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 2gq9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTQSLFQPIT LGALTLKNRI VMPPMTRSRA SQPGDVANHM MAIYYAQRAS DATA SEQUENCE AGLIVSEGTQ ISPTAKGYAW TPGIYTPEQI AGWRIVTEAV HAKGCAIFAQ DATA SEQUENCE LWHVGRVTHP DNIDGQQPIS SSTLKAENVK VFVDNXXXEP GFVDVAVPRA DATA SEQUENCE MTKADIAQVI ADYRQAALNA MEAGFDGIEL HAANGYLINQ FIDSEANNRS DATA SEQUENCE DEYGGSLENR LRFLDEVVAA LVDAIGAERV GVRLAPLTTL NGTVDADPIL DATA SEQUENCE TYTAAAALLN KHRIVYLHIA EVDWDDAPDT PVSFKRALRE AYQGVLIYAG DATA SEQUENCE RYNAEKAEQA INDGLADMIG FGRPFIANPD LPERLRHGYP LAEHVPATLF DATA SEQUENCE GGGEKGLTDY PTYQA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 2 T N -1.926 112.654 114.554 0.043 0.000 6.157 2 T HA -0.365 3.618 4.350 -0.611 0.000 0.281 2 T C 0.916 175.711 174.700 0.158 0.000 2.039 2 T CA 2.181 64.348 62.100 0.113 0.000 3.312 2 T CB -2.669 66.318 68.868 0.199 0.000 1.589 2 T HN 1.350 nan 8.240 nan 0.000 1.129 3 Q N 1.297 121.144 119.800 0.078 0.000 2.030 3 Q HA -0.130 3.844 4.340 -0.611 0.000 0.204 3 Q C 2.351 178.394 176.000 0.071 0.000 0.986 3 Q CA 2.194 58.041 55.803 0.073 0.000 0.843 3 Q CB -0.343 28.410 28.738 0.025 0.000 0.904 3 Q HN 0.767 nan 8.270 nan 0.000 0.420 4 S N 0.583 116.300 115.700 0.027 0.000 2.382 4 S HA -0.135 3.968 4.470 -0.611 0.000 0.228 4 S C 1.721 176.291 174.600 -0.049 0.000 1.027 4 S CA 0.891 59.087 58.200 -0.007 0.000 0.991 4 S CB -0.292 62.896 63.200 -0.021 0.000 0.823 4 S HN 0.357 nan 8.310 nan 0.000 0.469 5 L N 0.466 121.642 121.223 -0.077 0.000 2.187 5 L HA 0.051 4.025 4.340 -0.611 0.000 0.213 5 L C 0.829 177.401 176.870 -0.497 0.000 1.100 5 L CA 1.657 56.341 54.840 -0.259 0.000 0.765 5 L CB -0.458 41.432 42.059 -0.281 0.000 0.904 5 L HN 0.228 nan 8.230 nan 0.000 0.437 6 F N -0.818 119.108 119.950 -0.041 0.000 2.668 6 F HA 0.281 4.443 4.527 -0.609 0.000 0.297 6 F C 0.799 176.579 175.800 -0.034 0.000 1.124 6 F CA -0.506 57.468 58.000 -0.043 0.000 1.353 6 F CB -0.112 38.851 39.000 -0.061 0.000 0.992 6 F HN -0.005 nan 8.300 nan 0.000 0.524 7 Q N 2.278 122.089 119.800 0.018 0.000 2.230 7 Q HA 0.306 4.280 4.340 -0.611 0.000 0.253 7 Q C -2.259 173.733 176.000 -0.014 0.000 0.919 7 Q CA -1.987 53.825 55.803 0.014 0.000 0.908 7 Q CB 1.550 30.285 28.738 -0.005 0.000 1.245 7 Q HN 0.022 nan 8.270 nan 0.000 0.437 8 P HA 0.313 nan 4.420 nan 0.000 0.275 8 P C -0.507 176.778 177.300 -0.025 0.000 1.266 8 P CA -0.283 62.811 63.100 -0.010 0.000 0.793 8 P CB 1.165 32.869 31.700 0.005 0.000 1.074 9 I N -1.556 118.996 120.570 -0.029 0.000 2.787 9 I HA 0.216 4.019 4.170 -0.611 0.000 0.294 9 I C -0.994 175.110 176.117 -0.023 0.000 1.365 9 I CA -0.459 60.821 61.300 -0.034 0.000 1.029 9 I CB 2.267 40.233 38.000 -0.057 0.000 1.313 9 I HN 0.135 nan 8.210 nan 0.000 0.431 10 T N 7.185 121.731 114.554 -0.014 0.000 2.817 10 T HA 0.436 4.420 4.350 -0.611 0.000 0.293 10 T C -0.554 174.149 174.700 0.006 0.000 0.964 10 T CA -0.080 62.020 62.100 0.000 0.000 1.085 10 T CB 0.922 69.792 68.868 0.004 0.000 0.921 10 T HN 0.353 nan 8.240 nan 0.000 0.502 11 L N 4.113 125.351 121.223 0.025 0.000 2.433 11 L HA 0.575 4.548 4.340 -0.611 0.000 0.256 11 L C 0.725 177.653 176.870 0.096 0.000 1.063 11 L CA 0.681 55.552 54.840 0.051 0.000 0.922 11 L CB -0.324 41.749 42.059 0.023 0.000 1.238 11 L HN 0.917 nan 8.230 nan 0.000 0.466 12 G N 3.274 112.124 108.800 0.082 0.000 2.565 12 G HA2 -0.336 3.258 3.960 -0.611 0.000 0.295 12 G HA3 -0.336 3.258 3.960 -0.611 0.000 0.295 12 G C 0.750 175.686 174.900 0.061 0.000 1.165 12 G CA 0.360 45.509 45.100 0.082 0.000 0.977 12 G HN 1.299 nan 8.290 nan 0.000 0.546 13 A N 0.030 122.891 122.820 0.067 0.000 2.251 13 A HA 0.662 4.615 4.320 -0.611 0.000 0.209 13 A C 1.098 178.711 177.584 0.047 0.000 1.187 13 A CA 0.911 52.975 52.037 0.045 0.000 0.823 13 A CB -0.209 18.812 19.000 0.035 0.000 0.846 13 A HN 0.751 nan 8.150 nan 0.000 0.486 14 L N 0.471 121.735 121.223 0.069 0.000 2.334 14 L HA 0.464 4.437 4.340 -0.611 0.000 0.275 14 L C 0.217 177.112 176.870 0.041 0.000 1.036 14 L CA -0.509 54.369 54.840 0.064 0.000 0.807 14 L CB 1.828 43.951 42.059 0.107 0.000 1.231 14 L HN 0.201 nan 8.230 nan 0.000 0.438 15 T N 0.503 115.075 114.554 0.030 0.000 2.791 15 T HA 0.632 4.616 4.350 -0.611 0.000 0.288 15 T C -0.468 174.243 174.700 0.018 0.000 0.999 15 T CA -0.715 61.395 62.100 0.018 0.000 0.952 15 T CB 0.610 69.486 68.868 0.014 0.000 0.938 15 T HN 0.318 nan 8.240 nan 0.000 0.444 16 L N 2.612 123.838 121.223 0.005 0.000 2.379 16 L HA 0.600 4.574 4.340 -0.611 0.000 0.269 16 L C 1.981 178.851 176.870 0.000 0.000 1.084 16 L CA -0.994 53.845 54.840 -0.002 0.000 0.802 16 L CB 0.641 42.679 42.059 -0.034 0.000 1.175 16 L HN 0.889 nan 8.230 nan 0.000 0.448 17 K N 2.275 122.683 120.400 0.013 0.000 2.148 17 K HA -0.081 3.872 4.320 -0.611 0.000 0.204 17 K C 0.527 177.141 176.600 0.022 0.000 1.050 17 K CA 1.869 58.174 56.287 0.029 0.000 0.942 17 K CB -0.793 31.738 32.500 0.052 0.000 0.724 17 K HN 0.937 nan 8.250 nan 0.000 0.446 18 N N -3.237 115.451 118.700 -0.021 0.000 3.277 18 N HA 0.304 4.678 4.740 -0.611 0.000 0.278 18 N C -0.323 175.106 175.510 -0.135 0.000 1.544 18 N CA -0.873 52.125 53.050 -0.087 0.000 0.869 18 N CB 0.693 39.095 38.487 -0.141 0.000 1.584 18 N HN -0.153 nan 8.380 nan 0.000 0.564 19 R N -0.301 120.075 120.500 -0.207 0.000 2.334 19 R HA 0.409 4.383 4.340 -0.611 0.000 0.220 19 R C -0.198 175.999 176.300 -0.170 0.000 0.917 19 R CA -0.188 55.801 56.100 -0.185 0.000 1.073 19 R CB -0.967 29.225 30.300 -0.180 0.000 1.056 19 R HN 0.618 nan 8.270 nan 0.000 0.506 20 I N 1.183 121.665 120.570 -0.147 0.000 2.395 20 I HA 0.130 3.934 4.170 -0.611 0.000 0.289 20 I C -0.035 176.102 176.117 0.032 0.000 1.023 20 I CA -0.551 60.748 61.300 -0.001 0.000 1.350 20 I CB 1.553 39.540 38.000 -0.022 0.000 1.409 20 I HN -0.346 nan 8.210 nan 0.000 0.507 21 V N 7.097 127.043 119.914 0.053 0.000 2.555 21 V HA 0.353 4.107 4.120 -0.611 0.000 0.302 21 V C -0.043 176.115 176.094 0.107 0.000 1.038 21 V CA -0.744 61.528 62.300 -0.047 0.000 0.887 21 V CB 1.928 33.581 31.823 -0.284 0.000 0.991 21 V HN 0.697 nan 8.190 nan 0.000 0.434 22 M N 8.350 127.920 119.600 -0.050 0.000 2.069 22 M HA 0.412 4.526 4.480 -0.611 0.000 0.349 22 M C -2.458 173.797 176.300 -0.076 0.000 1.194 22 M CA -1.737 53.463 55.300 -0.167 0.000 1.081 22 M CB 1.426 33.609 32.600 -0.694 0.000 1.500 22 M HN 0.407 nan 8.290 nan 0.000 0.438 23 P HA 0.227 nan 4.420 nan 0.000 0.272 23 P C -2.834 174.472 177.300 0.010 0.000 1.240 23 P CA -1.094 62.034 63.100 0.047 0.000 0.791 23 P CB -0.504 31.239 31.700 0.072 0.000 0.978 24 P HA 0.125 nan 4.420 nan 0.000 0.263 24 P C -0.521 176.744 177.300 -0.057 0.000 1.195 24 P CA 0.860 63.928 63.100 -0.054 0.000 0.762 24 P CB 0.150 31.739 31.700 -0.185 0.000 0.799 25 M N 2.211 121.832 119.600 0.035 0.000 2.122 25 M HA 0.156 4.270 4.480 -0.611 0.000 0.269 25 M C -0.116 176.246 176.300 0.104 0.000 0.954 25 M CA -0.287 55.031 55.300 0.030 0.000 0.998 25 M CB 1.956 34.568 32.600 0.020 0.000 1.755 25 M HN 0.107 nan 8.290 nan 0.000 0.459 26 T N 3.471 118.087 114.554 0.104 0.000 2.867 26 T HA 0.138 4.122 4.350 -0.611 0.000 0.297 26 T C 1.075 175.935 174.700 0.267 0.000 0.989 26 T CA 0.147 62.377 62.100 0.217 0.000 1.159 26 T CB 0.440 69.455 68.868 0.244 0.000 0.928 26 T HN 0.501 nan 8.240 nan 0.000 0.538 27 R N 1.205 121.829 120.500 0.207 0.000 2.446 27 R HA 0.216 4.190 4.340 -0.611 0.000 0.254 27 R C 0.675 177.110 176.300 0.226 0.000 0.918 27 R CA -0.238 55.910 56.100 0.080 0.000 1.069 27 R CB -0.185 30.007 30.300 -0.179 0.000 1.194 27 R HN 0.697 nan 8.270 nan 0.000 0.534 28 S N 1.882 117.771 115.700 0.316 0.000 3.524 28 S HA -0.136 3.968 4.470 -0.611 0.000 0.377 28 S C 0.672 175.461 174.600 0.316 0.000 0.949 28 S CA 0.585 59.009 58.200 0.374 0.000 1.264 28 S CB -0.635 62.825 63.200 0.434 0.000 0.918 28 S HN 0.280 nan 8.310 nan 0.000 0.517 29 R N -0.567 120.029 120.500 0.160 0.000 2.508 29 R HA 0.365 4.338 4.340 -0.611 0.000 0.300 29 R C 0.807 177.113 176.300 0.010 0.000 0.970 29 R CA 0.482 56.602 56.100 0.033 0.000 1.102 29 R CB 0.008 30.273 30.300 -0.058 0.000 1.246 29 R HN 0.577 nan 8.270 nan 0.000 0.539 30 A N 1.522 124.392 122.820 0.083 0.000 2.540 30 A HA 0.179 4.132 4.320 -0.611 0.000 0.239 30 A C 0.329 177.913 177.584 -0.000 0.000 1.061 30 A CA 0.185 52.242 52.037 0.032 0.000 0.758 30 A CB 0.250 19.304 19.000 0.091 0.000 0.991 30 A HN 0.197 nan 8.150 nan 0.000 0.502 31 S N 1.906 117.580 115.700 -0.043 0.000 2.560 31 S HA 0.253 4.357 4.470 -0.611 0.000 0.284 31 S C 0.064 174.651 174.600 -0.021 0.000 1.327 31 S CA -0.203 57.966 58.200 -0.052 0.000 1.055 31 S CB 0.337 63.505 63.200 -0.054 0.000 0.868 31 S HN 0.673 nan 8.310 nan 0.000 0.506 32 Q N 2.459 122.238 119.800 -0.035 0.000 2.342 32 Q HA 0.530 4.504 4.340 -0.611 0.000 0.267 32 Q C -1.966 174.032 176.000 -0.003 0.000 1.038 32 Q CA -1.692 54.115 55.803 0.007 0.000 0.832 32 Q CB 0.812 29.555 28.738 0.008 0.000 1.323 32 Q HN 0.527 nan 8.270 nan 0.000 0.448 33 P HA 0.543 nan 4.420 nan 0.000 0.281 33 P C 0.196 177.512 177.300 0.026 0.000 1.281 33 P CA -0.169 62.954 63.100 0.038 0.000 0.811 33 P CB 1.047 32.769 31.700 0.037 0.000 1.154 34 G N -0.475 108.348 108.800 0.039 0.000 2.195 34 G HA2 -0.195 3.399 3.960 -0.611 0.000 0.224 34 G HA3 -0.195 3.399 3.960 -0.611 0.000 0.224 34 G C -0.049 174.847 174.900 -0.007 0.000 0.990 34 G CA 0.140 45.245 45.100 0.010 0.000 0.639 34 G HN 0.640 nan 8.290 nan 0.000 0.514 35 D N -0.576 119.845 120.400 0.035 0.000 2.803 35 D HA -0.136 4.138 4.640 -0.611 0.000 0.233 35 D C 0.540 176.817 176.300 -0.039 0.000 1.182 35 D CA 1.389 55.416 54.000 0.045 0.000 0.726 35 D CB -1.397 39.453 40.800 0.083 0.000 0.987 35 D HN 0.907 nan 8.370 nan 0.000 0.412 36 V N -0.001 119.871 119.914 -0.070 0.000 2.427 36 V HA 0.629 4.382 4.120 -0.611 0.000 0.286 36 V C 1.027 176.988 176.094 -0.221 0.000 1.034 36 V CA -0.901 61.311 62.300 -0.146 0.000 0.893 36 V CB 1.858 33.617 31.823 -0.107 0.000 0.982 36 V HN 0.457 nan 8.190 nan 0.000 0.452 37 A N 4.787 127.346 122.820 -0.436 0.000 2.511 37 A HA 0.470 4.423 4.320 -0.611 0.000 0.242 37 A C 0.363 177.776 177.584 -0.286 0.000 1.069 37 A CA 0.042 51.731 52.037 -0.579 0.000 0.763 37 A CB -0.299 17.926 19.000 -1.291 0.000 1.001 37 A HN 1.106 nan 8.150 nan 0.000 0.498 38 N N -0.157 118.441 118.700 -0.170 0.000 3.091 38 N HA 0.324 4.697 4.740 -0.611 0.000 0.329 38 N C 0.408 175.928 175.510 0.017 0.000 1.430 38 N CA -0.253 52.764 53.050 -0.055 0.000 0.755 38 N CB 0.117 38.585 38.487 -0.033 0.000 1.626 38 N HN 0.581 nan 8.380 nan 0.000 0.614 39 H N -0.319 118.735 119.070 -0.027 0.000 2.353 39 H HA -0.058 4.133 4.556 -0.609 0.000 0.300 39 H C 1.828 177.169 175.328 0.022 0.000 1.090 39 H CA 2.901 58.950 56.048 0.001 0.000 1.327 39 H CB -0.052 29.707 29.762 -0.005 0.000 1.383 39 H HN 0.653 nan 8.280 nan 0.000 0.508 40 M N -1.407 118.180 119.600 -0.022 0.000 2.229 40 M HA -0.088 4.026 4.480 -0.611 0.000 0.264 40 M C 1.955 178.230 176.300 -0.043 0.000 1.063 40 M CA 1.859 57.117 55.300 -0.069 0.000 1.114 40 M CB -0.266 32.319 32.600 -0.025 0.000 1.387 40 M HN 0.201 nan 8.290 nan 0.000 0.420 41 M N 1.079 120.678 119.600 -0.002 0.000 2.200 41 M HA 0.012 4.126 4.480 -0.611 0.000 0.265 41 M C 2.624 179.075 176.300 0.251 0.000 1.066 41 M CA 1.586 56.959 55.300 0.122 0.000 1.127 41 M CB -0.492 32.183 32.600 0.125 0.000 1.379 41 M HN 0.561 nan 8.290 nan 0.000 0.420 42 A N 0.768 123.651 122.820 0.105 0.000 1.902 42 A HA -0.135 3.819 4.320 -0.611 0.000 0.217 42 A C 2.037 179.640 177.584 0.031 0.000 1.181 42 A CA 1.284 53.377 52.037 0.092 0.000 0.623 42 A CB -0.676 18.320 19.000 -0.006 0.000 0.818 42 A HN 0.358 nan 8.150 nan 0.000 0.443 43 I N -1.334 119.173 120.570 -0.105 0.000 2.226 43 I HA -0.220 3.584 4.170 -0.611 0.000 0.245 43 I C 2.411 178.548 176.117 0.034 0.000 1.100 43 I CA 1.586 62.839 61.300 -0.079 0.000 1.374 43 I CB -1.562 36.350 38.000 -0.146 0.000 1.057 43 I HN 0.589 nan 8.210 nan 0.000 0.413 44 Y N 1.498 121.741 120.300 -0.094 0.000 2.081 44 Y HA -0.326 3.849 4.550 -0.625 0.000 0.280 44 Y C 2.633 178.442 175.900 -0.151 0.000 1.163 44 Y CA 1.823 59.835 58.100 -0.146 0.000 1.135 44 Y CB -0.947 37.357 38.460 -0.259 0.000 0.970 44 Y HN 0.096 nan 8.280 nan 0.000 0.498 45 Y N -0.197 120.010 120.300 -0.155 0.000 2.263 45 Y HA -0.055 4.116 4.550 -0.632 0.000 0.292 45 Y C 2.724 178.508 175.900 -0.194 0.000 1.130 45 Y CA 1.244 59.173 58.100 -0.286 0.000 1.179 45 Y CB -1.113 37.295 38.460 -0.087 0.000 0.998 45 Y HN 0.248 nan 8.280 nan 0.000 0.532 46 A N -0.123 122.727 122.820 0.050 0.000 1.972 46 A HA -0.245 3.708 4.320 -0.611 0.000 0.219 46 A C 2.064 179.648 177.584 -0.001 0.000 1.169 46 A CA 1.629 53.675 52.037 0.016 0.000 0.635 46 A CB -0.650 18.362 19.000 0.019 0.000 0.810 46 A HN 0.534 nan 8.150 nan 0.000 0.446 47 Q N -0.928 118.862 119.800 -0.017 0.000 2.291 47 Q HA -0.090 3.884 4.340 -0.611 0.000 0.206 47 Q C 1.229 177.236 176.000 0.011 0.000 0.976 47 Q CA 1.114 56.921 55.803 0.007 0.000 0.875 47 Q CB -0.039 28.713 28.738 0.023 0.000 0.927 47 Q HN 0.606 nan 8.270 nan 0.000 0.450 48 R N -0.776 119.682 120.500 -0.070 0.000 2.552 48 R HA 0.263 4.237 4.340 -0.611 0.000 0.314 48 R C 0.960 177.220 176.300 -0.066 0.000 1.041 48 R CA 0.038 56.096 56.100 -0.069 0.000 1.076 48 R CB 0.610 30.671 30.300 -0.399 0.000 1.290 48 R HN 0.025 nan 8.270 nan 0.000 0.563 49 A N 0.865 123.680 122.820 -0.009 0.000 2.239 49 A HA -0.064 3.890 4.320 -0.611 0.000 0.209 49 A C 1.806 179.424 177.584 0.057 0.000 1.171 49 A CA 0.864 52.905 52.037 0.006 0.000 0.768 49 A CB -0.188 18.820 19.000 0.014 0.000 0.790 49 A HN 0.322 nan 8.150 nan 0.000 0.478 50 S N -0.577 115.191 115.700 0.113 0.000 2.603 50 S HA 0.459 4.563 4.470 -0.611 0.000 0.220 50 S C 0.988 175.690 174.600 0.170 0.000 0.967 50 S CA 0.269 58.553 58.200 0.139 0.000 0.920 50 S CB -0.508 62.785 63.200 0.155 0.000 0.773 50 S HN 0.778 nan 8.310 nan 0.000 0.529 51 A N 1.011 123.946 122.820 0.191 0.000 2.406 51 A HA 0.616 4.569 4.320 -0.611 0.000 0.243 51 A C 1.541 179.163 177.584 0.063 0.000 1.082 51 A CA -0.012 52.140 52.037 0.192 0.000 0.786 51 A CB -0.315 18.727 19.000 0.071 0.000 1.029 51 A HN 0.392 nan 8.150 nan 0.000 0.495 52 G N -0.514 108.298 108.800 0.020 0.000 2.403 52 G HA2 0.287 3.881 3.960 -0.611 0.000 0.216 52 G HA3 0.287 3.881 3.960 -0.611 0.000 0.216 52 G C 0.219 175.088 174.900 -0.052 0.000 1.154 52 G CA 1.367 46.452 45.100 -0.025 0.000 0.784 52 G HN 0.903 nan 8.290 nan 0.000 0.538 53 L N -0.257 120.912 121.223 -0.091 0.000 2.455 53 L HA 0.646 4.620 4.340 -0.611 0.000 0.264 53 L C -1.467 175.316 176.870 -0.145 0.000 0.968 53 L CA -0.859 53.899 54.840 -0.137 0.000 0.827 53 L CB 2.220 44.118 42.059 -0.268 0.000 1.317 53 L HN -0.016 nan 8.230 nan 0.000 0.407 54 I N 4.930 125.434 120.570 -0.110 0.000 2.404 54 I HA 0.521 4.325 4.170 -0.611 0.000 0.293 54 I C -0.854 175.223 176.117 -0.066 0.000 0.992 54 I CA -0.968 60.262 61.300 -0.117 0.000 1.149 54 I CB 2.027 39.961 38.000 -0.109 0.000 1.315 54 I HN 0.289 nan 8.210 nan 0.000 0.446 55 V N 5.274 125.151 119.914 -0.060 0.000 2.384 55 V HA 0.257 4.010 4.120 -0.611 0.000 0.287 55 V C 0.399 176.484 176.094 -0.014 0.000 1.020 55 V CA -0.617 61.675 62.300 -0.013 0.000 0.850 55 V CB 1.641 33.466 31.823 0.003 0.000 0.987 55 V HN 0.903 nan 8.190 nan 0.000 0.436 56 S N 4.152 119.799 115.700 -0.087 0.000 2.584 56 S HA 0.223 4.327 4.470 -0.611 0.000 0.270 56 S C 0.252 174.886 174.600 0.057 0.000 1.346 56 S CA -0.598 57.560 58.200 -0.069 0.000 1.018 56 S CB 0.460 63.460 63.200 -0.334 0.000 0.899 56 S HN 0.882 nan 8.310 nan 0.000 0.542 57 E N 1.086 121.461 120.200 0.291 0.000 2.438 57 E HA 0.227 4.211 4.350 -0.611 0.000 0.261 57 E C 0.698 177.330 176.600 0.053 0.000 1.103 57 E CA -0.326 56.186 56.400 0.187 0.000 0.959 57 E CB -0.243 29.668 29.700 0.351 0.000 0.958 57 E HN 0.819 nan 8.360 nan 0.000 0.447 58 G N 0.712 109.378 108.800 -0.223 0.000 2.321 58 G HA2 0.150 3.743 3.960 -0.611 0.000 0.237 58 G HA3 0.150 3.743 3.960 -0.611 0.000 0.237 58 G C -0.502 174.588 174.900 0.317 0.000 1.282 58 G CA 0.099 45.014 45.100 -0.309 0.000 0.886 58 G HN 0.421 nan 8.290 nan 0.000 0.528 59 T N 2.205 117.002 114.554 0.405 0.000 2.890 59 T HA 0.344 4.328 4.350 -0.611 0.000 0.295 59 T C 0.220 175.194 174.700 0.457 0.000 0.993 59 T CA -0.788 61.613 62.100 0.501 0.000 0.979 59 T CB 0.793 69.935 68.868 0.456 0.000 0.967 59 T HN 0.722 nan 8.240 nan 0.000 0.441 60 Q N 5.406 125.459 119.800 0.421 0.000 2.330 60 Q HA 0.114 4.087 4.340 -0.611 0.000 0.279 60 Q C 1.212 177.359 176.000 0.245 0.000 1.024 60 Q CA -0.099 55.840 55.803 0.227 0.000 0.900 60 Q CB 0.510 29.298 28.738 0.084 0.000 1.221 60 Q HN 0.938 nan 8.270 nan 0.000 0.396 61 I N -0.981 119.629 120.570 0.068 0.000 3.428 61 I HA 0.064 3.868 4.170 -0.611 0.000 0.286 61 I C 0.237 176.304 176.117 -0.083 0.000 1.287 61 I CA 0.128 61.451 61.300 0.038 0.000 1.396 61 I CB 0.069 37.969 38.000 -0.166 0.000 1.062 61 I HN 0.628 nan 8.210 nan 0.000 0.471 62 S N -0.987 114.530 115.700 -0.304 0.000 2.636 62 S HA 0.484 4.588 4.470 -0.611 0.000 0.268 62 S C -2.559 171.604 174.600 -0.728 0.000 1.159 62 S CA -0.866 56.852 58.200 -0.803 0.000 0.815 62 S CB 1.406 64.339 63.200 -0.446 0.000 1.130 62 S HN -0.233 nan 8.310 nan 0.000 0.471 63 P HA -0.002 nan 4.420 nan 0.000 0.218 63 P C 1.291 178.456 177.300 -0.225 0.000 1.149 63 P CA 1.916 64.840 63.100 -0.293 0.000 0.817 63 P CB -0.244 31.335 31.700 -0.201 0.000 0.785 64 T N -4.566 109.830 114.554 -0.264 0.000 3.107 64 T HA 0.351 4.335 4.350 -0.611 0.000 0.249 64 T C 1.459 175.911 174.700 -0.414 0.000 1.096 64 T CA 0.377 62.335 62.100 -0.237 0.000 1.012 64 T CB -0.448 68.340 68.868 -0.135 0.000 0.977 64 T HN -0.047 nan 8.240 nan 0.000 0.527 65 A N 0.780 123.244 122.820 -0.593 0.000 2.267 65 A HA 0.337 4.290 4.320 -0.611 0.000 0.213 65 A C 1.030 178.204 177.584 -0.683 0.000 1.192 65 A CA -0.266 51.147 52.037 -1.040 0.000 0.851 65 A CB -0.125 18.335 19.000 -0.899 0.000 0.881 65 A HN 0.485 nan 8.150 nan 0.000 0.494 66 K N -0.049 120.083 120.400 -0.447 0.000 2.270 66 K HA 0.373 4.326 4.320 -0.611 0.000 0.276 66 K C 0.842 177.169 176.600 -0.456 0.000 1.023 66 K CA 0.428 56.479 56.287 -0.393 0.000 0.955 66 K CB 0.768 33.164 32.500 -0.173 0.000 0.975 66 K HN 0.083 nan 8.250 nan 0.000 0.471 67 G N 2.922 111.373 108.800 -0.582 0.000 2.815 67 G HA2 0.129 3.722 3.960 -0.611 0.000 0.215 67 G HA3 0.129 3.722 3.960 -0.611 0.000 0.215 67 G C -0.788 173.595 174.900 -0.861 0.000 1.054 67 G CA 0.054 44.738 45.100 -0.692 0.000 0.832 67 G HN 0.547 nan 8.290 nan 0.000 0.557 68 Y N -0.096 120.079 120.300 -0.208 0.000 2.524 68 Y HA 0.666 4.882 4.550 -0.557 0.000 0.347 68 Y C 0.366 176.161 175.900 -0.176 0.000 1.005 68 Y CA -1.461 56.550 58.100 -0.149 0.000 1.025 68 Y CB 1.749 40.172 38.460 -0.062 0.000 1.275 68 Y HN 0.113 nan 8.280 nan 0.000 0.460 69 A N 1.638 124.352 122.820 -0.178 0.000 2.498 69 A HA 0.238 4.192 4.320 -0.611 0.000 0.239 69 A C -0.348 177.022 177.584 -0.357 0.000 1.068 69 A CA 0.009 51.745 52.037 -0.502 0.000 0.766 69 A CB -0.352 17.999 19.000 -1.081 0.000 1.003 69 A HN 0.941 nan 8.150 nan 0.000 0.497 70 W N -0.051 121.324 121.300 0.125 0.000 3.456 70 W HA -0.226 4.066 4.660 -0.614 0.000 0.314 70 W C 0.631 177.228 176.519 0.131 0.000 1.192 70 W CA 0.673 58.081 57.345 0.105 0.000 0.654 70 W CB -2.995 26.515 29.460 0.083 0.000 2.251 70 W HN 1.104 nan 8.180 nan 0.000 1.360 71 T N -0.267 114.477 114.554 0.317 0.000 2.909 71 T HA 0.590 4.574 4.350 -0.611 0.000 0.289 71 T C -1.485 173.387 174.700 0.287 0.000 1.005 71 T CA -1.628 60.680 62.100 0.347 0.000 1.084 71 T CB 2.824 71.964 68.868 0.453 0.000 0.975 71 T HN -0.098 nan 8.240 nan 0.000 0.509 72 P HA 0.323 nan 4.420 nan 0.000 0.276 72 P C 0.255 177.740 177.300 0.309 0.000 1.230 72 P CA -0.099 63.115 63.100 0.190 0.000 0.776 72 P CB 0.916 32.639 31.700 0.039 0.000 0.888 73 G N 1.802 110.703 108.800 0.170 0.000 2.511 73 G HA2 0.510 4.104 3.960 -0.611 0.000 0.316 73 G HA3 0.510 4.104 3.960 -0.611 0.000 0.316 73 G C -0.393 174.651 174.900 0.239 0.000 1.210 73 G CA -0.780 44.422 45.100 0.170 0.000 0.969 73 G HN 0.588 nan 8.290 nan 0.000 0.492 74 I N 0.284 120.996 120.570 0.237 0.000 3.171 74 I HA 0.280 4.084 4.170 -0.611 0.000 0.329 74 I C 0.242 176.484 176.117 0.207 0.000 1.522 74 I CA -0.615 60.855 61.300 0.283 0.000 0.948 74 I CB 0.083 38.243 38.000 0.266 0.000 1.527 74 I HN 0.661 nan 8.210 nan 0.000 0.547 75 Y N -0.863 119.516 120.300 0.132 0.000 2.430 75 Y HA 0.436 4.615 4.550 -0.618 0.000 0.254 75 Y C 0.894 176.839 175.900 0.075 0.000 1.088 75 Y CA -0.033 58.117 58.100 0.083 0.000 1.267 75 Y CB -0.566 37.922 38.460 0.047 0.000 1.204 75 Y HN 0.122 nan 8.280 nan 0.000 0.515 76 T N -2.013 112.421 114.554 -0.200 0.000 2.934 76 T HA 0.387 4.371 4.350 -0.611 0.000 0.283 76 T C -2.086 172.608 174.700 -0.010 0.000 1.005 76 T CA -2.239 59.822 62.100 -0.064 0.000 1.041 76 T CB 1.991 70.775 68.868 -0.140 0.000 1.042 76 T HN -0.216 nan 8.240 nan 0.000 0.505 77 P HA 0.031 nan 4.420 nan 0.000 0.217 77 P C 1.843 179.154 177.300 0.017 0.000 1.150 77 P CA 1.800 64.918 63.100 0.030 0.000 0.832 77 P CB -0.190 31.528 31.700 0.030 0.000 0.787 78 E N 0.339 120.534 120.200 -0.008 0.000 2.072 78 E HA -0.259 3.725 4.350 -0.611 0.000 0.191 78 E C 1.964 178.545 176.600 -0.033 0.000 0.985 78 E CA 1.428 57.817 56.400 -0.020 0.000 0.801 78 E CB -1.637 28.044 29.700 -0.033 0.000 0.750 78 E HN 0.436 nan 8.360 nan 0.000 0.452 79 Q N -0.616 119.150 119.800 -0.056 0.000 2.167 79 Q HA 0.024 3.998 4.340 -0.611 0.000 0.202 79 Q C 2.440 178.494 176.000 0.090 0.000 0.970 79 Q CA 1.368 57.137 55.803 -0.057 0.000 0.855 79 Q CB -0.208 28.462 28.738 -0.113 0.000 0.911 79 Q HN 0.637 nan 8.270 nan 0.000 0.438 80 I N 0.504 121.150 120.570 0.127 0.000 2.202 80 I HA -0.258 3.545 4.170 -0.611 0.000 0.242 80 I C 2.425 178.643 176.117 0.168 0.000 1.091 80 I CA 0.930 62.356 61.300 0.209 0.000 1.368 80 I CB -0.410 37.676 38.000 0.144 0.000 1.058 80 I HN 0.159 nan 8.210 nan 0.000 0.410 81 A N 1.002 123.873 122.820 0.085 0.000 1.902 81 A HA -0.140 3.814 4.320 -0.611 0.000 0.217 81 A C 2.438 180.048 177.584 0.043 0.000 1.181 81 A CA 1.940 54.010 52.037 0.056 0.000 0.623 81 A CB -1.476 17.541 19.000 0.028 0.000 0.818 81 A HN 0.467 nan 8.150 nan 0.000 0.443 82 G N -1.696 107.104 108.800 -0.000 0.000 2.440 82 G HA2 -0.280 3.313 3.960 -0.611 0.000 0.218 82 G HA3 -0.280 3.313 3.960 -0.611 0.000 0.218 82 G C 1.455 176.323 174.900 -0.053 0.000 1.154 82 G CA 0.921 45.976 45.100 -0.076 0.000 0.767 82 G HN 0.686 nan 8.290 nan 0.000 0.552 83 W N 0.370 121.689 121.300 0.031 0.000 2.402 83 W HA 0.025 4.304 4.660 -0.635 0.000 0.286 83 W C 2.850 179.273 176.519 -0.161 0.000 1.221 83 W CA 0.572 57.913 57.345 -0.006 0.000 1.257 83 W CB 0.138 29.691 29.460 0.155 0.000 1.120 83 W HN 0.128 nan 8.180 nan 0.000 0.551 84 R N 1.064 121.645 120.500 0.135 0.000 2.091 84 R HA -0.186 3.788 4.340 -0.611 0.000 0.238 84 R C 1.704 178.006 176.300 0.003 0.000 1.136 84 R CA 1.810 57.922 56.100 0.020 0.000 0.959 84 R CB -1.073 29.253 30.300 0.042 0.000 0.856 84 R HN 0.082 nan 8.270 nan 0.000 0.437 85 I N 0.248 120.837 120.570 0.031 0.000 2.208 85 I HA -0.228 3.576 4.170 -0.611 0.000 0.245 85 I C 2.211 178.342 176.117 0.023 0.000 1.097 85 I CA 1.147 62.468 61.300 0.034 0.000 1.363 85 I CB -1.043 36.986 38.000 0.049 0.000 1.051 85 I HN 0.058 nan 8.210 nan 0.000 0.413 86 V N 1.258 121.195 119.914 0.038 0.000 2.261 86 V HA -0.272 3.481 4.120 -0.611 0.000 0.246 86 V C 2.779 178.808 176.094 -0.108 0.000 1.047 86 V CA 2.504 64.832 62.300 0.047 0.000 1.015 86 V CB -1.331 30.627 31.823 0.225 0.000 0.642 86 V HN 0.591 nan 8.190 nan 0.000 0.446 87 T N -2.143 112.254 114.554 -0.262 0.000 2.788 87 T HA -0.198 3.785 4.350 -0.611 0.000 0.268 87 T C 1.724 176.239 174.700 -0.307 0.000 1.044 87 T CA 1.418 63.234 62.100 -0.474 0.000 1.139 87 T CB -0.317 68.172 68.868 -0.632 0.000 0.867 87 T HN 0.428 nan 8.240 nan 0.000 0.454 88 E N 1.666 121.809 120.200 -0.096 0.000 2.072 88 E HA 0.037 4.021 4.350 -0.611 0.000 0.191 88 E C 2.668 179.274 176.600 0.010 0.000 0.985 88 E CA 1.285 57.695 56.400 0.017 0.000 0.801 88 E CB -0.728 28.991 29.700 0.031 0.000 0.750 88 E HN 0.704 nan 8.360 nan 0.000 0.452 89 A N 1.018 123.830 122.820 -0.013 0.000 1.902 89 A HA -0.137 3.817 4.320 -0.611 0.000 0.217 89 A C 2.608 180.186 177.584 -0.011 0.000 1.181 89 A CA 1.487 53.527 52.037 0.005 0.000 0.623 89 A CB -0.650 18.358 19.000 0.012 0.000 0.818 89 A HN 0.135 nan 8.150 nan 0.000 0.443 90 V N -0.554 119.312 119.914 -0.079 0.000 2.358 90 V HA -0.264 3.490 4.120 -0.611 0.000 0.246 90 V C 2.246 178.308 176.094 -0.053 0.000 1.047 90 V CA 2.256 64.493 62.300 -0.105 0.000 1.035 90 V CB -1.123 30.564 31.823 -0.227 0.000 0.658 90 V HN 0.746 nan 8.190 nan 0.000 0.452 91 H N -0.177 118.882 119.070 -0.017 0.000 2.462 91 H HA 0.025 4.217 4.556 -0.608 0.000 0.292 91 H C 2.246 177.575 175.328 0.003 0.000 1.049 91 H CA 0.884 56.927 56.048 -0.009 0.000 1.334 91 H CB -0.017 29.733 29.762 -0.020 0.000 1.404 91 H HN 0.459 nan 8.280 nan 