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 2qjp_1_A 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 ANPLSTPAHI 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 -0.001 0.000 0.244 3 G C 0.000 174.883 174.900 -0.028 0.000 0.946 3 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 4 I N 1.677 122.221 120.570 -0.043 0.000 2.752 4 I HA 0.215 4.385 4.170 -0.001 0.000 0.287 4 I C -1.837 174.272 176.117 -0.013 0.000 1.188 4 I CA -1.604 59.684 61.300 -0.021 0.000 1.427 4 I CB 0.503 38.496 38.000 -0.011 0.000 1.365 4 I HN 0.143 nan 8.210 nan 0.000 0.585 5 P HA 0.118 nan 4.420 nan 0.000 0.268 5 P C -0.978 176.421 177.300 0.164 0.000 1.282 5 P CA 0.199 63.348 63.100 0.081 0.000 0.880 5 P CB -0.091 31.643 31.700 0.058 0.000 0.971 6 H N 0.646 119.750 119.070 0.056 0.000 3.196 6 H HA 0.682 5.238 4.556 -0.001 0.000 0.303 6 H C -1.058 174.317 175.328 0.079 0.000 1.605 6 H CA -1.380 54.716 56.048 0.080 0.000 1.351 6 H CB 1.356 31.181 29.762 0.106 0.000 1.860 6 H HN 0.158 nan 8.280 nan 0.000 0.697 7 D N -0.738 119.552 120.400 -0.183 0.000 2.248 7 D HA 0.168 4.807 4.640 -0.001 0.000 0.246 7 D C -0.159 176.014 176.300 -0.212 0.000 1.027 7 D CA -0.750 53.150 54.000 -0.167 0.000 0.853 7 D CB 0.949 41.772 40.800 0.038 0.000 1.243 7 D HN 0.743 nan 8.370 nan 0.000 0.462 8 H N -0.767 118.264 119.070 -0.065 0.000 2.745 8 H HA 0.175 4.731 4.556 -0.001 0.000 0.373 8 H C -0.441 174.916 175.328 0.048 0.000 1.226 8 H CA -1.117 54.969 56.048 0.063 0.000 1.435 8 H CB 0.381 30.188 29.762 0.075 0.000 1.461 8 H HN 0.535 nan 8.280 nan 0.000 0.616 9 Y N 0.622 120.877 120.300 -0.075 0.000 2.357 9 Y HA 0.198 4.747 4.550 -0.001 0.000 0.340 9 Y C -0.537 175.041 175.900 -0.537 0.000 1.260 9 Y CA -0.601 57.077 58.100 -0.704 0.000 1.425 9 Y CB 1.093 39.223 38.460 -0.549 0.000 1.326 9 Y HN 0.784 nan 8.280 nan 0.000 0.580 10 E N 5.121 124.478 120.200 -1.406 0.000 2.317 10 E HA 0.402 4.752 4.350 -0.001 0.000 0.270 10 E C -2.992 172.828 176.600 -1.300 0.000 0.899 10 E CA -2.671 53.034 56.400 -1.158 0.000 0.814 10 E CB 1.376 30.682 29.700 -0.656 0.000 1.296 10 E HN 0.345 nan 8.360 nan 0.000 0.404 11 P HA 0.103 nan 4.420 nan 0.000 0.261 11 P C -0.016 177.069 177.300 -0.358 0.000 1.203 11 P CA -0.044 62.665 63.100 -0.652 0.000 0.767 11 P CB 0.757 32.161 31.700 -0.493 0.000 0.785 12 R N 1.157 121.524 120.500 -0.221 0.000 2.125 12 R HA 0.155 4.494 4.340 -0.001 0.000 0.195 12 R C 0.833 177.101 176.300 -0.054 0.000 1.138 12 R CA 0.678 56.700 56.100 -0.130 0.000 1.123 12 R CB -1.177 29.058 30.300 -0.107 0.000 1.049 12 R HN 0.315 nan 8.270 nan 0.000 0.503 13 T N 0.243 114.789 114.554 -0.014 0.000 2.649 13 T HA 0.053 4.402 4.350 -0.001 0.000 0.337 13 T C 1.528 176.244 174.700 0.026 0.000 1.070 13 T CA 0.766 62.875 62.100 0.015 0.000 1.052 13 T CB 0.369 69.261 68.868 0.042 0.000 0.994 13 T HN 0.418 nan 8.240 nan 0.000 0.544 14 G N -0.469 108.350 108.800 0.031 0.000 2.417 14 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.212 14 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.212 14 G C 1.529 176.481 174.900 0.087 0.000 1.187 14 G CA 0.161 45.286 45.100 0.042 0.000 0.804 14 G HN 0.693 nan 8.290 nan 0.000 0.534 15 I N 0.726 121.339 120.570 0.072 0.000 2.163 15 I HA -0.172 3.998 4.170 -0.001 0.000 0.243 15 I C 2.679 178.930 176.117 0.224 0.000 1.085 15 I CA 1.272 62.642 61.300 0.117 0.000 1.347 15 I CB -0.388 37.651 38.000 0.064 0.000 1.044 15 I HN 0.220 nan 8.210 nan 0.000 0.408 16 E N 1.072 121.369 120.200 0.162 0.000 2.130 16 E HA -0.256 4.094 4.350 -0.001 0.000 0.196 16 E C 2.182 178.903 176.600 0.202 0.000 0.998 16 E CA 1.343 57.855 56.400 0.188 0.000 0.806 16 E CB -0.020 29.771 29.700 0.152 0.000 0.738 16 E HN 0.479 nan 8.360 nan 0.000 0.459 17 K N -0.395 120.095 120.400 0.150 0.000 2.103 17 K HA -0.151 4.169 4.320 -0.001 0.000 0.204 17 K C 1.817 178.532 176.600 0.191 0.000 1.052 17 K CA 0.992 57.352 56.287 0.121 0.000 0.945 17 K CB -0.214 32.325 32.500 0.064 0.000 0.722 17 K HN 0.212 nan 8.250 nan 0.000 0.443 18 W N 1.918 123.246 121.300 0.047 0.000 2.354 18 W HA -0.237 4.423 4.660 -0.001 0.000 0.315 18 W C 1.867 178.416 176.519 0.050 0.000 1.206 18 W CA 1.119 58.487 57.345 0.039 0.000 1.290 18 W CB -0.506 28.968 29.460 0.023 0.000 1.152 18 W HN -0.026 nan 8.180 nan 0.000 0.489 19 L N 0.487 121.883 121.223 0.289 0.000 2.012 19 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 19 L C 2.834 179.673 176.870 -0.051 0.000 1.073 19 L CA 2.688 57.563 54.840 0.060 0.000 0.748 19 L CB -1.681 40.523 42.059 0.241 0.000 0.891 19 L HN 0.265 nan 8.230 nan 0.000 0.431 20 H N -0.682 118.389 119.070 0.001 0.000 2.390 20 H HA -0.132 4.424 4.556 -0.001 0.000 0.298 20 H C 2.076 177.367 175.328 -0.062 0.000 1.106 20 H CA 1.732 57.786 56.048 0.009 0.000 1.297 20 H CB 0.084 29.913 29.762 0.112 0.000 1.375 20 H HN 0.597 nan 8.280 nan 0.000 0.509 21 S N -0.291 115.395 115.700 -0.023 0.000 2.561 21 S HA 0.029 4.498 4.470 -0.001 0.000 0.225 21 S C 1.944 176.413 174.600 -0.218 0.000 0.977 21 S CA 0.290 58.435 58.200 -0.092 0.000 0.926 21 S CB 0.121 63.284 63.200 -0.062 0.000 0.769 21 S HN 0.415 nan 8.310 nan 0.000 0.533 22 R N -0.622 119.696 120.500 -0.304 0.000 2.140 22 R HA 0.472 4.812 4.340 -0.001 0.000 0.200 22 R C -0.598 175.552 176.300 -0.250 0.000 1.069 22 R CA 0.148 56.054 56.100 -0.323 0.000 1.088 22 R CB 0.137 30.130 30.300 -0.512 0.000 1.012 22 R HN 0.339 nan 8.270 nan 0.000 0.500 23 L N 2.387 123.464 121.223 -0.243 0.000 2.573 23 L HA 0.349 4.689 4.340 -0.001 0.000 0.260 23 L C -2.579 174.168 176.870 -0.205 0.000 0.997 23 L CA -1.934 52.791 54.840 -0.191 0.000 0.890 23 L CB 1.993 43.966 42.059 -0.143 0.000 1.179 23 L HN -0.113 nan 8.230 nan 0.000 0.439 24 P HA -0.004 nan 4.420 nan 0.000 0.286 24 P C 1.325 178.520 177.300 -0.175 0.000 1.577 24 P CA 0.362 63.274 63.100 -0.312 0.000 0.805 24 P CB -0.065 31.392 31.700 -0.405 0.000 1.706 25 I N -0.172 120.313 120.570 -0.141 0.000 2.361 25 I HA -0.211 3.959 4.170 -0.001 0.000 0.251 25 I C 1.748 177.784 176.117 -0.135 0.000 1.133 25 I CA 1.136 62.364 61.300 -0.120 0.000 1.413 25 I CB 0.229 38.173 38.000 -0.092 0.000 1.073 25 I HN -0.137 nan 8.210 nan 0.000 0.424 26 V N 1.223 121.040 119.914 -0.162 0.000 2.427 26 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 26 V C 2.718 178.523 176.094 -0.482 0.000 1.051 26 V CA 1.615 63.753 62.300 -0.271 0.000 1.048 26 V CB -1.231 30.432 31.823 -0.267 0.000 0.666 26 V HN 0.551 nan 8.190 nan 0.000 0.456 27 A N -0.016 122.532 122.820 -0.453 0.000 1.930 27 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 27 A C 2.151 179.710 177.584 -0.042 0.000 1.175 27 A CA 1.842 53.679 52.037 -0.333 0.000 0.627 27 A CB -0.471 18.604 19.000 0.125 0.000 0.815 27 A HN 0.444 nan 8.150 nan 0.000 0.443 28 L N -0.108 121.073 121.223 -0.070 0.000 1.994 28 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 28 L C 2.724 179.569 176.870 -0.042 0.000 1.071 28 L CA 2.279 57.089 54.840 -0.051 0.000 0.745 28 L CB -0.792 41.202 42.059 -0.107 0.000 0.892 28 L HN 0.330 nan 8.230 nan 0.000 0.431 29 A N -1.433 121.346 122.820 -0.068 0.000 1.948 29 A HA -0.321 3.999 4.320 -0.001 0.000 0.220 29 A C 2.279 179.866 177.584 0.005 0.000 1.177 29 A CA 2.069 54.075 52.037 -0.053 0.000 0.636 29 A CB -1.275 17.684 19.000 -0.068 0.000 0.815 29 A HN 0.675 nan 8.150 nan 0.000 0.449 30 Y N 1.291 121.524 120.300 -0.112 0.000 2.049 30 Y HA -0.248 4.302 4.550 -0.001 0.000 0.277 30 Y C 1.872 177.827 175.900 0.092 0.000 1.143 30 Y CA 2.280 60.363 58.100 -0.028 0.000 1.115 30 Y CB -0.345 38.070 38.460 -0.075 0.000 0.975 30 Y HN 0.366 nan 8.280 nan 0.000 0.487 31 D N -0.933 119.577 120.400 0.183 0.000 2.311 31 D HA -0.144 4.495 4.640 -0.001 0.000 0.212 31 D C 1.957 178.330 176.300 0.122 0.000 0.972 31 D CA 1.669 55.784 54.000 0.192 0.000 0.887 31 D CB -0.298 40.673 40.800 0.285 0.000 0.915 31 D HN 0.432 nan 8.370 nan 0.000 0.497 32 T N 0.240 114.811 114.554 0.028 0.000 2.942 32 T HA 0.091 4.440 4.350 -0.001 0.000 0.265 32 T C 1.828 176.596 174.700 0.114 0.000 1.062 32 T CA 0.417 62.501 62.100 -0.026 0.000 1.139 32 T CB 0.359 69.134 68.868 -0.155 0.000 0.883 32 T HN 0.196 nan 8.240 nan 0.000 0.468 33 I N -0.063 120.563 120.570 0.093 0.000 3.974 33 I HA 0.259 4.429 4.170 -0.001 0.000 0.334 33 I C 0.662 176.948 176.117 0.282 0.000 1.437 33 I CA 0.081 61.527 61.300 0.244 0.000 1.113 33 I CB 0.363 38.498 38.000 0.226 0.000 1.063 33 I HN 0.102 nan 8.210 nan 0.000 0.400 34 M N 1.054 120.702 119.600 0.080 0.000 2.596 34 M HA 0.359 4.839 4.480 -0.001 0.000 0.364 34 M C 0.173 176.590 176.300 0.195 0.000 1.158 34 M CA -0.168 55.137 55.300 0.009 0.000 0.940 34 M CB 0.635 32.847 32.600 -0.646 0.000 1.388 34 M HN 0.107 nan 8.290 nan 0.000 0.522 35 I N 4.530 125.254 120.570 0.257 0.000 2.496 35 I HA 0.207 4.377 4.170 -0.001 0.000 0.285 35 I C -1.867 174.392 176.117 0.236 0.000 1.080 35 I CA -1.447 59.989 61.300 0.227 0.000 1.404 35 I CB 1.300 39.358 38.000 0.096 0.000 1.403 35 I HN -0.028 nan 8.210 nan 0.000 0.539 36 P HA 0.096 nan 4.420 nan 0.000 0.271 36 P C -1.065 176.309 177.300 0.123 0.000 1.233 36 P CA 0.018 63.217 63.100 0.165 0.000 0.764 36 P CB 0.461 32.238 31.700 0.129 0.000 0.825 37 T N 5.931 120.599 114.554 0.190 0.000 2.823 37 T HA 0.400 4.750 4.350 -0.001 0.000 0.279 37 T C -2.425 172.337 174.700 0.104 0.000 0.998 37 T CA -2.015 60.175 62.100 0.151 0.000 0.994 37 T CB 1.097 70.148 68.868 0.307 0.000 0.960 37 T HN 0.301 nan 8.240 nan 0.000 0.448 38 P HA 0.078 nan 4.420 nan 0.000 0.264 38 P C 0.379 177.614 177.300 -0.109 0.000 1.183 38 P CA -0.042 62.995 63.100 -0.106 0.000 0.763 38 P CB 0.929 32.527 31.700 -0.171 0.000 0.807 39 R N 2.686 123.018 120.500 -0.279 0.000 2.152 39 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 39 R C 1.612 177.584 176.300 -0.547 0.000 1.117 39 R CA 1.550 57.292 56.100 -0.596 0.000 0.981 39 R CB -0.537 29.038 30.300 -1.209 0.000 0.870 39 R HN 0.584 nan 8.270 nan 0.000 0.451 40 N N 1.225 119.724 118.700 -0.335 0.000 2.383 40 N HA -0.030 4.710 4.740 -0.001 0.000 0.192 40 N C 0.085 175.445 175.510 -0.250 0.000 1.141 40 N CA 0.149 53.102 53.050 -0.160 0.000 0.851 40 N CB -0.134 38.323 38.487 -0.049 0.000 0.976 40 N HN 0.135 nan 8.380 nan 0.000 0.465 41 L N 1.720 122.716 121.223 -0.379 0.000 2.514 41 L HA -0.051 4.288 4.340 -0.001 0.000 0.280 41 L C 0.662 177.336 176.870 -0.327 0.000 1.223 41 L CA -0.129 54.283 54.840 -0.714 0.000 0.864 41 L CB -0.144 41.403 42.059 -0.854 0.000 1.118 41 L HN 0.306 nan 8.230 nan 0.000 0.494 42 N N 0.439 118.966 118.700 -0.289 0.000 2.671 42 N HA 0.196 4.935 4.740 -0.001 0.000 0.303 42 N C -0.057 175.540 175.510 0.145 0.000 1.277 42 N CA -0.807 52.298 53.050 0.091 0.000 0.933 42 N CB 0.189 38.813 38.487 0.229 0.000 1.190 42 N HN 0.402 nan 8.380 nan 0.000 0.600 43 W N -0.775 120.628 121.300 0.171 0.000 2.747 43 W HA 0.100 4.760 4.660 -0.001 0.000 0.244 43 W C 1.217 177.855 176.519 0.197 0.000 1.270 43 W CA 0.284 57.706 57.345 0.128 0.000 1.333 43 W CB -0.380 29.134 29.460 0.090 0.000 1.139 43 W HN 0.383 nan 8.180 nan 0.000 0.662 44 M N -1.964 117.941 119.600 0.508 0.000 2.558 44 M HA -0.023 4.457 4.480 -0.001 0.000 0.255 44 M C 1.079 177.614 176.300 0.391 0.000 1.113 44 M CA 0.546 56.190 55.300 0.574 0.000 1.097 44 M CB -0.894 32.041 32.600 0.557 0.000 1.426 44 M HN 0.247 nan 8.290 nan 0.000 0.488 45 W N 0.835 122.111 121.300 -0.041 0.000 3.353 45 W HA 0.071 4.730 4.660 -0.001 0.000 0.304 45 W C 0.964 177.352 176.519 -0.218 0.000 1.273 45 W CA 0.128 57.400 57.345 -0.122 0.000 1.773 45 W CB 0.115 29.424 29.460 -0.251 0.000 1.095 45 W HN 0.184 nan 8.180 nan 0.000 0.676 46 I N -4.909 115.526 120.570 -0.224 0.000 3.875 46 I HA 0.141 4.311 4.170 -0.001 0.000 0.329 46 I C 1.108 176.919 176.117 -0.509 0.000 1.295 46 I CA -0.037 61.012 61.300 -0.417 0.000 1.129 46 I CB -1.029 36.603 38.000 -0.612 0.000 1.008 46 I HN -0.197 nan 8.210 nan 0.000 0.413 47 W N 1.419 122.726 121.300 0.011 0.000 2.658 47 W HA 0.342 5.002 4.660 -0.001 0.000 0.263 47 W C 2.409 178.811 176.519 -0.195 0.000 1.274 47 W CA 0.543 57.873 57.345 -0.024 0.000 1.343 47 W CB -0.337 29.163 29.460 0.067 0.000 1.106 47 W HN 0.242 nan 8.180 nan 0.000 0.615 48 G N 0.230 108.961 108.800 -0.115 0.000 2.433 48 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.216 48 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.216 48 G C 1.504 176.380 174.900 -0.040 0.000 1.186 48 G CA 1.354 46.326 45.100 -0.214 0.000 0.779 48 G HN 0.159 nan 8.290 nan 0.000 0.543 49 V N 0.385 120.297 119.914 -0.004 0.000 2.809 49 V HA -0.053 4.066 4.120 -0.001 0.000 0.256 49 V C 2.859 178.986 176.094 0.055 0.000 1.080 49 V CA 1.185 63.513 62.300 0.047 0.000 1.102 49 V CB 0.082 31.941 31.823 0.060 0.000 0.705 49 V HN 0.192 nan 8.190 nan 0.000 0.475 50 V N -0.294 119.640 119.914 0.032 0.000 2.667 50 V HA -0.151 3.968 4.120 -0.001 0.000 0.252 50 V C 2.204 178.360 176.094 0.105 0.000 1.065 50 V CA 1.706 64.061 62.300 0.092 0.000 1.083 50 V CB -0.285 31.637 31.823 0.166 0.000 0.692 50 V HN 0.463 nan 8.190 nan 0.000 0.468 51 L N -0.061 121.203 121.223 0.069 0.000 2.072 51 L HA -0.057 4.282 4.340 -0.001 0.000 0.205 51 L C 2.758 179.575 176.870 -0.088 0.000 1.079 51 L CA 1.332 56.188 54.840 0.026 0.000 0.752 51 L CB -0.769 41.352 42.059 0.104 0.000 0.906 51 L HN 0.334 nan 8.230 nan 0.000 0.436 52 A N 0.359 123.182 122.820 0.006 0.000 1.859 52 A HA -0.314 4.005 4.320 -0.001 0.000 0.217 52 A C 2.194 179.737 177.584 -0.068 0.000 1.198 52 A CA 2.006 54.045 52.037 0.004 0.000 0.629 52 A CB -1.053 17.993 19.000 0.077 0.000 0.830 52 A HN 0.404 nan 8.150 nan 0.000 0.446 53 F N 0.594 120.471 119.950 -0.122 0.000 2.065 53 F HA -0.288 4.239 4.527 -0.001 0.000 0.298 53 F C 2.516 178.158 175.800 -0.263 0.000 1.112 53 F CA 1.731 59.650 58.000 -0.137 0.000 1.212 53 F CB -0.921 38.020 39.000 -0.098 0.000 0.975 53 F HN 0.314 nan 8.300 nan 0.000 0.476 54 C N 0.234 119.231 119.300 -0.505 0.000 2.398 54 C HA -0.187 4.273 4.460 -0.001 0.000 0.276 54 C C 2.713 177.077 174.990 -1.043 0.000 1.222 54 C CA 1.171 59.659 59.018 -0.884 0.000 1.746 54 C CB -1.570 25.518 27.740 -1.087 0.000 2.039 54 C HN 0.682 nan 8.230 nan 0.000 0.470 55 L N 0.707 121.373 121.223 -0.929 0.000 2.017 55 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 55 L C 2.495 179.129 176.870 -0.393 0.000 1.073 55 L CA 1.931 56.433 54.840 -0.563 0.000 0.745 55 L CB -0.877 41.051 42.059 -0.219 0.000 0.894 55 L HN 0.203 nan 8.230 nan 0.000 0.432 56 V N -0.378 119.318 119.914 -0.364 0.000 2.295 56 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 56 V C 2.545 178.428 176.094 -0.352 0.000 1.049 56 V CA 1.820 63.949 62.300 -0.285 0.000 1.024 56 V CB -0.744 30.948 31.823 -0.218 0.000 0.648 56 V HN 0.567 nan 8.190 nan 0.000 0.447 57 L N 0.027 120.895 121.223 -0.590 0.000 2.012 57 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 57 L C 2.525 179.238 176.870 -0.262 0.000 1.073 57 L CA 2.020 56.555 54.840 -0.509 0.000 0.748 57 L CB -0.798 40.789 42.059 -0.787 0.000 0.891 57 L HN 0.269 nan 8.230 nan 0.000 0.431 