120.570 0.203 0.000 2.333 340 I HA -0.139 4.031 4.170 -0.000 0.000 0.246 340 I C 2.323 178.515 176.117 0.125 0.000 1.106 340 I CA 0.778 62.181 61.300 0.171 0.000 1.411 340 I CB -0.212 37.811 38.000 0.039 0.000 1.082 340 I HN 0.372 nan 8.210 nan 0.000 0.420 341 L N 1.172 122.473 121.223 0.129 0.000 2.083 341 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 341 L C 2.486 179.390 176.870 0.057 0.000 1.083 341 L CA 1.876 56.778 54.840 0.103 0.000 0.752 341 L CB -0.524 41.599 42.059 0.108 0.000 0.899 341 L HN 0.243 nan 8.230 nan 0.000 0.433 342 V N -2.727 117.195 119.914 0.014 0.000 2.626 342 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 342 V C 2.393 178.229 176.094 -0.430 0.000 1.067 342 V CA 1.848 64.080 62.300 -0.114 0.000 1.081 342 V CB -1.049 30.733 31.823 -0.068 0.000 0.686 342 V HN 0.616 nan 8.190 nan 0.000 0.468 343 M N 0.940 120.230 119.600 -0.517 0.000 2.229 343 M HA 0.064 4.544 4.480 -0.000 0.000 0.264 343 M C 2.168 178.510 176.300 0.071 0.000 1.063 343 M CA 1.840 56.813 55.300 -0.545 0.000 1.114 343 M CB -0.279 32.204 32.600 -0.195 0.000 1.387 343 M HN 0.444 nan 8.290 nan 0.000 0.420 344 A N 0.275 123.187 122.820 0.153 0.000 1.968 344 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 344 A C 1.832 179.694 177.584 0.464 0.000 1.169 344 A CA 1.058 53.311 52.037 0.360 0.000 0.638 344 A CB -0.730 18.390 19.000 0.200 0.000 0.812 344 A HN 0.588 nan 8.150 nan 0.000 0.446 345 L N -0.703 120.689 121.223 0.283 0.000 2.591 345 L HA 0.031 4.371 4.340 -0.000 0.000 0.228 345 L C 2.131 179.190 176.870 0.315 0.000 1.133 345 L CA 0.015 55.091 54.840 0.394 0.000 0.880 345 L CB -0.129 42.067 42.059 0.230 0.000 1.033 345 L HN 0.252 nan 8.230 nan 0.000 0.450 346 V N 1.925 121.871 119.914 0.054 0.000 2.439 346 V HA -0.212 3.908 4.120 -0.000 0.000 0.253 346 V C -0.309 175.625 176.094 -0.268 0.000 1.074 346 V CA 2.071 64.276 62.300 -0.159 0.000 1.076 346 V CB -0.563 30.974 31.823 -0.477 0.000 0.664 346 V HN 0.320 nan 8.190 nan 0.000 0.461 347 P HA -0.126 nan 4.420 nan 0.000 0.218 347 P C 1.163 178.139 177.300 -0.540 0.000 1.148 347 P CA 1.619 64.412 63.100 -0.510 0.000 0.822 347 P CB -0.135 30.897 31.700 -1.114 0.000 0.784 348 W N -1.814 119.500 121.300 0.024 0.000 3.278 348 W HA 0.311 4.971 4.660 0.000 0.000 0.308 348 W C 1.220 177.748 176.519 0.016 0.000 1.253 348 W CA 0.154 57.513 57.345 0.024 0.000 1.759 348 W CB -0.118 29.358 29.460 0.027 0.000 1.093 348 W HN 0.011 nan 8.180 nan 0.000 0.648 349 L N -0.648 120.671 121.223 0.161 0.000 2.470 349 L HA 0.114 4.454 4.340 -0.000 0.000 0.219 349 L C 0.730 177.615 176.870 0.025 0.000 1.071 349 L CA 0.464 55.363 54.840 0.097 0.000 0.850 349 L CB -0.148 41.977 42.059 0.110 0.000 1.040 349 L HN -0.339 nan 8.230 nan 0.000 0.475 350 D N 0.858 121.269 120.400 0.018 0.000 2.374 350 D HA 0.020 4.660 4.640 -0.000 0.000 0.240 350 D C 1.093 177.385 176.300 -0.014 0.000 1.229 350 D CA 0.101 54.108 54.000 0.012 0.000 0.895 350 D CB 1.358 42.227 40.800 0.114 0.000 1.046 350 D HN 0.115 nan 8.370 nan 0.000 0.498 351 T N 0.018 114.559 114.554 -0.021 0.000 3.100 351 T HA 0.017 4.367 4.350 -0.000 0.000 0.253 351 T C 1.126 175.801 174.700 -0.041 0.000 