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 2vd6_1_D DATA FIRST_RESID 5 DATA SEQUENCE GDHGSPDSYR SPLASRYASP EMCFVFSDRY KFRTWRQLWL WLAEAEQTLG DATA SEQUENCE LPITDEQIQE MKSNLENIDF KMAAEEEKRL RHDVMAHVHT FGHCCPKAAG DATA SEQUENCE IIHLGATSCY VGDNTDLIIL RNALDLLLPK LARVISRLAD FAKERASLPT DATA SEQUENCE LGFTHFQPAQ LTTVGKRCCL WIQDLCMDLQ NLKRVRDDLR FRGVKGTTGT DATA SEQUENCE QASFLQLFEG DDHKVEQLDK MVTEKAGFKR AFIITGQTYT RKVDIEVLSV DATA SEQUENCE LASLGASVHK ICTDIRLLAN LKEMEEPFXX XXXXXXXXPY KRNPMRSERC DATA SEQUENCE CSLARHLMTL VMDPLQTASV QWFERTLDDS ANRRICLAEA FLTADTILNT DATA SEQUENCE LQNISEGLVV YPKVIERRIR QELPFMATEN IIMAMVKAGG SRQDCHEKIR DATA SEQUENCE VLSQQAASVV KQEGGDNDLI ERIQVDAYFS PIHSQLDHLL DPSSFTGRAS DATA SEQUENCE QQVQRFLEEE VYPLLKPYES VM 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 5 G C 0.000 174.843 174.900 -0.095 0.000 0.946 5 G CA 0.000 45.069 45.100 -0.052 0.000 0.502 6 D N -0.184 120.128 120.400 -0.147 0.000 2.117 6 D HA 0.029 4.670 4.640 0.002 0.000 0.198 6 D C 1.357 177.385 176.300 -0.454 0.000 0.982 6 D CA 1.917 55.732 54.000 -0.308 0.000 0.828 6 D CB -0.324 40.242 40.800 -0.389 0.000 0.967 6 D HN 0.559 nan 8.370 nan 0.000 0.464 7 H N -1.118 117.923 119.070 -0.048 0.000 2.784 7 H HA 0.548 5.105 4.556 0.002 0.000 0.273 7 H C 0.645 175.931 175.328 -0.070 0.000 1.112 7 H CA -0.072 55.938 56.048 -0.064 0.000 1.162 7 H CB 1.228 30.943 29.762 -0.078 0.000 1.586 7 H HN 0.381 nan 8.280 nan 0.000 0.548 8 G N 0.794 109.601 108.800 0.011 0.000 2.661 8 G HA2 -0.202 3.759 3.960 0.002 0.000 0.685 8 G HA3 -0.202 3.759 3.960 0.002 0.000 0.685 8 G C -0.139 174.758 174.900 -0.005 0.000 1.298 8 G CA -0.495 44.601 45.100 -0.006 0.000 0.855 8 G HN 0.487 nan 8.290 nan 0.000 0.560 9 S N 0.629 116.324 115.700 -0.009 0.000 2.576 9 S HA 0.618 5.089 4.470 0.002 0.000 0.276 9 S C -0.436 174.158 174.600 -0.009 0.000 1.339 9 S CA -0.058 58.138 58.200 -0.007 0.000 1.039 9 S CB 1.748 64.945 63.200 -0.004 0.000 0.902 9 S HN 0.746 nan 8.310 nan 0.000 0.516 10 P HA 0.059 nan 4.420 nan 0.000 0.239 10 P C -0.119 177.180 177.300 -0.003 0.000 1.184 10 P CA 0.577 63.669 63.100 -0.013 0.000 0.760 10 P CB -0.114 31.578 31.700 -0.013 0.000 0.884 11 D N -0.873 119.528 120.400 0.003 0.000 2.349 11 D HA 0.026 4.667 4.640 0.002 0.000 0.224 11 D C 0.835 177.149 176.300 0.023 0.000 1.029 11 D CA 0.662 54.668 54.000 0.011 0.000 0.879 11 D CB 0.099 40.904 40.800 0.009 0.000 0.906 11 D HN 0.139 nan 8.370 nan 0.000 0.528 12 S N -1.055 114.660 115.700 0.025 0.000 2.634 12 S HA 0.340 4.811 4.470 0.002 0.000 0.296 12 S C -0.958 173.684 174.600 0.070 0.000 1.104 12 S CA -0.871 57.361 58.200 0.053 0.000 0.920 12 S CB 0.703 63.932 63.200 0.049 0.000 1.111 12 S HN 0.061 nan 8.310 nan 0.000 0.493 13 Y N 2.800 123.095 120.300 -0.009 0.000 2.712 13 Y HA 0.316 4.867 4.550 0.002 0.000 0.333 13 Y C 0.136 176.028 175.900 -0.014 0.000 1.225 13 Y CA 0.741 58.833 58.100 -0.014 0.000 1.499 13 Y CB 0.345 38.797 38.460 -0.012 0.000 1.288 13 Y HN 0.587 nan 8.280 nan 0.000 0.575 14 R N 4.209 124.220 120.500 -0.815 0.000 2.538 14 R HA 0.262 4.603 4.340 0.002 0.000 0.292 14 R C -0.804 174.914 176.300 -0.972 0.000 1.008 14 R CA -0.972 54.709 56.100 -0.699 0.000 0.896 14 R CB 1.832 31.939 30.300 -0.323 0.000 1.187 14 R HN 0.698 nan 8.270 nan 0.000 0.440 15 S N 3.052 118.299 115.700 -0.754 0.000 2.546 15 S HA 0.059 4.530 4.470 0.002 0.000 0.290 15 S C -1.412 173.012 174.600 -0.293 0.000 1.290 15 S CA -1.123 56.825 58.200 -0.420 0.000 1.069 15 S CB 0.582 63.697 63.200 -0.142 0.000 0.846 15 S HN 0.372 nan 8.310 nan 0.000 0.495 16 P HA -0.062 nan 4.420 nan 0.000 0.218 16 P C 1.361 178.547 177.300 -0.189 0.000 1.149 16 P CA 0.939 63.891 63.100 -0.246 0.000 0.817 16 P CB 0.006 31.640 31.700 -0.111 0.000 0.785 17 L N -1.301 119.932 121.223 0.018 0.000 2.127 17 L HA -0.181 4.160 4.340 0.002 0.000 0.211 17 L C 2.371 179.232 176.870 -0.016 0.000 1.089 17 L CA 1.694 56.591 54.840 0.096 0.000 0.757 17 L CB -0.869 41.232 42.059 0.071 0.000 0.899 17 L HN 0.002 nan 8.230 nan 0.000 0.434 18 A N -1.418 121.328 122.820 -0.123 0.000 1.901 18 A HA -0.029 4.292 4.320 0.002 0.000 0.210 18 A C 2.358 179.631 177.584 -0.519 0.000 1.208 18 A CA 1.027 52.954 52.037 -0.182 0.000 0.644 18 A CB -0.218 18.719 19.000 -0.105 0.000 0.863 18 A HN 0.291 nan 8.150 nan 0.000 0.454 19 S N -1.171 114.168 115.700 -0.603 0.000 2.470 19 S HA 0.079 4.550 4.470 0.002 0.000 0.225 19 S C 1.837 176.143 174.600 -0.491 0.000 1.006 19 S CA 1.037 58.777 58.200 -0.767 0.000 0.934 19 S CB 0.103 63.007 63.200 -0.494 0.000 0.778 19 S HN 0.587 nan 8.310 nan 0.000 0.517 20 R N -1.510 118.707 120.500 -0.470 0.000 2.444 20 R HA 0.244 4.585 4.340 0.002 0.000 0.201 20 R C 0.988 177.032 176.300 -0.427 0.000 0.861 20 R CA 0.310 56.080 56.100 -0.551 0.000 1.034 20 R CB 0.268 30.006 30.300 -0.937 0.000 1.347 20 R HN 0.279 nan 8.270 nan 0.000 0.659 21 Y N -0.280 119.966 120.300 -0.090 0.000 2.569 21 Y HA 0.482 5.034 4.550 0.002 0.000 0.278 21 Y C 0.845 176.725 175.900 -0.033 0.000 1.130 21 Y CA -0.149 57.916 58.100 -0.057 0.000 1.280 21 Y CB -0.449 37.977 38.460 -0.057 0.000 1.379 21 Y HN -0.010 nan 8.280 nan 0.000 0.508 22 A N 0.923 123.829 122.820 0.143 0.000 2.332 22 A HA 0.441 4.762 4.320 0.002 0.000 0.258 22 A C 0.579 178.214 177.584 0.085 0.000 1.087 22 A CA 0.006 52.106 52.037 0.104 0.000 0.802 22 A CB -0.263 18.796 19.000 0.099 0.000 1.042 22 A HN 0.354 nan 8.150 nan 0.000 0.489 23 S N 1.269 117.019 115.700 0.083 0.000 2.579 23 S HA 0.266 4.737 4.470 0.002 0.000 0.275 23 S C -1.932 172.720 174.600 