58 Q N -0.141 119.482 119.800 -0.296 0.000 2.050 58 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 58 Q C 2.414 178.388 176.000 -0.042 0.000 0.980 58 Q CA 2.308 58.043 55.803 -0.113 0.000 0.840 58 Q CB -0.456 28.152 28.738 -0.216 0.000 0.898 58 Q HN 0.641 nan 8.270 nan 0.000 0.424 59 I N 0.544 121.007 120.570 -0.178 0.000 2.127 59 I HA -0.261 3.908 4.170 -0.001 0.000 0.241 59 I C 2.487 178.510 176.117 -0.157 0.000 1.075 59 I CA 1.514 62.683 61.300 -0.219 0.000 1.334 59 I CB -0.588 37.275 38.000 -0.229 0.000 1.040 59 I HN 0.110 nan 8.210 nan 0.000 0.405 60 V N -0.491 119.357 119.914 -0.109 0.000 2.358 60 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 60 V C 2.439 178.495 176.094 -0.063 0.000 1.047 60 V CA 2.319 64.581 62.300 -0.064 0.000 1.035 60 V CB -1.554 30.246 31.823 -0.038 0.000 0.658 60 V HN 0.593 nan 8.190 nan 0.000 0.452 61 T N -1.544 112.979 114.554 -0.051 0.000 2.915 61 T HA 0.083 4.433 4.350 -0.001 0.000 0.269 61 T C 1.993 176.562 174.700 -0.219 0.000 1.071 61 T CA 1.262 63.331 62.100 -0.051 0.000 1.132 61 T CB -0.886 68.025 68.868 0.070 0.000 0.878 61 T HN 0.695 nan 8.240 nan 0.000 0.479 62 G N 1.935 110.565 108.800 -0.283 0.000 2.414 62 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.215 62 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.215 62 G C 1.510 176.213 174.900 -0.328 0.000 1.188 62 G CA 0.631 45.443 45.100 -0.481 0.000 0.783 62 G HN 0.535 nan 8.290 nan 0.000 0.537 63 I N 0.481 120.895 120.570 -0.261 0.000 2.151 63 I HA -0.211 3.958 4.170 -0.001 0.000 0.243 63 I C 2.799 178.898 176.117 -0.030 0.000 1.080 63 I CA 0.711 61.929 61.300 -0.136 0.000 1.339 63 I CB -0.504 37.483 38.000 -0.021 0.000 1.039 63 I HN 0.025 nan 8.210 nan 0.000 0.409 64 V N 1.091 120.987 119.914 -0.029 0.000 2.255 64 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 64 V C 2.452 178.594 176.094 0.081 0.000 1.051 64 V CA 1.931 64.251 62.300 0.034 0.000 1.018 64 V CB -0.496 31.346 31.823 0.031 0.000 0.641 64 V HN 0.355 nan 8.190 nan 0.000 0.445 65 L N 0.028 121.252 121.223 0.002 0.000 2.079 65 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 65 L C 2.592 179.532 176.870 0.116 0.000 1.081 65 L CA 1.598 56.462 54.840 0.040 0.000 0.752 65 L CB -0.697 41.276 42.059 -0.143 0.000 0.896 65 L HN 0.371 nan 8.230 nan 0.000 0.433 66 A N -0.850 122.025 122.820 0.091 0.000 2.125 66 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 66 A C 2.231 179.929 177.584 0.190 0.000 1.156 66 A CA 1.372 53.565 52.037 0.260 0.000 0.671 66 A CB -0.504 18.712 19.000 0.361 0.000 0.794 66 A HN 0.410 nan 8.150 nan 0.000 0.459 67 M N -1.433 118.197 119.600 0.049 0.000 2.492 67 M HA -0.030 4.450 4.480 -0.001 0.000 0.262 67 M C 1.145 177.210 176.300 -0.392 0.000 1.090 67 M CA 0.936 56.130 55.300 -0.178 0.000 1.110 67 M CB -0.033 32.378 32.600 -0.316 0.000 1.407 67 M HN 0.504 nan 8.290 nan 0.000 0.470 68 H N -3.102 116.038 119.070 0.118 0.000 3.170 68 H HA 0.149 4.704 4.556 -0.001 0.000 0.264 68 H C -0.528 174.878 175.328 0.130 0.000 1.113 68 H CA -0.151 55.978 56.048 0.134 0.000 1.194 68 H CB 0.370 30.230 29.762 0.164 0.000 1.553 68 H HN 0.212 nan 8.280 nan 0.000 0.538 69 Y N 2.658 122.994 120.300 0.060 0.000 2.316 69 Y HA 0.248 4.797 4.550 -0.001 0.000 0.331 69 Y C -0.216 175.586 175.900 -0.163 0.000 1.083 69 Y CA -0.267 57.812 58.100 -0.034 0.000 1.206 69 Y CB 1.017 39.453 38.460 -0.040 0.000 1.195 69 Y HN -0.202 nan 8.280 nan 0.000 0.497 70 T N 9.330 123.338 114.554 -0.910 0.000 2.801 70 T HA 0.244 4.593 4.350 -0.001 0.000 0.306 70 T C -2.704 171.316 174.700 -1.134 0.000 1.020 70 T CA -1.467 60.161 62.100 -0.786 0.000 0.948 70 T CB 0.878 69.478 68.868 -0.446 0.000 0.962 70 T HN 0.463 nan 8.240 nan 0.000 0.465 71 P HA 0.117 nan 4.420 nan 0.000 0.237 71 P C -0.725 176.389 177.300 -0.311 0.000 1.788 71 P CA -0.005 62.753 63.100 -0.570 0.000 1.061 71 P CB -0.151 31.298 31.700 -0.419 0.000 1.967 72 H N 2.511 121.307 119.070 -0.455 0.000 3.083 72 H HA 0.052 4.608 4.556 -0.001 0.000 0.339 72 H C 1.090 176.152 175.328 -0.442 0.000 1.020 72 H CA -0.390 55.425 56.048 -0.388 0.000 1.360 72 H CB 2.483 32.071 29.762 -0.290 0.000 1.811 72 H HN -0.042 nan 8.280 nan 0.000 0.493 73 V N 1.838 121.295 119.914 -0.762 0.000 2.495 73 V HA -0.244 3.875 4.120 -0.001 0.000 0.260 73 V C 1.193 177.182 176.094 -0.175 0.000 1.097 73 V CA 2.501 64.357 62.300 -0.739 0.000 1.105 73 V CB -0.068 31.366 31.823 -0.648 0.000 0.678 73 V HN 0.617 nan 8.190 nan 0.000 0.469 74 D N -0.261 120.212 120.400 0.121 0.000 2.323 74 D HA 0.158 4.797 4.640 -0.001 0.000 0.209 74 D C 1.794 178.129 176.300 0.058 0.000 0.973 74 D CA 1.400 55.481 54.000 0.135 0.000 0.874 74 D CB 0.470 41.369 40.800 0.166 0.000 0.930 74 D HN 0.564 nan 8.370 nan 0.000 0.521 75 L N -0.596 120.638 121.223 0.019 0.000 2.948 75 L HA 0.303 4.643 4.340 -0.001 0.000 0.259 75 L C 2.214 179.038 176.870 -0.077 0.000 1.136 75 L CA 0.090 54.897 54.840 -0.055 0.000 0.959 75 L CB 0.120 42.087 42.059 -0.154 0.000 1.370 75 L HN -0.197 nan 8.230 nan 0.000 0.552 76 A N 0.938 123.685 122.820 -0.123 0.000 1.873 76 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 76 A C 2.106 179.792 177.584 0.170 0.000 1.193 76 A CA 2.045 54.009 52.037 -0.120 0.000 0.629 76 A CB -0.814 18.145 19.000 -0.068 0.000 0.826 76 A HN 0.386 nan 8.150 nan 0.000 0.447 77 F N 0.555 120.584 119.950 0.131 0.000 2.113 77 F HA 0.001 4.528 4.527 -0.001 0.000 0.297 77 F C 2.586 178.464 175.800 0.130 0.000 1.103 77 F CA 1.260 59.364 58.000 0.174 0.000 1.248 77 F CB -0.361 38.754 39.000 0.192 0.000 0.999 77 F HN 0.255 nan 8.300 nan 0.000 0.475 78 A N -0.366 122.637 122.820 0.304 0.000 1.902 78 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 78 A C 2.350 179.989 177.584 0.091 0.000 1.181 78 A CA 2.116 54.263 52.037 0.183 0.000 0.623 78 A CB -1.487 17.590 19.000 0.128 0.000 0.818 78 A HN 0.512 nan 8.150 nan 0.000 0.443 79 S N -0.447 115.282 115.700 0.047 0.000 2.399 79 S HA -0.107 4.363 4.470 -0.001 0.000 0.231 79 S C 1.689 176.375 174.600 0.145 0.000 1.022 79 S CA 1.625 59.849 58.200 0.041 0.000 0.983 79 S CB -0.603 62.532 63.200 -0.109 0.000 0.803 79 S HN 0.284 nan 8.310 nan 0.000 0.480 80 V N 1.464 121.437 119.914 0.098 0.000 2.788 80 V HA 0.043 4.162 4.120 -0.001 0.000 0.251 80 V C 2.852 178.935 176.094 -0.019 0.000 1.068 80 V CA 1.352 63.687 62.300 0.057 0.000 1.090 80 V CB -0.571 31.245 31.823 -0.012 0.000 0.710 80 V HN 0.409 nan 8.190 nan 0.000 0.467 81 E N 0.107 120.279 120.200 -0.047 0.000 2.107 81 E HA -0.206 4.144 4.350 -0.001 0.000 0.191 81 E C 2.114 178.737 176.600 0.038 0.000 0.982 81 E CA 1.415 57.801 56.400 -0.024 0.000 0.809 81 E CB -0.316 29.384 29.700 -0.000 0.000 0.756 81 E HN 0.813 nan 8.360 nan 0.000 0.459 82 H N 1.032 120.097 119.070 -0.009 0.000 2.353 82 H HA -0.081 4.475 4.556 -0.001 0.000 0.298 82 H C 2.049 177.367 175.328 -0.017 0.000 1.103 82 H CA 1.961 58.008 56.048 -0.001 0.000 1.293 82 H CB -0.290 29.479 29.762 0.011 0.000 1.372 82 H HN 0.080 nan 8.280 nan 0.000 0.501 83 I N -0.204 120.326 120.570 -0.067 0.000 2.286 83 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 83 I C 1.907 177.937 176.117 -0.145 0.000 1.115 83 I CA 0.940 62.144 61.300 -0.160 0.000 1.392 83 I CB -0.236 37.745 38.000 -0.032 0.000 1.065 83 I HN 0.387 nan 8.210 nan 0.000 0.418 84 M N 0.063 119.614 119.600 -0.081 0.000 2.200 84 M HA -0.088 4.391 4.480 -0.001 0.000 0.265 84 M C 2.193 178.494 176.300 0.002 0.000 1.066 84 M CA 1.661 56.940 55.300 -0.034 0.000 1.127 84 M CB -0.863 31.707 32.600 -0.050 0.000 1.379 84 M HN 0.214 nan 8.290 nan 0.000 0.420 85 R N -0.712 119.759 120.500 -0.048 0.000 2.237 85 R HA 0.099 4.438 4.340 -0.001 0.000 0.195 85 R C 1.431 177.685 176.300 -0.076 0.000 0.956 85 R CA 0.461 56.535 56.100 -0.044 0.000 1.029 85 R CB 0.213 30.500 30.300 -0.022 0.000 0.972 85 R HN 0.374 nan 8.270 nan 0.000 0.493 86 N N -0.101 118.485 118.700 -0.189 0.000 2.612 86 N HA 0.048 4.787 4.740 -0.001 0.000 0.224 86 N C 0.175 175.540 175.510 -0.241 0.000 1.051 86 N CA 0.189 53.105 53.050 -0.222 0.000 0.889 86 N CB 0.330 38.625 38.487 -0.321 0.000 1.449 86 N HN -0.166 nan 8.380 nan 0.000 0.442 87 V N 4.297 123.978 119.914 -0.388 0.000 2.557 87 V HA -0.035 4.084 4.120 -0.001 0.000 0.301 87 V C 0.188 176.170 176.094 -0.187 0.000 1.026 87 V CA -0.367 61.714 62.300 -0.364 0.000 1.137 87 V CB -0.268 31.182 31.823 -0.622 0.000 0.917 87 V HN 0.235 nan 8.190 nan 0.000 0.484 88 N N 4.602 123.231 118.700 -0.119 0.000 2.374 88 N HA 0.042 4.781 4.740 -0.001 0.000 0.269 88 N C 1.303 176.770 175.510 -0.072 0.000 1.310 88 N CA 1.156 54.182 53.050 -0.040 0.000 0.877 88 N CB 0.593 39.071 38.487 -0.016 0.000 1.096 88 N HN 1.139 nan 8.380 nan 0.000 0.484 89 G N 1.495 110.272 108.800 -0.038 0.000 2.168 89 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.257 89 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.257 89 G C 1.204 175.848 174.900 -0.428 0.000 0.997 89 G CA 0.709 45.639 45.100 -0.283 0.000 0.708 89 G HN 0.739 nan 8.290 nan 0.000 0.520 90 G N 0.959 109.606 108.800 -0.254 0.000 2.433 90 G HA2 0.072 4.032 3.960 -0.001 0.000 0.216 90 G HA3 0.072 4.032 3.960 -0.001 0.000 0.216 90 G C 1.567 176.301 174.900 -0.276 0.000 1.186 90 G CA 1.433 46.388 45.100 -0.242 0.000 0.779 90 G HN 1.162 nan 8.290 nan 0.000 0.543 91 F N 0.734 120.598 119.950 -0.143 0.000 2.115 91 F HA -0.159 4.368 4.527 -0.001 0.000 0.300 91 F C 2.389 178.099 175.800 -0.149 0.000 1.092 91 F CA 1.938 59.815 58.000 -0.206 0.000 1.245 91 F CB -0.635 38.291 39.000 -0.124 0.000 0.995 91 F HN 0.192 nan 8.300 nan 0.000 0.481 92 M N 0.570 119.420 119.600 -1.251 0.000 2.200 92 M HA 0.038 4.518 4.480 -0.001 0.000 0.265 92 M C 1.919 178.070 176.300 -0.248 0.000 1.066 92 M CA 1.522 56.435 55.300 -0.644 0.000 1.127 92 M CB -0.383 31.733 32.600 -0.807 0.000 1.379 92 M HN 0.313 nan 8.290 nan 0.000 0.420 93 L N -0.737 120.326 121.223 -0.267 0.000 2.093 93 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 93 L C 2.779 179.633 176.870 -0.027 0.000 1.085 93 L CA 0.937 55.714 54.840 -0.104 0.000 0.755 93 L CB -0.768 41.225 42.059 -0.109 0.000 0.904 93 L HN 0.331 nan 8.230 nan 0.000 0.435 94 R N 0.039 120.493 120.500 -0.076 0.000 2.082 94 R HA -0.206 4.133 4.340 -0.001 0.000 0.228 94 R C 2.366 178.732 176.300 0.111 0.000 1.140 94 R CA 1.898 57.986 56.100 -0.020 0.000 0.920 94 R CB -0.828 29.390 30.300 -0.137 0.000 0.828 94 R HN 0.182 nan 8.270 nan 0.000 0.430 95 Y N 1.233 121.583 120.300 0.083 0.000 2.283 95 Y HA -0.207 4.343 4.550 -0.001 0.000 0.285 95 Y C 2.370 178.313 175.900 0.072 0.000 1.176 95 Y CA 1.014 59.169 58.100 0.092 0.000 1.229 95 Y CB -0.612 37.894 38.460 0.076 0.000 0.975 95 Y HN 0.105 nan 8.280 nan 0.000 0.537 96 L N -1.898 119.447 121.223 0.204 0.000 2.131 96 L HA -0.183 4.156 4.340 -0.001 0.000 0.206 96 L C 2.363 179.393 176.870 0.266 0.000 1.087 96 L CA 1.145 56.092 54.840 0.178 0.000 0.767 96 L CB -0.342 41.784 42.059 0.112 0.000 0.917 96 L HN 0.184 nan 8.230 nan 0.000 0.441 97 H N -0.373 118.771 119.070 0.124 0.000 2.363 97 H HA -0.044 4.512 4.556 -0.001 0.000 0.301 97 H C 2.043 177.468 175.328 0.161 0.000 1.074 97 H CA 1.271 57.379 56.048 0.100 0.000 1.354 97 H CB 0.091 29.888 29.762 0.058 0.000 1.397 97 H HN 0.290 nan 8.280 nan 0.000 0.516 98 A N 0.885 123.854 122.820 0.248 0.000 1.827 98 A HA -0.237 4.083 4.320 -0.001 0.000 0.215 98 A C 2.234 179.977 177.584 0.264 0.000 1.212 98 A CA 1.790 53.974 52.037 0.245 0.000 0.624 98 A CB -0.883 18.302 19.000 0.309 0.000 0.853 98 A HN 0.621 nan 8.150 nan 0.000 0.450 99 N N 0.022 118.912 118.700 0.316 0.000 2.334 99 N HA -0.147 4.593 4.740 -0.001 0.000 0.187 99 N C 1.683 177.467 175.510 0.457 0.000 1.016 99 N CA 1.193 54.480 53.050 0.394 0.000 0.879 99 N CB -0.379 38.310 38.487 0.336 0.000 0.965 99 N HN 0.574 nan 8.380 nan 0.000 0.438 100 G N 0.896 109.895 108.800 0.331 0.000 2.408 100 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.217 100 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.217 100 G C 1.715 176.625 174.900 0.016 0.000 1.150 100 G CA 0.896 46.043 45.100 0.080 0.000 0.776 100 G HN 0.390 nan 8.290 nan 0.000 0.542 101 A N 1.013 123.877 122.820 0.073 0.000 1.858 101 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 101 A C 2.708 180.409 177.584 0.196 0.000 1.190 101 A CA 2.307 54.390 52.037 0.077 0.000 0.617 101 A CB -0.776 18.278 19.000 0.091 0.000 0.827 101 A HN 0.303 nan 8.150 nan 0.000 0.443 102 S N -0.516 115.435 115.700 0.419 0.000 2.383 102 S HA -0.163 4.307 4.470 -0.001 0.000 0.229 102 S C 1.845 176.805 174.600 0.599 0.000 1.030 102 S CA 1.520 60.166 58.200 0.742 0.000 1.002 102 S CB -0.435 63.269 63.200 0.840 0.000 0.829 102 S HN 0.518 nan 8.310 nan 0.000 0.467 103 L N 0.693 122.111 121.223 0.325 0.000 2.141 103 L HA 0.071 4.411 4.340 -0.001 0.000 0.209 103 L C 1.853 178.825 176.870 0.170 0.000 1.094 103 L CA 1.554 56.499 54.840 0.175 0.000 0.763 103 L CB -0.781 41.174 42.059 -0.172 0.000 0.908 103 L HN 0.175 nan 8.230 nan 0.000 0.437 104 F N -0.371 119.506 119.950 -0.121 0.000 2.134 104 F HA -0.205 4.322 4.527 -0.001 0.000 0.299 104 F C 2.119 177.666 175.800 -0.421 0.000 1.097 104 F CA 1.437 59.243 58.000 -0.323 0.000 1.264 104 F CB -0.784 37.895 39.000 -0.534 0.000 1.001 104 F HN 0.118 nan 8.300 nan 0.000 0.479 105 F N -0.100 119.834 119.950 -0.027 0.000 2.187 105 F HA -0.078 4.448 4.527 -0.001 0.000 0.295 105 F C 2.448 178.244 175.800 -0.007 0.000 1.091 105 F CA 0.967 58.805 58.000 -0.270 0.000 1.308 105 F CB -0.949 37.730 39.000 -0.535 0.000 1.030 105 F HN -0.164 nan 8.300 nan 0.000 0.487 106 I N -0.027 120.887 120.570 0.574 0.000 2.248 106 I HA -0.378 3.792 4.170 -0.001 0.000 0.248 106 I C 2.560 178.777 176.117 0.166 0.000 1.107 106 I CA 1.375 62.976 61.300 0.501 0.000 1.373 106 I CB -0.742 37.474 38.000 0.360 0.000 1.055 106 I HN 0.127 nan 8.210 nan 0.000 0.418 107 A N 0.520 123.413 122.820 0.123 0.000 1.897 107 A HA -0.112 4.208 4.320 -0.001 0.000 0.215 107 A C 2.391 180.013 177.584 0.064 0.000 1.181 107 A CA 1.707 53.790 52.037 0.077 0.000 0.620 107 A CB -0.871 18.298 19.000 0.282 0.000 0.821 107 A HN 0.314 nan 8.150 nan 0.000 0.443 108 V N -2.973 116.938 119.914 -0.004 0.000 2.295 108 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 108 V C 2.339 178.473 176.094 0.066 0.000 1.049 108 V CA 1.732 64.024 62.300 -0.013 0.000 1.024 108 V CB -1.705 29.981 31.823 -0.228 0.000 0.648 108 V HN 0.486 nan 8.190 nan 0.000 0.447 109 Y N 0.954 121.347 120.300 0.154 0.000 2.128 109 Y HA -0.104 4.445 4.550 -0.001 0.000 0.284 109 Y C 2.441 178.433 175.900 0.154 0.000 1.154 109 Y CA 1.214 59.404 58.100 0.148 0.000 1.149 109 Y CB -1.102 37.514 38.460 0.260 0.000 0.976 109 Y HN 0.178 nan 8.280 nan 0.000 0.505 110 L N -1.403 119.892 121.223 0.121 0.000 2.056 110 L HA -0.232 4.108 4.340 -0.001 0.000 0.207 110 L C 2.474 179.357 176.870 0.022 0.000 1.078 110 L CA 1.650 56.415 54.840 -0.125 0.000 0.749 110 L CB -0.642 40.890 42.059 -0.878 0.000 0.901 110 L HN 0.234 nan 8.230 nan 0.000 0.433 111 H N 0.423 119.474 119.070 -0.032 