1.118 351 T CA -0.353 61.733 62.100 -0.024 0.000 1.058 351 T CB 0.065 68.927 68.868 -0.011 0.000 0.953 351 T HN 0.211 nan 8.240 nan 0.000 0.515 352 S N 3.213 118.881 115.700 -0.053 0.000 2.549 352 S HA 0.217 4.687 4.470 -0.000 0.000 0.283 352 S C -1.227 173.314 174.600 -0.099 0.000 1.320 352 S CA -1.255 56.903 58.200 -0.070 0.000 1.058 352 S CB 0.976 64.124 63.200 -0.088 0.000 0.882 352 S HN 0.212 nan 8.310 nan 0.000 0.498 353 P HA 0.120 nan 4.420 nan 0.000 0.255 353 P C -0.215 177.019 177.300 -0.109 0.000 1.248 353 P CA 0.061 63.105 63.100 -0.093 0.000 0.807 353 P CB 0.054 31.715 31.700 -0.064 0.000 1.150 354 V N 2.268 122.110 119.914 -0.119 0.000 2.427 354 V HA 0.154 4.274 4.120 -0.000 0.000 0.268 354 V C 2.177 178.154 176.094 -0.194 0.000 1.046 354 V CA -0.045 62.182 62.300 -0.120 0.000 0.970 354 V CB 0.816 32.581 31.823 -0.097 0.000 1.001 354 V HN 0.032 nan 8.190 nan 0.000 0.476 355 R N 2.998 123.398 120.500 -0.166 0.000 2.064 355 R HA -0.062 4.278 4.340 -0.000 0.000 0.228 355 R C 1.355 177.482 176.300 -0.288 0.000 1.144 355 R CA 1.390 57.352 56.100 -0.230 0.000 0.932 355 R CB -0.049 30.159 30.300 -0.153 0.000 0.833 355 R HN 0.645 nan 8.270 nan 0.000 0.429 356 S N -0.654 114.941 115.700 -0.174 0.000 2.499 356 S HA 0.186 4.656 4.470 -0.000 0.000 0.275 356 S C 0.827 175.110 174.600 -0.529 0.000 1.257 356 S CA -0.317 57.726 58.200 -0.263 0.000 1.050 356 S CB 1.589 64.747 63.200 -0.069 0.000 0.937 356 S HN 0.452 nan 8.310 nan 0.000 0.490 357 G N 3.967 112.210 108.800 -0.927 0.000 2.882 357 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.206 357 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.206 357 G C 1.246 175.669 174.900 -0.795 0.000 1.155 357 G CA 0.020 44.441 45.100 -1.131 0.000 0.800 357 G HN 0.792 nan 8.290 nan 0.000 0.524 358 R N -0.539 119.524 120.500 -0.728 0.000 2.148 358 R HA -0.010 4.330 4.340 -0.000 0.000 0.223 358 R C 0.476 176.451 176.300 -0.542 0.000 1.088 358 R CA 0.709 56.476 56.100 -0.554 0.000 0.985 358 R CB -0.072 29.809 30.300 -0.698 0.000 0.880 358 R HN 0.404 nan 8.270 nan 0.000 0.451 359 Y N 0.199 120.446 120.300 -0.088 0.000 2.756 359 Y HA 0.395 4.945 4.550 -0.000 0.000 0.300 359 Y C -0.485 175.375 175.900 -0.067 0.000 1.113 359 Y CA -0.503 57.565 58.100 -0.053 0.000 1.291 359 Y CB 0.454 38.880 38.460 -0.056 0.000 1.175 359 Y HN -0.191 nan 8.280 nan 0.000 0.534 360 R N 0.275 120.772 120.500 -0.005 0.000 2.487 360 R HA 0.264 4.604 4.340 -0.000 0.000 0.288 360 R C -2.427 173.952 176.300 0.132 0.000 1.394 360 R CA -1.522 54.598 56.100 0.033 0.000 1.155 360 R CB 1.180 31.426 30.300 -0.090 0.000 1.156 360 R HN 0.014 nan 8.270 nan 0.000 0.553 361 P HA -0.154 nan 4.420 nan 0.000 0.215 361 P C 1.023 178.410 177.300 0.146 0.000 1.153 361 P CA 1.508 64.687 63.100 0.131 0.000 0.853 361 P CB 0.281 32.041 31.700 0.100 0.000 0.788 362 M N -3.080 116.621 119.600 0.168 0.000 2.193 362 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 362 M C 2.008 178.457 176.300 0.248 0.000 1.071 362 M CA 1.311 56.718 55.300 0.178 0.000 1.140 362 M CB -0.685 32.055 32.600 0.233 0.000 1.369 362 M HN -0.137 nan 8.290 nan 0.000 0.423 363 F N 1.803 121.847 119.950 0.156 0.000 