0.087 0.000 1.345 23 S CA -0.571 57.673 58.200 0.072 0.000 1.031 23 S CB 0.361 63.598 63.200 0.062 0.000 0.892 23 S HN 0.448 nan 8.310 nan 0.000 0.529 24 P HA -0.088 nan 4.420 nan 0.000 0.218 24 P C 1.016 178.378 177.300 0.104 0.000 1.148 24 P CA 1.215 64.368 63.100 0.088 0.000 0.822 24 P CB 0.009 31.737 31.700 0.048 0.000 0.784 25 E N -1.370 118.875 120.200 0.076 0.000 2.077 25 E HA -0.163 4.188 4.350 0.002 0.000 0.193 25 E C 1.938 178.601 176.600 0.104 0.000 0.989 25 E CA 1.211 57.655 56.400 0.075 0.000 0.800 25 E CB -0.840 28.884 29.700 0.039 0.000 0.746 25 E HN 0.145 nan 8.360 nan 0.000 0.452 26 M N -0.325 119.344 119.600 0.115 0.000 2.200 26 M HA -0.055 4.426 4.480 0.002 0.000 0.265 26 M C 1.815 178.245 176.300 0.217 0.000 1.066 26 M CA 1.192 56.590 55.300 0.164 0.000 1.127 26 M CB -0.250 32.466 32.600 0.192 0.000 1.379 26 M HN 0.177 nan 8.290 nan 0.000 0.420 27 C N -0.234 119.175 119.300 0.183 0.000 2.413 27 C HA -0.168 4.293 4.460 0.002 0.000 0.276 27 C C 2.568 177.654 174.990 0.160 0.000 1.248 27 C CA 1.010 60.137 59.018 0.181 0.000 1.742 27 C CB -1.537 26.304 27.740 0.168 0.000 2.017 27 C HN 0.687 nan 8.230 nan 0.000 0.481 28 F N 1.271 121.222 119.950 0.002 0.000 2.146 28 F HA -0.089 4.439 4.527 0.002 0.000 0.298 28 F C 2.199 177.888 175.800 -0.185 0.000 1.096 28 F CA 1.429 59.393 58.000 -0.060 0.000 1.275 28 F CB -0.496 38.458 39.000 -0.075 0.000 1.008 28 F HN 0.011 nan 8.300 nan 0.000 0.480 29 V N -0.262 119.431 119.914 -0.367 0.000 2.469 29 V HA -0.296 3.825 4.120 0.002 0.000 0.251 29 V C 1.484 177.097 176.094 -0.801 0.000 1.064 29 V CA 1.742 63.565 62.300 -0.795 0.000 1.066 29 V CB -0.837 30.615 31.823 -0.618 0.000 0.667 29 V HN 0.280 nan 8.190 nan 0.000 0.461 30 F N 0.249 120.062 119.950 -0.228 0.000 2.668 30 F HA 0.261 4.789 4.527 0.002 0.000 0.297 30 F C 1.285 176.989 175.800 -0.161 0.000 1.124 30 F CA -0.252 57.658 58.000 -0.150 0.000 1.353 30 F CB -0.164 38.794 39.000 -0.069 0.000 0.992 30 F HN 0.100 nan 8.300 nan 0.000 0.524 31 S N -1.433 114.174 115.700 -0.155 0.000 2.632 31 S HA 0.165 4.635 4.470 0.002 0.000 0.271 31 S C 0.990 175.447 174.600 -0.239 0.000 1.260 31 S CA -0.737 57.367 58.200 -0.160 0.000 1.010 31 S CB 1.319 64.405 63.200 -0.190 0.000 0.965 31 S HN 0.111 nan 8.310 nan 0.000 0.534 32 D N 0.785 121.063 120.400 -0.204 0.000 2.144 32 D HA -0.075 4.566 4.640 0.002 0.000 0.200 32 D C 1.977 178.202 176.300 -0.125 0.000 0.978 32 D CA 1.000 54.824 54.000 -0.292 0.000 0.833 32 D CB -0.284 40.500 40.800 -0.026 0.000 0.961 32 D HN 0.726 nan 8.370 nan 0.000 0.470 33 R N -0.444 120.075 120.500 0.032 0.000 2.083 33 R HA -0.228 4.113 4.340 0.002 0.000 0.237 33 R C 2.320 178.588 176.300 -0.053 0.000 1.137 33 R CA 1.270 57.486 56.100 0.193 0.000 0.951 33 R CB -0.543 29.904 30.300 0.245 0.000 0.851 33 R HN 0.178 nan 8.270 nan 0.000 0.434 34 Y N 1.332 121.369 120.300 -0.438 0.000 2.163 34 Y HA -0.201 4.349 4.550 0.001 0.000 0.288 34 Y C 2.324 177.955 175.900 -0.449 0.000 1.136 34 Y CA 2.134 59.908 58.100 -0.544 0.000 1.147 34 Y CB -0.194 37.709 38.460 -0.928 0.000 0.987 34 Y HN 0.061 nan 8.280 nan 0.000 0.509 35 K N -0.616 119.468 120.400 -0.527 0.000 2.001 35 K HA -0.223 4.098 4.320 0.002 0.000 0.214 35 K C 1.771 177.787 176.600 -0.974 0.000 1.050 35 K CA 2.301 58.116 56.287 -0.787 0.000 0.934 35 K CB -0.541 31.306 32.500 -1.087 0.000 0.718 35 K HN 0.288 nan 8.250 nan 0.000 0.443 36 F N 0.910 120.425 119.950 -0.725 0.000 2.367 36 F HA 0.066 4.594 4.527 0.002 0.000 0.298 36 F C 2.493 178.012 175.800 -0.468 0.000 1.094 36 F CA 0.598 58.102 58.000 -0.828 0.000 1.409 36 F CB -0.439 38.140 39.000 -0.702 0.000 1.064 36 F HN 0.086 nan 8.300 nan 0.000 0.528 37 R N 0.379 120.740 120.500 -0.232 0.000 2.096 37 R HA -0.120 4.221 4.340 0.002 0.000 0.235 37 R C 1.717 177.824 176.300 -0.323 0.000 1.127 37 R CA 1.916 57.874 56.100 -0.236 0.000 0.968 37 R CB -0.692 29.495 30.300 -0.187 0.000 0.861 37 R HN 0.192 nan 8.270 nan 0.000 0.440 38 T N 0.085 114.373 114.554 -0.443 0.000 2.857 38 T HA -0.116 4.235 4.350 0.002 0.000 0.266 38 T C 1.274 175.834 174.700 -0.234 0.000 1.048 38 T CA 1.127 62.982 62.100 -0.408 0.000 1.139 38 T CB -0.253 68.310 68.868 -0.508 0.000 0.874 38 T HN 0.328 nan 8.240 nan 0.000 0.455 39 W N 2.278 123.283 121.300 -0.492 0.000 2.318 39 W HA -0.055 4.606 4.660 0.001 0.000 0.313 39 W C 2.487 178.579 176.519 -0.712 0.000 1.221 39 W CA 0.523 57.452 57.345 -0.694 0.000 1.266 39 W CB -0.901 28.183 29.460 -0.627 0.000 1.150 39 W HN 0.235 nan 8.180 nan 0.000 0.496 40 R N -0.517 119.879 120.500 -0.173 0.000 2.092 40 R HA -0.181 4.160 4.340 0.002 0.000 0.231 40 R C 2.074 178.316 176.300 -0.097 0.000 1.119 40 R CA 1.615 57.629 56.100 -0.144 0.000 0.970 40 R CB -0.709 29.280 30.300 -0.519 0.000 0.864 40 R HN 0.098 nan 8.270 nan 0.000 0.440 41 Q N 1.213 120.829 119.800 -0.306 0.000 2.096 41 Q HA -0.121 4.219 4.340 0.002 0.000 0.204 41 Q C 1.893 177.486 176.000 -0.679 0.000 0.982 41 Q CA 1.571 57.017 55.803 -0.595 0.000 0.850 41 Q CB -0.232 28.026 28.738 -0.800 0.000 0.901 41 Q HN 0.326 nan 8.270 nan 0.000 0.422 42 L N -1.226 119.763 121.223 -0.389 0.000 2.056 42 L HA -0.169 4.172 4.340 0.002 0.000 0.207 42 L C 2.164 179.227 176.870 0.321 0.000 1.078 42 L CA 0.880 55.691 54.840 -0.048 0.000 0.749 42 L CB -0.531 41.334 42.059 -0.324 0.000 0.901 42 L HN 0.400 nan 8.230 nan 0.000 0.433 43 W N -0.304 121.173 121.300 0.296 0.000 2.363 43 W HA -0.180 4.481 4.660 0.002 0.000 0.296 43 W C 2.365 179.070 176.519 0.309 0.000 1.212 43 W CA 0.834 58.415 57.345 0.393 0.000 1.260 43 W