0.000 2.321 111 H HA -0.153 4.403 4.556 -0.001 0.000 0.300 111 H C 2.112 177.511 175.328 0.117 0.000 1.087 111 H CA 1.890 58.002 56.048 0.107 0.000 1.319 111 H CB -0.084 29.757 29.762 0.132 0.000 1.379 111 H HN 0.179 nan 8.280 nan 0.000 0.501 112 I N -0.841 119.770 120.570 0.069 0.000 2.113 112 I HA -0.266 3.903 4.170 -0.001 0.000 0.238 112 I C 1.890 178.069 176.117 0.103 0.000 1.070 112 I CA 1.298 62.602 61.300 0.007 0.000 1.332 112 I CB -0.418 37.527 38.000 -0.091 0.000 1.044 112 I HN 0.150 nan 8.210 nan 0.000 0.402 113 F N 0.766 120.802 119.950 0.143 0.000 2.250 113 F HA -0.199 4.328 4.527 -0.001 0.000 0.301 113 F C 2.600 178.580 175.800 0.301 0.000 1.077 113 F CA 1.202 59.333 58.000 0.219 0.000 1.348 113 F CB -0.420 38.642 39.000 0.103 0.000 1.040 113 F HN 0.002 nan 8.300 nan 0.000 0.509 114 R N 1.010 121.719 120.500 0.348 0.000 2.066 114 R HA -0.094 4.246 4.340 -0.001 0.000 0.232 114 R C 2.400 178.856 176.300 0.261 0.000 1.131 114 R CA 1.638 57.915 56.100 0.294 0.000 0.955 114 R CB -1.367 29.013 30.300 0.133 0.000 0.851 114 R HN 0.353 nan 8.270 nan 0.000 0.432 115 G N 1.584 110.487 108.800 0.172 0.000 2.446 115 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.217 115 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.217 115 G C 1.789 176.822 174.900 0.222 0.000 1.168 115 G CA 0.822 46.037 45.100 0.191 0.000 0.771 115 G HN 0.310 nan 8.290 nan 0.000 0.551 116 L N -1.117 120.314 121.223 0.347 0.000 2.042 116 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 116 L C 2.614 179.722 176.870 0.396 0.000 1.076 116 L CA 1.486 56.613 54.840 0.479 0.000 0.749 116 L CB -0.502 41.820 42.059 0.438 0.000 0.893 116 L HN 0.311 nan 8.230 nan 0.000 0.432 117 Y N -0.542 119.745 120.300 -0.021 0.000 2.220 117 Y HA -0.223 4.326 4.550 -0.001 0.000 0.291 117 Y C 1.964 177.563 175.900 -0.501 0.000 1.129 117 Y CA 1.392 59.137 58.100 -0.593 0.000 1.161 117 Y CB -0.091 37.599 38.460 -1.284 0.000 0.997 117 Y HN 0.046 nan 8.280 nan 0.000 0.522 118 Y N -0.031 120.254 120.300 -0.025 0.000 2.466 118 Y HA 0.272 4.822 4.550 -0.001 0.000 0.272 118 Y C 1.722 177.444 175.900 -0.297 0.000 1.169 118 Y CA 0.240 58.288 58.100 -0.086 0.000 1.285 118 Y CB -0.015 38.529 38.460 0.140 0.000 1.078 118 Y HN 0.199 nan 8.280 nan 0.000 0.523 119 G N -0.076 108.460 108.800 -0.440 0.000 2.273 119 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.280 119 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.280 119 G C 1.027 175.503 174.900 -0.707 0.000 1.047 119 G CA 0.661 45.212 45.100 -0.914 0.000 0.869 119 G HN 0.369 nan 8.290 nan 0.000 0.502 120 S N -0.838 114.605 115.700 -0.429 0.000 2.555 120 S HA 0.014 4.484 4.470 -0.001 0.000 0.230 120 S C 1.709 176.219 174.600 -0.151 0.000 0.978 120 S CA 1.415 59.506 58.200 -0.181 0.000 0.934 120 S CB -0.253 62.911 63.200 -0.061 0.000 0.766 120 S HN 0.971 nan 8.310 nan 0.000 0.533 121 Y N 0.604 120.778 120.300 -0.210 0.000 2.462 121 Y HA 0.493 5.043 4.550 -0.001 0.000 0.261 121 Y C 0.209 175.889 175.900 -0.367 0.000 1.146 121 Y CA -1.042 56.838 58.100 -0.367 0.000 1.283 121 Y CB -0.514 37.219 38.460 -1.211 0.000 1.090 121 Y HN -0.102 nan 8.280 nan 0.000 0.526 122 K N 2.015 122.157 120.400 -0.431 0.000 2.249 122 K HA 0.499 4.819 4.320 -0.001 0.000 0.280 122 K C 0.443 176.930 176.600 -0.187 0.000 1.033 122 K CA -0.048 56.068 56.287 -0.284 0.000 0.946 122 K CB 0.854 33.124 32.500 -0.383 0.000 1.005 122 K HN 0.346 nan 8.250 nan 0.000 0.469 123 A N 4.624 127.344 122.820 -0.166 0.000 2.622 123 A HA -0.069 4.251 4.320 -0.001 0.000 0.236 123 A C -1.397 176.141 177.584 -0.077 0.000 1.003 123 A CA -0.270 51.703 52.037 -0.107 0.000 0.781 123 A CB -0.303 18.642 19.000 -0.091 0.000 0.902 123 A HN 0.655 nan 8.150 nan 0.000 0.496 124 P HA 0.119 nan 4.420 nan 0.000 0.254 124 P C 0.186 177.484 177.300 -0.003 0.000 1.494 124 P CA 0.090 63.177 63.100 -0.022 0.000 0.961 124 P CB 0.153 31.848 31.700 -0.009 0.000 1.493 125 R N 0.380 120.876 120.500 -0.006 0.000 2.555 125 R HA 0.116 4.456 4.340 -0.001 0.000 0.272 125 R C 0.854 177.213 176.300 0.098 0.000 1.089 125 R CA 0.042 56.172 56.100 0.051 0.000 1.126 125 R CB -0.078 30.255 30.300 0.055 0.000 1.250 125 R HN 0.178 nan 8.270 nan 0.000 0.551 126 E N 0.337 120.564 120.200 0.045 0.000 2.106 126 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 126 E C 1.770 178.507 176.600 0.228 0.000 0.984 126 E CA 0.997 57.438 56.400 0.068 0.000 0.806 126 E CB 0.021 29.682 29.700 -0.065 0.000 0.750 126 E HN 0.046 nan 8.360 nan 0.000 0.458 127 V N 0.928 120.946 119.914 0.173 0.000 2.358 127 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 127 V C 2.113 178.320 176.094 0.189 0.000 1.047 127 V CA 2.116 64.512 62.300 0.160 0.000 1.035 127 V CB -0.868 30.992 31.823 0.063 0.000 0.658 127 V HN 0.340 nan 8.190 nan 0.000 0.452 128 T N -0.662 114.013 114.554 0.203 0.000 2.652 128 T HA -0.281 4.068 4.350 -0.001 0.000 0.267 128 T C 1.563 176.481 174.700 0.362 0.000 1.039 128 T CA 1.982 64.249 62.100 0.278 0.000 1.153 128 T CB -0.405 68.617 68.868 0.256 0.000 0.863 128 T HN 0.691 nan 8.240 nan 0.000 0.428 129 W N 1.740 123.141 121.300 0.168 0.000 2.333 129 W HA -0.146 4.513 4.660 -0.001 0.000 0.316 129 W C 1.961 178.558 176.519 0.131 0.000 1.215 129 W CA 1.144 58.575 57.345 0.143 0.000 1.278 129 W CB -0.598 28.926 29.460 0.106 0.000 1.154 129 W HN 0.250 nan 8.180 nan 0.000 0.486 130 I N 0.458 121.173 120.570 0.242 0.000 2.127 130 I HA -0.359 3.810 4.170 -0.001 0.000 0.241 130 I C 2.384 178.509 176.117 0.013 0.000 1.075 130 I CA 1.600 62.984 61.300 0.141 0.000 1.334 130 I CB -1.195 36.952 38.000 0.245 0.000 1.040 130 I HN -0.246 nan 8.210 nan 0.000 0.405 131 V N 1.236 121.186 119.914 0.061 0.000 2.324 131 V HA -0.279 3.840 4.120 -0.001 0.000 0.250 131 V C 2.610 178.644 176.094 -0.101 0.000 1.060 131 V CA 2.255 64.571 62.300 0.027 0.000 1.042 131 V CB -1.603 30.290 31.823 0.116 0.000 0.650 131 V HN 0.621 nan 8.190 nan 0.000 0.450 132 G N -0.538 108.154 108.800 -0.180 0.000 2.476 132 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 132 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 132 G C 1.521 176.222 174.900 -0.331 0.000 1.164 132 G CA 1.229 46.091 45.100 -0.397 0.000 0.768 132 G HN 0.320 nan 8.290 nan 0.000 0.560 133 M N 0.241 119.621 119.600 -0.367 0.000 2.149 133 M HA 0.035 4.514 4.480 -0.001 0.000 0.261 133 M C 2.649 178.914 176.300 -0.057 0.000 1.064 133 M CA 0.937 56.108 55.300 -0.215 0.000 1.102 133 M CB -1.119 31.372 32.600 -0.181 0.000 1.369 133 M HN 0.216 nan 8.290 nan 0.000 0.408 134 L N -0.724 120.460 121.223 -0.066 0.000 2.046 134 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 134 L C 2.380 179.220 176.870 -0.049 0.000 1.077 134 L CA 0.986 55.806 54.840 -0.033 0.000 0.747 134 L CB -0.537 41.511 42.059 -0.018 0.000 0.896 134 L HN 0.208 nan 8.230 nan 0.000 0.432 135 I N -1.411 119.107 120.570 -0.085 0.000 2.163 135 I HA -0.365 3.804 4.170 -0.001 0.000 0.243 135 I C 2.555 178.616 176.117 -0.092 0.000 1.085 135 I CA 1.433 62.671 61.300 -0.105 0.000 1.347 135 I CB -0.417 37.487 38.000 -0.160 0.000 1.044 135 I HN 0.186 nan 8.210 nan 0.000 0.408 136 Y N 1.516 121.698 120.300 -0.197 0.000 2.114 136 Y HA -0.274 4.276 4.550 -0.001 0.000 0.282 136 Y C 2.302 178.150 175.900 -0.086 0.000 1.165 136 Y CA 1.593 59.597 58.100 -0.161 0.000 1.148 136 Y CB -0.500 37.879 38.460 -0.136 0.000 0.972 136 Y HN 0.037 nan 8.280 nan 0.000 0.504 137 L N -0.785 120.340 121.223 -0.165 0.000 2.017 137 L HA -0.244 4.096 4.340 -0.001 0.000 0.208 137 L C 2.770 179.558 176.870 -0.137 0.000 1.073 137 L CA 1.264 55.990 54.840 -0.190 0.000 0.745 137 L CB -1.040 40.987 42.059 -0.053 0.000 0.894 137 L HN 0.309 nan 8.230 nan 0.000 0.432 138 A N -0.202 122.562 122.820 -0.094 0.000 1.892 138 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 138 A C 2.292 179.815 177.584 -0.101 0.000 1.188 138 A CA 2.088 54.083 52.037 -0.070 0.000 0.631 138 A CB -0.566 18.397 19.000 -0.062 0.000 0.822 138 A HN 0.349 nan 8.150 nan 0.000 0.447 139 M N -1.281 118.203 119.600 -0.193 0.000 2.073 139 M HA -0.237 4.243 4.480 -0.001 0.000 0.258 139 M C 2.510 178.774 176.300 -0.060 0.000 1.070 139 M CA 2.179 57.305 55.300 -0.290 0.000 1.103 139 M CB -0.515 31.741 32.600 -0.573 0.000 1.321 139 M HN 0.447 nan 8.290 nan 0.000 0.405 140 M N -0.401 119.183 119.600 -0.027 0.000 2.080 140 M HA -0.198 4.281 4.480 -0.001 0.000 0.260 140 M C 2.466 178.911 176.300 0.242 0.000 1.068 140 M CA 1.852 57.257 55.300 0.174 0.000 1.109 140 M CB -0.687 31.857 32.600 -0.094 0.000 1.342 140 M HN 0.413 nan 8.290 nan 0.000 0.405 141 A N 0.009 122.896 122.820 0.112 0.000 1.877 141 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 141 A C 2.194 179.883 177.584 0.175 0.000 1.186 141 A CA 2.312 54.455 52.037 0.177 0.000 0.620 141 A CB -1.189 17.869 19.000 0.097 0.000 0.822 141 A HN 0.468 nan 8.150 nan 0.000 0.443 142 T N 0.441 115.060 114.554 0.108 0.000 2.622 142 T HA -0.090 4.260 4.350 -0.001 0.000 0.266 142 T C 2.263 177.078 174.700 0.192 0.000 1.047 142 T CA 1.979 64.164 62.100 0.142 0.000 1.159 142 T CB -0.633 68.266 68.868 0.051 0.000 0.863 142 T HN 0.630 nan 8.240 nan 0.000 0.422 143 A N 1.404 124.330 122.820 0.176 0.000 1.908 143 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 143 A C 2.031 179.734 177.584 0.199 0.000 1.181 143 A CA 1.835 53.968 52.037 0.161 0.000 0.627 143 A CB -1.030 18.040 19.000 0.116 0.000 0.818 143 A HN 0.505 nan 8.150 nan 0.000 0.445 144 F N 0.457 120.532 119.950 0.209 0.000 2.046 144 F HA -0.207 4.319 4.527 -0.001 0.000 0.297 144 F C 2.222 178.045 175.800 0.038 0.000 1.123 144 F CA 2.164 60.296 58.000 0.220 0.000 1.199 144 F CB -0.682 38.408 39.000 0.151 0.000 0.972 144 F HN 0.189 nan 8.300 nan 0.000 0.474 145 M N 0.373 119.486 119.600 -0.812 0.000 2.159 145 M HA -0.104 4.375 4.480 -0.001 0.000 0.263 145 M C 2.495 178.424 176.300 -0.618 0.000 1.063 145 M CA 1.699 56.404 55.300 -0.993 0.000 1.110 145 M CB -1.321 30.868 32.600 -0.686 0.000 1.374 145 M HN 0.394 nan 8.290 nan 0.000 0.411 146 G N -0.655 107.682 108.800 -0.773 0.000 2.459 146 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 146 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 146 G C 1.303 176.035 174.900 -0.280 0.000 1.183 146 G CA 0.760 45.257 45.100 -1.005 0.000 0.776 146 G HN 0.428 nan 8.290 nan 0.000 0.552 147 Y N 1.238 121.415 120.300 -0.205 0.000 2.384 147 Y HA -0.114 4.436 4.550 -0.001 0.000 0.289 147 Y C 2.757 178.657 175.900 -0.001 0.000 1.152 147 Y CA 1.074 59.146 58.100 -0.046 0.000 1.258 147 Y CB -0.008 38.475 38.460 0.038 0.000 0.979 147 Y HN 0.064 nan 8.280 nan 0.000 0.549 148 V N -0.280 119.613 119.914 -0.035 0.000 2.488 148 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 148 V C 2.407 178.621 176.094 0.201 0.000 1.046 148 V CA 1.480 63.829 62.300 0.081 0.000 1.053 148 V CB -0.728 31.225 31.823 0.216 0.000 0.679 148 V HN 0.381 nan 8.190 nan 0.000 0.458 149 L N 0.085 121.374 121.223 0.111 0.000 2.064 149 L HA -0.214 4.125 4.340 -0.001 0.000 0.216 149 L C 0.091 177.128 176.870 0.278 0.000 1.077 149 L CA 2.039 56.976 54.840 0.161 0.000 0.766 149 L CB -2.213 39.742 42.059 -0.173 0.000 0.890 149 L HN 0.364 nan 8.230 nan 0.000 0.435 150 P HA -0.239 nan 4.420 nan 0.000 0.219 150 P C 0.334 177.921 177.300 0.478 0.000 1.146 150 P CA 1.147 64.367 63.100 0.201 0.000 0.808 150 P CB -0.054 31.644 31.700 -0.003 0.000 0.779 151 W N -1.096 120.292 121.300 0.148 0.000 4.543 151 W HA -0.148 4.511 4.660 -0.001 0.000 0.375 151 W C 0.084 176.714 176.519 0.184 0.000 1.434 151 W CA 0.025 57.468 57.345 0.163 0.000 0.818 151 W CB -1.427 28.138 29.460 0.175 0.000 2.575 151 W HN -0.067 nan 8.180 nan 0.000 1.345 152 G N 0.536 109.429 108.800 0.155 0.000 2.557 152 G HA2 0.253 4.213 3.960 -0.001 0.000 0.302 152 G HA3 0.253 4.213 3.960 -0.001 0.000 0.302 152 G C 0.574 175.403 174.900 -0.118 0.000 1.311 152 G CA 0.060 45.213 45.100 0.087 0.000 1.030 152 G HN 0.160 nan 8.290 nan 0.000 0.509 153 Q N -0.824 118.936 119.800 -0.067 0.000 2.030 153 Q HA -0.113 4.227 4.340 -0.001 0.000 0.204 153 Q C 2.751 178.787 176.000 0.061 0.000 0.986 153 Q CA 1.258 57.057 55.803 -0.006 0.000 0.843 153 Q CB -0.310 28.474 28.738 0.078 0.000 0.904 153 Q HN 0.449 nan 8.270 nan 0.000 0.420 154 M N 0.135 119.745 119.600 0.016 0.000 2.213 154 M HA -0.097 4.382 4.480 -0.001 0.000 0.263 154 M C 2.183 178.535 176.300 0.088 0.000 1.062 154 M CA 1.065 56.406 55.300 0.068 0.000 1.105 154 M CB -1.058 31.589 32.600 0.078 0.000 1.385 154 M HN 0.030 nan 8.290 nan 0.000 0.417 155 S N 0.374 116.005 115.700 -0.114 0.000 2.348 155 S HA -0.125 4.345 4.470 -0.001 0.000 0.221 155 S C 1.726 176.259 174.600 -0.113 0.000 1.033 155 S CA 1.125 59.240 58.200 -0.141 0.000 1.010 155 S CB -0.412 62.691 63.200 -0.161 0.000 0.891 155 S HN 0.419 nan 8.310 nan 0.000 0.442 156 F N 0.759 120.398 119.950 -0.517 0.000 2.051 156 F HA -0.113 4.413 4.527 -0.001 0.000 0.296 156 F C 1.847 177.300 175.800 -0.579 0.000 1.122 156 F CA 1.504 59.010 58.000 -0.823 0.000 1.201 156 F CB -0.480 37.768 39.000 -1.253 0.000 0.978 156 F HN 0.267 nan 8.300 nan 0.000 0.472 157 W N 0.051 121.386 121.300 0.057 0.000 2.425 157 W HA 0.022 4.682 4.660 -0.001 0.000 0.277 157 W C 2.587 179.116 176.519 0.017 0.000 1.231 157 W CA 0.825 58.185 57.345 0.025 0.000 1.248 157 W CB -1.047 28.454 29.460 0.068 0.000 1.117 157 W HN 0.125 nan 8.180 nan 0.000 0.568 158 G N 0.365 109.306 108.800 0.236 0.000 2.402 158 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 158 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 158 G C 1.666 176.747 174.900 0.301 0.000 1.162 158 G CA 1.191 46.452 45.100 0.268 0.000 0.777 158 G HN 0.278 nan 8.290 nan 0.000 0.539 159 A N 0.289 123.260 122.820 0.251 0.000 1.902 159 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 159 A C 2.519 180.190 177.584 0.144 0.000 1.181 159 A CA 2.461 54.697 52.037 0.331 0.000 0.623 159 A CB -0.961 18.080 19.000 0.068 0.000 0.818 159 A HN 0.294 nan 8.150 nan 0.000 0.443 160 T N -0.378 114.131 114.554 -0.075 0.000 2.643 160 T HA -0.127 4.222 4.350 -0.001 0.000 0.264 160 T C 1.891 176.664 174.700 0.120 0.000 1.045 160 T CA 1.700 63.789 62.100 -0.019 0.000 1.155 160 T CB -0.500 68.403 68.868 0.058 0.000 0.863 160 T HN 0.129 nan 8.240 nan 0.000 0.420 161 V N 1.468 121.474 119.914 0.152 0.000 2.392 161 V HA -0.131 3.989 4.120 -0.001 0.000 0.249 161 V C 2.326 178.460 176.094 0.066 0.000 1.059 161 V CA 1.420 63.793 62.300 0.120 0.000 1.051 161 V CB -0.574 31.318 31.823 0.115 0.000 0.658 161 V HN 0.500 nan 8.190 nan 0.000 0.455 162 I N 0.456 121.037 120.570 0.018 0.000 2.584 162 I HA -0.137 4.033 4.170 -0.001 0.000 0.255 162 I C 2.581 178.787 176.117 0.149 0.000 1.145 162 I CA 1.720 62.959 61.300 -0.102 0.000 1.462 162 I CB -0.734 36.888 38.000 -0.630 0.000 1.102 162 I HN 0.478 nan 8.210 nan 0.000 0.433 163 T N -0.915 113.785 114.554 0.243 0.000 2.857 163 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 163 T C 2.054 176.974 174.700 0.366 0.000 1.048 163 T CA 1.009 63.320 62.100 0.351 0.000 1.139 163 T CB -1.021 68.005 68.868 0.262 0.000 0.874 163 T HN 0.398 nan 8.240 nan 0.000 0.455 164 G N 1.925 110.864 108.800 0.232 0.000 2.475 164 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.220 164 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.220 164 G C 1.485 176.485 174.900 0.167 0.000 1.125 164 G CA 0.721 45.934 45.100 0.188 0.000 0.755 164 G HN 0.519 nan 8.290 nan 0.000 0.565 165 L N -0.806 120.489 121.223 0.121 0.000 2.129 165 L HA -0.104 4.236 4.340 -0.001 0.000 0.212 165 L C 2.577 179.361 176.870 -0.144 0.000 1.087 165 L CA 0.980 55.797 54.840 -0.040 0.000 0.757 165 L CB -0.431 41.520 42.059 -0.180 0.000 0.896 165 L HN 0.187 nan 8.230 nan 0.000 0.434 166 F N -0.455 119.555 119.950 0.100 0.000 2.456 166 F HA 0.029 4.555 4.527 -0.001 0.000 0.298 166 F C 2.289 178.133 175.800 0.074 0.000 1.104 166 F CA 0.761 58.809 58.000 0.079 0.000 1.435 166 F CB -0.672 38.383 39.000 0.093 0.000 1.078 166 F HN -0.031 nan 8.300 nan 0.000 0.546 167 G N -0.593 108.349 108.800 0.236 0.000 3.279 167 G HA2 0.283 4.242 3.960 -0.001 0.000 0.230 167 G HA3 0.283 4.242 3.960 -0.001 0.000 0.230 167 G C 1.172 176.124 174.900 0.086 0.000 1.230 167 G CA 0.558 45.762 45.100 0.173 0.000 0.891 167 G HN 0.363 nan 8.290 nan 0.000 0.518 168 A N -0.110 122.744 122.820 0.057 0.000 2.419 168 A HA 0.476 4.795 4.320 -0.001 0.000 0.233 168 A C 0.765 178.248 177.584 -0.168 0.000 1.217 168 A CA -0.334 51.720 52.037 0.027 0.000 0.944 168 A CB 0.259 19.346 19.000 0.144 0.000 1.025 168 A HN 0.288 nan 8.150 nan 0.000 0.524 169 I N 2.167 122.639 120.570 -0.163 0.000 2.533 169 I HA 0.144 4.313 4.170 -0.001 0.000 0.284 169 I C -2.347 173.535 176.117 -0.391 0.000 1.109 169 I CA -1.747 59.340 61.300 -0.353 0.000 1.412 169 I CB 0.971 38.904 38.000 -0.113 0.000 1.396 169 I HN 0.042 nan 8.210 nan 0.000 0.543 170 P HA 0.057 nan 4.420 nan 0.000 0.265 170 P C 0.812 177.998 177.300 -0.190 0.000 1.193 170 P CA 0.727 63.611 63.100 -0.360 0.000 0.765 170 P CB 0.819 32.287 31.700 -0.386 0.000 0.823 171 G N 3.819 112.550 108.800 -0.116 0.000 5.452 171 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.310 171 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.310 171 G C 1.036 175.911 174.900 -0.042 0.000 1.392 171 G CA 0.444 45.503 45.100 -0.068 0.000 0.942 171 G HN 0.610 nan 8.290 nan 0.000 0.776 172 I N 0.956 121.495 120.570 -0.052 0.000 2.928 172 I HA 0.323 4.493 4.170 -0.001 0.000 0.266 172 I C 2.469 178.586 176.117 0.000 0.000 1.234 172 I CA 1.517 62.796 61.300 -0.035 0.000 1.483 172 I CB -0.972 36.996 38.000 -0.054 0.000 1.097 172 I HN 0.544 nan 8.210 nan 0.000 0.455 173 G N 1.717 110.519 108.800 0.003 0.000 2.681 173 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.220 173 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.220 173 G C 1.649 176.636 174.900 0.146 0.000 1.210 173 G CA 1.625 46.761 45.100 0.060 0.000 0.783 173 G HN 0.667 nan 8.290 nan 0.000 0.609 174 H N -0.093 118.994 119.070 0.028 0.000 2.457 174 H HA -0.036 4.519 4.556 -0.001 0.000 0.297 174 H C 2.754 178.119 175.328 0.061 0.000 1.092 174 H CA 1.089 57.166 56.048 0.048 0.000 1.309 174 H CB 0.215 29.996 29.762 0.031 0.000 1.382 174 H HN 0.388 nan 8.280 nan 0.000 0.535 175 S N 0.257 115.964 115.700 0.012 0.000 2.335 175 S HA -0.094 4.375 4.470 -0.001 0.000 0.217 175 S C 2.236 176.844 174.600 0.013 0.000 1.032 175 S CA 0.931 59.098 58.200 -0.056 0.000 0.985 175 S CB -0.104 63.063 63.200 -0.055 0.000 0.896 175 S HN 0.332 nan 8.310 nan 0.000 0.445 176 I N 1.654 122.246 120.570 0.037 0.000 2.145 176 I HA -0.327 3.843 4.170 -0.001 0.000 0.244 176 I C 2.801 179.053 176.117 0.225 0.000 1.075 176 I CA 1.752 63.113 61.300 0.103 0.000 1.332 176 I CB -0.465 37.601 38.000 0.111 0.000 1.033 176 I HN 0.438 nan 8.210 nan 0.000 0.410 177 Q N 0.399 120.319 119.800 0.199 0.000 2.124 177 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 177 Q C 2.030 178.113 176.000 0.138 0.000 0.977 177 Q CA 2.165 58.090 55.803 0.204 0.000 0.850 177 Q CB -0.019 28.867 28.738 0.246 0.000 0.901 177 Q HN 0.417 nan 8.270 nan 0.000 0.429 178 T N -0.275 114.316 114.554 0.061 0.000 2.951 178 T HA -0.134 4.216 4.350 -0.001 0.000 0.268 178 T C 0.741 175.496 174.700 0.092 0.000 1.073 178 T CA 1.044 63.149 62.100 0.008 0.000 1.134 178 T CB -0.294 68.486 68.868 -0.147 0.000 0.884 178 T HN 0.557 nan 8.240 nan 0.000 0.479 179 W N 1.396 122.657 121.300 -0.065 0.000 2.453 179 W HA 0.138 4.798 4.660 -0.001 0.000 0.289 179 W C 1.522 178.017 176.519 -0.041 0.000 1.215 179 W CA 0.449 57.762 57.345 -0.053 0.000 1.297 179 W CB -0.377 29.052 29.460 -0.053 0.000 1.113 179 W HN 0.118 nan 8.180 nan 0.000 0.551 180 L N 0.357 121.611 121.223 0.052 0.000 2.141 180 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 180 L C 2.137 178.919 176.870 -0.148 0.000 1.094 180 L CA 1.068 55.823 54.840 -0.141 0.000 0.763 180 L CB -0.653 41.412 42.059 0.010 0.000 0.908 180 L HN 0.064 nan 8.230 nan 0.000 0.437 181 L N -0.957 120.218 121.223 -0.080 0.000 2.529 181 L HA 0.174 4.513 4.340 -0.001 0.000 0.223 181 L C 1.601 178.393 176.870 -0.131 0.000 1.113 181 L CA 0.472 55.244 54.840 -0.113 0.000 0.861 181 L CB -0.465 41.571 42.059 -0.039 0.000 1.012 181 L HN 0.404 nan 8.230 nan 0.000 0.461 182 G N 0.432 109.160 108.800 -0.121 0.000 2.212 182 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.267 182 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.267 182 G C 0.444 175.307 174.900 -0.061 0.000 1.002 182 G CA 0.332 45.369 45.100 -0.105 0.000 0.729 182 G HN 0.681 nan 8.290 nan 0.000 0.517 183 G N -1.806 106.971 108.800 -0.038 0.000 2.428 183 G HA2 0.709 4.668 3.960 -0.001 0.000 0.304 183 G HA3 0.709 4.668 3.960 -0.001 0.000 0.304 183 G C -2.120 172.789 174.900 0.014 0.000 1.303 183 G CA 0.295 45.387 45.100 -0.013 0.000 0.825 183 G HN 0.256 nan 8.290 nan 0.000 0.484 184 P HA 0.396 nan 4.420 nan 0.000 0.249 184 P C 0.307 177.657 177.300 0.083 0.000 1.229 184 P CA 1.132 64.276 63.100 0.072 0.000 0.788 184 P CB 0.762 32.506 31.700 0.073 0.000 1.072 185 A N -1.100 121.755 122.820 0.059 0.000 2.536 185 A HA 0.458 4.777 4.320 -0.001 0.000 0.293 185 A C -1.259 176.330 177.584 0.008 0.000 1.119 185 A CA -0.531 51.542 52.037 0.059 0.000 0.654 185 A CB 0.890 19.953 19.000 0.104 0.000 1.291 185 A HN -0.191 nan 8.150 nan 0.000 0.439 186 V N 1.947 121.822 119.914 -0.065 0.000 2.470 186 V HA 0.463 4.583 4.120 -0.001 0.000 0.276 186 V C -0.168 175.992 176.094 0.109 0.000 1.040 186 V CA 0.841 63.046 62.300 -0.159 0.000 1.008 186 V CB 0.773 32.194 31.823 -0.671 0.000 0.990 186 V HN 0.924 nan 8.190 nan 0.000 0.477 187 D N 3.043 123.518 120.400 0.125 0.000 2.921 187 D HA 0.197 4.836 4.640 -0.001 0.000 0.329 187 D C 0.889 177.169 176.300 -0.034 0.000 1.293 187 D CA -0.641 53.465 54.000 0.176 0.000 0.964 187 D CB 1.109 41.950 40.800 0.068 0.000 1.435 187 D HN 0.257 nan 8.370 nan 0.000 0.548 188 N N -0.113 118.479 118.700 -0.180 0.000 2.091 188 N HA -0.181 4.559 4.740 -0.001 0.000 0.193 188 N C 1.511 176.839 175.510 -0.302 0.000 1.021 188 N CA 2.518 55.336 53.050 -0.387 0.000 0.862 188 N CB -0.267 37.948 38.487 -0.454 0.000 1.018 188 N HN 0.365 nan 8.380 nan 0.000 0.429 189 A N -0.978 121.718 122.820 -0.206 0.000 1.978 189 A HA -0.166 4.153 4.320 -0.001 0.000 0.220 189 A C 2.246 179.684 177.584 -0.244 0.000 1.170 189 A CA 2.272 54.198 52.037 -0.184 0.000 0.636 189 A CB -1.146 17.771 19.000 -0.139 0.000 0.810 189 A HN 0.491 nan 8.150 nan 0.000 0.448 190 T N -0.078 114.299 114.554 -0.294 0.000 2.770 190 T HA -0.087 4.262 4.350 -0.001 0.000 0.263 190 T C 1.836 176.170 174.700 -0.609 0.000 1.039 190 T CA 1.255 63.044 62.100 -0.518 0.000 1.142 190 T CB -0.452 68.126 68.868 -0.482 0.000 0.868 190 T HN 0.295 nan 8.240 nan 0.000 0.435 191 L N 2.120 123.105 121.223 -0.397 0.000 2.013 191 L HA -0.094 4.245 4.340 -0.001 0.000 0.212 191 L C 2.020 178.830 176.870 -0.100 0.000 1.073 191 L CA 1.833 56.504 54.840 -0.283 0.000 0.753 191 L CB -1.239 40.427 42.059 -0.656 0.000 0.890 191 L HN 0.277 nan 8.230 nan 0.000 0.432 192 N N -0.894 117.717 118.700 -0.149 0.000 2.149 192 N HA -0.254 4.486 4.740 -0.001 0.000 0.188 192 N C 1.938 177.499 175.510 0.085 0.000 1.019 192 N CA 1.284 54.325 53.050 -0.014 0.000 0.857 192 N CB -0.080 38.360 38.487 -0.078 0.000 0.997 192 N HN 0.517 nan 8.380 nan 0.000 0.426 193 R N -0.907 119.593 120.500 0.001 0.000 2.161 193 R HA -0.004 4.336 4.340 -0.001 0.000 0.213 193 R C 1.229 177.674 176.300 0.243 0.000 1.055 193 R CA 0.569 56.703 56.100 0.057 0.000 0.996 193 R CB -0.353 29.914 30.300 -0.055 0.000 0.901 193 R HN 0.117 nan 8.270 nan 0.000 0.456 194 F N 1.047 121.007 119.950 0.016 0.000 2.186 194 F HA -0.032 4.495 4.527 -0.001 0.000 0.299 194 F C 2.060 177.914 175.800 0.091 0.000 1.090 194 F CA -0.045 57.959 58.000 0.007 0.000 1.307 194 F CB -1.008 37.969 39.000 -0.038 0.000 1.019 194 F HN -0.056 nan 8.300 nan 0.000 0.489 195 F N 0.601 120.703 119.950 0.253 0.000 2.069 195 F HA -0.259 4.268 4.527 -0.001 0.000 0.298 195 F C 2.808 178.752 175.800 0.240 0.000 1.113 195 F CA 1.872 60.016 58.000 0.240 0.000 1.214 195 F CB -1.038 38.109 39.000 0.246 0.000 0.978 195 F HN -0.043 nan 8.300 nan 0.000 0.474 196 S N 0.300 116.007 115.700 0.012 0.000 2.359 196 S HA -0.204 4.266 4.470 -0.001 0.000 0.224 196 S C 2.178 176.742 174.600 -0.060 0.000 1.035 196 S CA 1.837 59.978 58.200 -0.097 0.000 1.018 196 S CB -0.648 62.563 63.200 0.017 0.000 0.876 196 S HN 0.457 nan 8.310 nan 0.000 0.448 197 L N 0.224 121.460 121.223 0.021 0.000 2.141 197 L HA -0.036 4.303 4.340 -0.001 0.000 0.209 197 L C 2.601 179.483 176.870 0.021 0.000 1.094 197 L CA 1.538 56.392 54.840 0.024 0.000 0.763 197 L CB -0.687 41.391 42.059 0.031 0.000 0.908 197 L HN 0.433 nan 8.230 nan 0.000 0.437 198 H N -0.897 118.116 119.070 -0.096 0.000 2.387 198 H HA -0.237 4.318 4.556 -0.001 0.000 0.299 198 H C 2.029 177.280 175.328 -0.128 0.000 1.090 198 H CA 1.680 57.658 56.048 -0.117 0.000 1.332 198 H CB -0.066 29.636 29.762 -0.100 0.000 1.386 198 H HN 0.247 nan 8.280 nan 0.000 0.516 199 Y N -0.086 120.007 120.300 -0.346 0.000 2.184 199 Y HA -0.101 4.448 4.550 -0.001 0.000 0.290 199 Y C 2.370 178.157 175.900 -0.189 0.000 1.129 199 Y CA 1.407 59.294 58.100 -0.354 0.000 1.144 199 Y CB -0.636 37.598 38.460 -0.377 0.000 0.995 199 Y HN 0.339 nan 8.280 nan 0.000 0.513 200 L N -0.327 120.996 121.223 0.166 0.000 2.056 200 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 200 L C 2.131 179.072 176.870 0.119 0.000 1.078 200 L CA 1.595 56.562 54.840 0.211 0.000 0.749 200 L CB -0.900 41.225 42.059 0.109 0.000 0.901 200 L HN 0.252 nan 8.230 nan 0.000 0.433 201 L N -0.225 120.998 121.223 -0.000 0.000 2.043 201 L HA -0.186 4.154 4.340 -0.001 0.000 0.212 201 L C -0.054 176.760 176.870 -0.093 0.000 1.075 201 L CA 1.685 56.507 54.840 -0.030 0.000 0.752 201 L CB -1.864 40.176 42.059 -0.033 0.000 0.891 201 L HN 0.284 nan 8.230 nan 0.000 0.432 202 P HA -0.186 nan 4.420 nan 0.000 0.217 202 P C 1.338 178.465 177.300 -0.288 0.000 1.148 202 P CA 1.477 64.379 63.100 -0.331 0.000 0.828 202 P CB -0.029 31.340 31.700 -0.552 0.000 0.783 203 F N -1.518 118.424 119.950 -0.015 0.000 2.325 203 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 203 F C 2.253 178.054 175.800 0.002 0.000 1.090 203 F CA 0.792 58.793 58.000 0.001 0.000 1.392 203 F CB -1.475 37.534 39.000 0.016 0.000 1.053 203 F HN -0.244 nan 8.300 nan 0.000 0.521 204 V N 0.160 120.161 119.914 0.145 0.000 2.379 204 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 204 V C 2.358 178.484 176.094 0.053 0.000 1.044 204 V CA 1.438 63.791 62.300 0.089 0.000 1.036 204 V CB -0.528 31.331 31.823 0.060 0.000 0.664 204 V HN 0.251 nan 8.190 nan 0.000 0.453 205 I N 0.656 121.235 120.570 0.016 0.000 2.163 205 I HA -0.287 3.882 4.170 -0.001 0.000 0.243 205 I C 2.732 178.868 176.117 0.032 0.000 1.085 205 I CA 1.612 62.911 61.300 -0.001 0.000 1.347 205 I CB -0.672 37.310 38.000 -0.031 0.000 1.044 205 I HN 0.306 nan 8.210 nan 0.000 0.408 206 A N 0.888 123.734 122.820 0.043 0.000 1.892 206 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 206 A C 2.551 180.183 177.584 0.079 0.000 1.188 206 A CA 2.276 54.353 52.037 0.067 0.000 0.631 206 A CB -0.975 18.086 19.000 0.101 0.000 0.822 206 A HN 0.465 nan 8.150 nan 0.000 0.447 207 A N -0.648 122.225 122.820 0.088 0.000 1.933 207 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 207 A C 2.194 179.827 177.584 0.082 0.000 1.175 207 A CA 1.488 53.573 52.037 0.079 0.000 0.628 207 A CB -0.563 18.484 19.000 0.077 0.000 0.814 207 A HN 0.480 nan 8.150 nan 0.000 0.444 208 L N -0.677 120.589 121.223 0.071 0.000 2.056 208 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 208 L C 2.507 179.438 176.870 0.101 0.000 1.078 208 L CA 0.961 55.843 54.840 0.070 0.000 0.749 208 L CB -0.477 41.599 42.059 0.029 0.000 0.901 208 L HN 0.237 nan 8.230 nan 0.000 0.433 209 V N 0.091 120.062 119.914 0.095 0.000 2.392 209 V HA -0.330 3.789 4.120 -0.001 0.000 0.249 209 V C 2.732 178.922 176.094 0.160 0.000 1.059 209 V CA 1.762 64.152 62.300 0.150 0.000 1.051 209 V CB -0.877 31.021 31.823 0.125 0.000 0.658 209 V HN 0.501 nan 8.190 nan 0.000 0.455 210 A N 0.056 122.941 122.820 0.109 0.000 1.883 210 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 210 A C 2.145 179.808 177.584 0.131 0.000 1.186 210 A CA 2.144 54.227 52.037 0.077 0.000 0.624 210 A CB -0.551 18.478 19.000 0.049 0.000 0.822 210 A HN 0.507 nan 8.150 nan 0.000 0.444 211 I N -1.449 119.231 120.570 0.184 0.000 2.315 211 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 211 I C 2.453 178.677 176.117 0.179 0.000 1.117 211 I CA 1.620 63.067 61.300 0.245 0.000 1.404 211 I CB -0.441 37.671 38.000 0.187 0.000 1.071 211 I HN 0.530 nan 8.210 nan 0.000 0.419 212 H N 1.338 120.443 119.070 0.058 0.000 2.265 212 H HA -0.200 4.356 4.556 -0.001 0.000 0.295 212 H C 2.169 177.438 175.328 -0.099 0.000 1.084 212 H CA 2.087 58.171 56.048 0.059 0.000 1.261 212 H CB -0.271 29.570 29.762 0.130 0.000 1.360 212 H HN 0.208 nan 8.280 nan 0.000 0.487 213 I N -0.892 119.568 120.570 -0.183 0.000 2.118 213 I HA -0.339 3.831 4.170 -0.001 0.000 0.241 213 I C 2.298 178.005 176.117 -0.682 0.000 1.070 213 I CA 1.469 62.330 61.300 -0.731 0.000 1.327 213 I CB -0.457 37.386 38.000 -0.262 0.000 1.034 213 I HN 0.445 nan 8.210 nan 0.000 0.405 214 W N 2.000 123.043 121.300 -0.427 0.000 2.321 214 W HA -0.283 4.376 4.660 -0.001 0.000 0.306 214 W C 2.555 178.936 176.519 -0.230 0.000 1.217 214 W CA 1.778 58.952 57.345 -0.286 0.000 1.257 214 W CB -0.819 28.545 29.460 -0.161 0.000 1.145 214 W HN 0.176 nan 8.180 nan 0.000 0.509 215 A N 0.863 123.584 122.820 -0.165 0.000 1.859 215 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 215 A C 2.046 179.580 177.584 -0.083 0.000 1.198 215 A CA 2.567 54.494 52.037 -0.182 0.000 0.629 215 A CB -1.830 17.133 19.000 -0.062 0.000 0.830 215 A HN 0.539 nan 8.150 nan 0.000 0.446 216 F N -1.772 118.178 119.950 -0.000 0.000 2.502 216 F HA 0.048 4.575 4.527 -0.001 0.000 0.298 216 F C 1.928 177.722 175.800 -0.010 0.000 1.111 216 F CA 1.086 59.070 