0.000 0.544 92 A N 0.809 123.700 122.820 0.119 0.000 2.121 92 A HA -0.110 3.844 4.320 -0.611 0.000 0.218 92 A C 1.818 179.439 177.584 0.062 0.000 1.154 92 A CA 1.117 53.200 52.037 0.076 0.000 0.679 92 A CB 0.036 19.069 19.000 0.056 0.000 0.795 92 A HN 0.158 nan 8.150 nan 0.000 0.458 93 K N -1.112 119.325 120.400 0.062 0.000 2.367 93 K HA 0.195 4.149 4.320 -0.611 0.000 0.194 93 K C 0.688 177.324 176.600 0.061 0.000 1.027 93 K CA 0.678 56.997 56.287 0.053 0.000 1.075 93 K CB 0.014 32.539 32.500 0.042 0.000 0.845 93 K HN 0.745 nan 8.250 nan 0.000 0.529 94 G N 2.061 110.910 108.800 0.081 0.000 2.689 94 G HA2 -0.221 3.373 3.960 -0.611 0.000 0.273 94 G HA3 -0.221 3.373 3.960 -0.611 0.000 0.273 94 G C -0.394 174.558 174.900 0.086 0.000 1.062 94 G CA 0.054 45.204 45.100 0.083 0.000 1.279 94 G HN 0.302 nan 8.290 nan 0.000 0.547 95 C N 1.061 120.435 119.300 0.124 0.000 3.241 95 C HA 0.898 4.992 4.460 -0.611 0.000 0.348 95 C C 0.437 175.523 174.990 0.160 0.000 1.180 95 C CA 0.402 59.478 59.018 0.095 0.000 1.273 95 C CB 0.985 28.748 27.740 0.037 0.000 1.620 95 C HN 2.184 nan 8.230 nan 0.000 0.510 96 A N 4.130 127.028 122.820 0.130 0.000 2.304 96 A HA 0.828 4.781 4.320 -0.611 0.000 0.301 96 A C -0.719 176.955 177.584 0.151 0.000 1.132 96 A CA -0.399 51.763 52.037 0.208 0.000 0.819 96 A CB 0.590 19.702 19.000 0.186 0.000 1.094 96 A HN 1.301 nan 8.150 nan 0.000 0.492 97 I N 1.139 121.852 120.570 0.239 0.000 2.607 97 I HA 0.599 4.403 4.170 -0.611 0.000 0.290 97 I C -1.902 174.524 176.117 0.516 0.000 1.129 97 I CA -0.648 60.780 61.300 0.214 0.000 1.042 97 I CB 1.254 39.223 38.000 -0.051 0.000 1.242 97 I HN 0.533 nan 8.210 nan 0.000 0.421 98 F N 5.557 125.554 119.950 0.079 0.000 2.492 98 F HA 0.713 4.868 4.527 -0.620 0.000 0.327 98 F C 0.529 176.128 175.800 -0.335 0.000 1.079 98 F CA -0.817 57.168 58.000 -0.024 0.000 0.967 98 F CB 2.070 41.082 39.000 0.019 0.000 1.169 98 F HN 0.457 nan 8.300 nan 0.000 0.472 99 A N 2.806 125.176 122.820 -0.751 0.000 2.274 99 A HA 0.387 4.341 4.320 -0.611 0.000 0.309 99 A C -0.314 176.957 177.584 -0.523 0.000 1.226 99 A CA -0.580 50.730 52.037 -1.210 0.000 0.853 99 A CB 0.372 18.094 19.000 -2.130 0.000 1.146 99 A HN 0.740 nan 8.150 nan 0.000 0.518 100 Q N 3.368 122.961 119.800 -0.345 0.000 2.361 100 Q HA 0.363 4.336 4.340 -0.611 0.000 0.250 100 Q C -1.108 174.855 176.000 -0.062 0.000 1.023 100 Q CA -0.221 55.486 55.803 -0.160 0.000 0.915 100 Q CB 0.166 28.798 28.738 -0.177 0.000 1.238 100 Q HN 0.737 nan 8.270 nan 0.000 0.451 101 L N 4.600 125.836 121.223 0.022 0.000 2.418 101 L HA 0.205 4.179 4.340 -0.611 0.000 0.274 101 L C -0.389 176.729 176.870 0.413 0.000 1.135 101 L CA -0.255 54.697 54.840 0.186 0.000 0.870 101 L CB 0.106 42.301 42.059 0.228 0.000 1.154 101 L HN 0.598 nan 8.230 nan 0.000 0.462 102 W N 4.790 126.192 121.300 0.171 0.000 2.632 102 W HA 0.400 5.185 4.660 0.209 0.000 0.328 102 W C -0.704 175.869 176.519 0.090 0.000 1.044 102 W CA -0.621 56.824 57.345 0.167 0.000 1.225 102 W CB 1.041 30.564 29.460 0.105 0.000 1.396 102 W HN 0.361 nan 8.180 nan 0.000 0.499 103 H N 5.046 124.253 119.070 0.228 0.000 3.181 103 H HA 0.216 4.404 4.556 -0.614 0.000 0.331 103 H C 0.531 175.815 175.328 -0.074 0.000 0.988 103 H CA -0.097 55.920 56.048 -0.051 0.000 1.449 103 H CB 1.550 31.322 29.762 0.018 0.000 1.749 103 H HN 0.375 nan 8.280 nan 0.000 0.501 104 V N 2.713 122.475 119.914 -0.254 0.000 3.141 104 V HA 0.216 3.970 4.120 -0.611 0.000 0.265 104 V C 1.450 177.725 176.094 0.303 0.000 1.126 104 V CA 1.180 63.458 62.300 -0.036 0.000 1.141 104 V CB -0.914 30.691 31.823 -0.363 0.000 0.743 104 V HN 0.944 nan 8.190 nan 0.000 0.492 105 G N 2.593 111.656 108.800 0.438 0.000 2.622 105 G HA2 -0.456 3.138 3.960 -0.611 0.000 0.307 105 G HA3 -0.456 3.138 3.960 -0.611 0.000 0.307 105 G C 1.022 175.998 174.900 0.127 0.000 1.226 105 G CA 1.333 46.595 45.100 0.269 0.000 0.997 105 G HN 0.967 nan 8.290 nan 0.000 0.551 106 R N 0.027 120.571 120.500 0.074 0.000 2.280 106 R HA 0.245 4.219 4.340 -0.611 0.000 0.207 106 R C 0.968 177.277 176.300 0.015 0.000 1.043 106 R CA 1.173 57.283 56.100 0.017 0.000 1.006 106 R CB -0.203 30.091 30.300 -0.010 0.000 0.885 106 R HN 0.431 nan 8.270 nan 0.000 0.467 107 V N 2.066 122.020 119.914 0.066 0.000 2.055 107 V HA 0.154 3.907 4.120 -0.611 0.000 0.248 107 V C 0.052 176.094 176.094 -0.086 0.000 1.476 107 V CA 0.282 62.617 62.300 0.059 0.000 1.417 107 V CB -0.163 31.805 31.823 0.242 0.000 1.465 107 V HN 0.446 nan 8.190 nan 0.000 0.502 108 T N 1.402 115.885 114.554 -0.118 0.000 2.658 108 T HA 0.474 4.458 4.350 -0.611 0.000 0.306 108 T C -1.837 172.813 174.700 -0.084 0.000 1.544 108 T CA -0.533 61.452 62.100 -0.192 0.000 0.991 108 T CB 1.705 70.440 68.868 -0.222 0.000 1.774 108 T HN 0.680 nan 8.240 nan 0.000 0.479 109 H N -0.157 118.798 119.070 -0.192 0.000 2.851 109 H HA 0.536 4.724 4.556 -0.613 0.000 0.372 109 H C -2.225 173.023 175.328 -0.134 0.000 1.158 109 H CA -1.674 54.285 56.048 -0.147 0.000 1.159 109 H CB 2.551 32.218 29.762 -0.158 0.000 1.757 109 H HN 0.278 nan 8.280 nan 0.000 0.546 110 P HA -0.183 nan 4.420 nan 0.000 0.217 110 P C 0.677 177.939 177.300 -0.062 0.000 1.148 110 P CA 1.445 64.392 63.100 -0.255 0.000 0.834 110 P CB 0.310 31.811 31.700 -0.331 0.000 0.783 111 D N -1.309 119.195 120.400 0.173 0.000 2.178 111 D HA -0.120 4.153 4.640 -0.611 0.000 0.201 111 D C 1.391 177.698 176.300 0.013 0.000 0.980 111 D CA 1.003 55.080 54.000 0.129 0.000 0.842 111 D CB -0.615 40.273 40.800 0.148 0.000 0.948 111 D HN 0.192 nan 8.370 nan 0.000 0.472 112 N N 0.404 119.094 118.700 -0.016 0.000 2.422 112 N HA 0.027 4.401 4.740 -0.611 0.000 0.181 112 N C 1.085 176.545 175.510 -0.083 0.000 1.080 112 N CA 0.197 53.200 53.050 -0.080 0.000 0.893 112 N CB 0.605 39.005 38.487 -0.145 0.000 0.973 112 N HN 0.419 nan 8.380 nan 0.000 0.456 113 I N -2.534 117.987 120.570 -0.082 0.000 3.061 113 I HA 0.314 4.117 4.170 -0.611 0.000 0.341 113 I C -1.098 174.977 176.117 -0.069 0.000 1.457 113 I CA -0.480 60.765 61.300 -0.093 0.000 0.921 113 I CB 0.155 38.079 38.000 -0.126 0.000 1.845 113 I HN -0.329 nan 8.210 nan 0.000 0.535 114 D N 2.774 123.148 120.400 -0.043 0.000 2.689 114 D HA -0.211 4.063 4.640 -0.611 0.000 0.237 114 D C 1.472 177.748 176.300 -0.040 0.000 1.148 114 D CA 1.575 55.556 54.000 -0.031 0.000 0.656 114 D CB -1.160 39.623 40.800 -0.027 0.000 1.050 114 D HN 1.055 nan 8.370 nan 0.000 0.426 115 G N -0.913 107.860 108.800 -0.046 0.000 2.270 115 G HA2 -0.404 3.190 3.960 -0.611 0.000 0.268 115 G HA3 -0.404 3.190 3.960 -0.611 0.000 0.268 115 G C 0.510 175.362 174.900 -0.080 0.000 0.982 115 G CA 0.810 45.874 45.100 -0.060 0.000 0.628 115 G HN 0.464 nan 8.290 nan 0.000 0.544 116 Q N 0.293 120.046 119.800 -0.077 0.000 2.524 116 Q HA 0.254 4.228 4.340 -0.611 0.000 0.246 116 Q C 0.672 176.613 176.000 -0.099 0.000 1.063 116 Q CA 0.200 55.956 55.803 -0.079 0.000 0.945 116 Q CB 0.409 29.103 28.738 -0.072 0.000 1.292 116 Q HN 0.732 nan 8.270 nan 0.000 0.518 117 Q N 1.644 121.392 119.800 -0.088 0.000 2.261 117 Q HA 0.299 4.273 4.340 -0.611 0.000 0.252 117 Q C -2.273 173.678 176.000 -0.082 0.000 0.915 117 Q CA -1.773 53.973 55.803 -0.096 0.000 0.915 117 Q CB 0.879 29.568 28.738 -0.081 0.000 1.204 117 Q HN 0.185 nan 8.270 nan 0.000 0.421 118 P HA 0.009 nan 4.420 nan 0.000 0.266 118 P C -0.855 176.420 177.300 -0.040 0.000 1.195 118 P CA 0.279 63.342 63.100 -0.061 0.000 0.768 118 P CB 0.317 31.975 31.700 -0.070 0.000 0.838 119 I N -1.272 119.296 120.570 -0.004 0.000 2.707 119 I HA 0.837 4.640 4.170 -0.611 0.000 0.309 119 I C -0.064 176.030 176.117 -0.038 0.000 1.001 119 I CA -0.650 60.635 61.300 -0.026 0.000 1.129 119 I CB 2.216 40.206 38.000 -0.017 0.000 1.308 119 I HN 0.264 nan 8.210 nan 0.000 0.466 120 S N 1.275 116.912 115.700 -0.105 0.000 2.661 120 S HA 0.305 4.409 4.470 -0.611 0.000 0.268 120 S C 0.672 175.053 174.600 -0.364 0.000 1.162 120 S CA 0.037 58.136 58.200 -0.168 0.000 0.817 120 S CB 1.120 64.237 63.200 -0.138 0.000 1.141 120 S HN 0.960 nan 8.310 nan 0.000 0.477 121 S N 0.962 116.248 115.700 -0.690 0.000 2.382 121 S HA 0.152 4.256 4.470 -0.611 0.000 0.228 121 S C 0.834 175.103 174.600 -0.551 0.000 1.027 121 S CA 1.163 58.645 58.200 -1.197 0.000 0.991 121 S CB -0.441 61.846 63.200 -1.523 0.000 0.823 121 S HN 0.632 nan 8.310 nan 0.000 0.469 122 S N 0.340 115.827 115.700 -0.355 0.000 2.900 122 S HA 0.535 4.638 4.470 -0.611 0.000 0.320 122 S C 0.245 174.755 174.600 -0.150 0.000 1.130 122 S CA -0.224 57.850 58.200 -0.211 0.000 0.863 122 S CB 1.379 64.477 63.200 -0.172 0.000 1.295 122 S HN 0.505 nan 8.310 nan 0.000 0.596 123 T N -0.206 114.284 114.554 -0.107 0.000 3.251 123 T HA 0.446 4.430 4.350 -0.611 0.000 0.259 123 T C -0.095 174.564 174.700 -0.069 0.000 0.998 123 T CA -0.139 61.912 62.100 -0.082 0.000 0.905 123 T CB -0.977 67.852 68.868 -0.066 0.000 1.067 123 T HN 0.283 nan 8.240 nan 0.000 0.569 124 L N 1.933 123.111 121.223 -0.075 0.000 2.276 124 L HA 0.470 4.444 4.340 -0.611 0.000 0.286 124 L C 0.418 177.259 176.870 -0.049 0.000 1.061 124 L CA -0.884 53.921 54.840 -0.057 0.000 0.807 124 L CB 1.308 43.332 42.059 -0.058 0.000 1.177 124 L HN 0.201 nan 8.230 nan 0.000 0.429 125 K N 3.001 123.379 120.400 -0.036 0.000 2.174 125 K HA 0.553 4.507 4.320 -0.611 0.000 0.275 125 K C -0.318 176.272 176.600 -0.017 0.000 1.015 125 K CA -0.621 55.650 56.287 -0.028 0.000 0.933 125 K CB 1.385 33.871 32.500 -0.023 0.000 1.025 125 K HN 0.659 nan 8.250 nan 0.000 0.463 126 A N 2.861 125.676 122.820 -0.009 0.000 2.454 126 A HA 0.277 4.231 4.320 -0.611 0.000 0.260 126 A C 0.076 177.664 177.584 0.007 0.000 1.106 126 A CA 0.043 52.080 52.037 0.000 0.000 0.780 126 A CB -0.022 18.983 19.000 0.009 0.000 1.044 126 A HN 0.898 nan 8.150 nan 0.000 0.498 127 E N 1.788 121.992 120.200 0.007 0.000 2.376 127 E HA 0.410 4.393 4.350 -0.611 0.000 0.266 127 E C 0.827 177.436 176.600 0.016 0.000 1.009 127 E CA 0.371 56.776 56.400 0.009 0.000 0.902 127 E CB -0.971 nan 29.700 nan 0.000 0.972 127 E HN 2.398 nan 8.360 nan 0.000 0.439 128 N N 0.340 119.049 118.700 0.015 0.000 2.689 128 N HA 0.028 4.401 4.740 -0.611 0.000 0.263 128 N C -0.016 175.513 175.510 0.031 0.000 0.987 128 N CA 1.014 54.075 53.050 0.018 0.000 0.782 128 N CB -1.747 nan 38.487 nan 0.000 0.903 128 N HN 1.085 nan 8.380 nan 0.000 0.547 129 V N 0.431 120.371 119.914 0.043 0.000 2.444 129 V HA 0.525 4.278 4.120 -0.611 0.000 0.294 129 V C 0.189 176.336 176.094 0.087 0.000 1.022 129 V CA -0.840 61.502 62.300 0.070 0.000 0.850 129 V CB 1.693 33.556 31.823 0.066 0.000 0.992 129 V HN 0.637 nan 8.190 nan 0.000 0.426 130 K N 3.253 123.733 120.400 0.133 0.000 2.221 130 K HA 0.883 4.837 4.320 -0.611 0.000 0.243 130 K C -0.809 175.943 176.600 0.253 0.000 0.968 130 K CA -0.739 55.653 56.287 0.174 0.000 0.846 130 K CB 2.603 35.231 32.500 0.215 0.000 1.141 130 K HN 0.553 nan 8.250 nan 0.000 0.434 131 V N -1.733 118.266 119.914 0.142 0.000 3.141 131 V HA 0.615 4.368 4.120 -0.611 0.000 0.312 131 V C -1.036 174.990 176.094 -0.114 0.000 1.157 131 V CA -1.085 61.227 62.300 0.021 0.000 1.041 131 V CB 1.427 33.052 31.823 -0.330 0.000 1.071 131 V HN 0.693 nan 8.190 nan 0.000 0.441 132 F N 1.242 120.950 119.950 -0.404 0.000 2.470 132 F HA 0.863 5.025 4.527 -0.610 0.000 0.329 132 F C -0.002 175.489 175.800 -0.515 0.000 1.072 132 F CA 0.079 57.673 58.000 -0.676 0.000 0.989 132 F CB 1.976 40.441 39.000 -0.891 0.000 1.193 132 F HN 0.746 nan 8.300 nan 0.000 0.481 133 V N -0.433 118.951 119.914 -0.883 0.000 3.182 133 V HA 0.975 4.729 4.120 -0.611 0.000 0.308 133 V C -0.441 175.337 176.094 -0.526 0.000 1.240 133 V CA 0.000 61.954 62.300 -0.577 0.000 1.063 133 V CB 0.650 32.177 31.823 -0.495 0.000 1.076 133 V HN 1.415 nan 8.190 nan 0.000 0.446 134 D N -1.083 119.152 120.400 -0.275 0.000 4.007 134 D HA 0.372 4.645 4.640 -0.611 0.000 0.220 134 D C -0.154 176.252 176.300 0.177 0.000 1.458 134 D CA 0.863 54.827 54.000 -0.060 0.000 1.108 134 D CB -1.793 nan 40.800 nan 0.000 0.704 134 D HN 2.823 nan 8.370 nan 0.000 0.854 140 P HA -0.160 nan 4.420 nan 0.000 0.226 140 P C 1.243 178.397 177.300 -0.242 0.000 0.981 140 P CA 3.605 66.627 63.100 -0.129 0.000 1.055 140 P CB -0.047 31.548 31.700 -0.174 0.000 0.721 141 G N -5.029 103.341 108.800 -0.717 0.000 2.368 141 G HA2 0.271 3.865 3.960 -0.611 0.000 0.269 141 G HA3 0.271 3.865 3.960 -0.611 0.000 0.269 141 G C -1.482 172.847 174.900 -0.950 0.000 1.291 141 G CA -0.933 43.677 45.100 -0.816 0.000 0.903 141 G HN -0.007 nan 8.290 nan 0.000 0.483 142 F N 0.628 120.384 119.950 -0.324 