CB -0.729 29.003 29.460 0.454 0.000 1.131 43 W HN 0.201 nan 8.180 nan 0.000 0.530 44 L N -0.386 121.086 121.223 0.416 0.000 2.027 44 L HA -0.140 4.201 4.340 0.002 0.000 0.206 44 L C 2.140 179.204 176.870 0.322 0.000 1.074 44 L CA 1.888 56.896 54.840 0.279 0.000 0.745 44 L CB -1.300 40.834 42.059 0.125 0.000 0.898 44 L HN -0.126 nan 8.230 nan 0.000 0.433 45 W N -0.619 120.836 121.300 0.257 0.000 2.363 45 W HA -0.171 4.490 4.660 0.001 0.000 0.296 45 W C 2.474 179.125 176.519 0.220 0.000 1.212 45 W CA 1.141 58.612 57.345 0.211 0.000 1.260 45 W CB -1.091 28.490 29.460 0.201 0.000 1.131 45 W HN 0.276 nan 8.180 nan 0.000 0.530 46 L N 1.120 122.651 121.223 0.512 0.000 2.027 46 L HA -0.074 4.267 4.340 0.002 0.000 0.206 46 L C 2.487 179.502 176.870 0.242 0.000 1.074 46 L CA 2.740 57.771 54.840 0.319 0.000 0.745 46 L CB -1.310 40.891 42.059 0.237 0.000 0.898 46 L HN -0.111 nan 8.230 nan 0.000 0.433 47 A N -0.847 122.129 122.820 0.260 0.000 1.908 47 A HA -0.246 4.075 4.320 0.002 0.000 0.218 47 A C 2.145 179.830 177.584 0.168 0.000 1.181 47 A CA 1.876 54.023 52.037 0.183 0.000 0.627 47 A CB -0.683 18.415 19.000 0.163 0.000 0.818 47 A HN 0.611 nan 8.150 nan 0.000 0.445 48 E N -0.344 119.980 120.200 0.207 0.000 2.023 48 E HA -0.179 4.172 4.350 0.002 0.000 0.196 48 E C 2.383 179.073 176.600 0.151 0.000 1.003 48 E CA 1.218 57.728 56.400 0.183 0.000 0.809 48 E CB -0.328 29.515 29.700 0.237 0.000 0.755 48 E HN 0.617 nan 8.360 nan 0.000 0.449 49 A N 1.250 124.167 122.820 0.163 0.000 1.902 49 A HA -0.247 4.074 4.320 0.002 0.000 0.217 49 A C 1.946 179.615 177.584 0.143 0.000 1.181 49 A CA 1.603 53.712 52.037 0.121 0.000 0.623 49 A CB -0.498 18.565 19.000 0.105 0.000 0.818 49 A HN 0.187 nan 8.150 nan 0.000 0.443 50 E N -0.795 119.507 120.200 0.171 0.000 2.118 50 E HA -0.264 4.087 4.350 0.002 0.000 0.195 50 E C 2.275 178.978 176.600 0.171 0.000 0.992 50 E CA 1.380 57.903 56.400 0.205 0.000 0.804 50 E CB -0.146 29.633 29.700 0.132 0.000 0.741 50 E HN 0.809 nan 8.360 nan 0.000 0.458 51 Q N 0.362 120.237 119.800 0.124 0.000 2.046 51 Q HA -0.150 4.191 4.340 0.002 0.000 0.200 51 Q C 2.024 178.082 176.000 0.096 0.000 0.975 51 Q CA 1.804 57.666 55.803 0.097 0.000 0.836 51 Q CB -0.002 28.784 28.738 0.080 0.000 0.896 51 Q HN 0.164 nan 8.270 nan 0.000 0.428 52 T N 1.684 116.293 114.554 0.091 0.000 2.699 52 T HA -0.157 4.194 4.350 0.002 0.000 0.268 52 T C 1.602 176.343 174.700 0.068 0.000 1.036 52 T CA 1.349 63.489 62.100 0.067 0.000 1.147 52 T CB -0.144 68.754 68.868 0.050 0.000 0.862 52 T HN 0.280 nan 8.240 nan 0.000 0.446 53 L N -0.032 121.254 121.223 0.105 0.000 2.599 53 L HA 0.282 4.623 4.340 0.002 0.000 0.230 53 L C 1.872 178.866 176.870 0.207 0.000 1.141 53 L CA 0.414 55.311 54.840 0.096 0.000 0.877 53 L CB -0.065 42.003 42.059 0.015 0.000 1.009 53 L HN 0.526 nan 8.230 nan 0.000 0.447 54 G N -0.495 108.418 108.800 0.188 0.000 2.192 54 G HA2 -0.192 3.769 3.960 0.002 0.000 0.193 54 G HA3 -0.192 3.769 3.960 0.002 0.000 0.193 54 G C 0.186 175.166 174.900 0.133 0.000 0.999 54 G CA -0.610 44.582 45.100 0.152 0.000 0.659 54 G HN 0.111 nan 8.290 nan 0.000 0.503 55 L N 1.868 123.171 121.223 0.133 0.000 2.452 55 L HA 0.328 4.669 4.340 0.002 0.000 0.267 55 L C -1.221 175.662 176.870 0.021 0.000 1.188 55 L CA -1.522 53.334 54.840 0.028 0.000 0.821 55 L CB 0.443 42.476 42.059 -0.044 0.000 1.102 55 L HN -0.022 nan 8.230 nan 0.000 0.470 56 P HA 0.209 nan 4.420 nan 0.000 0.249 56 P C -0.742 176.553 177.300 -0.010 0.000 1.737 56 P CA 0.411 63.508 63.100 -0.006 0.000 1.128 56 P CB -0.262 31.427 31.700 -0.020 0.000 1.942 57 I N 1.881 122.455 120.570 0.006 0.000 2.466 57 I HA 0.273 4.444 4.170 0.002 0.000 0.289 57 I C 0.913 177.038 176.117 0.014 0.000 1.026 57 I CA -0.679 60.625 61.300 0.007 0.000 1.078 57 I CB 2.558 40.572 38.000 0.024 0.000 1.249 57 I HN 0.081 nan 8.210 nan 0.000 0.429 58 T N -0.532 114.024 114.554 0.004 0.000 2.927 58 T HA 0.268 4.619 4.350 0.002 0.000 0.281 58 T C 0.577 175.286 174.700 0.014 0.000 0.998 58 T CA -0.638 61.466 62.100 0.007 0.000 1.019 58 T CB 1.757 70.623 68.868 -0.004 0.000 1.061 58 T HN 0.431 nan 8.240 nan 0.000 0.518 59 D N 0.291 120.702 120.400 0.018 0.000 2.144 59 D HA -0.115 4.526 4.640 0.002 0.000 0.199 59 D C 2.101 178.411 176.300 0.018 0.000 0.984 59 D CA 1.605 55.620 54.000 0.024 0.000 0.834 59 D CB -0.079 40.735 40.800 0.024 0.000 0.955 59 D HN 0.934 nan 8.370 nan 0.000 0.465 60 E N 0.689 120.892 120.200 0.006 0.000 2.152 60 E HA -0.184 4.167 4.350 0.002 0.000 0.192 60 E C 1.827 178.419 176.600 -0.013 0.000 0.983 60 E CA 0.701 57.099 56.400 -0.003 0.000 0.818 60 E CB -0.341 29.353 29.700 -0.010 0.000 0.758 60 E HN 0.287 nan 8.360 nan 0.000 0.467 61 Q N 0.732 120.520 119.800 -0.020 0.000 2.050 61 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 61 Q C 2.378 178.364 176.000 -0.023 0.000 0.980 61 Q CA 1.661 57.440 55.803 -0.040 0.000 0.840 61 Q CB -0.158 28.553 28.738 -0.044 0.000 0.898 61 Q HN 0.381 nan 8.270 nan 0.000 0.424 62 I N 0.673 121.251 120.570 0.013 0.000 2.179 62 I HA -0.326 3.845 4.170 0.002 0.000 0.242 62 I C 2.411 178.559 176.117 0.052 0.000 1.088 62 I CA 1.301 62.630 61.300 0.049 0.000 1.357 62 I CB -0.228 37.815 38.000 0.070 0.000 1.051 62 I HN 0.266 nan 8.210 nan 0.000 0.409 63 Q N 0.213 120.036 119.800 0.037 0.000 2.112 63 Q HA -0.300 4.041 4.340 0.002 0.000 0.206 63 Q C 2.173 178.194 176.000 0.034 0.000 0.987 63 Q CA 1.972 57.797 55.803 0.038 0.000 0.858 63 Q CB -0.181 28.572 28.738 0.026 0.000 0.905 63 Q HN 0.487 nan 8.270 nan 0.000 0.420 64 E N 0.241 