2.091 363 F HA -0.285 4.242 4.527 -0.000 0.000 0.299 363 F C 2.179 178.108 175.800 0.215 0.000 1.103 363 F CA 1.867 59.976 58.000 0.182 0.000 1.228 363 F CB -0.248 38.773 39.000 0.035 0.000 0.984 363 F HN -0.050 nan 8.300 nan 0.000 0.477 364 K N 0.012 120.654 120.400 0.403 0.000 2.089 364 K HA -0.239 4.081 4.320 -0.000 0.000 0.210 364 K C 1.981 178.803 176.600 0.370 0.000 1.048 364 K CA 1.829 58.370 56.287 0.422 0.000 0.926 364 K CB -0.412 32.335 32.500 0.411 0.000 0.714 364 K HN 0.313 nan 8.250 nan 0.000 0.448 365 I N 0.071 120.721 120.570 0.133 0.000 2.163 365 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 365 I C 2.210 178.269 176.117 -0.097 0.000 1.081 365 I CA 1.650 62.928 61.300 -0.037 0.000 1.353 365 I CB -1.275 36.533 38.000 -0.320 0.000 1.054 365 I HN 0.116 nan 8.210 nan 0.000 0.407 366 Y N 0.099 120.473 120.300 0.123 0.000 2.242 366 Y HA -0.243 4.307 4.550 -0.000 0.000 0.291 366 Y C 2.517 178.474 175.900 0.096 0.000 1.137 366 Y CA 1.124 59.332 58.100 0.179 0.000 1.181 366 Y CB -1.125 37.414 38.460 0.133 0.000 0.989 366 Y HN 0.075 nan 8.280 nan 0.000 0.527 367 F N -0.904 118.975 119.950 -0.119 0.000 2.069 367 F HA -0.254 4.273 4.527 0.000 0.000 0.298 367 F C 1.697 177.304 175.800 -0.320 0.000 1.113 367 F CA 1.582 59.359 58.000 -0.371 0.000 1.214 367 F CB -0.733 37.948 39.000 -0.533 0.000 0.978 367 F HN 0.011 nan 8.300 nan 0.000 0.474 368 W N 0.521 121.832 121.300 0.018 0.000 2.421 368 W HA -0.082 4.578 4.660 -0.000 0.000 0.270 368 W C 2.184 178.580 176.519 -0.206 0.000 1.233 368 W CA 0.701 57.988 57.345 -0.097 0.000 1.226 368 W CB -0.393 29.101 29.460 0.056 0.000 1.121 368 W HN 0.081 nan 8.180 nan 0.000 0.579 369 L N -0.749 120.459 121.223 -0.026 0.000 2.109 369 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 369 L C 2.345 179.090 176.870 -0.207 0.000 1.086 369 L CA 0.558 55.285 54.840 -0.187 0.000 0.760 369 L CB -0.764 41.092 42.059 -0.338 0.000 0.910 369 L HN 0.026 nan 8.230 nan 0.000 0.437 370 L N 0.106 121.231 121.223 -0.165 0.000 2.017 370 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 370 L C 2.633 179.424 176.870 -0.131 0.000 1.073 370 L CA 2.005 56.730 54.840 -0.193 0.000 0.745 370 L CB -0.636 40.890 42.059 -0.889 0.000 0.894 370 L HN 0.146 nan 8.230 nan 0.000 0.432 371 A N -0.425 122.147 122.820 -0.414 0.000 1.883 371 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 371 A C 2.451 179.937 177.584 -0.164 0.000 1.186 371 A CA 2.031 53.770 52.037 -0.496 0.000 0.624 371 A CB -1.295 17.332 19.000 -0.620 0.000 0.822 371 A HN 0.572 nan 8.150 nan 0.000 0.444 372 A N -0.409 122.367 122.820 -0.074 0.000 1.933 372 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 372 A C 1.840 179.426 177.584 0.002 0.000 1.175 372 A CA 2.164 54.183 52.037 -0.030 0.000 0.628 372 A CB -0.675 18.298 19.000 -0.045 0.000 0.814 372 A HN 0.528 nan 8.150 nan 0.000 0.444 373 D N -1.301 119.121 120.400 0.036 0.000 2.117 373 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 373 D C 1.600 178.006 176.300 0.177 0.000 0.987 373 D CA 1.319 55.398 54.000 0.131 0.000 0.829 373 D CB -0.295 40.672 40.800 0.278 0.000 0.961 373 D HN 0.363 nan 8.370 nan 0.000 0.460 374 F N 0.376 