58.000 -0.027 0.000 1.445 216 F CB -1.044 37.902 39.000 -0.090 0.000 1.081 216 F HN 0.338 nan 8.300 nan 0.000 0.558 217 H N -0.018 119.003 119.070 -0.082 0.000 2.462 217 H HA -0.001 4.555 4.556 -0.001 0.000 0.292 217 H C 1.910 177.274 175.328 0.061 0.000 1.049 217 H CA 1.290 57.363 56.048 0.042 0.000 1.334 217 H CB 0.193 29.936 29.762 -0.032 0.000 1.404 217 H HN 0.353 nan 8.280 nan 0.000 0.544 218 S N -0.252 115.534 115.700 0.143 0.000 2.406 218 S HA -0.098 4.372 4.470 -0.001 0.000 0.228 218 S C 2.279 176.907 174.600 0.046 0.000 1.020 218 S CA 1.567 59.814 58.200 0.078 0.000 0.965 218 S CB -0.034 63.145 63.200 -0.036 0.000 0.798 218 S HN 0.641 nan 8.310 nan 0.000 0.488 219 T N -1.666 112.920 114.554 0.053 0.000 2.990 219 T HA 0.509 4.859 4.350 -0.001 0.000 0.249 219 T C 0.934 175.656 174.700 0.037 0.000 1.039 219 T CA 0.463 62.587 62.100 0.039 0.000 1.036 219 T CB 0.188 69.081 68.868 0.042 0.000 0.994 219 T HN 0.640 nan 8.240 nan 0.000 0.489 220 G N 1.742 110.574 108.800 0.054 0.000 2.712 220 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.686 220 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.686 220 G C -1.051 173.865 174.900 0.027 0.000 1.181 220 G CA -0.894 44.217 45.100 0.018 0.000 0.762 220 G HN 0.501 nan 8.290 nan 0.000 0.641 221 N N 0.477 119.163 118.700 -0.024 0.000 2.508 221 N HA 0.218 4.958 4.740 -0.001 0.000 0.264 221 N C 0.432 175.955 175.510 0.022 0.000 1.216 221 N CA -0.150 52.878 53.050 -0.038 0.000 0.943 221 N CB 0.909 39.325 38.487 -0.118 0.000 1.113 221 N HN 0.737 nan 8.380 nan 0.000 0.447 222 N N 0.543 119.307 118.700 0.107 0.000 2.524 222 N HA 0.071 4.811 4.740 -0.001 0.000 0.283 222 N C -0.832 174.812 175.510 0.224 0.000 1.142 222 N CA -0.425 52.709 53.050 0.140 0.000 0.984 222 N CB 0.590 39.160 38.487 0.138 0.000 1.155 222 N HN 0.626 nan 8.380 nan 0.000 0.467 223 N N 1.180 119.906 118.700 0.043 0.000 2.525 223 N HA 0.544 5.284 4.740 -0.001 0.000 0.288 223 N C -2.421 173.000 175.510 -0.149 0.000 1.242 223 N CA -1.551 51.335 53.050 -0.273 0.000 0.905 223 N CB 0.989 39.309 38.487 -0.279 0.000 1.258 223 N HN 0.243 nan 8.380 nan 0.000 0.551 224 P HA -0.090 nan 4.420 nan 0.000 0.226 224 P C 0.516 177.972 177.300 0.260 0.000 1.146 224 P CA 1.356 64.421 63.100 -0.057 0.000 0.773 224 P CB -0.015 31.590 31.700 -0.157 0.000 0.772 225 T N -6.405 108.256 114.554 0.178 0.000 3.040 225 T HA 0.309 4.659 4.350 -0.001 0.000 0.250 225 T C 1.648 176.537 174.700 0.316 0.000 1.058 225 T CA 0.494 62.794 62.100 0.335 0.000 0.988 225 T CB -0.720 68.313 68.868 0.276 0.000 0.993 225 T HN 0.169 nan 8.240 nan 0.000 0.519 226 G N 1.100 110.013 108.800 0.187 0.000 2.196 226 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.268 226 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.268 226 G C 0.092 175.032 174.900 0.067 0.000 0.975 226 G CA 0.281 45.449 45.100 0.114 0.000 0.648 226 G HN 0.770 nan 8.290 nan 0.000 0.538 227 V N 1.710 121.664 119.914 0.068 0.000 2.406 227 V HA 0.404 4.523 4.120 -0.001 0.000 0.272 227 V C 0.692 176.791 176.094 0.008 0.000 1.043 227 V CA -1.131 61.184 62.300 0.025 0.000 0.915 227 V CB 1.550 33.384 31.823 0.018 0.000 0.988 227 V HN 0.287 nan 8.190 nan 0.000 0.466 228 E N 2.586 122.785 120.200 -0.002 0.000 2.425 228 E HA 0.167 4.516 4.350 -0.001 0.000 0.258 228 E C -0.081 176.513 176.600 -0.009 0.000 1.151 228 E CA -0.159 56.236 56.400 -0.007 0.000 0.958 228 E CB 1.123 30.819 29.700 -0.008 0.000 0.968 228 E HN 0.394 nan 8.360 nan 0.000 0.451 229 V N 2.430 122.337 119.914 -0.012 0.000 2.811 229 V HA 0.035 4.155 4.120 -0.001 0.000 0.302 229 V C 1.012 177.103 176.094 -0.005 0.000 1.063 229 V CA 0.070 62.363 62.300 -0.012 0.000 1.088 229 V CB 0.557 32.372 31.823 -0.013 0.000 0.982 229 V HN 0.460 nan 8.190 nan 0.000 0.485 230 R N 3.716 124.215 120.500 -0.002 0.000 2.491 230 R HA 0.305 4.645 4.340 -0.001 0.000 0.283 230 R C 0.443 176.746 176.300 0.006 0.000 1.072 230 R CA -0.102 55.999 56.100 0.002 0.000 1.048 230 R CB 0.473 30.776 30.300 0.004 0.000 0.983 230 R HN 0.608 nan 8.270 nan 0.000 0.450 231 R N 1.358 121.862 120.500 0.007 0.000 2.662 231 R HA 0.082 4.421 4.340 -0.001 0.000 0.396 231 R C 0.473 176.781 176.300 0.013 0.000 1.096 231 R CA 0.038 56.144 56.100 0.011 0.000 1.081 231 R CB 0.785 31.090 30.300 0.008 0.000 1.382 231 R HN 0.657 nan 8.270 nan 0.000 0.580 232 T N -2.055 112.507 114.554 0.012 0.000 3.065 232 T HA 0.045 4.395 4.350 -0.001 0.000 0.252 232 T C 0.692 175.401 174.700 0.015 0.000 1.099 232 T CA 0.224 62.331 62.100 0.012 0.000 1.063 232 T CB 0.178 69.052 68.868 0.009 0.000 0.948 232 T HN 0.197 nan 8.240 nan 0.000 0.506 233 S N -0.630 115.081 115.700 0.018 0.000 2.604 233 S HA 0.360 4.830 4.470 -0.001 0.000 0.296 233 S C 0.074 174.689 174.600 0.026 0.000 1.097 233 S CA -1.098 57.114 58.200 0.021 0.000 0.883 233 S CB 1.421 64.631 63.200 0.017 0.000 1.081 233 S HN 0.070 nan 8.310 nan 0.000 0.448 234 K N 1.413 121.833 120.400 0.033 0.000 2.173 234 K HA -0.202 4.118 4.320 -0.001 0.000 0.207 234 K C 2.332 178.953 176.600 0.035 0.000 1.046 234 K CA 1.788 58.101 56.287 0.043 0.000 0.929 234 K CB -0.626 31.901 32.500 0.045 0.000 0.720 234 K HN 0.737 nan 8.250 nan 0.000 0.453 235 A N 2.475 125.311 122.820 0.027 0.000 1.849 235 A HA -0.267 4.053 4.320 -0.001 0.000 0.217 235 A C 2.067 179.663 177.584 0.021 0.000 1.202 235 A CA 2.156 54.206 52.037 0.023 0.000 0.629 235 A CB -0.599 18.412 19.000 0.019 0.000 0.834 235 A HN 0.563 nan 8.150 nan 0.000 0.447 236 E N -0.440 119.771 120.200 0.018 0.000 2.299 236 E HA 0.204 4.554 4.350 -0.001 0.000 0.193 236 E C 1.910 178.519 176.600 0.014 0.000 0.998 236 E CA 0.692 57.101 56.400 0.015 0.000 0.851 236 E CB -0.314 29.393 29.700 0.012 0.000 0.795 236 E HN 0.498 nan 8.360 nan 0.000 0.492 237 A N 1.891 124.723 122.820 0.019 0.000 1.933 237 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 237 A C 2.135 179.729 177.584 0.017 0.000 1.175 237 A CA 1.427 53.476 52.037 0.020 0.000 0.628 237 A CB -0.440 18.579 19.000 0.032 0.000 0.814 237 A HN 0.253 nan 8.150 nan 0.000 0.444 238 Q N -0.593 119.220 119.800 0.022 0.000 2.369 238 Q HA -0.057 4.283 4.340 -0.001 0.000 0.206 238 Q C 1.654 177.651 176.000 -0.005 0.000 0.963 238 Q CA 1.057 56.868 55.803 0.013 0.000 0.894 238 Q CB -0.056 28.697 28.738 0.025 0.000 0.965 238 Q HN 0.650 nan 8.270 nan 0.000 0.475 239 K N 0.301 120.704 120.400 0.004 0.000 2.228 239 K HA -0.071 4.249 4.320 -0.001 0.000 0.202 239 K C 0.991 177.592 176.600 0.002 0.000 1.051 239 K CA 0.883 57.177 56.287 0.011 0.000 0.960 239 K CB 0.317 32.829 32.500 0.020 0.000 0.743 239 K HN 0.137 nan 8.250 nan 0.000 0.458 240 D N 0.195 120.585 120.400 -0.016 0.000 2.301 240 D HA -0.032 4.608 4.640 -0.001 0.000 0.206 240 D C 1.028 177.274 176.300 -0.091 0.000 0.979 240 D CA 0.840 54.818 54.000 -0.038 0.000 0.874 240 D CB 0.449 41.235 40.800 -0.023 0.000 0.968 240 D HN 0.261 nan 8.370 nan 0.000 0.510 241 T N -1.351 113.159 114.554 -0.074 0.000 2.841 241 T HA 0.645 4.994 4.350 -0.001 0.000 0.276 241 T C -0.088 174.536 174.700 -0.128 0.000 1.003 241 T CA -0.822 61.230 62.100 -0.080 0.000 0.995 241 T CB 2.129 70.995 68.868 -0.003 0.000 1.260 241 T HN -0.083 nan 8.240 nan 0.000 0.581 242 V N -2.744 117.108 119.914 -0.103 0.000 3.048 242 V HA 0.755 4.875 4.120 -0.001 0.000 0.303 242 V C -3.198 172.930 176.094 0.056 0.000 1.214 242 V CA -2.644 59.544 62.300 -0.186 0.000 0.984 242 V CB 1.872 33.319 31.823 -0.626 0.000 1.054 242 V HN 0.932 nan 8.190 nan 0.000 0.430 243 P HA 0.112 nan 4.420 nan 0.000 0.268 243 P C 0.541 178.057 177.300 0.360 0.000 1.205 243 P CA 0.113 63.378 63.100 0.275 0.000 0.771 243 P CB 0.796 32.646 31.700 0.250 0.000 0.858 244 F N 3.005 123.125 119.950 0.283 0.000 2.120 244 F HA -0.084 4.443 4.527 -0.001 0.000 0.300 244 F C 0.982 176.987 175.800 0.340 0.000 1.095 244 F CA 1.168 59.386 58.000 0.363 0.000 1.249 244 F CB -0.103 39.078 39.000 0.302 0.000 0.995 244 F HN 0.360 nan 8.300 nan 0.000 0.480 245 W N 3.172 124.543 121.300 0.118 0.000 2.433 245 W HA 0.262 4.922 4.660 -0.001 0.000 0.315 245 W C -2.168 174.279 176.519 -0.121 0.000 1.087 245 W CA -1.963 55.358 57.345 -0.039 0.000 1.205 245 W CB 1.363 30.850 29.460 0.045 0.000 1.288 245 W HN -0.111 nan 8.180 nan 0.000 0.504 246 P HA -0.048 nan 4.420 nan 0.000 0.257 246 P C 0.768 177.561 177.300 -0.845 0.000 1.241 246 P CA 0.630 62.810 63.100 -1.534 0.000 0.816 246 P CB 0.339 30.830 31.700 -2.014 0.000 1.150 247 Y N 0.147 120.117 120.300 -0.550 0.000 2.014 247 Y HA -0.218 4.331 4.550 -0.001 0.000 0.272 247 Y C 2.244 177.748 175.900 -0.660 0.000 1.164 247 Y CA 1.830 59.574 58.100 -0.593 0.000 1.114 247 Y CB -1.772 36.276 38.460 -0.687 0.000 0.961 247 Y HN -0.139 nan 8.280 nan 0.000 0.489 248 F N -1.512 118.209 119.950 -0.381 0.000 2.416 248 F HA -0.058 4.469 4.527 -0.001 0.000 0.296 248 F C 2.259 177.710 175.800 -0.581 0.000 1.099 248 F CA 0.133 57.788 58.000 -0.575 0.000 1.427 248 F CB -0.575 37.942 39.000 -0.805 0.000 1.079 248 F HN 0.015 nan 8.300 nan 0.000 0.536 249 I N -0.465 119.846 120.570 -0.432 0.000 2.208 249 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 249 I C 2.322 178.456 176.117 0.029 0.000 1.097 249 I CA 1.570 62.846 61.300 -0.040 0.000 1.363 249 I CB -0.672 37.541 38.000 0.355 0.000 1.051 249 I HN 0.082 nan 8.210 nan 0.000 0.413 250 I N 0.809 121.343 120.570 -0.061 0.000 2.202 250 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 250 I C 2.558 178.701 176.117 0.043 0.000 1.091 250 I CA 1.409 62.695 61.300 -0.024 0.000 1.368 250 I CB -0.537 37.382 38.000 -0.134 0.000 1.058 250 I HN 0.095 nan 8.210 nan 0.000 0.410 251 K N 0.303 120.703 120.400 0.000 0.000 2.074 251 K HA -0.247 4.072 4.320 -0.001 0.000 0.209 251 K C 1.784 178.378 176.600 -0.011 0.000 1.048 251 K CA 1.920 58.234 56.287 0.044 0.000 0.926 251 K CB -0.119 32.357 32.500 -0.040 0.000 0.713 251 K HN 0.258 nan 8.250 nan 0.000 0.444 252 D N 0.012 120.401 120.400 -0.018 0.000 2.092 252 D HA -0.151 4.488 4.640 -0.001 0.000 0.193 252 D C 1.936 178.238 176.300 0.004 0.000 0.994 252 D CA 1.329 55.311 54.000 -0.030 0.000 0.828 252 D CB -0.274 40.559 40.800 0.056 0.000 0.963 252 D HN 0.032 nan 8.370 nan 0.000 0.450 253 V N 1.391 121.348 119.914 0.072 0.000 2.332 253 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 253 V C 2.218 178.400 176.094 0.146 0.000 1.055 253 V CA 1.302 63.657 62.300 0.092 0.000 1.038 253 V CB -0.643 31.248 31.823 0.113 0.000 0.651 253 V HN 0.095 nan 8.190 nan 0.000 0.450 254 F N 2.109 122.072 119.950 0.023 0.000 2.075 254 F HA -0.142 4.385 4.527 -0.001 0.000 0.297 254 F C 2.311 178.174 175.800 0.104 0.000 1.113 254 F CA 1.367 59.410 58.000 0.072 0.000 1.218 254 F CB -1.085 37.983 39.000 0.113 0.000 0.984 254 F HN 0.086 nan 8.300 nan 0.000 0.472 255 A N 1.023 123.704 122.820 -0.232 0.000 1.883 255 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 255 A C 2.469 179.945 177.584 -0.179 0.000 1.186 255 A CA 1.905 53.756 52.037 -0.310 0.000 0.624 255 A CB -1.356 17.410 19.000 -0.390 0.000 0.822 255 A HN 0.520 nan 8.150 nan 0.000 0.444 256 L N -0.888 120.257 121.223 -0.130 0.000 2.079 256 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 256 L C 3.093 179.905 176.870 -0.098 0.000 1.081 256 L CA 1.070 55.820 54.840 -0.149 0.000 0.752 256 L CB -0.441 41.522 42.059 -0.159 0.000 0.896 256 L HN 0.474 nan 8.230 nan 0.000 0.433 257 A N -0.568 122.252 122.820 0.000 0.000 1.902 257 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 257 A C 2.255 179.891 177.584 0.088 0.000 1.181 257 A CA 1.806 53.884 52.037 0.068 0.000 0.623 257 A CB -0.746 18.348 19.000 0.156 0.000 0.818 257 A HN 0.220 nan 8.150 nan 0.000 0.443 258 V N -0.430 119.519 119.914 0.059 0.000 2.358 258 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 258 V C 2.538 178.683 176.094 0.085 0.000 1.047 258 V CA 1.862 64.201 62.300 0.064 0.000 1.035 258 V CB -0.937 30.868 31.823 -0.030 0.000 0.658 258 V HN 0.351 nan 8.190 nan 0.000 0.452 259 V N 0.008 119.951 119.914 0.048 0.000 2.261 259 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 259 V C 2.359 178.556 176.094 0.171 0.000 1.047 259 V CA 1.971 64.332 62.300 0.102 0.000 1.015 259 V CB -0.582 31.262 31.823 0.035 0.000 0.642 259 V HN 0.440 nan 8.190 nan 0.000 0.446 260 L N -0.505 120.795 121.223 0.127 0.000 2.191 260 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 260 L C 2.477 179.618 176.870 0.452 0.000 1.103 260 L CA 1.039 56.067 54.840 0.314 0.000 0.769 260 L CB -0.658 41.528 42.059 0.213 0.000 0.908 260 L HN 0.385 nan 8.230 nan 0.000 0.438 261 L N -0.093 121.299 121.223 0.282 0.000 1.994 261 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 261 L C 2.390 179.421 176.870 0.269 0.000 1.071 261 L CA 1.826 56.818 54.840 0.252 0.000 0.745 261 L CB -0.688 41.474 42.059 0.172 0.000 0.892 261 L HN -0.071 nan 8.230 nan 0.000 0.431 262 V N -0.371 119.689 119.914 0.243 0.000 2.295 262 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 262 V C 2.393 178.644 176.094 0.263 0.000 1.049 262 V CA 1.959 64.395 62.300 0.226 0.000 1.024 262 V CB -1.117 30.831 31.823 0.208 0.000 0.648 262 V HN 0.521 nan 8.190 nan 0.000 0.447 263 F N 0.795 120.827 119.950 0.136 0.000 2.091 263 F HA -0.213 4.314 4.527 -0.001 0.000 0.299 263 F C 2.050 177.845 175.800 -0.009 0.000 1.103 263 F CA 1.577 59.612 58.000 0.058 0.000 1.228 263 F CB -0.642 38.367 39.000 0.016 0.000 0.984 263 F HN 0.135 nan 8.300 nan 0.000 0.477 264 F N 0.250 120.161 119.950 -0.065 0.000 2.234 264 F HA -0.030 4.497 4.527 -0.001 0.000 0.299 264 F C 2.520 178.242 175.800 -0.130 0.000 1.087 264 F CA 1.141 59.026 58.000 -0.193 0.000 1.340 264 F CB -1.128 37.853 39.000 -0.032 0.000 1.031 264 F HN 0.079 nan 8.300 nan 0.000 0.500 265 A N 0.246 123.178 122.820 0.186 0.000 1.933 265 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 265 A C 2.233 179.907 177.584 0.150 0.000 1.175 265 A CA 1.370 53.567 52.037 0.268 0.000 0.628 265 A CB -0.723 18.445 19.000 0.280 0.000 0.814 265 A HN 0.234 nan 8.150 nan 0.000 0.444 266 I N 0.019 120.609 120.570 0.035 0.000 2.142 266 I HA -0.176 3.994 4.170 -0.001 0.000 0.240 266 I C 2.519 178.551 176.117 -0.142 0.000 1.078 266 I CA 1.315 62.609 61.300 -0.011 0.000 1.343 266 I CB -1.429 36.588 38.000 0.029 0.000 1.046 266 I HN 0.153 nan 8.210 nan 0.000 0.405 267 V N 1.309 121.023 119.914 -0.333 0.000 2.407 267 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 267 V C 2.663 178.586 176.094 -0.285 0.000 1.055 267 V CA 1.957 64.043 62.300 -0.357 0.000 1.049 267 V CB -1.504 29.984 31.823 -0.558 0.000 0.662 267 V HN 0.524 nan 8.190 nan 0.000 0.455 268 G N -0.699 107.891 108.800 -0.350 0.000 2.394 268 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.214 268 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.214 268 G C 1.309 175.729 174.900 -0.802 0.000 1.176 268 G CA 0.840 45.569 45.100 -0.619 0.000 0.786 268 G HN 0.512 nan 8.290 nan 0.000 0.533 269 F N -0.064 119.878 119.950 -0.013 0.000 2.559 269 F HA 0.379 4.906 4.527 -0.001 0.000 0.286 269 F C 1.697 177.466 175.800 -0.050 0.000 1.108 269 F CA 