0.000 2.418 142 F HA 0.573 4.729 4.527 -0.619 0.000 0.341 142 F C 1.094 176.776 175.800 -0.197 0.000 1.120 142 F CA 0.251 58.153 58.000 -0.163 0.000 1.232 142 F CB 1.637 40.649 39.000 0.020 0.000 1.175 142 F HN 0.542 nan 8.300 nan 0.000 0.569 143 V N -1.218 118.680 119.914 -0.027 0.000 3.087 143 V HA 0.506 4.259 4.120 -0.611 0.000 0.306 143 V C -0.973 175.118 176.094 -0.005 0.000 1.187 143 V CA -1.262 60.985 62.300 -0.089 0.000 0.999 143 V CB 1.900 33.532 31.823 -0.318 0.000 1.049 143 V HN 0.560 nan 8.190 nan 0.000 0.431 144 D N 2.399 122.811 120.400 0.020 0.000 2.382 144 D HA 0.358 4.632 4.640 -0.611 0.000 0.245 144 D C 0.677 177.023 176.300 0.077 0.000 1.120 144 D CA 0.153 54.182 54.000 0.048 0.000 0.890 144 D CB 2.019 42.842 40.800 0.037 0.000 1.201 144 D HN 0.962 nan 8.370 nan 0.000 0.433 145 V N -0.633 119.315 119.914 0.057 0.000 3.287 145 V HA 0.452 4.206 4.120 -0.611 0.000 0.306 145 V C 0.491 176.602 176.094 0.027 0.000 1.103 145 V CA -0.671 61.655 62.300 0.044 0.000 1.159 145 V CB 0.406 32.238 31.823 0.015 0.000 1.036 145 V HN 0.621 nan 8.190 nan 0.000 0.487 146 A N 2.633 125.440 122.820 -0.022 0.000 2.247 146 A HA 0.761 4.715 4.320 -0.611 0.000 0.313 146 A C -0.098 177.449 177.584 -0.061 0.000 1.109 146 A CA -0.703 51.291 52.037 -0.072 0.000 0.890 146 A CB 1.015 19.908 19.000 -0.178 0.000 1.239 146 A HN 1.208 nan 8.150 nan 0.000 0.506 147 V N 2.875 122.749 119.914 -0.067 0.000 2.432 147 V HA 0.292 4.046 4.120 -0.611 0.000 0.271 147 V C -1.794 174.260 176.094 -0.067 0.000 1.046 147 V CA -0.923 61.342 62.300 -0.058 0.000 0.945 147 V CB 0.708 32.500 31.823 -0.052 0.000 0.992 147 V HN 0.823 nan 8.190 nan 0.000 0.471 148 P HA 0.349 nan 4.420 nan 0.000 0.276 148 P C -1.013 176.245 177.300 -0.071 0.000 1.261 148 P CA -0.744 62.316 63.100 -0.067 0.000 0.800 148 P CB 1.031 32.692 31.700 -0.066 0.000 1.066 149 R N 0.104 120.561 120.500 -0.073 0.000 2.589 149 R HA 0.751 4.725 4.340 -0.611 0.000 0.293 149 R C -0.444 175.802 176.300 -0.090 0.000 0.963 149 R CA -1.054 55.002 56.100 -0.073 0.000 0.905 149 R CB 1.105 31.368 30.300 -0.063 0.000 1.144 149 R HN 0.387 nan 8.270 nan 0.000 0.459 150 A N 4.669 127.432 122.820 -0.096 0.000 2.511 150 A HA 0.174 4.128 4.320 -0.611 0.000 0.242 150 A C 0.330 177.848 177.584 -0.110 0.000 1.069 150 A CA -0.276 51.687 52.037 -0.123 0.000 0.763 150 A CB 0.059 18.994 19.000 -0.109 0.000 1.001 150 A HN 0.807 nan 8.150 nan 0.000 0.498 151 M N 2.869 122.387 119.600 -0.137 0.000 2.217 151 M HA 0.149 4.263 4.480 -0.611 0.000 0.352 151 M C 1.122 177.365 176.300 -0.094 0.000 1.376 151 M CA 0.102 55.334 55.300 -0.112 0.000 1.107 151 M CB 0.528 33.054 32.600 -0.123 0.000 1.723 151 M HN 0.919 nan 8.290 nan 0.000 0.461 152 T N 0.103 114.615 114.554 -0.071 0.000 2.788 152 T HA 0.299 4.282 4.350 -0.611 0.000 0.280 152 T C 1.151 175.817 174.700 -0.057 0.000 0.984 152 T CA -0.904 61.168 62.100 -0.047 0.000 0.972 152 T CB 0.997 69.847 68.868 -0.030 0.000 1.039 152 T HN 0.525 nan 8.240 nan 0.000 0.530 153 K N 0.334 120.722 120.400 -0.019 0.000 2.147 153 K HA 0.010 3.964 4.320 -0.611 0.000 0.205 153 K C 2.421 179.016 176.600 -0.009 0.000 1.049 153 K CA 1.416 57.701 56.287 -0.004 0.000 0.936 153 K CB -1.203 31.329 32.500 0.054 0.000 0.722 153 K HN 0.745 nan 8.250 nan 0.000 0.446 154 A N 1.820 124.635 122.820 -0.008 0.000 1.897 154 A HA -0.156 3.797 4.320 -0.611 0.000 0.215 154 A C 1.751 179.328 177.584 -0.013 0.000 1.181 154 A CA 1.595 53.630 52.037 -0.004 0.000 0.620 154 A CB -0.309 18.689 19.000 -0.004 0.000 0.821 154 A HN 0.168 nan 8.150 nan 0.000 0.443 155 D N 0.312 120.693 120.400 -0.032 0.000 2.104 155 D HA -0.151 4.123 4.640 -0.611 0.000 0.194 155 D C 1.857 178.134 176.300 -0.038 0.000 0.994 155 D CA 1.301 55.278 54.000 -0.039 0.000 0.830 155 D CB -0.400 40.362 40.800 -0.062 0.000 0.959 155 D HN 0.518 nan 8.370 nan 0.000 0.452 156 I N 1.141 121.661 120.570 -0.083 0.000 2.163 156 I HA -0.286 3.518 4.170 -0.611 0.000 0.243 156 I C 2.476 178.632 176.117 0.065 0.000 1.085 156 I CA 1.186 62.443 61.300 -0.070 0.000 1.347 156 I CB -0.260 37.578 38.000 -0.270 0.000 1.044 156 I HN -0.064 nan 8.210 nan 0.000 0.408 157 A N -0.007 122.835 122.820 0.037 0.000 1.933 157 A HA -0.282 3.671 4.320 -0.611 0.000 0.218 157 A C 2.218 179.834 177.584 0.054 0.000 1.175 157 A CA 1.928 53.998 52.037 0.055 0.000 0.628 157 A CB -0.558 18.467 19.000 0.042 0.000 0.814 157 A HN 0.430 nan 8.150 nan 0.000 0.444 158 Q N -0.074 119.749 119.800 0.038 0.000 2.046 158 Q HA -0.085 3.888 4.340 -0.611 0.000 0.200 158 Q C 1.880 177.907 176.000 0.045 0.000 0.975 158 Q CA 2.204 58.025 55.803 0.029 0.000 0.836 158 Q CB -0.600 28.144 28.738 0.009 0.000 0.896 158 Q HN 0.319 nan 8.270 nan 0.000 0.428 159 V N 0.598 120.557 119.914 0.074 0.000 2.343 159 V HA -0.247 3.506 4.120 -0.611 0.000 0.247 159 V C 2.272 178.476 176.094 0.183 0.000 1.051 159 V CA 1.797 64.160 62.300 0.106 0.000 1.036 159 V CB -0.574 31.356 31.823 0.178 0.000 0.654 159 V HN 0.396 nan 8.190 nan 0.000 0.451 160 I N 0.459 121.147 120.570 0.195 0.000 2.286 160 I HA -0.249 3.555 4.170 -0.611 0.000 0.248 160 I C 2.648 178.836 176.117 0.120 0.000 1.115 160 I CA 1.451 62.841 61.300 0.149 0.000 1.392 160 I CB -0.571 37.466 38.000 0.063 0.000 1.065 160 I HN 0.303 nan 8.210 nan 0.000 0.418 161 A N 0.556 123.424 122.820 0.080 0.000 1.902 161 A HA -0.224 3.730 4.320 -0.611 0.000 0.217 161 A C 1.943 179.556 177.584 0.049 0.000 1.181 161 A CA 1.979 54.048 52.037 0.054 0.000 0.623 161 A CB -0.528 18.494 19.000 0.036 0.000 0.818 161 A HN 0.326 nan 8.150 nan 0.000 0.443 162 D N -1.456 118.960 120.400 0.027 0.000 2.144 162 D HA -0.121 4.153 4.640 -0.611 0.000 0.200 162 D C 1.622 177.917 176.300 -0.009 0.000 0.978 162 D CA 1.201 55.187 54.000 -0.024 0.000 0.833 162 D CB -0.370 40.373 40.800 -0.096 0.000 0.961 162 D HN 0.563 nan 8.370 nan 0.000 0.470 163 Y N 0.965 121.278 120.300 0.021 0.000 2.200 163 Y HA -0.066 4.110 4.550 -0.624 0.000 0.290 163 Y C 2.580 178.468 175.900 -0.021 0.000 1.137 163 Y CA 0.974 59.073 58.100 -0.002 0.000 1.163 163 Y CB -0.231 38.198 38.460 -0.052 0.000 0.988 163 Y HN -0.142 nan 8.280 nan 0.000 0.518 164 R N 0.007 120.593 120.500 0.144 0.000 2.081 164 R HA -0.256 3.718 4.340 -0.611 0.000 0.235 164 R C 2.235 178.566 176.300 0.052 0.000 1.131 164 R CA 1.892 58.031 56.100 0.065 0.000 0.960 164 R CB -0.196 30.130 30.300 0.042 0.000 0.856 164 R HN 0.244 nan 8.270 nan 0.000 0.436 165 Q N 0.162 119.996 119.800 0.056 0.000 2.119 165 Q HA -0.018 3.955 4.340 -0.611 0.000 0.201 165 Q C 1.746 177.782 176.000 0.061 0.000 0.972 165 Q CA 1.913 57.747 55.803 0.053 0.000 0.847 165 Q CB -0.218 28.552 28.738 0.054 0.000 0.903 165 Q HN 0.423 nan 8.270 nan 0.000 0.433 166 A N 0.253 123.115 122.820 0.069 0.000 1.933 166 A HA -0.061 3.893 4.320 -0.611 0.000 0.218 166 A C 2.270 179.871 177.584 0.028 0.000 1.175 166 A CA 1.823 53.902 52.037 0.070 0.000 0.628 166 A CB -1.104 17.943 19.000 0.078 0.000 0.814 166 A HN 0.499 nan 8.150 nan 0.000 0.444 167 A N -0.131 122.701 122.820 0.019 0.000 1.877 167 A HA -0.061 3.893 4.320 -0.611 0.000 0.216 167 A C 2.174 179.744 177.584 -0.023 0.000 1.186 167 A CA 1.515 53.533 52.037 -0.032 0.000 0.620 167 A CB -0.634 18.345 19.000 -0.034 0.000 0.822 167 A HN 0.475 nan 8.150 nan 0.000 0.443 168 L N -0.247 120.979 121.223 0.006 0.000 2.046 168 L HA -0.220 3.754 4.340 -0.611 0.000 0.208 168 L C 2.251 179.142 176.870 0.036 0.000 1.077 168 L CA 1.350 56.200 54.840 0.016 0.000 0.747 168 L CB -0.739 41.336 42.059 0.025 0.000 0.896 168 L HN 0.378 nan 8.230 nan 0.000 0.432 169 N N 0.385 119.117 118.700 0.053 0.000 2.166 169 N HA -0.148 4.225 4.740 -0.611 0.000 0.186 169 N C 1.854 177.428 175.510 0.106 0.000 1.019 169 N CA 1.472 54.573 53.050 0.085 0.000 0.856 169 N CB -0.334 38.219 38.487 0.110 0.000 0.993 169 N HN 0.320 nan 8.380 nan 0.000 0.426 170 A N 1.064 123.918 122.820 0.056 0.000 1.933 170 A HA -0.075 3.879 4.320 -0.611 0.000 0.218 170 A C 2.148 179.842 177.584 0.183 0.000 1.175 170 A CA 1.185 53.278 52.037 0.093 0.000 0.628 170 A CB -0.272 18.611 19.000 -0.195 0.000 0.814 170 A HN 0.077 nan 8.150 nan 0.000 0.444 171 M N -0.657 118.983 119.600 0.066 0.000 2.175 171 M HA -0.092 4.022 4.480 -0.611 0.000 0.264 171 M C 1.977 178.316 176.300 0.066 0.000 1.063 171 M CA 1.660 56.990 55.300 0.051 0.000 1.119 171 M CB -1.384 31.219 32.600 0.005 0.000 1.377 171 M HN 0.697 nan 8.290 nan 0.000 0.415 172 E N 0.263 120.506 120.200 0.071 0.000 2.204 172 E HA -0.092 3.891 4.350 -0.611 0.000 0.194 172 E C 1.635 178.284 176.600 0.081 0.000 0.989 172 E CA 1.082 57.522 56.400 0.067 0.000 0.824 172 E CB 0.132 29.873 29.700 0.068 0.000 0.756 172 E HN 0.436 nan 8.360 nan 0.000 0.477 173 A N -0.140 122.754 122.820 0.124 0.000 2.238 173 A HA 0.246 4.200 4.320 -0.611 0.000 0.208 173 A C 1.686 179.256 177.584 -0.024 0.000 1.177 173 A CA 0.869 52.974 52.037 0.114 0.000 0.804 173 A CB -0.317 18.843 19.000 0.268 0.000 0.823 173 A HN 0.465 nan 8.150 nan 0.000 0.482 174 G N -1.969 106.840 108.800 0.014 0.000 2.157 174 G HA2 -0.253 3.341 3.960 -0.611 0.000 0.248 174 G HA3 -0.253 3.341 3.960 -0.611 0.000 0.248 174 G C 0.054 174.953 174.900 -0.002 0.000 0.979 174 G CA 0.033 45.131 45.100 -0.003 0.000 0.650 174 G HN 0.329 nan 8.290 nan 0.000 0.529 175 F N 1.224 121.157 119.950 -0.028 0.000 2.496 175 F HA 0.297 4.462 4.527 -0.604 0.000 0.344 175 F C 1.605 177.353 175.800 -0.086 0.000 1.155 175 F CA 0.382 58.327 58.000 -0.093 0.000 1.302 175 F CB 0.591 39.452 39.000 -0.231 0.000 1.159 175 F HN -0.017 nan 8.300 nan 0.000 0.595 176 D N 1.042 121.531 120.400 0.149 0.000 2.347 176 D HA 0.168 4.441 4.640 -0.611 0.000 0.213 176 D C 0.868 176.907 176.300 -0.436 0.000 0.985 176 D CA 0.756 54.769 54.000 0.021 0.000 0.879 176 D CB 0.410 41.373 40.800 0.271 0.000 0.919 176 D HN 0.660 nan 8.370 nan 0.000 0.526 177 G N 0.495 108.733 108.800 -0.937 0.000 2.340 177 G HA2 0.427 4.021 3.960 -0.611 0.000 0.299 177 G HA3 0.427 4.021 3.960 -0.611 0.000 0.299 177 G C -1.853 172.329 174.900 -1.197 0.000 1.291 177 G CA -0.712 43.450 45.100 -1.563 0.000 0.841 177 G HN 0.082 nan 8.290 nan 0.000 0.500 178 I N -2.699 117.404 120.570 -0.779 0.000 2.828 178 I HA 0.883 4.686 4.170 -0.611 0.000 0.302 178 I C -0.740 175.347 176.117 -0.050 0.000 1.101 178 I CA -1.193 59.900 61.300 -0.346 0.000 1.031 178 I CB 2.595 40.427 38.000 -0.281 0.000 1.231 178 I HN 0.614 nan 8.210 nan 0.000 0.427 179 E N 3.715 123.909 120.200 -0.010 0.000 2.165 179 E HA 0.448 4.432 4.350 -0.611 0.000 0.266 179 E C -1.619 174.962 176.600 -0.031 0.000 0.889 179 E CA -1.020 55.385 56.400 0.008 0.000 0.756 179 E CB 1.801 31.582 29.700 0.135 0.000 1.131 179 E HN 0.781 nan 8.360 nan 0.000 0.411 180 L N 5.659 126.841 121.223 -0.068 0.000 2.313 180 L HA 0.175 4.148 4.340 -0.611 0.000 0.282 180 L C -0.600 176.314 176.870 0.072 0.000 1.092 180 L CA -0.147 54.670 54.840 -0.038 0.000 0.831 180 L CB 0.458 42.412 42.059 -0.175 0.000 1.159 180 L HN 0.571 nan 8.230 nan 0.000 0.442 181 H N 5.296 124.410 119.070 0.073 0.000 3.067 181 H HA 0.433 4.548 4.556 -0.736 0.000 0.265 181 H C 0.033 175.479 175.328 0.196 0.000 1.234 181 H CA 0.159 56.275 56.048 0.113 0.000 1.452 181 H CB 0.620 30.451 29.762 0.116 0.000 1.527 181 H HN 0.711 nan 8.280 nan 0.000 0.486 182 A N 3.947 126.999 122.820 0.388 0.000 2.637 182 A HA 0.626 4.579 4.320 -0.611 0.000 0.293 182 A C 0.615 178.391 177.584 0.321 0.000 1.216 182 A CA 0.267 52.468 52.037 0.272 0.000 0.956 182 A CB -0.052 19.023 19.000 0.125 0.000 1.174 182 A HN 0.669 nan 8.150 nan 0.000 0.525 183 A N -0.614 122.489 122.820 0.471 0.000 2.578 183 A HA 0.625 4.578 4.320 -0.611 0.000 0.255 183 A C 0.302 178.085 177.584 0.331 0.000 1.251 183 A CA -0.443 51.818 52.037 0.372 0.000 0.882 183 A CB 0.172 19.352 19.000 0.300 0.000 1.416 183 A HN 0.373 nan 8.150 nan 0.000 0.462 184 N N -0.618 118.226 118.700 0.240 0.000 2.701 184 N HA -0.202 4.172 4.740 -0.611 0.000 0.250 184 N C 0.843 176.200 175.510 -0.255 0.000 1.046 184 N CA 2.415 55.522 53.050 0.095 0.000 0.733 184 N CB -1.573 37.096 38.487 0.305 0.000 0.973 184 N HN 2.139 nan 8.380 nan 0.000 0.541 185 G N -2.605 106.113 108.800 -0.136 0.000 2.160 185 G HA2 -0.381 3.213 3.960 -0.611 0.000 0.251 185 G HA3 -0.381 3.213 3.960 -0.611 0.000 0.251 185 G C 0.189 174.923 174.900 -0.276 0.000 1.008 185 G CA 0.718 45.705 45.100 -0.187 0.000 0.724 185 G HN 0.585 nan 8.290 nan 0.000 0.514 186 Y N -1.727 118.660 120.300 0.145 0.000 2.421 186 Y HA 0.528 4.725 4.550 -0.587 0.000 0.366 186 Y C 1.856 177.872 175.900 0.193 