120.381 119.950 0.091 0.000 2.095 374 F HA -0.188 4.339 4.527 0.000 0.000 0.298 374 F C 2.205 177.969 175.800 -0.060 0.000 1.104 374 F CA 1.145 59.158 58.000 0.021 0.000 1.232 374 F CB -0.384 38.663 39.000 0.079 0.000 0.987 374 F HN -0.116 nan 8.300 nan 0.000 0.475 375 V N 0.566 120.512 119.914 0.055 0.000 2.343 375 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 375 V C 2.394 178.492 176.094 0.008 0.000 1.051 375 V CA 2.058 64.356 62.300 -0.003 0.000 1.036 375 V CB -0.624 31.207 31.823 0.012 0.000 0.654 375 V HN 0.350 nan 8.190 nan 0.000 0.451 376 I N -0.558 120.029 120.570 0.029 0.000 2.179 376 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 376 I C 2.359 178.555 176.117 0.132 0.000 1.088 376 I CA 1.546 62.920 61.300 0.122 0.000 1.357 376 I CB -0.326 37.723 38.000 0.082 0.000 1.051 376 I HN 0.240 nan 8.210 nan 0.000 0.409 377 L N 0.025 121.224 121.223 -0.040 0.000 2.042 377 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 377 L C 2.654 179.401 176.870 -0.204 0.000 1.076 377 L CA 1.701 56.444 54.840 -0.162 0.000 0.749 377 L CB -0.862 40.996 42.059 -0.334 0.000 0.893 377 L HN 0.277 nan 8.230 nan 0.000 0.432 378 T N -1.484 112.911 114.554 -0.266 0.000 2.708 378 T HA -0.270 4.080 4.350 -0.000 0.000 0.266 378 T C 1.309 175.977 174.700 -0.054 0.000 1.037 378 T CA 1.744 63.723 62.100 -0.202 0.000 1.146 378 T CB -0.420 68.329 68.868 -0.198 0.000 0.865 378 T HN 0.547 nan 8.240 nan 0.000 0.435 379 W N 2.478 123.695 121.300 -0.138 0.000 2.358 379 W HA -0.164 4.496 4.660 -0.000 0.000 0.303 379 W C 2.099 178.549 176.519 -0.116 0.000 1.208 379 W CA 1.209 58.490 57.345 -0.107 0.000 1.274 379 W CB -0.478 28.931 29.460 -0.086 0.000 1.138 379 W HN 0.117 nan 8.180 nan 0.000 0.515 380 V N 0.160 119.897 119.914 -0.296 0.000 2.515 380 V HA -0.013 4.107 4.120 -0.000 0.000 0.250 380 V C 2.243 178.069 176.094 -0.446 0.000 1.058 380 V CA 1.856 63.806 62.300 -0.583 0.000 1.064 380 V CB -2.017 29.684 31.823 -0.203 0.000 0.675 380 V HN 0.315 nan 8.190 nan 0.000 0.461 381 G N 0.412 109.065 108.800 -0.244 0.000 2.475 381 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 381 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 381 G C 1.486 176.363 174.900 -0.038 0.000 1.125 381 G CA 1.053 46.130 45.100 -0.039 0.000 0.755 381 G HN 0.853 nan 8.290 nan 0.000 0.565 382 A N -1.015 121.653 122.820 -0.254 0.000 2.251 382 A HA 0.335 4.655 4.320 -0.000 0.000 0.209 382 A C 1.344 178.694 177.584 -0.390 0.000 1.187 382 A CA 0.269 52.146 52.037 -0.266 0.000 0.823 382 A CB 0.069 18.906 19.000 -0.272 0.000 0.846 382 A HN 0.318 nan 8.150 nan 0.000 0.486 383 Q N 0.104 119.554 119.800 -0.583 0.000 2.169 383 Q HA 0.373 4.713 4.340 -0.000 0.000 0.234 383 Q C -0.236 175.487 176.000 -0.461 0.000 0.980 383 Q CA -0.257 55.087 55.803 -0.765 0.000 0.941 383 Q CB 0.356 28.210 28.738 -1.474 0.000 1.199 383 Q HN 0.599 nan 8.270 nan 0.000 0.496 384 Q N -0.181 119.378 119.800 -0.402 0.000 2.407 384 Q HA 0.178 4.518 4.340 -0.000 0.000 0.214 384 Q C 0.908 176.879 176.000 -0.050 0.000 1.043 384 Q CA 0.149 55.877 55.803 -0.125 0.000 0.983 384 Q CB 0.365 29.102 28.738 -0.002 0.000 1.211 384 Q HN 0.711 nan 8.270 nan 0.000 0.564 