0.102 58.088 58.000 -0.023 0.000 1.436 269 F CB 0.202 39.194 39.000 -0.015 0.000 1.130 269 F HN 0.069 nan 8.300 nan 0.000 0.584 270 M N 0.095 119.722 119.600 0.045 0.000 3.287 270 M HA 0.415 4.895 4.480 -0.001 0.000 0.336 270 M C -2.384 173.900 176.300 -0.026 0.000 1.573 270 M CA -1.285 54.024 55.300 0.016 0.000 0.609 270 M CB 0.838 33.444 32.600 0.010 0.000 1.421 270 M HN -0.267 nan 8.290 nan 0.000 0.476 271 P HA -0.126 nan 4.420 nan 0.000 0.219 271 P C 0.217 177.409 177.300 -0.180 0.000 1.146 271 P CA 1.432 64.306 63.100 -0.377 0.000 0.808 271 P CB 0.051 31.096 31.700 -1.092 0.000 0.779 272 N N -1.880 116.799 118.700 -0.036 0.000 2.230 272 N HA -0.008 4.732 4.740 -0.001 0.000 0.202 272 N C 1.335 176.964 175.510 0.198 0.000 1.119 272 N CA -0.236 52.905 53.050 0.151 0.000 0.851 272 N CB -0.429 38.206 38.487 0.246 0.000 0.990 272 N HN 0.134 nan 8.380 nan 0.000 0.497 273 Y N 1.741 122.068 120.300 0.045 0.000 2.114 273 Y HA -0.004 4.546 4.550 -0.001 0.000 0.284 273 Y C 1.581 177.513 175.900 0.053 0.000 1.143 273 Y CA 1.414 59.538 58.100 0.040 0.000 1.135 273 Y CB -0.322 38.149 38.460 0.018 0.000 0.980 273 Y HN -0.039 nan 8.280 nan 0.000 0.499 274 L N 0.697 121.917 121.223 -0.006 0.000 2.693 274 L HA 0.152 4.492 4.340 -0.001 0.000 0.242 274 L C 0.966 177.891 176.870 0.091 0.000 1.157 274 L CA 0.145 54.956 54.840 -0.049 0.000 0.929 274 L CB -1.138 40.994 42.059 0.122 0.000 1.103 274 L HN 0.269 nan 8.230 nan 0.000 0.430 275 G N -2.291 106.557 108.800 0.079 0.000 2.932 275 G HA2 0.325 4.285 3.960 -0.001 0.000 0.283 275 G HA3 0.325 4.285 3.960 -0.001 0.000 0.283 275 G C -1.517 173.461 174.900 0.129 0.000 1.336 275 G CA -0.350 44.837 45.100 0.145 0.000 1.056 275 G HN 0.030 nan 8.290 nan 0.000 0.522 276 H N 0.342 119.477 119.070 0.108 0.000 2.638 276 H HA 0.368 4.924 4.556 -0.001 0.000 0.317 276 H C -1.718 173.692 175.328 0.136 0.000 1.006 276 H CA -1.919 54.193 56.048 0.107 0.000 1.222 276 H CB 2.337 32.169 29.762 0.118 0.000 1.419 276 H HN 0.079 nan 8.280 nan 0.000 0.489 277 P HA -0.160 nan 4.420 nan 0.000 0.217 277 P C 0.912 178.468 177.300 0.426 0.000 1.148 277 P CA 1.093 64.438 63.100 0.407 0.000 0.834 277 P CB 0.522 32.388 31.700 0.276 0.000 0.783 278 D N -1.562 119.129 120.400 0.485 0.000 2.264 278 D HA -0.106 4.533 4.640 -0.001 0.000 0.208 278 D C 1.406 177.802 176.300 0.160 0.000 0.966 278 D CA 0.824 54.979 54.000 0.258 0.000 0.864 278 D CB -0.739 40.128 40.800 0.112 0.000 0.933 278 D HN 0.109 nan 8.370 nan 0.000 0.499 279 N N -0.365 118.404 118.700 0.114 0.000 2.515 279 N HA -0.101 4.639 4.740 -0.001 0.000 0.191 279 N C 0.133 175.707 175.510 0.107 0.000 1.182 279 N CA 0.175 53.243 53.050 0.030 0.000 0.879 279 N CB -0.136 38.293 38.487 -0.096 0.000 0.984 279 N HN 0.166 nan 8.380 nan 0.000 0.453 280 Y N -0.455 120.018 120.300 0.288 0.000 2.524 280 Y HA 0.393 4.943 4.550 -0.001 0.000 0.266 280 Y C 0.043 176.170 175.900 0.379 0.000 1.180 280 Y CA -0.311 58.007 58.100 0.363 0.000 1.244 280 Y CB 0.273 38.886 38.460 0.255 0.000 1.125 280 Y HN -0.059 nan 8.280 nan 0.000 0.524 281 I N 0.416 121.183 120.570 0.328 0.000 2.433 281 I HA 0.204 4.374 4.170 -0.001 0.000 0.292 281 I C -0.231 175.760 176.117 -0.210 0.000 1.001 281 I CA -0.981 60.361 61.300 0.069 0.000 1.119 281 I CB 1.731 39.775 38.000 0.073 0.000 1.289 281 I HN -0.003 nan 8.210 nan 0.000 0.438 282 E N 4.423 124.277 120.200 -0.576 0.000 2.452 282 E HA 0.212 4.562 4.350 -0.001 0.000 0.261 282 E C 0.145 176.508 176.600 -0.395 0.000 0.987 282 E CA -0.395 55.550 56.400 -0.759 0.000 0.926 282 E CB 0.575 29.869 29.700 -0.677 0.000 0.934 282 E HN 0.675 nan 8.360 nan 0.000 0.452 283 A N 3.891 126.459 122.820 -0.420 0.000 2.567 283 A HA -0.063 4.257 4.320 -0.001 0.000 0.240 283 A C 0.177 177.436 177.584 -0.543 0.000 1.053 283 A CA 0.089 51.784 52.037 -0.570 0.000 0.755 283 A CB -0.001 18.369 19.000 -1.051 0.000 0.978 283 A HN 0.553 nan 8.150 nan 0.000 0.507 284 N N 3.447 121.866 118.700 -0.469 0.000 2.524 284 N HA 0.330 5.070 4.740 -0.001 0.000 0.261 284 N C -2.183 173.092 175.510 -0.392 0.000 0.998 284 N CA -2.135 50.725 53.050 -0.317 0.000 0.915 284 N CB 1.975 40.415 38.487 -0.078 0.000 1.187 284 N HN 0.307 nan 8.380 nan 0.000 0.507 285 P HA 0.027 nan 4.420 nan 0.000 0.242 285 P C 0.561 177.957 177.300 0.160 0.000 1.197 285 P CA 0.541 63.330 63.100 -0.519 0.000 0.765 285 P CB 0.486 31.881 31.700 -0.508 0.000 0.936 286 L N -1.511 119.796 121.223 0.140 0.000 2.808 286 L HA 0.289 4.629 4.340 -0.001 0.000 0.246 286 L C 0.721 177.671 176.870 0.132 0.000 1.153 286 L CA 0.081 55.011 54.840 0.149 0.000 0.956 286 L CB 0.320 42.412 42.059 0.055 0.000 1.270 286 L HN -0.029 nan 8.230 nan 0.000 0.528 287 S N -0.454 115.371 115.700 0.208 0.000 2.548 287 S HA 0.431 4.900 4.470 -0.001 0.000 0.278 287 S C -0.718 173.828 174.600 -0.090 0.000 1.150 287 S CA -0.334 57.874 58.200 0.014 0.000 0.907 287 S CB 1.911 65.114 63.200 0.006 0.000 1.108 287 S HN 0.002 nan 8.310 nan 0.000 0.459 288 T N 5.531 119.794 114.554 -0.486 0.000 2.758 288 T HA 0.532 4.882 4.350 -0.001 0.000 0.285 288 T C -2.711 171.779 174.700 -0.350 0.000 0.981 288 T CA -0.973 60.639 62.100 -0.814 0.000 0.965 288 T CB 1.138 69.300 68.868 -1.175 0.000 0.927 288 T HN 0.468 nan 8.240 nan 0.000 0.448 289 P HA 0.092 nan 4.420 nan 0.000 0.260 289 P C 0.671 177.875 177.300 -0.160 0.000 1.172 289 P CA -0.058 62.983 63.100 -0.099 0.000 0.760 289 P CB 0.379 32.077 31.700 -0.003 0.000 0.773 290 A N 3.782 126.459 122.820 -0.238 0.000 2.032 290 A HA -0.213 4.107 4.320 -0.001 0.000 0.221 290 A C 1.156 178.510 177.584 -0.383 0.000 1.165 290 A CA 1.493 53.311 52.037 -0.365 0.000 0.645 290 A CB -0.857 17.831 19.000 -0.521 0.000 0.807 290 A HN 0.628 nan 8.150 nan 0.000 0.453 291 H N -1.432 117.664 119.070 0.044 0.000 2.487 291 H HA 0.304 4.859 4.556 -0.001 0.000 0.290 291 H C 0.361 175.789 175.328 0.166 0.000 1.081 291 H CA -0.861 55.239 56.048 0.088 0.000 1.116 291 H CB -0.602 29.221 29.762 0.102 0.000 1.560 291 H HN 0.535 nan 8.280 nan 0.000 0.548 292 I N 1.677 122.319 120.570 0.120 0.000 2.993 292 I HA -0.077 4.093 4.170 -0.001 0.000 0.301 292 I C -0.568 175.608 176.117 0.097 0.000 1.229 292 I CA 0.676 62.001 61.300 0.042 0.000 1.435 292 I CB 0.317 38.302 38.000 -0.025 0.000 1.328 292 I HN -0.162 nan 8.210 nan 0.000 0.584 293 V N 6.808 126.756 119.914 0.058 0.000 2.823 293 V HA 0.265 4.385 4.120 -0.001 0.000 0.296 293 V C -2.232 173.782 176.094 -0.134 0.000 1.250 293 V CA -1.039 61.243 62.300 -0.031 0.000 0.939 293 V CB 1.568 33.439 31.823 0.080 0.000 1.062 293 V HN 0.719 nan 8.190 nan 0.000 0.433 294 P HA 0.157 nan 4.420 nan 0.000 0.271 294 P C -0.477 176.628 177.300 -0.324 0.000 1.233 294 P CA -0.221 62.665 63.100 -0.357 0.000 0.795 294 P CB 0.476 31.856 31.700 -0.533 0.000 0.936 295 E N 0.711 120.616 120.200 -0.492 0.000 2.360 295 E HA -0.030 4.319 4.350 -0.001 0.000 0.269 295 E C 1.140 177.236 176.600 -0.842 0.000 1.022 295 E CA -0.168 55.721 56.400 -0.851 0.000 0.887 295 E CB -0.087 28.669 29.700 -1.574 0.000 0.990 295 E HN 0.540 nan 8.360 nan 0.000 0.426 296 W N 4.465 125.430 121.300 -0.558 0.000 2.290 296 W HA -0.372 4.287 4.660 -0.001 0.000 0.311 296 W C 0.984 177.357 176.519 -0.243 0.000 1.238 296 W CA 1.520 58.669 57.345 -0.327 0.000 1.255 296 W CB -1.078 28.269 29.460 -0.190 0.000 1.145 296 W HN 0.763 nan 8.180 nan 0.000 0.506 297 Y N -2.331 117.000 120.300 -1.616 0.000 2.639 297 Y HA 0.051 4.601 4.550 -0.001 0.000 0.297 297 Y C 1.702 177.319 175.900 -0.472 0.000 1.151 297 Y CA 0.330 57.638 58.100 -1.321 0.000 1.335 297 Y CB -1.808 35.487 38.460 -1.942 0.000 0.994 297 Y HN -0.192 nan 8.280 nan 0.000 0.548 298 F N -0.252 119.408 119.950 -0.483 0.000 2.717 298 F HA 0.226 4.753 4.527 -0.001 0.000 0.295 298 F C 1.844 177.571 175.800 -0.123 0.000 1.117 298 F CA -0.907 56.961 58.000 -0.220 0.000 1.361 298 F CB -0.578 38.225 39.000 -0.328 0.000 1.112 298 F HN 0.113 nan 8.300 nan 0.000 0.594 299 L N 1.474 122.691 121.223 -0.009 0.000 1.997 299 L HA -0.221 4.119 4.340 -0.001 0.000 0.216 299 L C -0.012 176.816 176.870 -0.071 0.000 1.074 299 L CA 1.922 56.754 54.840 -0.013 0.000 0.763 299 L CB -2.093 39.936 42.059 -0.051 0.000 0.890 299 L HN 0.022 nan 8.230 nan 0.000 0.434 300 P HA -0.234 nan 4.420 nan 0.000 0.216 300 P C 1.542 178.497 177.300 -0.575 0.000 1.153 300 P CA 1.941 64.678 63.100 -0.603 0.000 0.858 300 P CB -0.170 30.826 31.700 -1.174 0.000 0.789 301 F N -1.823 118.003 119.950 -0.207 0.000 2.325 301 F HA -0.062 4.464 4.527 -0.001 0.000 0.299 301 F C 2.725 178.439 175.800 -0.144 0.000 1.090 301 F CA 0.694 58.567 58.000 -0.212 0.000 1.392 301 F CB -1.483 37.385 39.000 -0.220 0.000 1.053 301 F HN -0.105 nan 8.300 nan 0.000 0.521 302 Y N 0.884 121.135 120.300 -0.082 0.000 2.314 302 Y HA -0.034 4.516 4.550 -0.001 0.000 0.293 302 Y C 2.218 178.047 175.900 -0.118 0.000 1.129 302 Y CA 0.783 58.819 58.100 -0.107 0.000 1.201 302 Y CB -0.579 37.819 38.460 -0.104 0.000 0.999 302 Y HN -0.031 nan 8.280 nan 0.000 0.541 303 A N 0.901 123.600 122.820 -0.202 0.000 1.877 303 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 303 A C 2.291 179.707 177.584 -0.280 0.000 1.186 303 A CA 1.950 53.797 52.037 -0.316 0.000 0.620 303 A CB -1.119 17.741 19.000 -0.233 0.000 0.822 303 A HN 0.565 nan 8.150 nan 0.000 0.443 304 I N -0.581 119.875 120.570 -0.190 0.000 2.286 304 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 304 I C 2.517 178.674 176.117 0.067 0.000 1.115 304 I CA 1.399 62.672 61.300 -0.046 0.000 1.392 304 I CB -0.250 37.760 38.000 0.017 0.000 1.065 304 I HN 0.462 nan 8.210 nan 0.000 0.418 305 L N 1.612 122.827 121.223 -0.013 0.000 2.005 305 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 305 L C 2.640 179.495 176.870 -0.024 0.000 1.072 305 L CA 1.555 56.415 54.840 0.034 0.000 0.744 305 L CB -0.250 41.784 42.059 -0.042 0.000 0.895 305 L HN 0.208 nan 8.230 nan 0.000 0.433 306 R N -0.389 119.963 120.500 -0.247 0.000 2.319 306 R HA 0.198 4.537 4.340 -0.001 0.000 0.204 306 R C 1.564 177.700 176.300 -0.274 0.000 0.954 306 R CA 0.661 56.606 56.100 -0.258 0.000 1.066 306 R CB -0.372 29.685 30.300 -0.405 0.000 0.991 306 R HN 0.316 nan 8.270 nan 0.000 0.486 307 A N 1.059 123.666 122.820 -0.356 0.000 2.016 307 A HA 0.101 4.421 4.320 -0.001 0.000 0.217 307 A C 0.162 177.348 177.584 -0.663 0.000 1.162 307 A CA 0.229 51.935 52.037 -0.551 0.000 0.662 307 A CB -0.160 18.396 19.000 -0.740 0.000 0.812 307 A HN 0.289 nan 8.150 nan 0.000 0.450 308 F N 2.092 121.960 119.950 -0.137 0.000 2.451 308 F HA 0.298 4.824 4.527 -0.001 0.000 0.356 308 F C 1.138 176.833 175.800 -0.175 0.000 1.178 308 F CA -0.223 57.669 58.000 -0.181 0.000 1.210 308 F CB -0.027 38.917 39.000 -0.092 0.000 1.504 308 F HN 0.089 nan 8.300 nan 0.000 0.598 309 T N -1.712 112.788 114.554 -0.089 0.000 2.884 309 T HA 0.607 4.956 4.350 -0.001 0.000 0.277 309 T C 1.442 176.091 174.700 -0.085 0.000 0.976 309 T CA -0.303 61.752 62.100 -0.076 0.000 0.956 309 T CB 1.399 70.209 68.868 -0.098 0.000 1.113 309 T HN 0.356 nan 8.240 nan 0.000 0.554 310 A N 1.022 123.807 122.820 -0.058 0.000 1.902 310 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 310 A C 1.884 179.433 177.584 -0.059 0.000 1.181 310 A CA 1.719 53.726 52.037 -0.050 0.000 0.623 310 A CB -1.084 17.904 19.000 -0.020 0.000 0.818 310 A HN 0.966 nan 8.150 nan 0.000 0.443 311 D N -0.162 120.202 120.400 -0.060 0.000 2.338 311 D HA 0.044 4.683 4.640 -0.001 0.000 0.239 311 D C -0.087 176.171 176.300 -0.070 0.000 1.095 311 D CA 0.076 54.048 54.000 -0.046 0.000 0.888 311 D CB -0.506 40.276 40.800 -0.030 0.000 0.899 311 D HN 0.135 nan 8.370 nan 0.000 0.525 312 V N 3.260 123.094 119.914 -0.134 0.000 2.408 312 V HA 0.005 4.124 4.120 -0.001 0.000 0.267 312 V C 1.562 177.555 176.094 -0.169 0.000 1.047 312 V CA -1.004 61.170 62.300 -0.210 0.000 0.937 312 V CB 0.559 32.212 31.823 -0.284 0.000 0.999 312 V HN 0.317 nan 8.190 nan 0.000 0.472 313 W N 4.745 125.972 121.300 -0.121 0.000 2.321 313 W HA -0.159 4.501 4.660 -0.001 0.000 0.306 313 W C 1.109 177.557 176.519 -0.118 0.000 1.217 313 W CA 1.501 58.785 57.345 -0.102 0.000 1.257 313 W CB -1.049 28.369 29.460 -0.069 0.000 1.145 313 W HN 0.431 nan 8.180 nan 0.000 0.509 314 V N 1.732 121.240 119.914 -0.677 0.000 2.594 314 V HA -0.293 3.826 4.120 -0.001 0.000 0.253 314 V C 2.549 178.386 176.094 -0.427 0.000 1.069 314 V CA 1.824 63.786 62.300 -0.563 0.000 1.082 314 V CB -1.118 30.269 31.823 -0.727 0.000 0.680 314 V HN 0.115 nan 8.190 nan 0.000 0.469 315 V N -0.611 118.970 119.914 -0.555 0.000 2.379 315 V HA -0.260 3.859 4.120 -0.001 0.000 0.245 315 V C 2.440 178.416 176.094 -0.196 0.000 1.044 315 V CA 1.797 63.749 62.300 -0.581 0.000 1.036 315 V CB -0.595 30.907 31.823 -0.536 0.000 0.664 315 V HN 0.501 nan 8.190 nan 0.000 0.453 316 Q N -0.327 119.414 119.800 -0.099 0.000 2.061 316 Q HA -0.188 4.151 4.340 -0.001 0.000 0.204 316 Q C 2.207 178.231 176.000 0.040 0.000 0.984 316 Q CA 2.064 57.868 55.803 0.002 0.000 0.846 316 Q CB -0.260 28.498 28.738 0.034 0.000 0.902 316 Q HN 0.579 nan 8.270 nan 0.000 0.421 317 I N 0.190 120.793 120.570 0.054 0.000 2.076 317 I HA -0.331 3.838 4.170 -0.001 0.000 0.237 317 I C 2.405 178.588 176.117 0.111 0.000 1.059 317 I CA 1.061 62.406 61.300 0.075 0.000 1.317 317 I CB -0.575 37.513 38.000 0.146 0.000 1.037 317 I HN 0.229 nan 8.210 nan 0.000 0.398 318 A N 0.966 123.834 122.820 0.080 0.000 1.927 318 A HA -0.338 3.982 4.320 -0.001 0.000 0.220 318 A C 2.062 179.712 177.584 0.111 0.000 1.185 318 A CA 2.602 54.706 52.037 0.112 0.000 0.639 318 A CB -1.044 18.073 19.000 0.194 0.000 0.820 318 A HN 0.563 nan 8.150 nan 0.000 0.451 319 N N -0.760 117.999 118.700 0.098 0.000 2.043 319 N HA -0.198 4.541 4.740 -0.001 0.000 0.193 319 N C 1.504 177.078 175.510 0.106 0.000 1.037 319 N CA 2.182 55.293 53.050 0.102 0.000 0.851 319 N CB -0.612 37.924 38.487 0.083 0.000 1.027 319 N HN 0.462 nan 8.380 nan 0.000 0.422 320 F N 1.535 121.450 119.950 -0.058 0.000 2.075 320 F HA 0.028 4.555 4.527 -0.001 0.000 0.297 320 F C 2.180 177.816 175.800 -0.273 0.000 1.113 320 F CA 1.137 59.063 58.000 -0.123 0.000 1.218 320 F CB -0.754 38.200 39.000 -0.076 0.000 0.984 320 F HN 0.143 nan 8.300 nan 0.000 0.472 321 I N 0.482 121.177 120.570 0.208 0.000 3.102 321 I HA -0.158 4.012 4.170 -0.001 0.000 0.278 321 I C 0.769 176.748 176.117 -0.231 0.000 1.316 321 I CA 1.633 62.924 61.300 -0.016 0.000 1.425 321 I CB -0.542 37.532 38.000 0.123 0.000 1.073 321 I HN 0.450 nan 8.210 nan 0.000 0.503 322 S N -1.524 114.031 115.700 -0.242 0.000 3.009 322 S HA 0.220 4.690 4.470 -0.001 0.000 0.254 322 S C 0.411 174.991 174.600 -0.033 0.000 1.004 322 S CA -0.551 57.580 58.200 -0.115 0.000 1.119 322 S CB -0.384 62.836 63.200 0.033 0.000 1.075 322 S HN 0.327 nan 8.310 nan 0.000 0.618 323 F N 1.883 121.795 119.950 -0.063 0.000 3.074 323 F HA -0.095 4.432 4.527 -0.001 0.000 0.287 323 F C 1.502 177.288 175.800 -0.023 0.000 0.932 323 F CA 0.820 58.775 58.000 -0.076 0.000 0.995 323 F CB -1.941 37.012 39.000 -0.079 0.000 0.966 323 F HN 0.744 nan 8.300 nan 0.000 