120.446 120.200 0.008 0.000 2.051 64 E HA -0.211 4.140 4.350 0.002 0.000 0.192 64 E C 1.975 178.585 176.600 0.018 0.000 0.991 64 E CA 1.185 57.580 56.400 -0.009 0.000 0.799 64 E CB 0.012 29.677 29.700 -0.060 0.000 0.748 64 E HN 0.340 nan 8.360 nan 0.000 0.449 65 M N 0.273 119.879 119.600 0.010 0.000 2.117 65 M HA -0.169 4.312 4.480 0.002 0.000 0.262 65 M C 2.443 178.892 176.300 0.248 0.000 1.065 65 M CA 1.400 56.778 55.300 0.129 0.000 1.114 65 M CB -0.160 32.516 32.600 0.127 0.000 1.361 65 M HN -0.053 nan 8.290 nan 0.000 0.408 66 K N 0.119 120.608 120.400 0.149 0.000 2.097 66 K HA -0.108 4.213 4.320 0.002 0.000 0.206 66 K C 1.818 178.482 176.600 0.106 0.000 1.049 66 K CA 1.568 57.927 56.287 0.120 0.000 0.933 66 K CB 0.057 32.613 32.500 0.094 0.000 0.717 66 K HN 0.199 nan 8.250 nan 0.000 0.442 67 S N 0.962 116.721 115.700 0.097 0.000 2.474 67 S HA -0.013 4.458 4.470 0.002 0.000 0.235 67 S C 0.864 175.524 174.600 0.101 0.000 0.997 67 S CA 0.755 59.004 58.200 0.082 0.000 0.949 67 S CB -0.032 63.205 63.200 0.061 0.000 0.766 67 S HN 0.356 nan 8.310 nan 0.000 0.517 68 N N 0.584 119.380 118.700 0.159 0.000 2.291 68 N HA 0.314 5.055 4.740 0.002 0.000 0.244 68 N C 0.762 176.373 175.510 0.168 0.000 1.216 68 N CA -0.016 53.147 53.050 0.189 0.000 0.879 68 N CB 0.403 39.050 38.487 0.266 0.000 1.167 68 N HN 0.299 nan 8.380 nan 0.000 0.515 69 L N 0.531 121.815 121.223 0.102 0.000 2.079 69 L HA -0.125 4.216 4.340 0.002 0.000 0.210 69 L C 1.719 178.560 176.870 -0.048 0.000 1.081 69 L CA 1.305 56.136 54.840 -0.015 0.000 0.752 69 L CB -0.001 42.044 42.059 -0.024 0.000 0.896 69 L HN 0.071 nan 8.230 nan 0.000 0.433 70 E N -0.940 119.264 120.200 0.007 0.000 2.472 70 E HA -0.020 4.331 4.350 0.002 0.000 0.196 70 E C 0.399 177.012 176.600 0.021 0.000 1.033 70 E CA 0.024 56.437 56.400 0.022 0.000 0.886 70 E CB -0.141 29.592 29.700 0.055 0.000 0.944 70 E HN 0.237 nan 8.360 nan 0.000 0.492 71 N N 1.682 120.397 118.700 0.024 0.000 3.178 71 N HA 0.059 4.800 4.740 0.002 0.000 0.300 71 N C -0.838 174.655 175.510 -0.028 0.000 1.242 71 N CA 0.041 53.107 53.050 0.026 0.000 1.192 71 N CB -0.628 37.897 38.487 0.063 0.000 1.463 71 N HN 0.025 nan 8.380 nan 0.000 0.539 72 I N 0.462 120.954 120.570 -0.131 0.000 2.304 72 I HA 0.094 4.265 4.170 0.002 0.000 0.291 72 I C 0.320 176.180 176.117 -0.428 0.000 1.018 72 I CA -0.701 60.386 61.300 -0.355 0.000 1.260 72 I CB 0.839 38.451 38.000 -0.646 0.000 1.390 72 I HN 0.107 nan 8.210 nan 0.000 0.475 73 D N 6.745 126.980 120.400 -0.276 0.000 2.453 73 D HA 0.093 4.734 4.640 0.002 0.000 0.223 73 D C 0.816 176.982 176.300 -0.223 0.000 1.183 73 D CA -0.067 53.833 54.000 -0.167 0.000 0.933 73 D CB 0.329 41.075 40.800 -0.089 0.000 1.038 73 D HN 0.297 nan 8.370 nan 0.000 0.513 74 F N 2.136 122.064 119.950 -0.038 0.000 2.216 74 F HA -0.080 4.447 4.527 0.001 0.000 0.300 74 F C 2.458 178.208 175.800 -0.083 0.000 1.085 74 F CA 0.857 58.822 58.000 -0.059 0.000 1.326 74 F CB -0.101 38.901 39.000 0.003 0.000 1.027 74 F HN 0.317 nan 8.300 nan 0.000 0.497 75 K N 0.377 120.838 120.400 0.102 0.000 2.057 75 K HA -0.192 4.129 4.320 0.002 0.000 0.206 75 K C 2.231 178.807 176.600 -0.041 0.000 1.050 75 K CA 1.262 57.568 56.287 0.031 0.000 0.935 75 K CB -0.216 32.300 32.500 0.026 0.000 0.715 75 K HN 0.247 nan 8.250 nan 0.000 0.439 76 M N 0.278 119.826 119.600 -0.087 0.000 2.117 76 M HA -0.142 4.339 4.480 0.002 0.000 0.262 76 M C 1.996 178.189 176.300 -0.178 0.000 1.065 76 M CA 1.780 56.994 55.300 -0.143 0.000 1.114 76 M CB -0.116 32.370 32.600 -0.191 0.000 1.361 76 M HN 0.247 nan 8.290 nan 0.000 0.408 77 A N 0.372 123.041 122.820 -0.252 0.000 1.877 77 A HA -0.087 4.234 4.320 0.002 0.000 0.216 77 A C 2.315 179.767 177.584 -0.221 0.000 1.186 77 A CA 2.009 53.804 52.037 -0.402 0.000 0.620 77 A CB -1.245 17.286 19.000 -0.781 0.000 0.822 77 A HN 0.669 nan 8.150 nan 0.000 0.443 78 A N -0.301 122.452 122.820 -0.111 0.000 1.902 78 A HA -0.173 4.148 4.320 0.002 0.000 0.217 78 A C 1.919 179.478 177.584 -0.043 0.000 1.181 78 A CA 1.690 53.704 52.037 -0.038 0.000 0.623 78 A CB -0.547 18.457 19.000 0.007 0.000 0.818 78 A HN 0.646 nan 8.150 nan 0.000 0.443 79 E N -0.464 119.700 120.200 -0.059 0.000 2.051 79 E HA -0.185 4.166 4.350 0.002 0.000 0.192 79 E C 2.054 178.613 176.600 -0.067 0.000 0.991 79 E CA 1.189 57.556 56.400 -0.056 0.000 0.799 79 E CB -0.130 29.532 29.700 -0.064 0.000 0.748 79 E HN 0.515 nan 8.360 nan 0.000 0.449 80 E N 0.646 120.788 120.200 -0.098 0.000 2.077 80 E HA -0.210 4.141 4.350 0.002 0.000 0.193 80 E C 1.960 178.508 176.600 -0.087 0.000 0.989 80 E CA 0.836 57.166 56.400 -0.116 0.000 0.800 80 E CB -0.082 29.528 29.700 -0.151 0.000 0.746 80 E HN 0.339 nan 8.360 nan 0.000 0.452 81 E N 0.773 120.940 120.200 -0.055 0.000 2.106 81 E HA -0.199 4.152 4.350 0.002 0.000 0.192 81 E C 1.935 178.539 176.600 0.007 0.000 0.984 81 E CA 1.042 57.444 56.400 0.003 0.000 0.806 81 E CB 0.135 29.856 29.700 0.036 0.000 0.750 81 E HN -0.101 nan 8.360 nan 0.000 0.458 82 K N 0.806 121.202 120.400 -0.007 0.000 2.057 82 K HA -0.143 4.178 4.320 0.002 0.000 0.207 82 K C 2.166 178.761 176.600 -0.009 0.000 1.049 82 K CA 1.362 57.648 56.287 -0.002 0.000 0.931 82 K CB -0.103 32.393 32.500 -0.006 0.000 0.714 82 K HN -0.009 nan 8.250 nan 0.000 0.440 83 R N -0.183 120.300 120.500 -0.027 0.000 2.062 83 R HA -0.008 4.333 4.340 0.002 0.000 0.231 83 R C 1.886 178.169 176.300 -0.029 0.000 1.136 83 R CA 1.522 57.602 56.100 -0.033 0.000 0.948 83 R CB -0.163 30.103 30.300 -0.056 0.000 0.845 83 R HN 0.172 nan 8.270 nan 0.000 0.430 84 L