385 T N -3.699 110.852 114.554 -0.005 0.000 3.129 385 T HA -0.009 4.341 4.350 -0.000 0.000 0.251 385 T C 0.926 175.658 174.700 0.053 0.000 1.117 385 T CA 0.203 62.297 62.100 -0.010 0.000 1.034 385 T CB -0.473 68.365 68.868 -0.050 0.000 0.968 385 T HN 0.718 nan 8.240 nan 0.000 0.526 386 T N 0.429 115.061 114.554 0.129 0.000 2.766 386 T HA 0.406 4.756 4.350 -0.000 0.000 0.295 386 T C -0.047 174.733 174.700 0.134 0.000 1.024 386 T CA -0.959 61.231 62.100 0.149 0.000 1.018 386 T CB 0.150 69.119 68.868 0.168 0.000 1.002 386 T HN 0.217 nan 8.240 nan 0.000 0.532 387 F N 3.271 123.232 119.950 0.018 0.000 2.518 387 F HA 0.353 4.880 4.527 0.000 0.000 0.359 387 F C -1.290 174.382 175.800 -0.212 0.000 1.118 387 F CA -2.049 55.943 58.000 -0.013 0.000 1.287 387 F CB 0.779 39.800 39.000 0.035 0.000 1.132 387 F HN 0.419 nan 8.300 nan 0.000 0.587 388 P HA -0.010 nan 4.420 nan 0.000 0.261 388 P C 0.719 177.648 177.300 -0.618 0.000 1.268 388 P CA 0.579 62.748 63.100 -1.551 0.000 0.833 388 P CB -0.060 30.708 31.700 -1.553 0.000 1.231 389 Y N 2.686 122.853 120.300 -0.222 0.000 2.207 389 Y HA -0.229 4.321 4.550 -0.000 0.000 0.287 389 Y C 2.311 178.118 175.900 -0.155 0.000 1.156 389 Y CA 1.703 59.712 58.100 -0.151 0.000 1.182 389 Y CB -1.635 36.715 38.460 -0.183 0.000 0.979 389 Y HN 0.112 nan 8.280 nan 0.000 0.521 390 D N -1.465 118.910 120.400 -0.042 0.000 2.149 390 D HA -0.259 4.381 4.640 -0.000 0.000 0.198 390 D C 1.758 177.890 176.300 -0.280 0.000 0.990 390 D CA 1.435 55.330 54.000 -0.175 0.000 0.839 390 D CB -1.140 39.547 40.800 -0.188 0.000 0.948 390 D HN 0.435 nan 8.370 nan 0.000 0.460 391 W N 0.656 121.849 121.300 -0.179 0.000 2.407 391 W HA 0.221 4.881 4.660 -0.000 0.000 0.305 391 W C 2.578 179.022 176.519 -0.126 0.000 1.196 391 W CA 0.234 57.482 57.345 -0.162 0.000 1.311 391 W CB -0.269 29.086 29.460 -0.174 0.000 1.135 391 W HN -0.120 nan 8.180 nan 0.000 0.514 392 I N 0.357 120.993 120.570 0.111 0.000 2.208 392 I HA -0.383 3.787 4.170 -0.000 0.000 0.245 392 I C 2.639 178.790 176.117 0.056 0.000 1.097 392 I CA 1.870 63.234 61.300 0.106 0.000 1.363 392 I CB -0.893 37.209 38.000 0.171 0.000 1.051 392 I HN -0.033 nan 8.210 nan 0.000 0.413 393 S N 1.070 116.757 115.700 -0.022 0.000 2.382 393 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 393 S C 2.035 176.552 174.600 -0.137 0.000 1.027 393 S CA 0.922 59.064 58.200 -0.097 0.000 0.991 393 S CB -0.835 62.254 63.200 -0.185 0.000 0.823 393 S HN 0.409 nan 8.310 nan 0.000 0.469 394 L N 0.660 121.761 121.223 -0.203 0.000 2.046 394 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 394 L C 2.620 179.481 176.870 -0.015 0.000 1.077 394 L CA 1.415 56.112 54.840 -0.237 0.000 0.747 394 L CB -0.492 41.338 42.059 -0.380 0.000 0.896 394 L HN 0.351 nan 8.230 nan 0.000 0.432 395 I N -0.427 120.184 120.570 0.068 0.000 2.202 395 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 395 I C 2.786 179.022 176.117 0.199 0.000 1.091 395 I CA 1.134 62.528 61.300 0.156 0.000 1.368 395 I CB -0.500 37.596 38.000 0.161 0.000 1.058 395 I HN 0.187 nan 8.210 nan 0.000 0.410 396 A N 0.368 123.282 122.820 0.157 0.000 1.902 396 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 