0.000 1.360 186 Y CA -0.594 57.602 58.100 0.160 0.000 1.663 186 Y CB -0.051 38.499 38.460 0.151 0.000 1.677 186 Y HN 0.043 nan 8.280 nan 0.000 0.584 187 L N 0.757 122.243 121.223 0.438 0.000 1.976 187 L HA -0.299 3.674 4.340 -0.611 0.000 0.223 187 L C 1.818 178.973 176.870 0.474 0.000 1.081 187 L CA 1.964 57.029 54.840 0.375 0.000 0.784 187 L CB -0.966 41.277 42.059 0.307 0.000 0.896 187 L HN 0.678 nan 8.230 nan 0.000 0.438 188 I N -0.664 120.192 120.570 0.476 0.000 2.286 188 I HA -0.273 3.530 4.170 -0.611 0.000 0.248 188 I C 2.244 178.599 176.117 0.397 0.000 1.115 188 I CA 1.301 62.880 61.300 0.466 0.000 1.392 188 I CB -0.641 37.492 38.000 0.222 0.000 1.065 188 I HN 0.454 nan 8.210 nan 0.000 0.418 189 N N 1.262 120.151 118.700 0.314 0.000 2.223 189 N HA -0.214 4.160 4.740 -0.611 0.000 0.185 189 N C 1.817 177.460 175.510 0.222 0.000 1.016 189 N CA 1.470 54.675 53.050 0.258 0.000 0.863 189 N CB -0.033 38.579 38.487 0.208 0.000 0.983 189 N HN 0.439 nan 8.380 nan 0.000 0.429 190 Q N -1.559 118.369 119.800 0.214 0.000 2.364 190 Q HA -0.021 3.952 4.340 -0.611 0.000 0.207 190 Q C 1.199 177.213 176.000 0.022 0.000 0.970 190 Q CA 0.923 56.777 55.803 0.086 0.000 0.888 190 Q CB -0.007 28.743 28.738 0.020 0.000 0.951 190 Q HN 0.383 nan 8.270 nan 0.000 0.469 191 F N -0.721 119.273 119.950 0.074 0.000 2.317 191 F HA 0.041 4.198 4.527 -0.616 0.000 0.290 191 F C 1.799 177.643 175.800 0.074 0.000 1.075 191 F CA 0.375 58.416 58.000 0.067 0.000 1.380 191 F CB 0.066 39.142 39.000 0.127 0.000 1.093 191 F HN -0.019 nan 8.300 nan 0.000 0.524 192 I N -0.333 120.405 120.570 0.280 0.000 2.099 192 I HA -0.232 3.571 4.170 -0.611 0.000 0.239 192 I C 0.126 176.292 176.117 0.081 0.000 1.066 192 I CA 1.067 62.443 61.300 0.127 0.000 1.324 192 I CB -0.512 37.528 38.000 0.066 0.000 1.037 192 I HN -0.084 nan 8.210 nan 0.000 0.401 193 D N 1.092 121.565 120.400 0.122 0.000 2.383 193 D HA 0.019 4.293 4.640 -0.611 0.000 0.252 193 D C 1.406 177.745 176.300 0.065 0.000 1.166 193 D CA 0.270 54.339 54.000 0.114 0.000 0.879 193 D CB 1.293 42.176 40.800 0.140 0.000 1.164 193 D HN 0.188 nan 8.370 nan 0.000 0.462 194 S N 2.827 118.559 115.700 0.053 0.000 2.359 194 S HA -0.241 3.862 4.470 -0.611 0.000 0.223 194 S C 1.265 175.874 174.600 0.016 0.000 1.039 194 S CA 0.879 59.097 58.200 0.030 0.000 1.042 194 S CB -0.153 63.064 63.200 0.028 0.000 0.915 194 S HN 0.418 nan 8.310 nan 0.000 0.439 195 E N 1.670 121.883 120.200 0.021 0.000 2.515 195 E HA 0.232 4.216 4.350 -0.611 0.000 0.201 195 E C 1.442 178.040 176.600 -0.004 0.000 1.071 195 E CA 0.757 57.162 56.400 0.008 0.000 0.880 195 E CB -0.422 29.287 29.700 0.014 0.000 0.828 195 E HN 0.772 nan 8.360 nan 0.000 0.540 196 A N 0.444 123.259 122.820 -0.008 0.000 2.456 196 A HA 0.079 4.033 4.320 -0.611 0.000 0.237 196 A C 0.659 178.194 177.584 -0.081 0.000 1.217 196 A CA -0.298 51.719 52.037 -0.033 0.000 0.962 196 A CB 0.311 19.303 19.000 -0.013 0.000 1.079 196 A HN 0.029 nan 8.150 nan 0.000 0.536 197 N N 1.657 120.316 118.700 -0.069 0.000 2.479 197 N HA 0.174 4.548 4.740 -0.611 0.000 0.261 197 N C -0.779 174.690 175.510 -0.069 0.000 0.979 197 N CA -0.292 52.692 53.050 -0.111 0.000 0.930 197 N CB 0.576 39.017 38.487 -0.075 0.000 1.172 197 N HN 0.482 nan 8.380 nan 0.000 0.499 198 N N 1.984 120.634 118.700 -0.083 0.000 2.416 198 N HA 0.197 4.571 4.740 -0.611 0.000 0.267 198 N C -0.546 174.936 175.510 -0.046 0.000 1.294 198 N CA -0.567 52.453 53.050 -0.050 0.000 0.891 198 N CB 0.714 39.173 38.487 -0.046 0.000 1.238 198 N HN 0.153 nan 8.380 nan 0.000 0.508 199 R N 0.503 120.974 120.500 -0.048 0.000 2.641 199 R HA 0.102 4.076 4.340 -0.611 0.000 0.269 199 R C 0.897 177.204 176.300 0.011 0.000 1.074 199 R CA 0.160 56.249 56.100 -0.020 0.000 1.133 199 R CB 0.814 31.118 30.300 0.007 0.000 1.029 199 R HN 0.347 nan 8.270 nan 0.000 0.488 200 S N -1.014 114.697 115.700 0.018 0.000 2.559 200 S HA -0.001 4.102 4.470 -0.611 0.000 0.226 200 S C 0.298 174.917 174.600 0.032 0.000 1.000 200 S CA -0.450 57.761 58.200 0.019 0.000 0.948 200 S CB -0.058 63.147 63.200 0.009 0.000 0.870 200 S HN 0.692 nan 8.310 nan 0.000 0.497 201 D N 2.359 122.795 120.400 0.060 0.000 2.496 201 D HA 0.079 4.353 4.640 -0.611 0.000 0.283 201 D C 1.105 177.436 176.300 0.052 0.000 1.214 201 D CA -0.425 53.618 54.000 0.072 0.000 1.089 201 D CB 0.050 40.926 40.800 0.127 0.000 1.141 201 D HN 0.354 nan 8.370 nan 0.000 0.580 202 E N -1.368 118.832 120.200 -0.001 0.000 2.472 202 E HA -0.186 3.798 4.350 -0.611 0.000 0.200 202 E C 0.514 176.958 176.600 -0.260 0.000 1.046 202 E CA 0.854 57.159 56.400 -0.159 0.000 0.871 202 E CB -0.576 28.958 29.700 -0.278 0.000 0.806 202 E HN 0.450 nan 8.360 nan 0.000 0.533 203 Y N 0.640 120.997 120.300 0.095 0.000 2.555 203 Y HA 0.409 4.593 4.550 -0.610 0.000 0.259 203 Y C 0.890 176.889 175.900 0.164 0.000 1.179 203 Y CA -0.064 58.138 58.100 0.171 0.000 1.230 203 Y CB 1.385 40.008 38.460 0.272 0.000 1.146 203 Y HN 0.119 nan 8.280 nan 0.000 0.526 204 G N -2.004 106.897 108.800 0.168 0.000 2.695 204 G HA2 0.521 4.115 3.960 -0.611 0.000 0.290 204 G HA3 0.521 4.115 3.960 -0.611 0.000 0.290 204 G C 0.216 175.147 174.900 0.052 0.000 1.410 204 G CA -0.186 44.975 45.100 0.101 0.000 0.844 204 G HN 0.341 nan 8.290 nan 0.000 0.478 205 G N 0.020 108.841 108.800 0.034 0.000 3.226 205 G HA2 -0.025 3.569 3.960 -0.611 0.000 0.270 205 G HA3 -0.025 3.569 3.960 -0.611 0.000 0.270 205 G C 1.177 176.089 174.900 0.019 0.000 1.592 205 G CA 0.858 45.970 45.100 0.020 0.000 1.055 205 G HN 2.360 nan 8.290 nan 0.000 0.582 206 S N 1.057 116.765 115.700 0.014 0.000 2.572 206 S HA 0.403 4.507 4.470 -0.611 0.000 0.267 206 S C 1.517 176.125 174.600 0.014 0.000 1.361 206 S CA 0.616 58.822 58.200 0.010 0.000 1.009 206 S CB 1.330 64.531 63.200 0.002 0.000 0.888 206 S HN 1.761 nan 8.310 nan 0.000 0.553 207 L N 0.824 122.052 121.223 0.009 0.000 2.056 207 L HA 0.012 3.986 4.340 -0.611 0.000 0.207 207 L C 2.578 179.452 176.870 0.006 0.000 1.078 207 L CA 2.225 57.068 54.840 0.006 0.000 0.749 207 L CB -1.249 40.810 42.059 0.001 0.000 0.901 207 L HN 1.010 nan 8.230 nan 0.000 0.433 208 E N -0.736 119.465 120.200 0.002 0.000 2.085 208 E HA -0.264 3.720 4.350 -0.611 0.000 0.194 208 E C 1.736 178.334 176.600 -0.004 0.000 0.994 208 E CA 1.462 57.859 56.400 -0.004 0.000 0.801 208 E CB -0.000 29.693 29.700 -0.012 0.000 0.743 208 E HN 0.555 nan 8.360 nan 0.000 0.453 209 N N 0.429 119.128 118.700 -0.002 0.000 2.216 209 N HA -0.082 4.291 4.740 -0.611 0.000 0.183 209 N C 1.656 177.214 175.510 0.080 0.000 1.017 209 N CA 0.828 53.876 53.050 -0.003 0.000 0.861 209 N CB -0.209 38.277 38.487 -0.002 0.000 0.986 209 N HN 0.147 nan 8.380 nan 0.000 0.428 210 R N 0.173 120.729 120.500 0.093 0.000 2.189 210 R HA 0.093 4.066 4.340 -0.611 0.000 0.223 210 R C 1.389 177.784 176.300 0.159 0.000 1.092 210 R CA 0.594 56.786 56.100 0.153 0.000 0.989 210 R CB -0.066 30.288 30.300 0.091 0.000 0.876 210 R HN 0.237 nan 8.270 nan 0.000 0.457 211 L N -0.460 120.813 121.223 0.084 0.000 2.585 211 L HA 0.112 4.086 4.340 -0.611 0.000 0.226 211 L C 2.328 179.238 176.870 0.066 0.000 1.113 211 L CA 0.026 54.898 54.840 0.053 0.000 0.876 211 L CB -0.128 41.933 42.059 0.004 0.000 1.072 211 L HN 0.092 nan 8.230 nan 0.000 0.468 212 R N 0.422 120.976 120.500 0.090 0.000 2.091 212 R HA -0.239 3.734 4.340 -0.611 0.000 0.238 212 R C 2.276 178.686 176.300 0.184 0.000 1.136 212 R CA 1.853 57.997 56.100 0.072 0.000 0.959 212 R CB -0.270 29.971 30.300 -0.099 0.000 0.856 212 R HN 0.208 nan 8.270 nan 0.000 0.437 213 F N 1.086 121.069 119.950 0.055 0.000 2.134 213 F HA -0.177 3.981 4.527 -0.616 0.000 0.299 213 F C 1.873 177.556 175.800 -0.195 0.000 1.097 213 F CA 1.239 59.131 58.000 -0.179 0.000 1.264 213 F CB -0.506 37.998 39.000 -0.825 0.000 1.001 213 F HN 0.097 nan 8.300 nan 0.000 0.479 214 L N 0.577 121.701 121.223 -0.165 0.000 2.046 214 L HA -0.175 3.799 4.340 -0.611 0.000 0.208 214 L C 2.004 178.710 176.870 -0.274 0.000 1.077 214 L CA 2.450 57.130 54.840 -0.267 0.000 0.747 214 L CB -1.293 40.694 42.059 -0.119 0.000 0.896 214 L HN 0.200 nan 8.230 nan 0.000 0.432 215 D N -0.651 119.673 120.400 -0.127 0.000 2.104 215 D HA -0.233 4.041 4.640 -0.611 0.000 0.194 215 D C 1.999 178.244 176.300 -0.092 0.000 0.994 215 D CA 1.781 55.753 54.000 -0.047 0.000 0.830 215 D CB -0.006 40.834 40.800 0.066 0.000 0.959 215 D HN 0.579 nan 8.370 nan 0.000 0.452 216 E N -0.619 119.522 120.200 -0.098 0.000 2.107 216 E HA -0.089 3.894 4.350 -0.611 0.000 0.191 216 E C 2.326 178.795 176.600 -0.217 0.000 0.982 216 E CA 0.611 56.959 56.400 -0.087 0.000 0.809 216 E CB 0.193 29.902 29.700 0.015 0.000 0.756 216 E HN 0.173 nan 8.360 nan 0.000 0.459 217 V N 0.926 120.581 119.914 -0.431 0.000 2.307 217 V HA -0.222 3.532 4.120 -0.611 0.000 0.245 217 V C 2.325 178.170 176.094 -0.414 0.000 1.045 217 V CA 1.290 63.277 62.300 -0.522 0.000 1.024 217 V CB -0.318 30.967 31.823 -0.896 0.000 0.651 217 V HN 0.130 nan 8.190 nan 0.000 0.449 218 V N 0.393 120.033 119.914 -0.457 0.000 2.343 218 V HA -0.261 3.493 4.120 -0.611 0.000 0.247 218 V C 2.737 178.613 176.094 -0.363 0.000 1.051 218 V CA 1.922 63.932 62.300 -0.483 0.000 1.036 218 V CB -1.226 30.159 31.823 -0.729 0.000 0.654 218 V HN 0.555 nan 8.190 nan 0.000 0.451 219 A N 0.213 122.882 122.820 -0.252 0.000 1.892 219 A HA -0.227 3.727 4.320 -0.611 0.000 0.218 219 A C 2.443 180.011 177.584 -0.026 0.000 1.188 219 A CA 2.525 54.575 52.037 0.023 0.000 0.631 219 A CB -0.897 18.168 19.000 0.108 0.000 0.822 219 A HN 0.599 nan 8.150 nan 0.000 0.447 220 A N -0.491 122.285 122.820 -0.073 0.000 1.902 220 A HA -0.012 3.942 4.320 -0.611 0.000 0.217 220 A C 2.197 179.746 177.584 -0.057 0.000 1.181 220 A CA 1.485 53.491 52.037 -0.051 0.000 0.623 220 A CB -0.618 18.352 19.000 -0.050 0.000 0.818 220 A HN 0.480 nan 8.150 nan 0.000 0.443 221 L N -0.587 120.573 121.223 -0.105 0.000 2.017 221 L HA -0.172 3.802 4.340 -0.611 0.000 0.208 221 L C 2.536 179.359 176.870 -0.077 0.000 1.073 221 L CA 1.172 55.953 54.840 -0.099 0.000 0.745 221 L CB -0.620 41.344 42.059 -0.158 0.000 0.894 221 L HN 0.244 nan 8.230 nan 0.000 0.432 222 V N -0.033 119.838 119.914 -0.071 0.000 2.343 222 V HA -0.315 3.438 4.120 -0.611 0.000 0.247 222 V C 2.187 178.274 176.094 -0.013 0.000 1.051 222 V CA 2.140 64.422 62.300 -0.030 0.000 1.036 222 V CB -0.485 31.351 31.823 0.021 0.000 0.654 222 V HN 0.491 nan 8.190 nan 0.000 0.451 223 D N 0.101 120.497 120.400 -0.007 0.000 2.144 223 D HA -0.147 4.127 4.640 -0.611 0.000 0.199 223 D C 2.069 178.364 176.300 -0.008 0.000 0.984 223 D CA 1.522 55.522 54.000 -0.001 0.000 0.834 223 D CB -0.080 40.721 40.800 0.003 0.000 0.955 223 D HN 0.395 nan 8.370 nan 0.000 0.465 224 A N 0.202 123.013 122.820 -0.015 0.000 1.872 224 A HA 0.025 3.978 4.320 -0.611 0.000 0.214 224 A C 2.208 179.779 177.584 -0.021 0.000 1.187 224 A CA 1.587 53.615 52.037 -0.014 0.000 0.614 224 A CB -0.503 18.489 19.000 -0.014 0.000 0.826 224 A HN 0.513 nan 8.150 nan 0.000 0.442 225 I N -5.616 114.933 120.570 -0.035 0.000 4.338 225 I HA 0.561 4.364 4.170 -0.611 0.000 0.329 225 I C 0.596 176.688 176.117 -0.042 0.000 1.378 225 I CA 0.095 61.368 61.300 -0.044 0.000 1.170 225 I CB 0.337 38.295 38.000 -0.070 0.000 1.206 225 I HN 0.491 nan 8.210 nan 0.000 0.432 226 G N 1.575 110.356 108.800 -0.031 0.000 2.895 226 G HA2 0.007 3.600 3.960 -0.611 0.000 0.686 226 G HA3 0.007 3.600 3.960 -0.611 0.000 0.686 226 G C 0.477 175.365 174.900 -0.019 0.000 1.108 226 G CA -0.314 44.776 45.100 -0.018 0.000 0.761 226 G HN 0.575 nan 8.290 nan 0.000 0.611 227 A N 0.820 123.641 122.820 0.001 0.000 1.972 227 A HA 0.040 3.994 4.320 -0.611 0.000 0.219 227 A C 1.927 179.524 177.584 0.022 0.000 1.169 227 A CA 2.210 54.255 52.037 0.012 0.000 0.635 227 A CB -0.288 18.735 19.000 0.038 0.000 0.810 227 A HN 0.864 nan 8.150 nan 0.000 0.446 228 E N -0.801 119.416 120.200 0.029 0.000 2.472 228 E HA -0.091 3.893 4.350 -0.611 0.000 0.200 228 E C 1.157 177.808 176.600 0.085 0.000 1.046 228 E CA 0.464 56.899 56.400 0.058 0.000 0.871 228 E CB -0.020 29.709 29.700 0.048 0.000 0.806 228 E HN 0.521 nan 8.360 nan 0.000 0.533 229 R N 0.074 120.582 120.500 0.013 0.000 2.543 229 R HA 0.196 4.170 4.340 -0.611 0.000 0.323 229 R C -0.672 175.542 176.300 -0.144 0.000 1.002 229 R CA -0.079 55.972 56.100 -0.081 0.000 1.106 229 R CB 1.450 31.649 30.300 -0.169 0.000 1.280 229 R HN -0.128 nan 8.270 nan 0.000 0.549 230 V N 0.621 120.504 119.914 -0.052 0.000 2.409 230 V HA 0.594 4.348 4.120 -0.611 0.000 0.291 230 V C 0.273 176.245 176.094 -0.204 