N 0.120 121.320 121.223 -0.038 0.000 2.446 84 L HA 0.167 4.508 4.340 0.002 0.000 0.219 84 L C 0.554 177.455 176.870 0.052 0.000 1.116 84 L CA 0.173 55.002 54.840 -0.019 0.000 0.844 84 L CB -0.022 41.995 42.059 -0.069 0.000 0.970 84 L HN 0.207 nan 8.230 nan 0.000 0.457 85 R N 0.032 120.562 120.500 0.050 0.000 3.405 85 R HA -0.224 4.117 4.340 0.002 0.000 0.258 85 R C -0.199 176.172 176.300 0.120 0.000 1.030 85 R CA 0.481 56.621 56.100 0.067 0.000 0.691 85 R CB -2.065 28.266 30.300 0.051 0.000 1.093 85 R HN 0.361 nan 8.270 nan 0.000 0.448 86 H N -0.050 119.044 119.070 0.041 0.000 3.096 86 H HA 0.036 4.593 4.556 0.002 0.000 0.335 86 H C 0.394 175.797 175.328 0.125 0.000 0.990 86 H CA -0.438 55.655 56.048 0.075 0.000 1.393 86 H CB 1.114 30.909 29.762 0.054 0.000 1.742 86 H HN 0.169 nan 8.280 nan 0.000 0.501 87 D N 3.572 124.075 120.400 0.172 0.000 2.123 87 D HA -0.121 4.520 4.640 0.002 0.000 0.200 87 D C 1.656 178.324 176.300 0.613 0.000 0.976 87 D CA 0.713 54.936 54.000 0.372 0.000 0.831 87 D CB -0.183 40.854 40.800 0.395 0.000 0.974 87 D HN 0.269 nan 8.370 nan 0.000 0.469 88 V N 0.657 120.907 119.914 0.560 0.000 2.307 88 V HA -0.202 3.919 4.120 0.002 0.000 0.245 88 V C 2.601 178.959 176.094 0.440 0.000 1.045 88 V CA 1.497 64.067 62.300 0.450 0.000 1.024 88 V CB -0.478 31.429 31.823 0.140 0.000 0.651 88 V HN 0.138 nan 8.190 nan 0.000 0.449 89 M N -0.019 119.816 119.600 0.391 0.000 2.229 89 M HA -0.066 4.415 4.480 0.002 0.000 0.264 89 M C 2.399 178.814 176.300 0.192 0.000 1.063 89 M CA 1.904 57.296 55.300 0.153 0.000 1.114 89 M CB -1.645 30.891 32.600 -0.107 0.000 1.387 89 M HN 0.397 nan 8.290 nan 0.000 0.420 90 A N -0.499 122.420 122.820 0.166 0.000 1.908 90 A HA -0.208 4.113 4.320 0.002 0.000 0.218 90 A C 2.080 179.692 177.584 0.046 0.000 1.181 90 A CA 1.642 53.697 52.037 0.031 0.000 0.627 90 A CB -1.019 17.988 19.000 0.011 0.000 0.818 90 A HN 0.530 nan 8.150 nan 0.000 0.445 91 H N -1.198 118.011 119.070 0.232 0.000 2.470 91 H HA 0.007 4.564 4.556 0.002 0.000 0.289 91 H C 2.273 177.741 175.328 0.234 0.000 1.033 91 H CA 1.352 57.563 56.048 0.273 0.000 1.331 91 H CB 0.004 30.071 29.762 0.509 0.000 1.414 91 H HN 0.316 nan 8.280 nan 0.000 0.545 92 V N 0.754 120.788 119.914 0.200 0.000 2.287 92 V HA -0.278 3.843 4.120 0.002 0.000 0.248 92 V C 2.110 178.177 176.094 -0.045 0.000 1.053 92 V CA 1.959 64.147 62.300 -0.186 0.000 1.027 92 V CB -0.561 31.115 31.823 -0.244 0.000 0.646 92 V HN 0.426 nan 8.190 nan 0.000 0.447 93 H N 0.005 119.041 119.070 -0.056 0.000 2.353 93 H HA -0.103 4.453 4.556 0.002 0.000 0.300 93 H C 2.465 177.788 175.328 -0.008 0.000 1.090 93 H CA 2.030 58.052 56.048 -0.043 0.000 1.327 93 H CB -0.649 29.088 29.762 -0.042 0.000 1.383 93 H HN 0.369 nan 8.280 nan 0.000 0.508 94 T N 0.689 115.309 114.554 0.111 0.000 2.777 94 T HA -0.142 4.209 4.350 0.002 0.000 0.266 94 T C 1.730 176.534 174.700 0.173 0.000 1.040 94 T CA 1.023 63.153 62.100 0.051 0.000 1.141 94 T CB -0.411 68.383 68.868 -0.124 0.000 0.868 94 T HN 0.175 nan 8.240 nan 0.000 0.444 95 F N 2.287 122.235 119.950 -0.002 0.000 2.134 95 F HA 0.084 4.612 4.527 0.002 0.000 0.299 95 F C 2.400 178.177 175.800 -0.038 0.000 1.097 95 F CA 0.812 58.812 58.000 -0.000 0.000 1.264 95 F CB -1.057 37.937 39.000 -0.011 0.000 1.001 95 F HN 0.190 nan 8.300 nan 0.000 0.479 96 G N -1.428 107.333 108.800 -0.066 0.000 2.484 96 G HA2 -0.251 3.710 3.960 0.002 0.000 0.218 96 G HA3 -0.251 3.710 3.960 0.002 0.000 0.218 96 G C 1.809 176.661 174.900 -0.081 0.000 1.130 96 G CA 0.745 45.736 45.100 -0.182 0.000 0.784 96 G HN 0.502 nan 8.290 nan 0.000 0.543 97 H N 0.687 119.718 119.070 -0.065 0.000 2.326 97 H HA -0.143 4.414 4.556 0.002 0.000 0.301 97 H C 2.532 177.838 175.328 -0.036 0.000 1.081 97 H CA 1.861 57.884 56.048 -0.042 0.000 1.334 97 H CB -0.265 29.488 29.762 -0.015 0.000 1.385 97 H HN 0.417 nan 8.280 nan 0.000 0.504 98 C N -0.078 119.258 119.300 0.061 0.000 2.539 98 C HA 0.302 4.763 4.460 0.002 0.000 0.268 98 C C 1.320 176.276 174.990 -0.056 0.000 1.395 98 C CA -0.523 58.504 59.018 0.015 0.000 1.757 98 C CB -1.379 26.439 27.740 0.130 0.000 1.851 98 C HN 0.497 nan 8.230 nan 0.000 0.545 99 C N 2.446 121.666 119.300 -0.133 0.000 3.075 99 C HA 0.356 4.817 4.460 0.002 0.000 0.262 99 C C -0.637 174.226 174.990 -0.211 0.000 1.371 99 C CA -0.820 58.072 59.018 -0.211 0.000 1.594 99 C CB -0.263 27.227 27.740 -0.416 0.000 1.849 99 C HN 0.507 nan 8.230 nan 0.000 0.475 100 P HA -0.161 nan 4.420 nan 0.000 0.215 100 P C 1.346 178.563 177.300 -0.140 0.000 1.153 100 P CA 1.614 64.619 63.100 -0.158 0.000 0.853 100 P CB 0.278 31.890 31.700 -0.148 0.000 0.788 101 K N -0.090 120.236 120.400 -0.124 0.000 2.097 101 K HA -0.032 4.289 4.320 0.002 0.000 0.206 101 K C 2.205 178.732 176.600 -0.122 0.000 1.049 101 K CA 1.522 57.746 56.287 -0.104 0.000 0.933 101 K CB -0.432 32.019 32.500 -0.081 0.000 0.717 101 K HN 0.074 nan 8.250 nan 0.000 0.442 102 A N 0.968 123.690 122.820 -0.164 0.000 2.178 102 A HA 0.206 4.527 4.320 0.002 0.000 0.211 102 A C 2.202 179.649 177.584 -0.227 0.000 1.157 102 A CA 0.862 52.783 52.037 -0.193 0.000 0.780 102 A CB -0.253 18.595 19.000 -0.254 0.000 0.828 102 A HN 0.252 nan 8.150 nan 0.000 0.476 103 A N 0.156 122.839 122.820 -0.228 0.000 1.903 103 A HA -0.071 4.250 4.320 0.002 0.000 0.219 103 A C 2.334 179.791 177.584 -0.211 0.000 1.191 103 A CA 2.119 54.013 52.037 -0.238 0.000 0.638 103 A CB -1.371 17.510 19.000 -0.197 0.000 0.823 103 A HN 0.793 nan 8.150 nan 0.000 0.451 104 G N -0.183 108.519 108.800 -0.163 0.000 2.471 104 G HA2 0.016 