396 A C 2.497 180.249 177.584 0.279 0.000 1.181 396 A CA 2.246 54.403 52.037 0.200 0.000 0.623 396 A CB -0.733 18.336 19.000 0.115 0.000 0.818 396 A HN 0.402 nan 8.150 nan 0.000 0.443 397 S N 0.047 115.876 115.700 0.215 0.000 2.368 397 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 397 S C 2.312 177.237 174.600 0.541 0.000 1.030 397 S CA 1.136 59.544 58.200 0.347 0.000 0.999 397 S CB -0.519 62.856 63.200 0.291 0.000 0.844 397 S HN 0.805 nan 8.310 nan 0.000 0.459 398 A N 0.833 123.901 122.820 0.414 0.000 1.883 398 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 398 A C 1.979 179.794 177.584 0.385 0.000 1.186 398 A CA 1.738 54.016 52.037 0.401 0.000 0.624 398 A CB -1.109 18.060 19.000 0.282 0.000 0.822 398 A HN 0.556 nan 8.150 nan 0.000 0.444 399 Y N -1.021 119.446 120.300 0.278 0.000 2.207 399 Y HA -0.246 4.304 4.550 -0.000 0.000 0.287 399 Y C 2.288 178.342 175.900 0.256 0.000 1.156 399 Y CA 1.689 59.928 58.100 0.232 0.000 1.182 399 Y CB -0.313 38.257 38.460 0.183 0.000 0.979 399 Y HN 0.577 nan 8.280 nan 0.000 0.521 400 W N 0.099 121.480 121.300 0.134 0.000 2.333 400 W HA -0.303 4.357 4.660 -0.000 0.000 0.316 400 W C 1.497 178.033 176.519 0.030 0.000 1.215 400 W CA 2.121 59.491 57.345 0.042 0.000 1.278 400 W CB -0.980 28.470 29.460 -0.017 0.000 1.154 400 W HN 0.167 nan 8.180 nan 0.000 0.486 401 F N 0.850 121.013 119.950 0.355 0.000 2.325 401 F HA -0.051 4.476 4.527 0.000 0.000 0.299 401 F C 2.678 178.523 175.800 0.074 0.000 1.090 401 F CA 1.762 59.916 58.000 0.256 0.000 1.392 401 F CB -1.224 37.926 39.000 0.250 0.000 1.053 401 F HN -0.118 nan 8.300 nan 0.000 0.521 402 A N -0.545 122.347 122.820 0.120 0.000 1.877 402 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 402 A C 2.053 179.479 177.584 -0.264 0.000 1.186 402 A CA 1.540 53.535 52.037 -0.071 0.000 0.620 402 A CB -1.476 17.446 19.000 -0.130 0.000 0.822 402 A HN 0.468 nan 8.150 nan 0.000 0.443 403 Y N -0.416 119.501 120.300 -0.638 0.000 2.081 403 Y HA -0.295 4.255 4.550 -0.000 0.000 0.280 403 Y C 1.960 177.468 175.900 -0.654 0.000 1.163 403 Y CA 2.436 60.059 58.100 -0.795 0.000 1.135 403 Y CB -0.465 37.346 38.460 -1.082 0.000 0.970 403 Y HN 0.285 nan 8.280 nan 0.000 0.498 404 F N -0.745 119.052 119.950 -0.255 0.000 2.187 404 F HA -0.077 4.450 4.527 -0.000 0.000 0.295 404 F C 2.105 177.812 175.800 -0.155 0.000 1.091 404 F CA 1.138 59.001 58.000 -0.228 0.000 1.308 404 F CB -0.557 38.355 39.000 -0.147 0.000 1.030 404 F HN -0.026 nan 8.300 nan 0.000 0.487 405 L N -1.279 120.009 121.223 0.108 0.000 2.270 405 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 405 L C 1.615 178.480 176.870 -0.008 0.000 1.104 405 L CA 0.309 55.197 54.840 0.079 0.000 0.804 405 L CB -0.215 41.931 42.059 0.146 0.000 0.937 405 L HN 0.013 nan 8.230 nan 0.000 0.450 406 V N -1.061 118.804 119.914 -0.082 0.000 3.097 406 V HA 0.028 4.148 4.120 -0.000 0.000 0.223 406 V C 2.029 177.998 176.094 -0.208 0.000 1.199 406 V CA 0.179 62.411 62.300 -0.112 0.000 1.260 406 V CB 0.212 31.983 31.823 -0.087 0.000 1.155 406 V HN 0.074 nan 8.190 nan 0.000 0.509 407 I N 0.589 120.955 120.570 -0.340 0.000 2.151 407 I HA -0.295 3.874 4.170 -0.000 0.000 