0.000 1.020 230 V CA -0.791 61.438 62.300 -0.120 0.000 0.848 230 V CB 1.663 33.410 31.823 -0.128 0.000 0.990 230 V HN 0.286 nan 8.190 nan 0.000 0.430 231 G N 3.134 111.711 108.800 -0.372 0.000 2.498 231 G HA2 0.742 4.336 3.960 -0.611 0.000 0.312 231 G HA3 0.742 4.336 3.960 -0.611 0.000 0.312 231 G C -1.525 173.098 174.900 -0.462 0.000 1.230 231 G CA -0.647 43.910 45.100 -0.904 0.000 0.968 231 G HN 0.552 nan 8.290 nan 0.000 0.481 232 V N 0.366 120.079 119.914 -0.335 0.000 2.760 232 V HA 0.582 4.336 4.120 -0.611 0.000 0.309 232 V C -0.236 175.837 176.094 -0.035 0.000 1.077 232 V CA -0.910 61.297 62.300 -0.155 0.000 0.910 232 V CB 2.043 33.759 31.823 -0.178 0.000 1.008 232 V HN 0.807 nan 8.190 nan 0.000 0.424 233 R N 3.550 124.048 120.500 -0.003 0.000 2.445 233 R HA 0.826 4.800 4.340 -0.611 0.000 0.308 233 R C -1.586 174.732 176.300 0.030 0.000 0.961 233 R CA -0.491 55.592 56.100 -0.028 0.000 0.862 233 R CB 1.269 31.465 30.300 -0.173 0.000 1.144 233 R HN 0.695 nan 8.270 nan 0.000 0.447 234 L N 2.022 123.251 121.223 0.010 0.000 2.309 234 L HA 0.740 4.714 4.340 -0.611 0.000 0.261 234 L C -0.573 176.304 176.870 0.013 0.000 1.021 234 L CA -1.135 53.773 54.840 0.113 0.000 0.823 234 L CB 2.273 44.463 42.059 0.218 0.000 1.366 234 L HN 0.731 nan 8.230 nan 0.000 0.423 235 A N 1.212 124.029 122.820 -0.006 0.000 3.082 235 A HA 0.561 4.514 4.320 -0.611 0.000 0.328 235 A C -2.291 175.053 177.584 -0.400 0.000 1.089 235 A CA -1.088 50.882 52.037 -0.112 0.000 0.802 235 A CB 0.379 19.379 19.000 -0.001 0.000 1.138 235 A HN 0.484 nan 8.150 nan 0.000 0.474 236 P HA -0.149 nan 4.420 nan 0.000 0.215 236 P C 1.112 178.135 177.300 -0.462 0.000 1.157 236 P CA 1.213 63.628 63.100 -1.141 0.000 0.868 236 P CB 0.224 31.728 31.700 -0.328 0.000 0.788 237 L N -2.608 118.512 121.223 -0.171 0.000 2.556 237 L HA 0.153 4.126 4.340 -0.611 0.000 0.226 237 L C 1.069 177.920 176.870 -0.033 0.000 1.089 237 L CA 0.087 54.883 54.840 -0.074 0.000 0.864 237 L CB -0.915 41.138 42.059 -0.010 0.000 1.067 237 L HN 0.012 nan 8.230 nan 0.000 0.477 238 T N -2.360 112.178 114.554 -0.025 0.000 2.828 238 T HA 0.268 4.252 4.350 -0.611 0.000 0.290 238 T C 0.857 175.568 174.700 0.018 0.000 1.019 238 T CA 0.265 62.373 62.100 0.013 0.000 1.031 238 T CB 1.460 70.346 68.868 0.030 0.000 1.001 238 T HN 0.233 nan 8.240 nan 0.000 0.531 239 T N -1.758 112.819 114.554 0.038 0.000 3.252 239 T HA 0.122 4.105 4.350 -0.611 0.000 0.295 239 T C 1.368 176.098 174.700 0.049 0.000 0.897 239 T CA -0.317 61.806 62.100 0.038 0.000 0.905 239 T CB -0.249 68.638 68.868 0.032 0.000 1.202 239 T HN 0.323 nan 8.240 nan 0.000 0.592 240 L N 2.723 123.991 121.223 0.076 0.000 2.064 240 L HA -0.024 3.949 4.340 -0.611 0.000 0.216 240 L C 1.487 178.408 176.870 0.084 0.000 1.077 240 L CA 1.941 56.842 54.840 0.101 0.000 0.766 240 L CB -0.930 41.237 42.059 0.180 0.000 0.890 240 L HN 0.425 nan 8.230 nan 0.000 0.435 241 N N -1.322 117.411 118.700 0.054 0.000 2.370 241 N HA 0.170 4.543 4.740 -0.611 0.000 0.198 241 N C 0.960 176.470 175.510 -0.001 0.000 1.156 241 N CA 0.516 53.575 53.050 0.015 0.000 0.839 241 N CB 0.156 38.578 38.487 -0.108 0.000 0.989 241 N HN 0.579 nan 8.380 nan 0.000 0.468 242 G N 0.441 109.250 108.800 0.015 0.000 2.195 242 G HA2 -0.266 3.328 3.960 -0.611 0.000 0.224 242 G HA3 -0.266 3.328 3.960 -0.611 0.000 0.224 242 G C 0.285 175.191 174.900 0.011 0.000 0.990 242 G CA 0.257 45.364 45.100 0.011 0.000 0.639 242 G HN 0.391 nan 8.290 nan 0.000 0.514 243 T N -0.771 113.792 114.554 0.015 0.000 2.771 243 T HA 0.718 4.701 4.350 -0.611 0.000 0.291 243 T C -0.282 174.446 174.700 0.048 0.000 0.954 243 T CA -0.419 61.702 62.100 0.034 0.000 1.045 243 T CB 2.624 71.524 68.868 0.054 0.000 0.917 243 T HN 0.894 nan 8.240 nan 0.000 0.484 244 V N 2.657 122.601 119.914 0.050 0.000 2.709 244 V HA 0.549 4.303 4.120 -0.611 0.000 0.308 244 V C -0.638 175.497 176.094 0.068 0.000 1.062 244 V CA -0.915 61.416 62.300 0.052 0.000 0.901 244 V CB 2.114 33.956 31.823 0.032 0.000 1.003 244 V HN 1.043 nan 8.190 nan 0.000 0.425 245 D N 2.014 122.466 120.400 0.087 0.000 2.272 245 D HA 0.729 5.003 4.640 -0.611 0.000 0.247 245 D C 0.700 177.035 176.300 0.058 0.000 0.990 245 D CA 0.115 54.173 54.000 0.097 0.000 0.931 245 D CB 2.426 43.332 40.800 0.177 0.000 1.195 245 D HN 0.562 nan 8.370 nan 0.000 0.477 246 A N 1.859 124.706 122.820 0.044 0.000 1.975 246 A HA 0.066 4.020 4.320 -0.611 0.000 0.215 246 A C 0.794 178.390 177.584 0.019 0.000 1.170 246 A CA 0.783 52.835 52.037 0.025 0.000 0.656 246 A CB 0.087 19.098 19.000 0.019 0.000 0.821 246 A HN 0.492 nan 8.150 nan 0.000 0.449 247 D N -1.932 118.485 120.400 0.029 0.000 2.656 247 D HA 0.302 4.575 4.640 -0.611 0.000 0.303 247 D C -2.227 174.094 176.300 0.035 0.000 1.199 247 D CA -1.748 52.261 54.000 0.015 0.000 0.797 247 D CB 0.761 41.569 40.800 0.013 0.000 1.170 247 D HN -0.029 nan 8.370 nan 0.000 0.509 248 P HA -0.180 nan 4.420 nan 0.000 0.215 248 P C 1.816 179.142 177.300 0.043 0.000 1.163 248 P CA 0.757 63.926 63.100 0.116 0.000 0.894 248 P CB 0.341 32.027 31.700 -0.023 0.000 0.791 249 I N -1.553 118.888 120.570 -0.215 0.000 2.151 249 I HA -0.208 3.595 4.170 -0.611 0.000 0.243 249 I C 2.283 178.393 176.117 -0.011 0.000 1.080 249 I CA 1.552 62.623 61.300 -0.383 0.000 1.339 249 I CB -1.731 36.061 38.000 -0.346 0.000 1.039 249 I HN 0.003 nan 8.210 nan 0.000 0.409 250 L N 0.576 121.813 121.223 0.023 0.000 2.044 250 L HA -0.119 3.854 4.340 -0.611 0.000 0.205 250 L C 2.493 179.411 176.870 0.080 0.000 1.075 250 L CA 2.015 56.893 54.840 0.064 0.000 0.747 250 L CB -1.087 40.993 42.059 0.035 0.000 0.903 250 L HN 0.138 nan 8.230 nan 0.000 0.435 251 T N -0.959 113.632 114.554 0.063 0.000 2.665 251 T HA -0.237 3.747 4.350 -0.611 0.000 0.268 251 T C 1.691 176.326 174.700 -0.108 0.000 1.035 251 T CA 2.340 64.421 62.100 -0.031 0.000 1.151 251 T CB -0.503 68.325 68.868 -0.068 0.000 0.862 251 T HN 0.390 nan 8.240 nan 0.000 0.438 252 Y N 1.053 121.434 120.300 0.136 0.000 2.457 252 Y HA 0.019 4.201 4.550 -0.613 0.000 0.292 252 Y C 2.898 178.935 175.900 0.230 0.000 1.125 252 Y CA 0.609 58.831 58.100 0.203 0.000 1.254 252 Y CB -0.580 38.069 38.460 0.314 0.000 1.012 252 Y HN 0.156 nan 8.280 nan 0.000 0.555 253 T N -0.357 114.422 114.554 0.375 0.000 2.821 253 T HA -0.153 3.830 4.350 -0.611 0.000 0.267 253 T C 2.234 177.030 174.700 0.160 0.000 1.046 253 T CA 1.168 63.442 62.100 0.291 0.000 1.139 253 T CB -0.422 68.616 68.868 0.282 0.000 0.871 253 T HN 0.421 nan 8.240 nan 0.000 0.454 254 A N 1.554 124.440 122.820 0.109 0.000 1.873 254 A HA 0.202 4.156 4.320 -0.611 0.000 0.215 254 A C 2.661 180.268 177.584 0.039 0.000 1.186 254 A CA 1.728 53.799 52.037 0.057 0.000 0.616 254 A CB -1.157 17.858 19.000 0.025 0.000 0.823 254 A HN 0.483 nan 8.150 nan 0.000 0.442 255 A N -0.024 122.797 122.820 0.001 0.000 1.908 255 A HA 0.083 4.036 4.320 -0.611 0.000 0.218 255 A C 2.503 180.105 177.584 0.031 0.000 1.181 255 A CA 2.325 54.348 52.037 -0.024 0.000 0.627 255 A CB -1.048 17.880 19.000 -0.120 0.000 0.818 255 A HN 1.101 nan 8.150 nan 0.000 0.445 256 A N -0.316 122.548 122.820 0.073 0.000 1.902 256 A HA 0.168 4.121 4.320 -0.611 0.000 0.217 256 A C 2.492 180.160 177.584 0.139 0.000 1.181 256 A CA 2.082 54.169 52.037 0.084 0.000 0.623 256 A CB -0.951 18.117 19.000 0.113 0.000 0.818 256 A HN 1.075 nan 8.150 nan 0.000 0.443 257 A N -0.352 122.539 122.820 0.118 0.000 1.930 257 A HA -0.009 3.944 4.320 -0.611 0.000 0.217 257 A C 2.201 179.844 177.584 0.099 0.000 1.175 257 A CA 1.396 53.498 52.037 0.108 0.000 0.627 257 A CB -0.588 18.459 19.000 0.078 0.000 0.815 257 A HN 0.634 nan 8.150 nan 0.000 0.443 258 L N -0.415 120.859 121.223 0.085 0.000 2.017 258 L HA -0.147 3.827 4.340 -0.611 0.000 0.208 258 L C 2.332 179.303 176.870 0.169 0.000 1.073 258 L CA 1.566 56.463 54.840 0.094 0.000 0.745 258 L CB -0.271 41.832 42.059 0.072 0.000 0.894 258 L HN 0.411 nan 8.230 nan 0.000 0.432 259 L N -0.002 121.306 121.223 0.142 0.000 2.131 259 L HA -0.244 3.729 4.340 -0.611 0.000 0.210 259 L C 2.448 179.469 176.870 0.251 0.000 1.092 259 L CA 1.444 56.375 54.840 0.152 0.000 0.759 259 L CB -0.913 41.135 42.059 -0.018 0.000 0.903 259 L HN 0.500 nan 8.230 nan 0.000 0.435 260 N N 0.822 119.693 118.700 0.284 0.000 2.223 260 N HA -0.198 4.176 4.740 -0.611 0.000 0.185 260 N C 1.680 177.266 175.510 0.126 0.000 1.016 260 N CA 1.103 54.315 53.050 0.269 0.000 0.863 260 N CB 0.166 38.765 38.487 0.188 0.000 0.983 260 N HN 0.415 nan 8.380 nan 0.000 0.429 261 K N -0.533 119.918 120.400 0.084 0.000 2.148 261 K HA -0.116 3.838 4.320 -0.611 0.000 0.204 261 K C 1.406 177.971 176.600 -0.059 0.000 1.050 261 K CA 1.078 57.354 56.287 -0.019 0.000 0.942 261 K CB -0.211 32.239 32.500 -0.083 0.000 0.724 261 K HN 0.375 nan 8.250 nan 0.000 0.446 262 H N 0.153 119.237 119.070 0.023 0.000 2.555 262 H HA 0.179 4.371 4.556 -0.607 0.000 0.269 262 H C -0.061 175.279 175.328 0.021 0.000 0.988 262 H CA 0.183 56.235 56.048 0.007 0.000 1.178 262 H CB 0.327 30.081 29.762 -0.013 0.000 1.373 262 H HN 0.007 nan 8.280 nan 0.000 0.588 263 R N 0.324 120.912 120.500 0.148 0.000 3.525 263 R HA -0.165 3.809 4.340 -0.611 0.000 0.276 263 R C -0.326 176.055 176.300 0.135 0.000 1.116 263 R CA 0.697 56.863 56.100 0.110 0.000 0.745 263 R CB -2.916 27.415 30.300 0.051 0.000 1.185 263 R HN 0.603 nan 8.270 nan 0.000 0.454 264 I N -3.762 116.915 120.570 0.178 0.000 2.872 264 I HA -0.041 3.762 4.170 -0.611 0.000 0.291 264 I C 1.913 178.128 176.117 0.164 0.000 1.216 264 I CA 0.016 61.375 61.300 0.099 0.000 1.424 264 I CB 0.590 38.587 38.000 -0.006 0.000 1.351 264 I HN -0.141 nan 8.210 nan 0.000 0.592 265 V N 5.654 125.620 119.914 0.088 0.000 2.490 265 V HA -0.131 3.622 4.120 -0.611 0.000 0.250 265 V C 0.283 176.533 176.094 0.261 0.000 1.061 265 V CA 1.747 64.133 62.300 0.145 0.000 1.064 265 V CB -0.646 31.268 31.823 0.152 0.000 0.670 265 V HN 0.893 nan 8.190 nan 0.000 0.461 266 Y N -1.809 118.572 120.300 0.136 0.000 2.609 266 Y HA 0.679 4.856 4.550 -0.622 0.000 0.336 266 Y C -1.389 174.432 175.900 -0.132 0.000 1.129 266 Y CA -2.669 55.477 58.100 0.077 0.000 1.040 266 Y CB 1.280 39.691 38.460 -0.081 0.000 1.310 266 Y HN -0.090 nan 8.280 nan 0.000 0.460 267 L N 3.493 124.729 121.223 0.021 0.000 2.356 267 L HA 0.528 4.501 4.340 -0.611 0.000 0.277 267 L C -1.488 175.366 176.870 -0.026 0.000 0.996 267 L CA -0.453 54.218 54.840 -0.282 0.000 0.822 267 L CB 1.395 42.887 42.059 -0.946 0.000 1.256 267 L HN 0.965 nan 8.230 nan 0.000 0.413 268 H N 5.787 124.813 119.070 -0.073 0.000 2.511 268 H HA 0.516 4.713 4.556 -0.598 0.000 0.328 268 H C -1.023 174.164 175.328 -0.235 0.000 1.044 268 H CA -1.079 54.867 56.048 -0.170 0.000 1.212 268 H CB 1.124 30.858 29.762 -0.047 0.000 1.428 268 H HN 0.473 nan 8.280 nan 0.000 0.483 269 I N 4.353 124.812 120.570 -0.185 0.000 2.321 269 I HA 0.199 4.003 4.170 -0.611 0.000 0.291 269 I C 0.293 176.318 176.117 -0.152 0.000 0.998 269 I CA -0.448 60.684 61.300 -0.279 0.000 1.227 269 I CB 0.881 38.526 38.000 -0.592 0.000 1.368 269 I HN 0.638 nan 8.210 nan 0.000 0.466 270 A N 5.803 128.528 122.820 -0.159 0.000 2.415 270 A HA 0.290 4.243 4.320 -0.611 0.000 0.309 270 A C 1.065 178.643 177.584 -0.010 0.000 1.356 270 A CA -0.315 51.652 52.037 -0.116 0.000 0.998 270 A CB -0.044 18.871 19.000 -0.142 0.000 1.145 270 A HN 0.823 nan 8.150 nan 0.000 0.545 271 E N 1.383 121.626 120.200 0.072 0.000 2.230 271 E HA 0.101 4.084 4.350 -0.611 0.000 0.192 271 E C -0.338 176.293 176.600 0.051 0.000 0.987 271 E CA 0.698 57.163 56.400 0.109 0.000 0.841 271 E CB 0.330 30.153 29.700 0.204 0.000 0.783 271 E HN 0.522 nan 8.360 nan 0.000 0.481 272 V N 0.749 120.677 119.914 0.024 0.000 2.841 272 V HA 0.231 3.985 4.120 -0.611 0.000 0.310 272 V C -1.355 174.725 176.094 -0.024 0.000 1.090 272 V CA -0.956 61.349 62.300 0.008 0.000 0.930 272 V CB 2.064 33.886 31.823 -0.003 0.000 1.014 272 V HN -0.071 nan 8.190 nan 0.000 0.425 273 D N 2.393 122.799 120.400 0.010 0.000 2.421 273 D HA 0.509 4.782 4.640 -0.611 0.000 0.254 273 D C -0.128 176.246 176.300 0.124 0.000 1.238 273 D CA 0.062 54.049 54.000 -0.022 0.000 0.919 273 D CB 0.718 41.571 40.800 0.089 0.000 1.152 273 D HN 0.517 nan 8.370 nan 0.000 0.552 274 W N 1.788 123.138 121.300 0.084 0.000 2.432 274 W HA -0.376 3.911 4.660 -0.621 0.000 0.290 274 W C 1.286 177.848 176.519 0.072 0.000 1.736 274 W CA 1.201 58.600 57.345 0.091 0.000 1.810 274 W CB -1.008 28.514 29.460 0.104 0.000 0.925 274 W HN 0.486 nan 8.180 nan 0.000 0.464 275 D N -0.106 120.517 120.400 0.372 0.000 2.368 275 