0.721 324 G N -0.952 107.909 108.800 0.101 0.000 2.168 324 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.263 324 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.263 324 G C 1.130 176.090 174.900 0.099 0.000 0.977 324 G CA 0.392 45.552 45.100 0.100 0.000 0.659 324 G HN 0.574 nan 8.290 nan 0.000 0.533 325 I N 0.384 121.021 120.570 0.112 0.000 2.141 325 I HA 0.078 4.247 4.170 -0.001 0.000 0.236 325 I C 1.718 177.926 176.117 0.152 0.000 1.071 325 I CA 0.977 62.333 61.300 0.093 0.000 1.345 325 I CB -0.132 37.923 38.000 0.092 0.000 1.066 325 I HN 0.133 nan 8.210 nan 0.000 0.406 326 I N 3.086 123.783 120.570 0.212 0.000 2.352 326 I HA -0.038 4.132 4.170 -0.001 0.000 0.303 326 I C -0.080 176.180 176.117 0.238 0.000 1.194 326 I CA -0.443 61.046 61.300 0.316 0.000 1.518 326 I CB -0.896 37.248 38.000 0.241 0.000 1.489 326 I HN 0.302 nan 8.210 nan 0.000 0.702 327 D N 4.417 124.951 120.400 0.225 0.000 2.478 327 D HA 0.221 4.860 4.640 -0.001 0.000 0.274 327 D C 1.238 177.633 176.300 0.158 0.000 1.234 327 D CA -0.504 53.586 54.000 0.149 0.000 1.069 327 D CB 0.777 41.645 40.800 0.113 0.000 1.113 327 D HN 0.256 nan 8.370 nan 0.000 0.571 328 A N -0.173 122.699 122.820 0.085 0.000 1.865 328 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 328 A C 2.056 179.724 177.584 0.140 0.000 1.191 328 A CA 2.656 54.734 52.037 0.068 0.000 0.623 328 A CB -0.950 18.062 19.000 0.020 0.000 0.826 328 A HN 0.723 nan 8.150 nan 0.000 0.444 329 K N -1.488 118.990 120.400 0.131 0.000 2.000 329 K HA -0.241 4.078 4.320 -0.001 0.000 0.218 329 K C 1.776 178.500 176.600 0.208 0.000 1.053 329 K CA 2.244 58.618 56.287 0.145 0.000 0.946 329 K CB -0.488 32.087 32.500 0.126 0.000 0.723 329 K HN 0.341 nan 8.250 nan 0.000 0.446 330 F N 0.578 120.562 119.950 0.057 0.000 2.293 330 F HA -0.080 4.447 4.527 -0.001 0.000 0.300 330 F C 1.767 177.586 175.800 0.031 0.000 1.086 330 F CA 0.753 58.771 58.000 0.030 0.000 1.375 330 F CB -0.429 38.580 39.000 0.015 0.000 1.045 330 F HN 0.148 nan 8.300 nan 0.000 0.516 331 F N 0.530 120.382 119.950 -0.164 0.000 2.146 331 F HA 0.067 4.594 4.527 -0.001 0.000 0.298 331 F C 2.441 178.037 175.800 -0.340 0.000 1.096 331 F CA 1.662 59.453 58.000 -0.347 0.000 1.275 331 F CB -1.050 37.785 39.000 -0.274 0.000 1.008 331 F HN -0.045 nan 8.300 nan 0.000 0.480 332 G N -0.041 108.861 108.800 0.170 0.000 2.440 332 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 332 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 332 G C 1.803 176.716 174.900 0.021 0.000 1.154 332 G CA 1.239 46.444 45.100 0.174 0.000 0.767 332 G HN 0.324 nan 8.290 nan 0.000 0.552 333 V N 0.918 120.824 119.914 -0.014 0.000 2.255 333 V HA -0.156 3.964 4.120 -0.001 0.000 0.247 333 V C 2.939 179.010 176.094 -0.038 0.000 1.051 333 V CA 1.697 64.005 62.300 0.012 0.000 1.018 333 V CB -0.460 31.414 31.823 0.086 0.000 0.641 333 V HN 0.353 nan 8.190 nan 0.000 0.445 334 L N -0.147 120.870 121.223 -0.344 0.000 2.131 334 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 334 L C 2.632 179.328 176.870 -0.291 0.000 1.092 334 L CA 1.378 55.965 54.840 -0.421 0.000 0.759 334 L CB -0.716 40.855 42.059 -0.814 0.000 0.903 334 L HN 0.363 nan 8.230 nan 0.000 0.435 335 A N -0.330 122.288 122.820 -0.336 0.000 1.873 335 A HA -0.251 4.068 4.320 -0.001 0.000 0.215 335 A C 2.334 180.038 177.584 0.200 0.000 1.186 335 A CA 1.759 53.712 52.037 -0.140 0.000 0.616 335 A CB -0.478 18.424 19.000 -0.163 0.000 0.823 335 A HN 0.379 nan 8.150 nan 0.000 0.442 336 M N -1.570 118.077 119.600 0.078 0.000 2.065 336 M HA -0.149 4.330 4.480 -0.001 0.000 0.259 336 M C 1.856 178.108 176.300 -0.080 0.000 1.071 336 M CA 2.087 57.386 55.300 -0.002 0.000 1.109 336 M CB -0.264 32.221 32.600 -0.191 0.000 1.313 336 M HN 0.371 nan 8.290 nan 0.000 0.408 337 F N -0.056 119.876 119.950 -0.029 0.000 2.293 337 F HA 0.008 4.534 4.527 -0.001 0.000 0.300 337 F C 2.426 178.243 175.800 0.029 0.000 1.086 337 F CA 1.362 59.330 58.000 -0.053 0.000 1.375 337 F CB -1.101 37.834 39.000 -0.108 0.000 1.045 337 F HN 0.285 nan 8.300 nan 0.000 0.516 338 G N -0.461 108.483 108.800 0.239 0.000 2.408 338 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.217 338 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.217 338 G C 1.927 177.075 174.900 0.413 0.000 1.150 338 G CA 0.713 45.990 45.100 0.297 0.000 0.776 338 G HN 0.417 nan 8.290 nan 0.000 0.542 339 A N 0.787 123.830 122.820 0.372 0.000 1.908 339 A HA 0.009 4.329 4.320 -0.001 0.000 0.218 339 A C 2.388 180.187 177.584 0.359 0.000 1.181 339 A CA 1.360 53.494 52.037 0.161 0.000 0.627 339 A CB -0.328 18.628 19.000 -0.074 0.000 0.818 339 A HN 0.394 nan 8.150 nan 0.000 0.445 340 I N -0.969 119.758 120.570 0.261 0.000 2.233 340 I HA -0.181 3.988 4.170 -0.001 0.000 0.243 340 I C 2.446 178.648 176.117 0.143 0.000 1.093 340 I CA 1.231 62.652 61.300 0.201 0.000 1.380 340 I CB -0.339 37.669 38.000 0.015 0.000 1.067 340 I HN 0.432 nan 8.210 nan 0.000 0.413 341 L N 0.503 121.810 121.223 0.140 0.000 2.042 341 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 341 L C 2.401 179.307 176.870 0.060 0.000 1.076 341 L CA 1.693 56.597 54.840 0.107 0.000 0.749 341 L CB -0.519 41.605 42.059 0.109 0.000 0.893 341 L HN -0.024 nan 8.230 nan 0.000 0.432 342 V N -0.138 119.805 119.914 0.047 0.000 2.332 342 V HA -0.376 3.744 4.120 -0.001 0.000 0.248 342 V C 2.652 178.507 176.094 -0.399 0.000 1.055 342 V CA 2.407 64.662 62.300 -0.074 0.000 1.038 342 V CB -0.312 31.516 31.823 0.009 0.000 0.651 342 V HN 0.700 nan 8.190 nan 0.000 0.450 343 M N -0.370 118.903 119.600 -0.545 0.000 2.149 343 M HA -0.169 4.310 4.480 -0.001 0.000 0.261 343 M C 1.990 178.250 176.300 -0.067 0.000 1.064 343 M CA 2.271 57.152 55.300 -0.699 0.000 1.102 343 M CB -0.283 32.174 32.600 -0.238 0.000 1.369 343 M HN 0.343 nan 8.290 nan 0.000 0.408 344 A N 0.037 122.921 122.820 0.107 0.000 2.067 344 A HA -0.047 4.273 4.320 -0.001 0.000 0.219 344 A C 1.860 179.681 177.584 0.396 0.000 1.158 344 A CA 1.083 53.324 52.037 0.340 0.000 0.661 344 A CB -0.749 18.368 19.000 0.195 0.000 0.801 344 A HN 0.604 nan 8.150 nan 0.000 0.452 345 L N -0.950 120.398 121.223 0.208 0.000 2.558 345 L HA 0.015 4.354 4.340 -0.001 0.000 0.225 345 L C 2.205 179.189 176.870 0.190 0.000 1.128 345 L CA 0.123 55.150 54.840 0.310 0.000 0.868 345 L CB -0.109 42.059 42.059 0.182 0.000 1.006 345 L HN 0.266 nan 8.230 nan 0.000 0.454 346 V N 1.923 121.778 119.914 -0.098 0.000 2.428 346 V HA -0.221 3.898 4.120 -0.001 0.000 0.255 346 V C -0.356 175.434 176.094 -0.508 0.000 1.080 346 V CA 2.109 64.214 62.300 -0.325 0.000 1.083 346 V CB -0.628 30.826 31.823 -0.615 0.000 0.665 346 V HN 0.309 nan 8.190 nan 0.000 0.461 347 P HA -0.131 nan 4.420 nan 0.000 0.219 347 P C 1.241 178.132 177.300 -0.681 0.000 1.146 347 P CA 1.756 64.412 63.100 -0.740 0.000 0.808 347 P CB -0.130 30.835 31.700 -1.225 0.000 0.779 348 W N -1.768 119.491 121.300 -0.068 0.000 2.762 348 W HA 0.258 4.918 4.660 -0.001 0.000 0.265 348 W C 1.700 178.195 176.519 -0.039 0.000 1.263 348 W CA 0.253 57.578 57.345 -0.034 0.000 1.411 348 W CB -0.577 28.872 29.460 -0.018 0.000 1.065 348 W HN -0.064 nan 8.180 nan 0.000 0.609 349 L N -0.045 121.247 121.223 0.115 0.000 2.240 349 L HA -0.006 4.333 4.340 -0.001 0.000 0.211 349 L C 0.886 177.745 176.870 -0.019 0.000 1.106 349 L CA 0.856 55.728 54.840 0.053 0.000 0.793 349 L CB -0.550 41.546 42.059 0.061 0.000 0.927 349 L HN -0.274 nan 8.230 nan 0.000 0.446 350 D N 0.741 121.108 120.400 -0.055 0.000 2.336 350 D HA 0.009 4.648 4.640 -0.001 0.000 0.249 350 D C 1.002 177.272 176.300 -0.050 0.000 1.213 350 D CA 0.113 54.080 54.000 -0.056 0.000 0.870 350 D CB 1.421 42.222 40.800 0.001 0.000 1.076 350 D HN 0.100 nan 8.370 nan 0.000 0.483 351 T N 0.070 114.595 114.554 -0.049 0.000 3.060 351 T HA 0.057 4.407 4.350 -0.001 0.000 0.249 351 T C 1.080 175.749 174.700 -0.053 0.000 1.079 351 T CA -0.424 61.652 62.100 -0.040 0.000 1.013 351 T CB 0.138 68.991 68.868 -0.025 0.000 0.975 351 T HN 0.197 nan 8.240 nan 0.000 0.518 352 S N 3.193 118.849 115.700 -0.073 0.000 2.562 352 S HA 0.243 4.713 4.470 -0.001 0.000 0.281 352 S C -1.209 173.331 174.600 -0.100 0.000 1.333 352 S CA -1.243 56.904 58.200 -0.087 0.000 1.052 352 S CB 1.016 64.140 63.200 -0.127 0.000 0.884 352 S HN 0.215 nan 8.310 nan 0.000 0.506 353 P HA 0.121 nan 4.420 nan 0.000 0.251 353 P C -0.177 177.066 177.300 -0.094 0.000 1.223 353 P CA 0.091 63.143 63.100 -0.080 0.000 0.796 353 P CB 0.048 31.716 31.700 -0.054 0.000 1.068 354 V N 2.084 121.933 119.914 -0.108 0.000 2.508 354 V HA 0.134 4.253 4.120 -0.001 0.000 0.281 354 V C 2.185 178.175 176.094 -0.173 0.000 1.041 354 V CA 0.034 62.270 62.300 -0.105 0.000 1.016 354 V CB 0.799 32.569 31.823 -0.087 0.000 0.984 354 V HN -0.017 nan 8.190 nan 0.000 0.478 355 R N 3.680 124.100 120.500 -0.134 0.000 2.060 355 R HA -0.035 4.304 4.340 -0.001 0.000 0.225 355 R C 1.424 177.570 176.300 -0.257 0.000 1.155 355 R CA 1.427 57.412 56.100 -0.191 0.000 0.930 355 R CB -0.208 30.027 30.300 -0.107 0.000 0.829 355 R HN 0.693 nan 8.270 nan 0.000 0.433 356 S N -0.536 115.089 115.700 -0.125 0.000 2.510 356 S HA 0.172 4.642 4.470 -0.001 0.000 0.279 356 S C 1.038 175.359 174.600 -0.465 0.000 1.284 356 S CA -0.197 57.880 58.200 -0.206 0.000 1.059 356 S CB 1.349 64.534 63.200 -0.025 0.000 0.901 356 S HN 0.513 nan 8.310 nan 0.000 0.491 357 G N 4.236 112.554 108.800 -0.802 0.000 2.708 357 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.210 357 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.210 357 G C 1.330 175.802 174.900 -0.714 0.000 1.141 357 G CA 0.273 44.800 45.100 -0.954 0.000 0.788 357 G HN 0.805 nan 8.290 nan 0.000 0.531 358 R N -0.494 119.597 120.500 -0.680 0.000 2.120 358 R HA -0.083 4.256 4.340 -0.001 0.000 0.234 358 R C 0.750 176.754 176.300 -0.493 0.000 1.123 358 R CA 0.980 56.779 56.100 -0.502 0.000 0.975 358 R CB -0.189 29.697 30.300 -0.690 0.000 0.866 358 R HN 0.431 nan 8.270 nan 0.000 0.446 359 Y N 0.143 120.417 120.300 -0.044 0.000 2.683 359 Y HA 0.361 4.911 4.550 -0.001 0.000 0.297 359 Y C -0.322 175.556 175.900 -0.037 0.000 1.147 359 Y CA -0.328 57.760 58.100 -0.021 0.000 1.274 359 Y CB 0.329 38.773 38.460 -0.027 0.000 1.143 359 Y HN -0.190 nan 8.280 nan 0.000 0.527 360 R N 0.385 120.896 120.500 0.018 0.000 2.407 360 R HA 0.261 4.600 4.340 -0.001 0.000 0.298 360 R C -2.359 174.026 176.300 0.142 0.000 1.166 360 R CA -1.569 54.564 56.100 0.056 0.000 1.006 360 R CB 1.202 31.475 30.300 -0.045 0.000 1.145 360 R HN 0.038 nan 8.270 nan 0.000 0.538 361 P HA -0.152 nan 4.420 nan 0.000 0.214 361 P C 1.094 178.476 177.300 0.136 0.000 1.163 361 P CA 1.470 64.646 63.100 0.127 0.000 0.883 361 P CB 0.257 32.017 31.700 0.101 0.000 0.788 362 M N -2.787 116.908 119.600 0.158 0.000 2.132 362 M HA -0.106 4.374 4.480 -0.001 0.000 0.263 362 M C 2.035 178.475 176.300 0.234 0.000 1.065 362 M CA 1.490 56.895 55.300 0.176 0.000 1.122 362 M CB -0.743 32.002 32.600 0.242 0.000 1.365 362 M HN -0.153 nan 8.290 nan 0.000 0.411 363 F N 1.606 121.642 119.950 0.144 0.000 2.063 363 F HA -0.358 4.168 4.527 -0.001 0.000 0.298 363 F C 2.125 178.030 175.800 0.174 0.000 1.105 363 F CA 2.013 60.106 58.000 0.155 0.000 1.215 363 F CB -0.349 38.650 39.000 -0.002 0.000 0.972 363 F HN -0.021 nan 8.300 nan 0.000 0.483 364 K N 0.011 120.485 120.400 0.123 0.000 2.034 364 K HA -0.249 4.071 4.320 -0.001 0.000 0.214 364 K C 2.026 178.720 176.600 0.157 0.000 1.051 364 K CA 1.995 58.372 56.287 0.151 0.000 0.931 364 K CB -0.536 32.160 32.500 0.326 0.000 0.715 364 K HN 0.292 nan 8.250 nan 0.000 0.446 365 I N 0.438 121.021 120.570 0.023 0.000 2.118 365 I HA -0.288 3.882 4.170 -0.001 0.000 0.241 365 I C 2.310 178.313 176.117 -0.189 0.000 1.070 365 I CA 1.802 63.032 61.300 -0.116 0.000 1.327 365 I CB -1.180 36.592 38.000 -0.379 0.000 1.034 365 I HN 0.152 nan 8.210 nan 0.000 0.405 366 Y N -0.182 120.167 120.300 0.082 0.000 2.242 366 Y HA -0.245 4.305 4.550 -0.001 0.000 0.291 366 Y C 2.485 178.408 175.900 0.038 0.000 1.137 366 Y CA 1.129 59.324 58.100 0.157 0.000 1.181 366 Y CB -1.149 37.410 38.460 0.166 0.000 0.989 366 Y HN 0.076 nan 8.280 nan 0.000 0.527 367 F N -0.951 118.856 119.950 -0.239 0.000 2.075 367 F HA -0.250 4.276 4.527 -0.001 0.000 0.297 367 F C 1.760 177.309 175.800 -0.418 0.000 1.113 367 F CA 1.560 59.259 58.000 -0.501 0.000 1.218 367 F CB -0.716 37.816 39.000 -0.781 0.000 0.984 367 F HN 0.018 nan 8.300 nan 0.000 0.472 368 W N 0.477 121.785 121.300 0.013 0.000 2.392 368 W HA -0.121 4.538 4.660 -0.001 0.000 0.279 368 W C 2.261 178.660 176.519 -0.200 0.000 1.225 368 W CA 0.820 58.114 57.345 -0.085 0.000 1.233 368 W CB -0.490 28.993 29.460 0.038 0.000 1.122 368 W HN 0.063 nan 8.180 nan 0.000 0.561 369 L N -0.669 120.539 121.223 -0.026 0.000 2.093 369 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 369 L C 2.382 179.146 176.870 -0.176 0.000 1.085 369 L CA 0.648 55.385 54.840 -0.170 0.000 0.755 369 L CB -0.834 41.037 42.059 -0.314 0.000 0.904 369 L HN 0.034 nan 8.230 nan 0.000 0.435 370 L N 0.049 121.173 121.223 -0.165 0.000 1.994 370 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 370 L C 2.652 179.458 176.870 -0.107 0.000 1.071 370 L CA 2.121 56.850 54.840 -0.184 0.000 0.745 370 L CB -0.773 40.785 42.059 -0.835 0.000 0.892 370 L HN 0.163 nan 8.230 nan 0.000 0.431 371 A N -0.545 122.034 122.820 -0.401 0.000 1.883 371 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 371 A C 2.447 179.941 177.584 -0.149 0.000 1.186 371 A CA 2.146 53.889 52.037 -0.491 0.000 0.624 371 A CB -1.289 17.364 19.000 -0.578 0.000 0.822 371 A HN 0.590 nan 8.150 nan 0.000 0.444 372 A N -0.363 122.422 122.820 -0.059 0.000 1.933 372 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 372 A C 1.863 179.450 177.584 0.004 0.000 1.175 372 A CA 2.186 54.209 52.037 -0.023 0.000 0.628 372 A CB -0.686 18.292 19.000 -0.038 0.000 0.814 372 A HN 0.522 nan 8.150 nan 0.000 0.444 373 D N -1.369 119.053 120.400 0.037 0.000 2.117 373 D HA -0.163 4.476 4.640 -0.001 0.000 0.197 373 D C 1.604 177.998 176.300 0.158 0.000 0.987 373 D CA 1.281 55.357 54.000 0.126 0.000 0.829 373 D CB -0.293 40.674 40.800 0.279 0.000 0.961 373 D HN 0.361 nan 8.370 nan 0.000 0.460 374 F N 0.349 120.337 119.950 0.063 0.000 2.102 374 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 374 F C 2.186 177.943 175.800 -0.071 0.000 1.105 374 F CA 1.108 59.103 58.000 -0.009 0.000 1.239 374 F CB -0.398 38.623 39.000 0.036 0.000 0.991 374 F HN -0.120 nan 8.300 nan 0.000 0.474 375 V N 0.737 120.671 119.914 0.033 0.000 2.261 375 V HA -0.323 3.797 4.120 -0.001 0.000 0.246 375 V C 2.443 178.532 176.094 -0.008 0.000 1.047 375 V CA 2.190 64.480 62.300 -0.016 0.000 1.015 375 V CB -0.700 31.128 31.823 0.008 0.000 0.642 375 V HN 0.345 nan 8.190 nan 0.000 0.446 376 I N -0.454 120.130 120.570 0.022 0.000 2.163 376 I HA -0.301 3.868 4.170 -0.001 0.000 0.243 376 I C 2.395 178.587 176.117 0.124 0.000 1.085 376 I CA 1.703 63.075 61.300 0.118 0.000 1.347 376 I CB -0.370 37.682 38.000 0.085 0.000 1.044 376 I HN 0.257 nan 8.210 nan 