0.243 407 I C 2.383 178.236 176.117 -0.441 0.000 1.080 407 I CA 1.921 62.927 61.300 -0.490 0.000 1.339 407 I CB -0.338 37.211 38.000 -0.751 0.000 1.039 407 I HN 0.262 nan 8.210 nan 0.000 0.409 408 L N 0.004 120.929 121.223 -0.496 0.000 2.109 408 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 408 L C -0.300 176.470 176.870 -0.167 0.000 1.086 408 L CA 1.255 55.886 54.840 -0.349 0.000 0.760 408 L CB -1.703 40.104 42.059 -0.421 0.000 0.910 408 L HN 0.192 nan 8.230 nan 0.000 0.437 409 P HA -0.112 nan 4.420 nan 0.000 0.219 409 P C 1.774 179.037 177.300 -0.061 0.000 1.150 409 P CA 1.318 64.378 63.100 -0.067 0.000 0.814 409 P CB 0.190 31.865 31.700 -0.042 0.000 0.787 410 I N -1.295 119.222 120.570 -0.089 0.000 2.233 410 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 410 I C 2.232 178.321 176.117 -0.047 0.000 1.093 410 I CA 1.018 62.278 61.300 -0.066 0.000 1.380 410 I CB -0.506 37.444 38.000 -0.084 0.000 1.067 410 I HN -0.146 nan 8.210 nan 0.000 0.413 411 L N 0.439 121.624 121.223 -0.063 0.000 2.129 411 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 411 L C 2.540 179.417 176.870 0.011 0.000 1.087 411 L CA 1.589 56.429 54.840 0.000 0.000 0.757 411 L CB -1.225 40.857 42.059 0.039 0.000 0.896 411 L HN 0.394 nan 8.230 nan 0.000 0.434 412 G N -0.491 108.302 108.800 -0.012 0.000 2.446 412 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 412 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 412 G C 1.607 176.502 174.900 -0.008 0.000 1.168 412 G CA 0.874 45.966 45.100 -0.013 0.000 0.771 412 G HN 0.515 nan 8.290 nan 0.000 0.551 413 A N -0.456 122.361 122.820 -0.005 0.000 2.095 413 A HA 0.443 4.763 4.320 -0.000 0.000 0.212 413 A C 2.150 179.739 177.584 0.007 0.000 1.162 413 A CA 0.354 52.391 52.037 -0.000 0.000 0.753 413 A CB 0.048 19.047 19.000 -0.001 0.000 0.840 413 A HN 0.351 nan 8.150 nan 0.000 0.468 414 I N -0.761 119.817 120.570 0.013 0.000 3.645 414 I HA 0.074 4.244 4.170 -0.000 0.000 0.300 414 I C 0.900 177.039 176.117 0.038 0.000 1.260 414 I CA 0.098 61.413 61.300 0.025 0.000 1.365 414 I CB 0.315 38.331 38.000 0.027 0.000 1.077 414 I HN 0.312 nan 8.210 nan 0.000 0.439 415 E N 2.087 122.312 120.200 0.043 0.000 2.343 415 E HA 0.109 4.459 4.350 -0.000 0.000 0.269 415 E C -0.291 176.333 176.600 0.041 0.000 1.047 415 E CA -0.462 55.972 56.400 0.056 0.000 0.874 415 E CB 0.769 30.515 29.700 0.076 0.000 1.033 415 E HN -0.180 nan 8.360 nan 0.000 0.409 416 K N 5.160 125.588 120.400 0.046 0.000 2.354 416 K HA 0.304 4.624 4.320 -0.000 0.000 0.257 416 K C -2.354 174.269 176.600 0.039 0.000 1.062 416 K CA -2.142 54.166 56.287 0.035 0.000 0.971 416 K CB 1.123 33.643 32.500 0.033 0.000 1.305 416 K HN 0.450 nan 8.250 nan 0.000 0.449 417 P HA 0.089 nan 4.420 nan 0.000 0.276 417 P C 0.263 177.583 177.300 0.033 0.000 1.235 417 P CA -0.383 62.737 63.100 0.035 0.000 0.772 417 P CB 0.976 32.683 31.700 0.011 0.000 0.871 418 V N 3.078 123.032 119.914 0.067 0.000 3.237 418 V HA 0.220 4.340 4.120 -0.000 0.000 0.305 418 V C 1.043 177.117 176.094 -0.033 0.000 1.096 418 V CA -0.017 62.312 62.300 0.048 0.000 1.130 418 V CB 0.731 32.626 31.823 0.120 0.000 1.048 418 V HN 0.794 nan 8.190 nan 