3.977 3.960 0.002 0.000 0.219 104 G HA3 0.016 3.977 3.960 0.002 0.000 0.219 104 G C 1.185 176.009 174.900 -0.128 0.000 1.125 104 G CA 1.275 46.292 45.100 -0.137 0.000 0.775 104 G HN 0.936 nan 8.290 nan 0.000 0.548 105 I N -1.834 118.660 120.570 -0.128 0.000 4.057 105 I HA 0.414 4.585 4.170 0.002 0.000 0.334 105 I C 0.581 176.641 176.117 -0.095 0.000 1.308 105 I CA -1.500 59.742 61.300 -0.097 0.000 1.125 105 I CB -0.017 37.944 38.000 -0.066 0.000 1.034 105 I HN -0.134 nan 8.210 nan 0.000 0.401 106 I N 3.287 123.755 120.570 -0.170 0.000 2.683 106 I HA -0.056 4.115 4.170 0.002 0.000 0.286 106 I C 1.207 177.232 176.117 -0.154 0.000 1.175 106 I CA 0.696 61.856 61.300 -0.233 0.000 1.429 106 I CB -0.289 37.442 38.000 -0.449 0.000 1.371 106 I HN 0.492 nan 8.210 nan 0.000 0.569 107 H N 3.126 122.076 119.070 -0.201 0.000 3.080 107 H HA -0.172 4.385 4.556 0.001 0.000 0.254 107 H C -0.003 175.336 175.328 0.018 0.000 1.179 107 H CA -0.248 55.824 56.048 0.040 0.000 1.144 107 H CB -0.349 29.391 29.762 -0.036 0.000 1.261 107 H HN 0.417 nan 8.280 nan 0.000 0.333 108 L N 1.461 122.671 121.223 -0.021 0.000 2.654 108 L HA 0.167 4.508 4.340 0.002 0.000 0.271 108 L C 1.473 178.229 176.870 -0.190 0.000 1.169 108 L CA 2.060 56.835 54.840 -0.107 0.000 0.947 108 L CB -0.081 41.935 42.059 -0.072 0.000 1.232 108 L HN 0.495 nan 8.230 nan 0.000 0.486 109 G N 2.864 111.437 108.800 -0.378 0.000 2.199 109 G HA2 -0.196 3.765 3.960 0.002 0.000 0.254 109 G HA3 -0.196 3.765 3.960 0.002 0.000 0.254 109 G C 0.399 174.709 174.900 -0.984 0.000 0.982 109 G CA 0.213 44.843 45.100 -0.783 0.000 0.632 109 G HN 1.188 nan 8.290 nan 0.000 0.529 110 A N -0.426 122.041 122.820 -0.588 0.000 2.279 110 A HA 0.851 5.172 4.320 0.002 0.000 0.303 110 A C 0.469 177.805 177.584 -0.413 0.000 1.108 110 A CA 0.968 52.762 52.037 -0.405 0.000 0.830 110 A CB 1.155 19.935 19.000 -0.366 0.000 1.106 110 A HN 1.022 nan 8.150 nan 0.000 0.493 111 T N -0.513 114.011 114.554 -0.051 0.000 2.936 111 T HA 0.354 4.705 4.350 0.002 0.000 0.282 111 T C 1.541 176.443 174.700 0.337 0.000 1.003 111 T CA 0.195 62.362 62.100 0.111 0.000 1.005 111 T CB 0.905 69.826 68.868 0.089 0.000 1.097 111 T HN 0.579 nan 8.240 nan 0.000 0.532 112 S N 0.836 116.734 115.700 0.331 0.000 2.374 112 S HA -0.146 4.325 4.470 0.002 0.000 0.227 112 S C 2.250 176.899 174.600 0.082 0.000 1.037 112 S CA 1.386 59.740 58.200 0.256 0.000 1.024 112 S CB -0.604 62.737 63.200 0.234 0.000 0.861 112 S HN 0.815 nan 8.310 nan 0.000 0.456 113 C N 0.608 119.950 119.300 0.070 0.000 2.422 113 C HA -0.029 4.432 4.460 0.002 0.000 0.286 113 C C 2.232 177.204 174.990 -0.030 0.000 1.412 113 C CA 0.047 59.055 59.018 -0.017 0.000 1.786 113 C CB -1.703 26.029 27.740 -0.013 0.000 1.835 113 C HN 0.698 nan 8.230 nan 0.000 0.533 114 Y N 2.266 122.554 120.300 -0.019 0.000 2.151 114 Y HA -0.227 4.324 4.550 0.001 0.000 0.284 114 Y C 2.337 178.131 175.900 -0.177 0.000 1.166 114 Y CA 2.470 60.548 58.100 -0.037 0.000 1.163 114 Y CB -0.327 38.193 38.460 0.100 0.000 0.974 114 Y HN 0.289 nan 8.280 nan 0.000 0.511 115 V N -2.254 117.352 119.914 -0.513 0.000 2.575 115 V HA 0.208 4.329 4.120 0.002 0.000 0.242 115 V C 2.352 177.991 176.094 -0.759 0.000 1.045 115 V CA 1.328 63.069 62.300 -0.931 0.000 1.065 115 V CB -1.443 29.479 31.823 -1.502 0.000 0.717 115 V HN 0.357 nan 8.190 nan 0.000 0.467 116 G N 0.437 108.876 108.800 -0.601 0.000 2.480 116 G HA2 -0.258 3.703 3.960 0.002 0.000 0.216 116 G HA3 -0.258 3.703 3.960 0.002 0.000 0.216 116 G C 1.177 176.042 174.900 -0.058 0.000 1.200 116 G CA 1.369 46.337 45.100 -0.219 0.000 0.782 116 G HN 0.522 nan 8.290 nan 0.000 0.554 117 D N 0.216 120.564 120.400 -0.086 0.000 2.123 117 D HA -0.039 4.601 4.640 0.002 0.000 0.200 117 D C 2.442 178.745 176.300 0.004 0.000 0.976 117 D CA 0.499 54.525 54.000 0.043 0.000 0.831 117 D CB -0.135 40.684 40.800 0.032 0.000 0.974 117 D HN 0.116 nan 8.370 nan 0.000 0.469 118 N N -0.320 118.244 118.700 -0.227 0.000 2.188 118 N HA -0.071 4.670 4.740 0.002 0.000 0.184 118 N C 1.648 177.113 175.510 -0.075 0.000 1.018 118 N CA 0.914 53.746 53.050 -0.364 0.000 0.858 118 N CB -0.237 37.860 38.487 -0.651 0.000 0.989 118 N HN 0.153 nan 8.380 nan 0.000 0.426 119 T N 1.477 115.997 114.554 -0.057 0.000 2.777 119 T HA -0.089 4.262 4.350 0.002 0.000 0.266 119 T C 1.182 175.924 174.700 0.070 0.000 1.040 119 T CA 0.991 63.115 62.100 0.039 0.000 1.141 119 T CB -0.187 68.753 68.868 0.121 0.000 0.868 119 T HN 0.170 nan 8.240 nan 0.000 0.444 120 D N 1.148 121.604 120.400 0.093 0.000 2.123 120 D HA -0.029 4.612 4.640 0.002 0.000 0.196 120 D C 2.128 178.493 176.300 0.108 0.000 0.992 120 D CA 0.809 54.886 54.000 0.129 0.000 0.833 120 D CB -0.330 40.604 40.800 0.224 0.000 0.954 120 D HN 0.322 nan 8.370 nan 0.000 0.455 121 L N 0.361 121.629 121.223 0.074 0.000 2.083 121 L HA -0.117 4.224 4.340 0.002 0.000 0.209 121 L C 2.545 179.578 176.870 0.272 0.000 1.083 121 L CA 0.605 55.483 54.840 0.063 0.000 0.752 121 L CB -0.248 41.738 42.059 -0.121 0.000 0.899 121 L HN 0.010 nan 8.230 nan 0.000 0.433 122 I N -0.238 120.509 120.570 0.296 0.000 2.226 122 I HA -0.316 3.855 4.170 0.002 0.000 0.245 122 I C 2.399 178.608 176.117 0.153 0.000 1.100 122 I CA 1.503 63.007 61.300 0.340 0.000 1.374 122 I CB -0.149 38.047 38.000 0.326 0.000 1.057 122 I HN 0.171 nan 8.210 nan 0.000 0.413 123 I N 0.307 120.908 120.570 0.052 0.000 2.202 123 I HA -0.298 3.873 4.170 0.002 0.000 0.242 123 I C 2.433 178.375 176.117 -0.292 0.000 1.091 123 I CA 1.408 62.602 61.300 -0.177 0.000 1.368 123 I CB -0.242 37.581 