D HA 0.082 4.356 4.640 -0.611 0.000 0.218 275 D C -0.065 176.322 176.300 0.146 0.000 1.112 275 D CA 0.451 54.573 54.000 0.203 0.000 0.834 275 D CB -0.520 40.379 40.800 0.165 0.000 0.953 275 D HN 0.156 nan 8.370 nan 0.000 0.505 276 D N 1.468 121.965 120.400 0.162 0.000 2.494 276 D HA 0.342 4.616 4.640 -0.611 0.000 0.217 276 D C -0.798 175.547 176.300 0.077 0.000 1.153 276 D CA -0.553 53.514 54.000 0.112 0.000 0.954 276 D CB 0.334 41.212 40.800 0.130 0.000 1.034 276 D HN 0.117 nan 8.370 nan 0.000 0.518 277 A N 5.093 127.946 122.820 0.055 0.000 2.802 277 A HA 0.432 4.386 4.320 -0.611 0.000 0.344 277 A C -2.276 175.321 177.584 0.021 0.000 1.215 277 A CA -1.101 50.953 52.037 0.030 0.000 0.821 277 A CB 0.393 19.402 19.000 0.016 0.000 1.099 277 A HN 0.382 nan 8.150 nan 0.000 0.479 278 P HA 0.218 nan 4.420 nan 0.000 0.275 278 P C -0.971 176.341 177.300 0.020 0.000 1.227 278 P CA -0.174 62.938 63.100 0.020 0.000 0.781 278 P CB 0.864 32.576 31.700 0.020 0.000 0.906 279 D N 1.495 121.903 120.400 0.014 0.000 2.472 279 D HA 0.067 4.341 4.640 -0.611 0.000 0.248 279 D C 0.103 176.428 176.300 0.041 0.000 1.174 279 D CA 0.833 54.842 54.000 0.015 0.000 0.883 279 D CB -0.110 40.696 40.800 0.010 0.000 1.149 279 D HN 0.197 nan 8.370 nan 0.000 0.488 280 T N 4.288 118.876 114.554 0.057 0.000 2.929 280 T HA 0.321 4.304 4.350 -0.611 0.000 0.331 280 T C -2.227 172.548 174.700 0.125 0.000 1.120 280 T CA -1.409 60.771 62.100 0.133 0.000 0.973 280 T CB 0.921 69.875 68.868 0.142 0.000 1.036 280 T HN 0.061 nan 8.240 nan 0.000 0.502 281 P HA 0.012 nan 4.420 nan 0.000 0.261 281 P C 1.109 178.489 177.300 0.133 0.000 1.173 281 P CA -0.076 63.099 63.100 0.125 0.000 0.760 281 P CB 0.595 32.373 31.700 0.130 0.000 0.783 282 V N 2.635 122.587 119.914 0.064 0.000 2.490 282 V HA -0.256 3.497 4.120 -0.611 0.000 0.250 282 V C 2.247 178.380 176.094 0.065 0.000 1.061 282 V CA 2.484 64.804 62.300 0.033 0.000 1.064 282 V CB -1.261 30.567 31.823 0.009 0.000 0.670 282 V HN 0.711 nan 8.190 nan 0.000 0.461 283 S N 0.270 116.027 115.700 0.096 0.000 2.382 283 S HA -0.233 3.871 4.470 -0.611 0.000 0.228 283 S C 1.962 176.677 174.600 0.193 0.000 1.027 283 S CA 1.550 59.818 58.200 0.113 0.000 0.991 283 S CB -0.704 62.556 63.200 0.100 0.000 0.823 283 S HN 0.509 nan 8.310 nan 0.000 0.469 284 F N 3.022 123.000 119.950 0.048 0.000 2.146 284 F HA 0.164 4.322 4.527 -0.614 0.000 0.298 284 F C 2.091 177.951 175.800 0.100 0.000 1.096 284 F CA 1.012 59.055 58.000 0.072 0.000 1.275 284 F CB -0.598 38.444 39.000 0.071 0.000 1.008 284 F HN 0.106 nan 8.300 nan 0.000 0.480 285 K N -0.035 120.352 120.400 -0.021 0.000 2.097 285 K HA -0.151 3.803 4.320 -0.611 0.000 0.206 285 K C 2.221 178.805 176.600 -0.026 0.000 1.049 285 K CA 1.489 57.718 56.287 -0.096 0.000 0.933 285 K CB -0.228 32.210 32.500 -0.103 0.000 0.717 285 K HN 0.259 nan 8.250 nan 0.000 0.442 286 R N 0.251 120.760 120.500 0.016 0.000 2.148 286 R HA -0.035 3.939 4.340 -0.611 0.000 0.227 286 R C 2.304 178.631 176.300 0.045 0.000 1.103 286 R CA 0.969 57.087 56.100 0.030 0.000 0.983 286 R CB -0.185 30.135 30.300 0.034 0.000 0.874 286 R HN 0.177 nan 8.270 nan 0.000 0.451 287 A N 1.165 124.027 122.820 0.070 0.000 1.897 287 A HA -0.075 3.879 4.320 -0.611 0.000 0.215 287 A C 2.127 179.752 177.584 0.068 0.000 1.181 287 A CA 0.883 52.979 52.037 0.098 0.000 0.620 287 A CB -0.377 18.737 19.000 0.189 0.000 0.821 287 A HN 0.152 nan 8.150 nan 0.000 0.443 288 L N -1.035 120.181 121.223 -0.012 0.000 2.083 288 L HA -0.168 3.805 4.340 -0.611 0.000 0.209 288 L C 2.715 179.630 176.870 0.075 0.000 1.083 288 L CA 1.591 56.425 54.840 -0.010 0.000 0.752 288 L CB -0.407 41.557 42.059 -0.159 0.000 0.899 288 L HN 0.367 nan 8.230 nan 0.000 0.433 289 R N 0.340 120.879 120.500 0.065 0.000 2.120 289 R HA -0.154 3.819 4.340 -0.611 0.000 0.234 289 R C 2.039 178.367 176.300 0.047 0.000 1.123 289 R CA 1.314 57.457 56.100 0.071 0.000 0.975 289 R CB -0.128 30.203 30.300 0.051 0.000 0.866 289 R HN 0.265 nan 8.270 nan 0.000 0.446 290 E N -0.404 119.825 120.200 0.048 0.000 2.140 290 E HA 0.083 4.067 4.350 -0.611 0.000 0.191 290 E C 1.826 178.453 176.600 0.046 0.000 0.973 290 E CA 1.123 57.544 56.400 0.035 0.000 0.829 290 E CB -0.284 29.439 29.700 0.039 0.000 0.781 290 E HN 0.397 nan 8.360 nan 0.000 0.466 291 A N 0.424 123.292 122.820 0.081 0.000 1.930 291 A HA -0.132 3.822 4.320 -0.611 0.000 0.217 291 A C 0.745 178.414 177.584 0.142 0.000 1.175 291 A CA 0.814 52.913 52.037 0.104 0.000 0.627 291 A CB -0.254 18.821 19.000 0.126 0.000 0.815 291 A HN 0.241 nan 8.150 nan 0.000 0.443 292 Y N 0.250 120.560 120.300 0.017 0.000 2.328 292 Y HA 0.431 4.618 4.550 -0.605 0.000 0.336 292 Y C 0.466 176.372 175.900 0.009 0.000 0.960 292 Y CA -1.166 56.942 58.100 0.013 0.000 1.134 292 Y CB 1.328 39.792 38.460 0.008 0.000 1.166 292 Y HN 0.184 nan 8.280 nan 0.000 0.464 293 Q N 4.141 123.565 119.800 -0.627 0.000 2.280 293 Q HA 0.235 4.209 4.340 -0.611 0.000 0.201 293 Q C 0.762 176.407 176.000 -0.593 0.000 0.890 293 Q CA 0.394 55.916 55.803 -0.468 0.000 0.947 293 Q CB 0.960 29.545 28.738 -0.254 0.000 1.081 293 Q HN 0.920 nan 8.270 nan 0.000 0.502 294 G N 0.414 108.477 108.800 -1.227 0.000 2.630 294 G HA2 0.326 3.920 3.960 -0.611 0.000 0.223 294 G HA3 0.326 3.920 3.960 -0.611 0.000 0.223 294 G C -0.361 174.465 174.900 -0.123 0.000 1.434 294 G CA -0.470 44.295 45.100 -0.558 0.000 1.057 294 G HN 0.051 nan 8.290 nan 0.000 0.570 295 V N 0.708 120.707 119.914 0.142 0.000 2.470 295 V HA 0.240 3.994 4.120 -0.611 0.000 0.276 295 V C 0.186 176.426 176.094 0.244 0.000 1.040 295 V CA 0.018 62.396 62.300 0.131 0.000 1.008 295 V CB 0.793 32.660 31.823 0.072 0.000 0.990 295 V HN 0.351 nan 8.190 nan 0.000 0.477 296 L N 6.778 128.082 121.223 0.135 0.000 2.282 296 L HA 0.589 4.563 4.340 -0.611 0.000 0.288 296 L C -0.478 176.345 176.870 -0.078 0.000 1.033 296 L CA -0.243 54.645 54.840 0.079 0.000 0.807 296 L CB 1.376 43.517 42.059 0.138 0.000 1.209 296 L HN 0.524 nan 8.230 nan 0.000 0.423 297 I N 3.376 123.806 120.570 -0.233 0.000 2.509 297 I HA 0.378 4.182 4.170 -0.611 0.000 0.293 297 I C -1.193 174.731 176.117 -0.321 0.000 1.020 297 I CA -0.658 60.434 61.300 -0.346 0.000 1.088 297 I CB 1.935 39.509 38.000 -0.709 0.000 1.267 297 I HN 0.394 nan 8.210 nan 0.000 0.430 298 Y N 3.470 123.619 120.300 -0.252 0.000 2.499 298 Y HA 0.787 4.972 4.550 -0.608 0.000 0.347 298 Y C 0.000 175.764 175.900 -0.227 0.000 0.987 298 Y CA -0.720 57.291 58.100 -0.148 0.000 1.044 298 Y CB 2.342 40.698 38.460 -0.172 0.000 1.245 298 Y HN 0.596 nan 8.280 nan 0.000 0.461 299 A N 1.297 124.216 122.820 0.165 0.000 2.486 299 A HA 0.850 4.804 4.320 -0.611 0.000 0.300 299 A C -0.519 177.192 177.584 0.212 0.000 1.048 299 A CA -0.288 51.813 52.037 0.107 0.000 0.696 299 A CB 1.543 20.609 19.000 0.111 0.000 1.278 299 A HN 1.412 nan 8.150 nan 0.000 0.405 300 G N 1.610 110.539 108.800 0.215 0.000 2.486 300 G HA2 0.414 4.007 3.960 -0.611 0.000 0.220 300 G HA3 0.414 4.007 3.960 -0.611 0.000 0.220 300 G C -0.038 174.842 174.900 -0.034 0.000 1.313 300 G CA -0.321 44.827 45.100 0.080 0.000 1.187 300 G HN 1.461 nan 8.290 nan 0.000 0.599 301 R N -1.066 119.417 120.500 -0.028 0.000 3.758 301 R HA -0.198 3.775 4.340 -0.611 0.000 0.299 301 R C -0.033 176.180 176.300 -0.146 0.000 1.182 301 R CA 1.038 57.095 56.100 -0.071 0.000 0.809 301 R CB -2.420 27.818 30.300 -0.103 0.000 1.249 301 R HN 0.694 nan 8.270 nan 0.000 0.497 302 Y N 1.216 121.457 120.300 -0.097 0.000 2.304 302 Y HA 0.223 4.404 4.550 -0.616 0.000 0.327 302 Y C 1.539 177.509 175.900 0.116 0.000 1.209 302 Y CA -0.081 57.953 58.100 -0.109 0.000 1.299 302 Y CB 0.855 39.069 38.460 -0.411 0.000 1.249 302 Y HN 0.249 nan 8.280 nan 0.000 0.519 303 N N 0.352 119.241 118.700 0.315 0.000 2.890 303 N HA 0.522 4.895 4.740 -0.611 0.000 0.317 303 N C 0.345 176.078 175.510 0.372 0.000 1.355 303 N CA -0.361 52.884 53.050 0.325 0.000 0.803 303 N CB 0.457 39.027 38.487 0.137 0.000 1.465 303 N HN 0.542 nan 8.380 nan 0.000 0.591 304 A N -0.291 122.645 122.820 0.194 0.000 1.908 304 A HA -0.214 3.740 4.320 -0.611 0.000 0.218 304 A C 1.905 179.567 177.584 0.130 0.000 1.181 304 A CA 1.912 54.031 52.037 0.137 0.000 0.627 304 A CB -1.105 17.911 19.000 0.028 0.000 0.818 304 A HN 0.869 nan 8.150 nan 0.000 0.445 305 E N -0.143 120.113 120.200 0.094 0.000 2.051 305 E HA -0.207 3.776 4.350 -0.611 0.000 0.192 305 E C 1.974 178.624 176.600 0.082 0.000 0.991 305 E CA 1.464 57.903 56.400 0.066 0.000 0.799 305 E CB -0.100 29.623 29.700 0.038 0.000 0.748 305 E HN 0.625 nan 8.360 nan 0.000 0.449 306 K N -0.044 120.422 120.400 0.110 0.000 2.148 306 K HA -0.084 3.870 4.320 -0.611 0.000 0.204 306 K C 2.083 178.828 176.600 0.242 0.000 1.050 306 K CA 0.853 57.215 56.287 0.126 0.000 0.942 306 K CB -0.038 32.488 32.500 0.042 0.000 0.724 306 K HN 0.108 nan 8.250 nan 0.000 0.446 307 A N 1.559 124.539 122.820 0.267 0.000 1.873 307 A HA -0.201 3.752 4.320 -0.611 0.000 0.215 307 A C 2.111 179.715 177.584 0.033 0.000 1.186 307 A CA 1.651 53.755 52.037 0.111 0.000 0.616 307 A CB -0.399 18.714 19.000 0.188 0.000 0.823 307 A HN 0.252 nan 8.150 nan 0.000 0.442 308 E N -0.404 119.831 120.200 0.059 0.000 2.077 308 E HA -0.246 3.738 4.350 -0.611 0.000 0.193 308 E C 2.114 178.720 176.600 0.010 0.000 0.989 308 E CA 1.829 58.242 56.400 0.021 0.000 0.800 308 E CB -0.270 29.450 29.700 0.033 0.000 0.746 308 E HN 0.528 nan 8.360 nan 0.000 0.452 309 Q N -0.281 119.534 119.800 0.026 0.000 2.167 309 Q HA 0.047 4.021 4.340 -0.611 0.000 0.202 309 Q C 1.887 177.885 176.000 -0.004 0.000 0.970 309 Q CA 1.726 57.536 55.803 0.011 0.000 0.855 309 Q CB -0.530 28.218 28.738 0.016 0.000 0.911 309 Q HN 0.356 nan 8.270 nan 0.000 0.438 310 A N -0.279 122.542 122.820 0.001 0.000 1.930 310 A HA -0.092 3.861 4.320 -0.611 0.000 0.217 310 A C 2.032 179.577 177.584 -0.065 0.000 1.175 310 A CA 1.214 53.225 52.037 -0.043 0.000 0.627 310 A CB -0.518 18.448 19.000 -0.056 0.000 0.815 310 A HN 0.431 nan 8.150 nan 0.000 0.443 311 I N -0.118 120.416 120.570 -0.059 0.000 2.233 311 I HA -0.187 3.616 4.170 -0.611 0.000 0.243 311 I C 1.851 177.946 176.117 -0.036 0.000 1.093 311 I CA 0.961 62.227 61.300 -0.055 0.000 1.380 311 I CB -0.387 37.575 38.000 -0.063 0.000 1.067 311 I HN 0.246 nan 8.210 nan 0.000 0.413 312 N N 0.745 119.429 118.700 -0.027 0.000 2.309 312 N HA -0.149 4.225 4.740 -0.611 0.000 0.182 312 N C 1.099 176.598 175.510 -0.019 0.000 1.018 312 N CA 1.107 54.146 53.050 -0.019 0.000 0.876 312 N CB -0.342 38.138 38.487 -0.012 0.000 0.972 312 N HN 0.308 nan 8.380 nan 0.000 0.434 313 D N -0.424 119.962 120.400 -0.022 0.000 2.355 313 D HA 0.105 4.378 4.640 -0.611 0.000 0.218 313 D C 1.161 177.448 176.300 -0.022 0.000 1.004 313 D CA 0.472 54.459 54.000 -0.022 0.000 0.880 313 D CB -0.128 40.656 40.800 -0.027 0.000 0.911 313 D HN 0.323 nan 8.370 nan 0.000 0.528 314 G N 0.458 109.243 108.800 -0.024 0.000 2.136 314 G HA2 -0.289 3.305 3.960 -0.611 0.000 0.242 314 G HA3 -0.289 3.305 3.960 -0.611 0.000 0.242 314 G C 0.995 175.888 174.900 -0.013 0.000 0.989 314 G CA 0.439 45.529 45.100 -0.017 0.000 0.682 314 G HN 0.401 nan 8.290 nan 0.000 0.522 315 L N -0.811 120.393 121.223 -0.032 0.000 2.249 315 L HA 0.557 4.531 4.340 -0.611 0.000 0.207 315 L C 1.535 178.419 176.870 0.024 0.000 1.090 315 L CA 1.224 56.041 54.840 -0.038 0.000 0.802 315 L CB -0.133 41.845 42.059 -0.134 0.000 0.947 315 L HN 0.562 nan 8.230 nan 0.000 0.453 316 A N -1.022 121.795 122.820 -0.004 0.000 2.515 316 A HA 0.452 4.405 4.320 -0.611 0.000 0.296 316 A C -0.541 177.035 177.584 -0.014 0.000 1.094 316 A CA -0.570 51.501 52.037 0.058 0.000 0.718 316 A CB 1.389 20.402 19.000 0.021 0.000 1.307 316 A HN -0.016 nan 8.150 nan 0.000 0.408 317 D N 0.195 120.580 120.400 -0.025 0.000 2.394 317 D HA 0.206 4.480 4.640 -0.611 0.000 0.226 317 D C 0.165 176.395 176.300 -0.117 0.000 0.990 317 D CA 1.297 55.259 54.000 -0.063 0.000 0.902 317 D CB 0.298 41.069 40.800 -0.049 0.000 1.038 317 D HN 0.576 nan 8.370 nan 0.000 0.499 318 M N 0.478 119.981 119.600 -0.162 0.000 2.593 318 M HA 0.403 4.516 4.480 -0.611 0.000 0.290 318 M C -1.332 174.793 176.300 -0.291 0.000 1.244 318 M CA -0.738 54.425 55.300 -0.229 0.000 0.857 318 M CB 3.473 35.899 32.600 -0.290 0.000 1.738 318 M HN -0.325 nan 8.290 nan 0.000 0.461 319 I N 1.035 121.409 120.570 -0.327 0.000 2.533 319 I HA 0.505 4.308 4.170 -0.611 0.000 0.290 319 I C 0.075 175.903 176.117 -0.482 0.000 1.056 319 I CA -0.363 60.623 61.300 -0.524 0.000 1.057 319 I CB 1.753 39.331 38.000 -0.704 0.000 1.240 319 I HN 