0.000 0.484 419 A N 5.758 128.516 122.820 -0.103 0.000 2.331 419 A HA 0.698 5.018 4.320 -0.000 0.000 0.283 419 A C -2.092 175.215 177.584 -0.461 0.000 1.142 419 A CA -1.211 50.704 52.037 -0.204 0.000 0.812 419 A CB 0.264 19.183 19.000 -0.135 0.000 1.074 419 A HN 0.685 nan 8.150 nan 0.000 0.497 420 P HA 0.493 nan 4.420 nan 0.000 0.285 420 P C -2.735 174.309 177.300 -0.426 0.000 1.269 420 P CA -1.616 60.907 63.100 -0.962 0.000 0.844 420 P CB 0.250 31.510 31.700 -0.733 0.000 1.094 421 P HA 0.049 nan 4.420 nan 0.000 0.271 421 P C 0.678 177.917 177.300 -0.102 0.000 1.238 421 P CA 0.100 63.122 63.100 -0.130 0.000 0.794 421 P CB 0.156 31.828 31.700 -0.048 0.000 0.959 422 A N 0.057 122.838 122.820 -0.065 0.000 2.072 422 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 422 A C 0.781 178.344 177.584 -0.034 0.000 1.156 422 A CA 1.572 53.579 52.037 -0.051 0.000 0.701 422 A CB -0.611 18.365 19.000 -0.040 0.000 0.816 422 A HN 0.645 nan 8.150 nan 0.000 0.458 423 T N -4.840 109.701 114.554 -0.022 0.000 2.868 423 T HA 0.566 4.916 4.350 -0.000 0.000 0.306 423 T C 0.667 175.369 174.700 0.003 0.000 1.224 423 T CA -0.436 61.658 62.100 -0.010 0.000 1.012 423 T CB 0.726 69.592 68.868 -0.003 0.000 1.221 423 T HN -0.034 nan 8.240 nan 0.000 0.499 424 I N 0.842 121.411 120.570 -0.003 0.000 2.226 424 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 424 I C 2.811 178.954 176.117 0.044 0.000 1.100 424 I CA 1.749 63.047 61.300 -0.003 0.000 1.374 424 I CB -0.257 37.713 38.000 -0.049 0.000 1.057 424 I HN 0.946 nan 8.210 nan 0.000 0.413 425 E N 1.401 121.627 120.200 0.043 0.000 2.049 425 E HA -0.326 4.024 4.350 -0.000 0.000 0.198 425 E C 2.125 178.786 176.600 0.102 0.000 1.007 425 E CA 1.766 58.224 56.400 0.096 0.000 0.809 425 E CB -0.185 29.547 29.700 0.055 0.000 0.749 425 E HN 0.470 nan 8.360 nan 0.000 0.450 426 E N 0.397 120.627 120.200 0.050 0.000 2.049 426 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 426 E C 1.919 178.545 176.600 0.044 0.000 1.007 426 E CA 1.887 58.305 56.400 0.030 0.000 0.809 426 E CB -0.264 29.441 29.700 0.009 0.000 0.749 426 E HN 0.309 nan 8.360 nan 0.000 0.450 427 D N -0.516 119.922 120.400 0.063 0.000 2.123 427 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 427 D C 1.874 178.246 176.300 0.119 0.000 0.992 427 D CA 0.980 55.029 54.000 0.082 0.000 0.833 427 D CB -0.372 40.482 40.800 0.091 0.000 0.954 427 D HN 0.186 nan 8.370 nan 0.000 0.455 428 F N 1.395 121.322 119.950 -0.038 0.000 2.102 428 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 428 F C 1.969 177.741 175.800 -0.047 0.000 1.105 428 F CA 1.432 59.400 58.000 -0.053 0.000 1.239 428 F CB -0.740 38.221 39.000 -0.066 0.000 0.991 428 F HN -0.024 nan 8.300 nan 0.000 0.474 429 N N 1.074 119.690 118.700 -0.140 0.000 2.104 429 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 429 N C 1.231 176.629 175.510 -0.187 0.000 1.024 429 N CA 1.047 53.947 53.050 -0.250 0.000 0.853 429 N CB -1.136 37.282 38.487 -0.115 0.000 1.008 429 N HN 0.339 nan 8.380 nan 0.000 0.424 430 A N 0.000 122.768 122.820 -0.087 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 430 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486