38.000 -0.294 0.000 1.058 123 I HN 0.186 nan 8.210 nan 0.000 0.410 124 L N 0.069 121.206 121.223 -0.143 0.000 2.017 124 L HA -0.234 4.107 4.340 0.002 0.000 0.208 124 L C 2.789 179.579 176.870 -0.133 0.000 1.073 124 L CA 1.438 56.176 54.840 -0.170 0.000 0.745 124 L CB -0.582 41.510 42.059 0.055 0.000 0.894 124 L HN 0.197 nan 8.230 nan 0.000 0.432 125 R N 0.084 120.580 120.500 -0.007 0.000 2.073 125 R HA -0.153 4.188 4.340 0.002 0.000 0.234 125 R C 2.181 178.439 176.300 -0.070 0.000 1.134 125 R CA 1.608 57.699 56.100 -0.016 0.000 0.952 125 R CB -0.074 30.207 30.300 -0.032 0.000 0.850 125 R HN 0.368 nan 8.270 nan 0.000 0.433 126 N N 0.459 119.103 118.700 -0.094 0.000 2.166 126 N HA -0.147 4.594 4.740 0.002 0.000 0.186 126 N C 1.518 176.934 175.510 -0.156 0.000 1.019 126 N CA 1.513 54.493 53.050 -0.117 0.000 0.856 126 N CB -0.374 38.032 38.487 -0.135 0.000 0.993 126 N HN 0.287 nan 8.380 nan 0.000 0.426 127 A N 1.038 123.691 122.820 -0.280 0.000 1.902 127 A HA -0.044 4.277 4.320 0.002 0.000 0.217 127 A C 2.364 179.926 177.584 -0.036 0.000 1.181 127 A CA 0.907 52.769 52.037 -0.292 0.000 0.623 127 A CB -0.767 17.734 19.000 -0.831 0.000 0.818 127 A HN 0.221 nan 8.150 nan 0.000 0.443 128 L N -0.442 120.790 121.223 0.015 0.000 2.083 128 L HA -0.205 4.136 4.340 0.002 0.000 0.209 128 L C 1.942 178.880 176.870 0.114 0.000 1.083 128 L CA 1.421 56.379 54.840 0.197 0.000 0.752 128 L CB -0.605 41.565 42.059 0.184 0.000 0.899 128 L HN 0.294 nan 8.230 nan 0.000 0.433 129 D N -0.124 120.304 120.400 0.047 0.000 2.219 129 D HA -0.117 4.524 4.640 0.002 0.000 0.205 129 D C 2.349 178.683 176.300 0.056 0.000 0.970 129 D CA 1.011 55.038 54.000 0.045 0.000 0.851 129 D CB 0.022 40.824 40.800 0.002 0.000 0.943 129 D HN 0.299 nan 8.370 nan 0.000 0.488 130 L N -0.062 121.190 121.223 0.047 0.000 2.072 130 L HA -0.050 4.291 4.340 0.002 0.000 0.205 130 L C 2.451 179.368 176.870 0.077 0.000 1.079 130 L CA 0.476 55.350 54.840 0.056 0.000 0.752 130 L CB -0.207 41.882 42.059 0.050 0.000 0.906 130 L HN 0.025 nan 8.230 nan 0.000 0.436 131 L N -0.591 120.700 121.223 0.112 0.000 2.093 131 L HA -0.214 4.127 4.340 0.002 0.000 0.208 131 L C 2.519 179.415 176.870 0.044 0.000 1.085 131 L CA 1.041 55.941 54.840 0.099 0.000 0.755 131 L CB -0.397 41.755 42.059 0.156 0.000 0.904 131 L HN 0.257 nan 8.230 nan 0.000 0.435 132 L N 0.120 121.379 121.223 0.059 0.000 1.989 132 L HA -0.171 4.170 4.340 0.002 0.000 0.211 132 L C -0.137 176.642 176.870 -0.152 0.000 1.071 132 L CA 1.717 56.565 54.840 0.013 0.000 0.749 132 L CB -1.682 40.464 42.059 0.144 0.000 0.890 132 L HN 0.243 nan 8.230 nan 0.000 0.431 133 P HA -0.145 nan 4.420 nan 0.000 0.221 133 P C 1.124 178.355 177.300 -0.115 0.000 1.150 133 P CA 1.341 64.375 63.100 -0.110 0.000 0.800 133 P CB -0.012 31.750 31.700 0.103 0.000 0.787 134 K N -0.615 119.750 120.400 -0.058 0.000 2.057 134 K HA -0.105 4.216 4.320 0.002 0.000 0.206 134 K C 2.107 178.663 176.600 -0.073 0.000 1.050 134 K CA 0.880 57.141 56.287 -0.044 0.000 0.935 134 K CB -0.696 31.798 32.500 -0.010 0.000 0.715 134 K HN 0.066 nan 8.250 nan 0.000 0.439 135 L N 1.192 122.357 121.223 -0.097 0.000 2.056 135 L HA -0.044 4.297 4.340 0.002 0.000 0.207 135 L C 2.205 178.987 176.870 -0.146 0.000 1.078 135 L CA 1.630 56.410 54.840 -0.100 0.000 0.749 135 L CB -0.754 41.254 42.059 -0.085 0.000 0.901 135 L HN 0.108 nan 8.230 nan 0.000 0.433 136 A N -0.493 122.154 122.820 -0.289 0.000 1.940 136 A HA -0.275 4.045 4.320 0.002 0.000 0.219 136 A C 2.552 180.044 177.584 -0.153 0.000 1.176 136 A CA 2.004 53.832 52.037 -0.349 0.000 0.631 136 A CB -0.626 17.856 19.000 -0.864 0.000 0.814 136 A HN 0.496 nan 8.150 nan 0.000 0.446 137 R N -0.755 119.677 120.500 -0.114 0.000 2.073 137 R HA -0.036 4.305 4.340 0.002 0.000 0.229 137 R C 1.996 178.283 176.300 -0.021 0.000 1.120 137 R CA 1.367 57.442 56.100 -0.042 0.000 0.967 137 R CB -0.298 29.984 30.300 -0.029 0.000 0.862 137 R HN 0.332 nan 8.270 nan 0.000 0.436 138 V N 1.161 121.056 119.914 -0.032 0.000 2.295 138 V HA -0.276 3.845 4.120 0.002 0.000 0.246 138 V C 2.249 178.352 176.094 0.015 0.000 1.049 138 V CA 1.877 64.168 62.300 -0.015 0.000 1.024 138 V CB -0.343 31.462 31.823 -0.029 0.000 0.648 138 V HN 0.327 nan 8.190 nan 0.000 0.447 139 I N -0.108 120.467 120.570 0.008 0.000 2.208 139 I HA -0.256 3.915 4.170 0.002 0.000 0.245 139 I C 2.717 178.876 176.117 0.071 0.000 1.097 139 I CA 1.898 63.225 61.300 0.044 0.000 1.363 139 I CB -0.434 37.576 38.000 0.017 0.000 1.051 139 I HN 0.318 nan 8.210 nan 0.000 0.413 140 S N 0.495 116.228 115.700 0.055 0.000 2.368 140 S HA -0.138 4.333 4.470 0.002 0.000 0.224 140 S C 2.264 176.923 174.600 0.097 0.000 1.029 140 S CA 1.072 59.323 58.200 0.085 0.000 0.988 140 S CB -0.097 63.140 63.200 0.062 0.000 0.838 140 S HN 0.258 nan 8.310 nan 0.000 0.462 141 R N 0.817 121.361 120.500 0.074 0.000 2.075 141 R HA 0.063 4.404 4.340 0.002 0.000 0.232 141 R C 2.338 178.714 176.300 0.127 0.000 1.126 141 R CA 1.041 57.189 56.100 0.080 0.000 0.963 141 R CB -1.179 29.145 30.300 0.040 0.000 0.858 141 R HN 0.455 nan 8.270 nan 0.000 0.435 142 L N 0.359 121.659 121.223 0.128 0.000 2.141 142 L HA -0.097 4.244 4.340 0.002 0.000 0.209 142 L C 2.601 179.623 176.870 0.253 0.000 1.094 142 L CA 1.128 56.088 54.840 0.200 0.000 0.763 142 L CB -0.590 41.589 42.059 0.200 0.000 0.908 142 L HN 0.154 nan 8.230 nan 0.000 0.437 143 A N -0.180 122.758 122.820 0.195 0.000 1.930 143 A HA -0.200 4.121 4.320 0.002 0.000 0.217 143 A C 1.888 179.589 177.584 0.195 0.000 1.175 143 A CA 1.714 53.863 52.037 0.187 