0.000 0.408 377 L N -0.064 121.128 121.223 -0.053 0.000 2.042 377 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 377 L C 2.629 179.370 176.870 -0.215 0.000 1.076 377 L CA 1.660 56.396 54.840 -0.173 0.000 0.749 377 L CB -0.763 41.089 42.059 -0.345 0.000 0.893 377 L HN 0.271 nan 8.230 nan 0.000 0.432 378 T N -1.601 112.787 114.554 -0.276 0.000 2.746 378 T HA -0.259 4.091 4.350 -0.001 0.000 0.267 378 T C 1.302 175.973 174.700 -0.049 0.000 1.039 378 T CA 1.571 63.549 62.100 -0.203 0.000 1.142 378 T CB -0.386 68.368 68.868 -0.190 0.000 0.866 378 T HN 0.532 nan 8.240 nan 0.000 0.444 379 W N 2.269 123.486 121.300 -0.138 0.000 2.381 379 W HA -0.150 4.510 4.660 -0.001 0.000 0.301 379 W C 1.986 178.437 176.519 -0.113 0.000 1.205 379 W CA 0.867 58.150 57.345 -0.103 0.000 1.285 379 W CB -0.488 28.922 29.460 -0.082 0.000 1.133 379 W HN 0.070 nan 8.180 nan 0.000 0.521 380 V N 0.967 120.677 119.914 -0.339 0.000 2.515 380 V HA -0.093 4.027 4.120 -0.001 0.000 0.250 380 V C 2.408 178.237 176.094 -0.440 0.000 1.058 380 V CA 1.782 63.732 62.300 -0.584 0.000 1.064 380 V CB -2.059 29.631 31.823 -0.222 0.000 0.675 380 V HN 0.362 nan 8.190 nan 0.000 0.461 381 G N 0.333 108.987 108.800 -0.242 0.000 2.475 381 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 381 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 381 G C 1.508 176.384 174.900 -0.041 0.000 1.125 381 G CA 1.158 46.234 45.100 -0.040 0.000 0.755 381 G HN 0.749 nan 8.290 nan 0.000 0.565 382 A N -1.116 121.553 122.820 -0.252 0.000 2.238 382 A HA 0.329 4.649 4.320 -0.001 0.000 0.210 382 A C 1.369 178.719 177.584 -0.391 0.000 1.179 382 A CA 0.268 52.148 52.037 -0.261 0.000 0.827 382 A CB 0.095 18.941 19.000 -0.257 0.000 0.856 382 A HN 0.311 nan 8.150 nan 0.000 0.488 383 Q N 0.463 119.886 119.800 -0.627 0.000 2.249 383 Q HA 0.326 4.666 4.340 -0.001 0.000 0.226 383 Q C -0.096 175.584 176.000 -0.534 0.000 0.983 383 Q CA -0.130 55.156 55.803 -0.861 0.000 0.930 383 Q CB 0.321 28.048 28.738 -1.686 0.000 1.193 383 Q HN 0.591 nan 8.270 nan 0.000 0.508 384 Q N -0.162 119.364 119.800 -0.457 0.000 2.526 384 Q HA 0.118 4.458 4.340 -0.001 0.000 0.207 384 Q C 0.878 176.866 176.000 -0.020 0.000 1.078 384 Q CA 0.334 56.064 55.803 -0.122 0.000 1.041 384 Q CB 0.357 29.107 28.738 0.020 0.000 1.228 384 Q HN 0.711 nan 8.270 nan 0.000 0.603 385 T N -3.538 111.032 114.554 0.026 0.000 3.107 385 T HA -0.000 4.349 4.350 -0.001 0.000 0.249 385 T C 0.915 175.668 174.700 0.088 0.000 1.096 385 T CA 0.203 62.318 62.100 0.025 0.000 1.012 385 T CB -0.408 68.445 68.868 -0.026 0.000 0.977 385 T HN 0.717 nan 8.240 nan 0.000 0.527 386 T N 0.533 115.181 114.554 0.156 0.000 2.726 386 T HA 0.414 4.764 4.350 -0.001 0.000 0.294 386 T C -0.035 174.747 174.700 0.138 0.000 1.013 386 T CA -0.953 61.242 62.100 0.159 0.000 0.996 386 T CB 0.162 69.130 68.868 0.167 0.000 1.016 386 T HN 0.222 nan 8.240 nan 0.000 0.529 387 F N 3.024 122.986 119.950 0.020 0.000 2.518 387 F HA 0.383 4.909 4.527 -0.001 0.000 0.359 387 F C -1.373 174.286 175.800 -0.235 0.000 1.118 387 F CA -2.126 55.866 58.000 -0.013 0.000 1.287 387 F CB 0.792 39.821 39.000 0.048 0.000 1.132 387 F HN 0.408 nan 8.300 nan 0.000 0.587 388 P HA 0.029 nan 4.420 nan 0.000 0.266 388 P C 0.376 177.313 177.300 -0.606 0.000 1.381 388 P CA 0.422 62.587 63.100 -1.557 0.000 0.940 388 P CB -0.127 30.520 31.700 -1.754 0.000 1.435 389 Y N 2.227 122.408 120.300 -0.197 0.000 2.293 389 Y HA -0.184 4.366 4.550 -0.001 0.000 0.291 389 Y C 2.169 178.002 175.900 -0.111 0.000 1.137 389 Y CA 1.598 59.615 58.100 -0.138 0.000 1.202 389 Y CB -1.427 36.921 38.460 -0.187 0.000 0.990 389 Y HN 0.113 nan 8.280 nan 0.000 0.537 390 D N -1.662 118.746 120.400 0.015 0.000 2.144 390 D HA -0.239 4.400 4.640 -0.001 0.000 0.199 390 D C 1.631 177.835 176.300 -0.159 0.000 0.984 390 D CA 1.273 55.215 54.000 -0.096 0.000 0.834 390 D CB -1.073 39.659 40.800 -0.113 0.000 0.955 390 D HN 0.376 nan 8.370 nan 0.000 0.465 391 W N 0.559 121.811 121.300 -0.080 0.000 2.409 391 W HA 0.233 4.892 4.660 -0.001 0.000 0.299 391 W C 2.410 178.902 176.519 -0.045 0.000 1.203 391 W CA 0.216 57.533 57.345 -0.046 0.000 1.298 391 W CB -0.270 29.181 29.460 -0.016 0.000 1.127 391 W HN -0.100 nan 8.180 nan 0.000 0.528 392 I N 0.308 120.980 120.570 0.171 0.000 2.179 392 I HA -0.367 3.803 4.170 -0.001 0.000 0.242 392 I C 2.661 178.827 176.117 0.083 0.000 1.088 392 I CA 1.861 63.247 61.300 0.144 0.000 1.357 392 I CB -0.924 37.193 38.000 0.195 0.000 1.051 392 I HN -0.048 nan 8.210 nan 0.000 0.409 393 S N 1.101 116.803 115.700 0.004 0.000 2.382 393 S HA -0.181 4.288 4.470 -0.001 0.000 0.228 393 S C 2.043 176.567 174.600 -0.127 0.000 1.027 393 S CA 1.029 59.177 58.200 -0.086 0.000 0.991 393 S CB -0.898 62.196 63.200 -0.178 0.000 0.823 393 S HN 0.399 nan 8.310 nan 0.000 0.469 394 L N 0.788 121.909 121.223 -0.169 0.000 2.027 394 L HA 0.003 4.342 4.340 -0.001 0.000 0.206 394 L C 2.647 179.511 176.870 -0.010 0.000 1.074 394 L CA 1.463 56.172 54.840 -0.218 0.000 0.745 394 L CB -0.447 41.416 42.059 -0.327 0.000 0.898 394 L HN 0.339 nan 8.230 nan 0.000 0.433 395 I N -0.509 120.117 120.570 0.094 0.000 2.226 395 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 395 I C 2.772 179.015 176.117 0.211 0.000 1.100 395 I CA 1.159 62.568 61.300 0.182 0.000 1.374 395 I CB -0.615 37.509 38.000 0.205 0.000 1.057 395 I HN 0.236 nan 8.210 nan 0.000 0.413 396 A N 0.683 123.602 122.820 0.166 0.000 1.883 396 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 396 A C 2.523 180.267 177.584 0.266 0.000 1.186 396 A CA 2.404 54.561 52.037 0.200 0.000 0.624 396 A CB -0.844 18.223 19.000 0.111 0.000 0.822 396 A HN 0.424 nan 8.150 nan 0.000 0.444 397 S N 0.203 116.019 115.700 0.192 0.000 2.370 397 S HA -0.078 4.392 4.470 -0.001 0.000 0.226 397 S C 2.310 177.222 174.600 0.520 0.000 1.033 397 S CA 1.293 59.681 58.200 0.315 0.000 1.011 397 S CB -0.629 62.729 63.200 0.263 0.000 0.852 397 S HN 0.838 nan 8.310 nan 0.000 0.457 398 A N 0.858 123.919 122.820 0.402 0.000 1.883 398 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 398 A C 2.000 179.808 177.584 0.373 0.000 1.186 398 A CA 1.819 54.089 52.037 0.388 0.000 0.624 398 A CB -1.101 18.061 19.000 0.271 0.000 0.822 398 A HN 0.564 nan 8.150 nan 0.000 0.444 399 Y N -1.057 119.411 120.300 0.279 0.000 2.224 399 Y HA -0.234 4.316 4.550 -0.001 0.000 0.289 399 Y C 2.266 178.323 175.900 0.262 0.000 1.146 399 Y CA 1.559 59.800 58.100 0.236 0.000 1.182 399 Y CB -0.332 38.242 38.460 0.190 0.000 0.983 399 Y HN 0.574 nan 8.280 nan 0.000 0.524 400 W N 0.180 121.530 121.300 0.083 0.000 2.333 400 W HA -0.311 4.349 4.660 -0.001 0.000 0.316 400 W C 1.529 178.033 176.519 -0.026 0.000 1.215 400 W CA 2.222 59.554 57.345 -0.021 0.000 1.278 400 W CB -0.985 28.432 29.460 -0.071 0.000 1.154 400 W HN 0.164 nan 8.180 nan 0.000 0.486 401 F N 1.016 121.157 119.950 0.318 0.000 2.234 401 F HA -0.070 4.456 4.527 -0.001 0.000 0.299 401 F C 2.725 178.543 175.800 0.029 0.000 1.087 401 F CA 1.765 59.892 58.000 0.211 0.000 1.340 401 F CB -1.313 37.815 39.000 0.214 0.000 1.031 401 F HN -0.109 nan 8.300 nan 0.000 0.500 402 A N -0.678 122.203 122.820 0.102 0.000 1.933 402 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 402 A C 2.048 179.468 177.584 -0.272 0.000 1.175 402 A CA 1.576 53.566 52.037 -0.078 0.000 0.628 402 A CB -1.360 17.571 19.000 -0.115 0.000 0.814 402 A HN 0.501 nan 8.150 nan 0.000 0.444 403 Y N -0.746 119.183 120.300 -0.618 0.000 2.114 403 Y HA -0.188 4.361 4.550 -0.001 0.000 0.284 403 Y C 1.902 177.412 175.900 -0.649 0.000 1.143 403 Y CA 2.170 59.802 58.100 -0.780 0.000 1.135 403 Y CB -0.337 37.462 38.460 -1.102 0.000 0.980 403 Y HN 0.275 nan 8.280 nan 0.000 0.499 404 F N -0.650 119.148 119.950 -0.254 0.000 2.219 404 F HA -0.064 4.463 4.527 -0.001 0.000 0.294 404 F C 2.068 177.766 175.800 -0.170 0.000 1.086 404 F CA 1.075 58.931 58.000 -0.240 0.000 1.330 404 F CB -0.613 38.282 39.000 -0.174 0.000 1.047 404 F HN -0.025 nan 8.300 nan 0.000 0.495 405 L N -1.208 120.068 121.223 0.090 0.000 2.095 405 L HA -0.069 4.271 4.340 -0.001 0.000 0.204 405 L C 1.971 178.826 176.870 -0.025 0.000 1.080 405 L CA 0.631 55.508 54.840 0.060 0.000 0.759 405 L CB -0.554 41.579 42.059 0.123 0.000 0.914 405 L HN -0.027 nan 8.230 nan 0.000 0.439 406 V N -0.677 119.187 119.914 -0.083 0.000 2.602 406 V HA -0.019 4.101 4.120 -0.001 0.000 0.235 406 V C 2.162 178.135 176.094 -0.200 0.000 1.087 406 V CA 0.493 62.727 62.300 -0.111 0.000 1.117 406 V CB 0.099 31.874 31.823 -0.081 0.000 0.820 406 V HN 0.148 nan 8.190 nan 0.000 0.490 407 I N 0.411 120.787 120.570 -0.323 0.000 2.091 407 I HA -0.303 3.866 4.170 -0.001 0.000 0.239 407 I C 2.457 178.325 176.117 -0.415 0.000 1.061 407 I CA 1.918 62.940 61.300 -0.463 0.000 1.317 407 I CB -0.478 37.093 38.000 -0.715 0.000 1.031 407 I HN 0.245 nan 8.210 nan 0.000 0.401 408 L N 0.198 121.125 121.223 -0.493 0.000 2.042 408 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 408 L C -0.165 176.597 176.870 -0.181 0.000 1.076 408 L CA 1.717 56.345 54.840 -0.353 0.000 0.749 408 L CB -1.942 39.860 42.059 -0.428 0.000 0.893 408 L HN 0.190 nan 8.230 nan 0.000 0.432 409 P HA -0.151 nan 4.420 nan 0.000 0.216 409 P C 1.815 179.071 177.300 -0.073 0.000 1.153 409 P CA 1.445 64.496 63.100 -0.082 0.000 0.848 409 P CB 0.104 31.770 31.700 -0.057 0.000 0.787 410 I N -1.442 119.071 120.570 -0.095 0.000 2.233 410 I HA -0.189 3.980 4.170 -0.001 0.000 0.243 410 I C 2.167 178.250 176.117 -0.056 0.000 1.093 410 I CA 1.152 62.409 61.300 -0.072 0.000 1.380 410 I CB -0.648 37.300 38.000 -0.085 0.000 1.067 410 I HN -0.132 nan 8.210 nan 0.000 0.413 411 L N 0.711 121.890 121.223 -0.074 0.000 2.261 411 L HA -0.178 4.162 4.340 -0.001 0.000 0.216 411 L C 2.583 179.448 176.870 -0.008 0.000 1.114 411 L CA 1.257 56.088 54.840 -0.016 0.000 0.777 411 L CB -1.010 41.061 42.059 0.020 0.000 0.910 411 L HN 0.348 nan 8.230 nan 0.000 0.440 412 G N -0.555 108.227 108.800 -0.031 0.000 2.475 412 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.220 412 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.220 412 G C 1.608 176.498 174.900 -0.017 0.000 1.125 412 G CA 1.002 46.084 45.100 -0.030 0.000 0.755 412 G HN 0.515 nan 8.290 nan 0.000 0.565 413 A N 0.320 123.133 122.820 -0.012 0.000 1.919 413 A HA 0.366 4.685 4.320 -0.001 0.000 0.211 413 A C 2.293 179.881 177.584 0.006 0.000 1.310 413 A CA 0.585 52.620 52.037 -0.004 0.000 0.651 413 A CB -0.236 18.762 19.000 -0.004 0.000 0.996 413 A HN 0.226 nan 8.150 nan 0.000 0.479 414 I N 0.635 121.211 120.570 0.010 0.000 2.074 414 I HA -0.269 3.901 4.170 -0.001 0.000 0.238 414 I C 1.418 177.555 176.117 0.034 0.000 1.037 414 I CA 1.354 62.668 61.300 0.024 0.000 1.301 414 I CB -0.629 37.390 38.000 0.032 0.000 1.016 414 I HN 0.504 nan 8.210 nan 0.000 0.400 415 E N 2.722 122.949 120.200 0.044 0.000 2.653 415 E HA -0.148 4.201 4.350 -0.001 0.000 0.264 415 E C -0.621 176.002 176.600 0.039 0.000 0.949 415 E CA 0.409 56.842 56.400 0.056 0.000 0.953 415 E CB 0.440 30.180 29.700 0.066 0.000 0.925 415 E HN 0.050 nan 8.360 nan 0.000 0.475 416 K N 6.463 126.891 120.400 0.047 0.000 2.464 416 K HA 0.341 4.661 4.320 -0.001 0.000 0.252 416 K C -2.278 174.348 176.600 0.043 0.000 1.000 416 K CA -1.937 54.371 56.287 0.036 0.000 0.951 416 K CB 1.317 33.838 32.500 0.035 0.000 1.183 416 K HN 0.473 nan 8.250 nan 0.000 0.445 417 P HA 0.231 nan 4.420 nan 0.000 0.282 417 P C 0.083 177.409 177.300 0.044 0.000 1.249 417 P CA -0.530 62.596 63.100 0.043 0.000 0.806 417 P CB 1.111 32.825 31.700 0.023 0.000 0.984 418 V N 1.600 121.559 119.914 0.077 0.000 3.133 418 V HA 0.353 4.473 4.120 -0.001 0.000 0.305 418 V C 0.942 177.033 176.094 -0.005 0.000 1.084 418 V CA -0.393 61.945 62.300 0.063 0.000 1.089 418 V CB 0.793 32.698 31.823 0.136 0.000 1.073 418 V HN 0.804 nan 8.190 nan 0.000 0.477 419 A N 4.457 127.236 122.820 -0.068 0.000 2.328 419 A HA 0.685 5.004 4.320 -0.001 0.000 0.284 419 A C -2.018 175.333 177.584 -0.388 0.000 1.160 419 A CA -1.178 50.762 52.037 -0.161 0.000 0.818 419 A CB 0.092 19.027 19.000 -0.108 0.000 1.087 419 A HN 0.687 nan 8.150 nan 0.000 0.504 420 P HA 0.477 nan 4.420 nan 0.000 0.285 420 P C -2.786 174.240 177.300 -0.457 0.000 1.269 420 P CA -1.702 60.801 63.100 -0.995 0.000 0.844 420 P CB 0.087 31.340 31.700 -0.746 0.000 1.094 421 P HA -0.001 nan 4.420 nan 0.000 0.267 421 P C 0.781 178.024 177.300 -0.095 0.000 1.201 421 P CA 0.208 63.233 63.100 -0.125 0.000 0.775 421 P CB 0.153 31.838 31.700 -0.024 0.000 0.854 422 A N 1.738 124.523 122.820 -0.058 0.000 1.929 422 A HA 0.062 4.382 4.320 -0.001 0.000 0.216 422 A C 0.865 178.435 177.584 -0.024 0.000 1.176 422 A CA 1.923 53.935 52.037 -0.042 0.000 0.628 422 A CB -0.752 18.230 19.000 -0.030 0.000 0.816 422 A HN 0.663 nan 8.150 nan 0.000 0.444 423 T N -4.893 109.655 114.554 -0.009 0.000 2.868 423 T HA 0.563 4.912 4.350 -0.001 0.000 0.306 423 T C 0.680 175.393 174.700 0.021 0.000 1.224 423 T CA -0.342 61.760 62.100 0.004 0.000 1.012 423 T CB 0.769 69.641 68.868 0.007 0.000 1.221 423 T HN -0.001 nan 8.240 nan 0.000 0.499 424 I N 0.713 121.294 120.570 0.019 0.000 2.226 424 I HA -0.152 4.017 4.170 -0.001 0.000 0.245 424 I C 2.801 178.961 176.117 0.071 0.000 1.100 424 I CA 1.890 63.206 61.300 0.027 0.000 1.374 424 I CB -0.333 37.657 38.000 -0.017 0.000 1.057 424 I HN 0.955 nan 8.210 nan 0.000 0.413 425 E N 1.640 121.878 120.200 0.063 0.000 2.049 425 E HA -0.350 3.999 4.350 -0.001 0.000 0.198 425 E C 2.115 178.786 176.600 0.119 0.000 1.007 425 E CA 2.080 58.545 56.400 0.109 0.000 0.809 425 E CB -0.234 29.505 29.700 0.064 0.000 0.749 425 E HN 0.519 nan 8.360 nan 0.000 0.450 426 E N 0.140 120.379 120.200 0.066 0.000 2.097 426 E HA -0.280 4.069 4.350 -0.001 0.000 0.196 426 E C 1.840 178.476 176.600 0.060 0.000 1.000 426 E CA 1.765 58.192 56.400 0.045 0.000 0.804 426 E CB -0.176 29.537 29.700 0.022 0.000 0.740 426 E HN 0.350 nan 8.360 nan 0.000 0.454 427 D N -0.604 119.848 120.400 0.088 0.000 2.103 427 D HA -0.180 4.460 4.640 -0.001 0.000 0.199 427 D C 1.772 178.163 176.300 0.151 0.000 0.978 427 D CA 0.879 54.945 54.000 0.111 0.000 0.829 427 D CB -0.348 40.528 40.800 0.125 0.000 0.981 427 D HN 0.220 nan 8.370 nan 0.000 0.464 428 F N 1.549 121.498 119.950 -0.003 0.000 2.091 428 F HA -0.185 4.341 4.527 -0.001 0.000 0.299 428 F C 1.971 177.766 175.800 -0.008 0.000 1.103 428 F CA 1.561 59.553 58.000 -0.013 0.000 1.228 428 F CB -0.727 38.253 39.000 -0.033 0.000 0.984 428 F HN -0.004 nan 8.300 nan 0.000 0.477 429 N N 0.824 119.454 118.700 -0.117 0.000 2.039 429 N HA -0.095 4.645 4.740 -0.001 0.000 0.193 429 N C 1.218 176.639 175.510 -0.149 0.000 1.044 429 N CA 1.083 53.998 53.050 -0.225 0.000 0.847 429 N CB -1.036 37.394 38.487 -0.095 0.000 1.030 429 N HN 0.318 nan 8.380 nan 0.000 0.422 430 A N 0.000 122.787 122.820 -0.055 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 430 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 430 A CB 0.000 19.006 19.000 0.010 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486