0.807 nan 8.210 nan 0.000 0.423 320 G N 5.178 113.684 108.800 -0.490 0.000 2.377 320 G HA2 0.636 4.230 3.960 -0.611 0.000 0.299 320 G HA3 0.636 4.230 3.960 -0.611 0.000 0.299 320 G C -1.392 173.272 174.900 -0.394 0.000 1.150 320 G CA -0.203 44.739 45.100 -0.264 0.000 0.847 320 G HN 0.326 nan 8.290 nan 0.000 0.501 321 F N 1.412 121.404 119.950 0.071 0.000 2.496 321 F HA 0.451 4.611 4.527 -0.612 0.000 0.341 321 F C 1.074 176.955 175.800 0.135 0.000 1.134 321 F CA -0.475 57.569 58.000 0.073 0.000 0.968 321 F CB 2.379 41.365 39.000 -0.023 0.000 1.205 321 F HN 0.613 nan 8.300 nan 0.000 0.436 322 G N 2.569 111.474 108.800 0.175 0.000 2.695 322 G HA2 -0.018 3.576 3.960 -0.611 0.000 0.219 322 G HA3 -0.018 3.576 3.960 -0.611 0.000 0.219 322 G C 1.541 176.471 174.900 0.050 0.000 1.295 322 G CA -0.025 45.130 45.100 0.092 0.000 0.882 322 G HN 0.500 nan 8.290 nan 0.000 0.570 323 R N 0.967 121.441 120.500 -0.043 0.000 2.103 323 R HA -0.085 3.889 4.340 -0.611 0.000 0.242 323 R C -0.136 176.155 176.300 -0.016 0.000 1.142 323 R CA 1.843 57.865 56.100 -0.130 0.000 0.960 323 R CB -0.995 29.241 30.300 -0.107 0.000 0.858 323 R HN 0.334 nan 8.270 nan 0.000 0.439 324 P HA -0.135 nan 4.420 nan 0.000 0.220 324 P C 0.734 178.012 177.300 -0.036 0.000 1.148 324 P CA 1.047 64.153 63.100 0.011 0.000 0.803 324 P CB 0.033 31.741 31.700 0.014 0.000 0.782 325 F N -0.744 119.186 119.950 -0.033 0.000 2.325 325 F HA -0.020 4.142 4.527 -0.609 0.000 0.299 325 F C 2.056 177.787 175.800 -0.115 0.000 1.090 325 F CA 0.622 58.584 58.000 -0.064 0.000 1.392 325 F CB -0.747 38.233 39.000 -0.033 0.000 1.053 325 F HN -0.171 nan 8.300 nan 0.000 0.521 326 I N -0.651 119.953 120.570 0.057 0.000 2.179 326 I HA -0.294 3.510 4.170 -0.611 0.000 0.242 326 I C 2.380 178.247 176.117 -0.417 0.000 1.088 326 I CA 1.530 62.787 61.300 -0.072 0.000 1.357 326 I CB -0.674 37.232 38.000 -0.156 0.000 1.051 326 I HN 0.055 nan 8.210 nan 0.000 0.409 327 A N -0.035 122.469 122.820 -0.527 0.000 2.218 327 A HA 0.078 4.032 4.320 -0.611 0.000 0.209 327 A C 0.237 177.620 177.584 -0.335 0.000 1.168 327 A CA 0.361 51.843 52.037 -0.925 0.000 0.804 327 A CB -0.448 18.282 19.000 -0.450 0.000 0.834 327 A HN 0.462 nan 8.150 nan 0.000 0.482 328 N N 0.025 118.642 118.700 -0.139 0.000 2.664 328 N HA 0.262 4.636 4.740 -0.611 0.000 0.257 328 N C -2.394 173.146 175.510 0.050 0.000 1.108 328 N CA -1.292 51.740 53.050 -0.030 0.000 0.822 328 N CB 2.027 40.461 38.487 -0.089 0.000 1.199 328 N HN -0.014 nan 8.380 nan 0.000 0.529 329 P HA -0.154 nan 4.420 nan 0.000 0.218 329 P C -0.156 177.263 177.300 0.197 0.000 1.148 329 P CA 1.414 64.624 63.100 0.184 0.000 0.822 329 P CB 0.176 31.962 31.700 0.142 0.000 0.784 330 D N -0.550 119.917 120.400 0.111 0.000 2.894 330 D HA 0.027 4.301 4.640 -0.611 0.000 0.248 330 D C 1.443 177.730 176.300 -0.022 0.000 1.291 330 D CA -0.657 53.395 54.000 0.086 0.000 0.840 330 D CB -0.602 40.262 40.800 0.108 0.000 1.044 330 D HN -0.022 nan 8.370 nan 0.000 0.484 331 L N 0.901 122.000 121.223 -0.207 0.000 2.013 331 L HA -0.057 3.916 4.340 -0.611 0.000 0.212 331 L C -0.830 175.836 176.870 -0.340 0.000 1.073 331 L CA 2.202 56.768 54.840 -0.457 0.000 0.753 331 L CB -1.283 40.107 42.059 -1.114 0.000 0.890 331 L HN 0.030 nan 8.230 nan 0.000 0.432 332 P HA -0.208 nan 4.420 nan 0.000 0.215 332 P C 1.455 178.812 177.300 0.095 0.000 1.157 332 P CA 1.605 64.722 63.100 0.029 0.000 0.874 332 P CB 0.040 31.847 31.700 0.178 0.000 0.790 333 E N -0.140 120.086 120.200 0.043 0.000 2.077 333 E HA -0.193 3.791 4.350 -0.611 0.000 0.193 333 E C 2.058 178.643 176.600 -0.025 0.000 0.989 333 E CA 1.403 57.825 56.400 0.038 0.000 0.800 333 E CB -0.418 29.352 29.700 0.116 0.000 0.746 333 E HN 0.076 nan 8.360 nan 0.000 0.452 334 R N -0.188 120.299 120.500 -0.022 0.000 2.081 334 R HA -0.066 3.908 4.340 -0.611 0.000 0.235 334 R C 2.576 178.760 176.300 -0.194 0.000 1.131 334 R CA 1.401 57.448 56.100 -0.087 0.000 0.960 334 R CB -0.463 29.801 30.300 -0.060 0.000 0.856 334 R HN 0.264 nan 8.270 nan 0.000 0.436 335 L N 0.112 121.235 121.223 -0.168 0.000 2.046 335 L HA -0.155 3.819 4.340 -0.611 0.000 0.208 335 L C 2.788 179.593 176.870 -0.109 0.000 1.077 335 L CA 1.301 56.053 54.840 -0.146 0.000 0.747 335 L CB -0.386 41.560 42.059 -0.190 0.000 0.896 335 L HN 0.167 nan 8.230 nan 0.000 0.432 336 R N -0.649 119.746 120.500 -0.175 0.000 2.075 336 R HA -0.160 3.813 4.340 -0.611 0.000 0.232 336 R C 2.051 178.032 176.300 -0.532 0.000 1.126 336 R CA 1.530 57.346 56.100 -0.473 0.000 0.963 336 R CB -0.067 29.628 30.300 -1.009 0.000 0.858 336 R HN 0.396 nan 8.270 nan 0.000 0.435 337 H N -1.885 116.839 119.070 -0.577 0.000 2.563 337 H HA 0.258 4.447 4.556 -0.611 0.000 0.264 337 H C 0.791 175.774 175.328 -0.575 0.000 0.957 337 H CA 0.786 56.401 56.048 -0.722 0.000 1.173 337 H CB 1.092 29.962 29.762 -1.486 0.000 1.420 337 H HN 0.505 nan 8.280 nan 0.000 0.551 338 G N 0.074 108.673 108.800 -0.336 0.000 2.160 338 G HA2 -0.310 3.284 3.960 -0.611 0.000 0.244 338 G HA3 -0.310 3.284 3.960 -0.611 0.000 0.244 338 G C -0.274 174.541 174.900 -0.141 0.000 1.022 338 G CA -0.263 44.724 45.100 -0.189 0.000 0.741 338 G HN 0.467 nan 8.290 nan 0.000 0.508 339 Y N 0.801 120.959 120.300 -0.238 0.000 2.379 339 Y HA 0.321 4.503 4.550 -0.612 0.000 0.337 339 Y C -0.879 174.812 175.900 -0.349 0.000 1.238 339 Y CA -1.630 56.177 58.100 -0.488 0.000 1.405 339 Y CB 0.583 38.459 38.460 -0.972 0.000 1.310 339 Y HN 0.101 nan 8.280 nan 0.000 0.569 340 P HA 0.039 nan 4.420 nan 0.000 0.268 340 P C -1.000 176.291 177.300 -0.014 0.000 1.205 340 P CA 0.215 63.302 63.100 -0.022 0.000 0.771 340 P CB 0.906 32.636 31.700 0.050 0.000 0.858 341 L N 2.003 123.226 121.223 -0.000 0.000 2.289 341 L HA 0.498 4.472 4.340 -0.611 0.000 0.285 341 L C 1.061 177.956 176.870 0.042 0.000 1.049 341 L CA -0.968 53.875 54.840 0.005 0.000 0.804 341 L CB 1.223 43.269 42.059 -0.020 0.000 1.195 341 L HN 0.417 nan 8.230 nan 0.000 0.428 342 A N 3.581 126.438 122.820 0.061 0.000 2.366 342 A HA 0.357 4.311 4.320 -0.611 0.000 0.249 342 A C -0.051 177.572 177.584 0.065 0.000 1.084 342 A CA -0.335 51.755 52.037 0.088 0.000 0.794 342 A CB 0.380 19.463 19.000 0.138 0.000 1.034 342 A HN 0.722 nan 8.150 nan 0.000 0.491 343 E N 0.920 121.170 120.200 0.083 0.000 2.207 343 E HA 0.249 4.233 4.350 -0.611 0.000 0.270 343 E C -0.595 176.063 176.600 0.096 0.000 0.927 343 E CA -0.550 55.890 56.400 0.067 0.000 0.799 343 E CB 1.359 31.073 29.700 0.023 0.000 1.172 343 E HN 0.868 nan 8.360 nan 0.000 0.404 344 H N -0.504 118.591 119.070 0.042 0.000 2.603 344 H HA 0.282 4.479 4.556 -0.599 0.000 0.370 344 H C -0.471 174.966 175.328 0.181 0.000 1.225 344 H CA -0.500 55.608 56.048 0.099 0.000 1.410 344 H CB 0.586 30.347 29.762 -0.002 0.000 1.495 344 H HN 0.041 nan 8.280 nan 0.000 0.602 345 V N 4.198 124.259 119.914 0.244 0.000 2.333 345 V HA 0.098 3.851 4.120 -0.611 0.000 0.274 345 V C -1.445 174.758 176.094 0.182 0.000 1.028 345 V CA -1.413 60.952 62.300 0.109 0.000 0.851 345 V CB 1.108 33.007 31.823 0.127 0.000 1.000 345 V HN 0.667 nan 8.190 nan 0.000 0.456 346 P HA -0.188 nan 4.420 nan 0.000 0.216 346 P C 1.577 178.979 177.300 0.170 0.000 1.150 346 P CA 1.643 64.873 63.100 0.217 0.000 0.843 346 P CB 0.269 32.062 31.700 0.154 0.000 0.787 347 A N -0.759 122.136 122.820 0.125 0.000 2.076 347 A HA -0.140 3.814 4.320 -0.611 0.000 0.220 347 A C 1.789 179.441 177.584 0.113 0.000 1.160 347 A CA 2.138 54.247 52.037 0.119 0.000 0.653 347 A CB -1.531 17.521 19.000 0.086 0.000 0.801 347 A HN 0.367 nan 8.150 nan 0.000 0.455 348 T N -3.442 111.170 114.554 0.097 0.000 3.174 348 T HA 0.431 4.414 4.350 -0.611 0.000 0.269 348 T C 1.279 175.984 174.700 0.008 0.000 1.017 348 T CA -0.088 62.048 62.100 0.060 0.000 0.899 348 T CB -0.163 68.728 68.868 0.039 0.000 1.077 348 T HN 0.230 nan 8.240 nan 0.000 0.552 349 L N -0.165 121.023 121.223 -0.058 0.000 2.046 349 L HA 0.213 4.187 4.340 -0.611 0.000 0.208 349 L C 0.114 176.635 176.870 -0.582 0.000 1.077 349 L CA 1.224 55.828 54.840 -0.392 0.000 0.747 349 L CB -0.167 41.495 42.059 -0.663 0.000 0.896 349 L HN 0.320 nan 8.230 nan 0.000 0.432 350 F N -1.193 118.808 119.950 0.085 0.000 2.532 350 F HA 0.613 4.741 4.527 -0.664 0.000 0.321 350 F C 0.857 176.699 175.800 0.070 0.000 1.089 350 F CA -0.539 57.494 58.000 0.055 0.000 0.926 350 F CB 1.261 40.258 39.000 -0.006 0.000 1.168 350 F HN 0.057 nan 8.300 nan 0.000 0.459 351 G N 0.872 109.873 108.800 0.336 0.000 2.750 351 G HA2 0.369 3.963 3.960 -0.611 0.000 0.228 351 G HA3 0.369 3.963 3.960 -0.611 0.000 0.228 351 G C 0.161 175.083 174.900 0.036 0.000 1.367 351 G CA -0.187 45.070 45.100 0.263 0.000 0.871 351 G HN 2.073 nan 8.290 nan 0.000 0.560 352 G N -1.920 106.822 108.800 -0.097 0.000 2.593 352 G HA2 0.477 4.071 3.960 -0.611 0.000 0.237 352 G HA3 0.477 4.071 3.960 -0.611 0.000 0.237 352 G C 1.235 176.066 174.900 -0.116 0.000 1.312 352 G CA 1.073 46.116 45.100 -0.095 0.000 0.896 352 G HN 2.661 nan 8.290 nan 0.000 0.574 353 G N -2.156 106.592 108.800 -0.086 0.000 3.286 353 G HA2 0.609 4.203 3.960 -0.611 0.000 0.166 353 G HA3 0.609 4.203 3.960 -0.611 0.000 0.166 353 G C 0.760 175.616 174.900 -0.075 0.000 1.155 353 G CA 0.865 45.915 45.100 -0.084 0.000 0.871 353 G HN 0.759 nan 8.290 nan 0.000 0.637 354 E N 0.364 120.529 120.200 -0.058 0.000 2.204 354 E HA -0.040 3.943 4.350 -0.611 0.000 0.195 354 E C 0.311 176.874 176.600 -0.062 0.000 0.990 354 E CA 0.549 56.919 56.400 -0.051 0.000 0.821 354 E CB -0.036 29.648 29.700 -0.027 0.000 0.750 354 E HN 0.191 nan 8.360 nan 0.000 0.477 355 K N 0.441 120.800 120.400 -0.069 0.000 2.436 355 K HA 0.108 4.062 4.320 -0.611 0.000 0.282 355 K C 0.686 177.223 176.600 -0.106 0.000 1.044 355 K CA 0.605 56.836 56.287 -0.094 0.000 1.028 355 K CB 0.627 33.082 32.500 -0.075 0.000 0.919 355 K HN 0.273 nan 8.250 nan 0.000 0.474 356 G N 2.258 110.942 108.800 -0.192 0.000 2.143 356 G HA2 -0.251 3.342 3.960 -0.611 0.000 0.249 356 G HA3 -0.251 3.342 3.960 -0.611 0.000 0.249 356 G C 0.181 175.125 174.900 0.075 0.000 0.981 356 G CA 0.375 45.384 45.100 -0.152 0.000 0.665 356 G HN 0.563 nan 8.290 nan 0.000 0.528 357 L N -0.771 120.462 121.223 0.016 0.000 2.775 357 L HA 0.432 4.406 4.340 -0.611 0.000 0.175 357 L C 2.397 179.373 176.870 0.177 0.000 1.110 357 L CA 2.335 57.185 54.840 0.016 0.000 0.862 357 L CB 0.105 42.062 42.059 -0.171 0.000 1.381 357 L HN 0.417 nan 8.230 nan 0.000 0.499 358 T N -3.684 110.926 114.554 0.093 0.000 3.054 358 T HA 0.151 4.135 4.350 -0.611 0.000 0.255 358 T C 0.564 175.317 174.700 0.088 0.000 1.035 358 T CA 0.380 62.557 62.100 0.128 0.000 0.941 358 T CB -0.292 68.619 68.868 0.071 0.000 1.026 358 T HN 0.413 nan 8.240 nan 0.000 0.533 359 D N -0.128 120.282 120.400 0.016 0.000 2.388 359 D HA 0.061 4.335 4.640 -0.611 0.000 0.221 359 D C -0.441 175.829 176.300 -0.050 0.000 1.133 359 D CA -0.722 53.257 54.000 -0.035 0.000 0.831 359 D CB -0.832 39.914 40.800 -0.091 0.000 0.962 359 D HN 0.441 nan 8.370 nan 0.000 0.502 360 Y N 2.250 122.583 120.300 0.055 0.000 2.393 360 Y HA 0.260 4.443 4.550 -0.611 0.000 0.338 360 Y C -1.560 174.373 175.900 0.056 0.000 1.029 360 Y CA -1.825 56.312 58.100 0.062 0.000 1.239 360 Y CB 0.710 39.224 38.460 0.089 0.000 1.170 360 Y HN -0.020 nan 8.280 nan 0.000 0.515 361 P HA 0.086 nan 4.420 nan 0.000 0.274 361 P C -0.319 177.052 177.300 0.118 0.000 1.246 361 P CA -0.461 62.704 63.100 0.109 0.000 0.795 361 P CB 1.039 32.771 31.700 0.052 0.000 1.006 362 T N -1.378 113.226 114.554 0.084 0.000 2.788 362 T HA 0.145 4.129 4.350 -0.611 0.000 0.287 362 T C 0.047 174.795 174.700 0.080 0.000 1.007 362 T CA -0.409 61.748 62.100 0.094 0.000 1.005 362 T CB -0.006 68.905 68.868 0.073 0.000 1.012 362 T HN 0.324 nan 8.240 nan 0.000 0.530 363 Y N 1.526 121.806 120.300 -0.033 0.000 2.511 363 Y HA 0.357 4.540 4.550 -0.611 0.000 0.332 363 Y C 0.197 175.997 175.900 -0.165 0.000 1.177 363 Y CA -0.115 57.917 58.100 -0.114 0.000 1.422 363 Y CB 0.576 38.924 38.460 -0.187 0.000 1.271 363 Y HN 0.776 nan 8.280 nan 0.000 0.550 364 Q N 5.369 124.601 119.800 -0.946 0.000 2.295 364 Q HA 0.611 4.584 4.340 -0.611 0.000 0.259 364 Q C -1.205 174.247 176.000 -0.914 0.000 0.966 364 Q CA -0.446 54.918 55.803 -0.731 0.000 0.763 364 Q CB 1.139 29.668 28.738 -0.350 0.000 1.283 364 Q HN 0.882 nan 8.270 nan 0.000 0.445 365 A N 0.000 122.313 122.820 -0.846 0.000 2.254 365 A HA 0.000 3.954 4.320 -0.611 0.000 0.244 365 A CA 0.000 51.734 52.037 -0.505 0.000 0.836 365 A CB 0.000 18.848 19.000 -0.254 0.000 0.831 365 A HN 0.000 nan 8.150 nan 0.000 0.486