0.000 0.627 143 A CB -0.374 18.733 19.000 0.178 0.000 0.815 143 A HN 0.331 nan 8.150 nan 0.000 0.443 144 D N -0.933 119.581 120.400 0.190 0.000 2.097 144 D HA -0.135 4.506 4.640 0.002 0.000 0.195 144 D C 1.616 178.020 176.300 0.174 0.000 0.989 144 D CA 1.232 55.329 54.000 0.162 0.000 0.827 144 D CB -0.490 40.391 40.800 0.136 0.000 0.966 144 D HN 0.464 nan 8.370 nan 0.000 0.456 145 F N 1.796 121.784 119.950 0.063 0.000 2.102 145 F HA -0.163 4.365 4.527 0.001 0.000 0.298 145 F C 2.250 178.074 175.800 0.041 0.000 1.105 145 F CA 1.604 59.635 58.000 0.051 0.000 1.239 145 F CB -0.312 38.728 39.000 0.067 0.000 0.991 145 F HN -0.062 nan 8.300 nan 0.000 0.474 146 A N 0.128 123.039 122.820 0.151 0.000 1.908 146 A HA -0.275 4.046 4.320 0.002 0.000 0.218 146 A C 2.328 179.885 177.584 -0.045 0.000 1.181 146 A CA 2.080 54.132 52.037 0.024 0.000 0.627 146 A CB -0.915 18.154 19.000 0.115 0.000 0.818 146 A HN 0.486 nan 8.150 nan 0.000 0.445 147 K N -0.437 119.972 120.400 0.015 0.000 2.025 147 K HA -0.194 4.127 4.320 0.002 0.000 0.207 147 K C 2.158 178.730 176.600 -0.047 0.000 1.049 147 K CA 1.559 57.853 56.287 0.012 0.000 0.933 147 K CB -0.211 32.335 32.500 0.077 0.000 0.714 147 K HN 0.633 nan 8.250 nan 0.000 0.438 148 E N 0.191 120.345 120.200 -0.076 0.000 2.097 148 E HA -0.201 4.150 4.350 0.002 0.000 0.196 148 E C 1.020 177.505 176.600 -0.192 0.000 1.000 148 E CA 1.088 57.417 56.400 -0.118 0.000 0.804 148 E CB 0.228 29.856 29.700 -0.120 0.000 0.740 148 E HN 0.140 nan 8.360 nan 0.000 0.454 149 R N -0.523 119.786 120.500 -0.320 0.000 2.466 149 R HA 0.246 4.587 4.340 0.002 0.000 0.279 149 R C 1.337 177.508 176.300 -0.214 0.000 0.976 149 R CA 0.557 56.453 56.100 -0.339 0.000 1.081 149 R CB 0.466 30.380 30.300 -0.643 0.000 1.215 149 R HN 0.153 nan 8.270 nan 0.000 0.546 150 A N 0.474 123.206 122.820 -0.147 0.000 2.019 150 A HA -0.074 4.247 4.320 0.002 0.000 0.219 150 A C 1.744 179.281 177.584 -0.080 0.000 1.164 150 A CA 1.466 53.444 52.037 -0.098 0.000 0.644 150 A CB 0.049 19.015 19.000 -0.058 0.000 0.805 150 A HN 0.167 nan 8.150 nan 0.000 0.449 151 S N -1.238 114.417 115.700 -0.075 0.000 2.540 151 S HA 0.219 4.690 4.470 0.002 0.000 0.218 151 S C 0.207 174.773 174.600 -0.056 0.000 0.977 151 S CA -0.479 57.687 58.200 -0.056 0.000 0.918 151 S CB -0.081 63.093 63.200 -0.043 0.000 0.806 151 S HN 0.398 nan 8.310 nan 0.000 0.496 152 L N 4.484 125.663 121.223 -0.074 0.000 2.407 152 L HA 0.363 4.704 4.340 0.002 0.000 0.282 152 L C -2.866 173.976 176.870 -0.047 0.000 1.110 152 L CA -2.218 52.586 54.840 -0.061 0.000 0.863 152 L CB -0.141 41.870 42.059 -0.080 0.000 1.207 152 L HN -0.151 nan 8.230 nan 0.000 0.454 153 P HA 0.190 nan 4.420 nan 0.000 0.268 153 P C -0.842 176.440 177.300 -0.029 0.000 1.205 153 P CA -0.060 63.025 63.100 -0.026 0.000 0.771 153 P CB 0.818 32.512 31.700 -0.010 0.000 0.858 154 T N 2.234 116.762 114.554 -0.043 0.000 2.894 154 T HA 0.380 4.731 4.350 0.002 0.000 0.309 154 T C -1.179 173.455 174.700 -0.110 0.000 1.208 154 T CA -0.703 61.368 62.100 -0.049 0.000 1.016 154 T CB 0.463 69.321 68.868 -0.016 0.000 1.192 154 T HN 0.154 nan 8.240 nan 0.000 0.491 155 L N 3.945 125.066 121.223 -0.170 0.000 2.513 155 L HA 0.566 4.907 4.340 0.002 0.000 0.272 155 L C 0.910 177.477 176.870 -0.504 0.000 1.187 155 L CA 0.574 55.212 54.840 -0.338 0.000 0.895 155 L CB 0.026 41.832 42.059 -0.423 0.000 1.147 155 L HN 0.749 nan 8.230 nan 0.000 0.483 156 G N 4.041 112.609 108.800 -0.387 0.000 2.539 156 G HA2 0.407 4.368 3.960 0.002 0.000 0.258 156 G HA3 0.407 4.368 3.960 0.002 0.000 0.258 156 G C -1.179 173.462 174.900 -0.432 0.000 1.202 156 G CA -0.367 44.560 45.100 -0.288 0.000 0.851 156 G HN 0.458 nan 8.290 nan 0.000 0.556 157 F N 0.231 120.246 119.950 0.109 0.000 2.536 157 F HA 0.490 5.018 4.527 0.001 0.000 0.322 157 F C 0.431 176.315 175.800 0.139 0.000 1.144 157 F CA -0.830 57.273 58.000 0.170 0.000 0.924 157 F CB 2.512 41.698 39.000 0.309 0.000 1.181 157 F HN 0.563 nan 8.300 nan 0.000 0.438 158 T N -0.629 114.130 114.554 0.341 0.000 2.881 158 T HA 0.375 4.726 4.350 0.002 0.000 0.290 158 T C -0.180 174.717 174.700 0.327 0.000 1.000 158 T CA -0.527 61.709 62.100 0.227 0.000 0.978 158 T CB 1.254 70.214 68.868 0.153 0.000 0.997 158 T HN 0.819 nan 8.240 nan 0.000 0.443 159 H N 1.017 120.181 119.070 0.157 0.000 3.211 159 H HA -0.184 4.373 4.556 0.002 0.000 0.240 159 H C 0.281 175.745 175.328 0.228 0.000 1.148 159 H CA 0.996 57.131 56.048 0.144 0.000 1.160 159 H CB -1.246 28.577 29.762 0.101 0.000 1.232 159 H HN 0.869 nan 8.280 nan 0.000 0.321 160 F N 0.262 120.296 119.950 0.140 0.000 3.067 160 F HA -0.261 4.267 4.527 0.002 0.000 0.279 160 F C -0.133 175.731 175.800 0.106 0.000 0.945 160 F CA 1.093 59.098 58.000 0.008 0.000 0.948 160 F CB -0.861 38.062 39.000 -0.128 0.000 0.898 160 F HN 0.325 nan 8.300 nan 0.000 0.746 161 Q N 0.338 120.363 119.800 0.374 0.000 2.413 161 Q HA 0.499 4.840 4.340 0.002 0.000 0.276 161 Q C -2.386 173.827 176.000 0.355 0.000 1.099 161 Q CA -2.010 53.944 55.803 0.251 0.000 0.814 161 Q CB 1.763 30.582 28.738 0.135 0.000 1.379 161 Q HN -0.055 nan 8.270 nan 0.000 0.436 162 P HA 0.087 nan 4.420 nan 0.000 0.261 162 P C -1.247 176.065 177.300 0.020 0.000 1.183 162 P CA 0.556 63.683 63.100 0.045 0.000 0.761 162 P CB 0.433 32.149 31.700 0.027 0.000 0.785 163 A N 2.886 125.676 122.820 -0.051 0.000 2.564 163 A HA 0.432 4.753 4.320 0.002 0.000 0.288 163 A C -0.720 176.834 177.584 -0.050 0.000 1.164 163 A CA -0.694 51.338 52.037 -0.008 0.000 0.712 163 A CB 0.833 19.862 19.000 0.048 0.000 1.303 163 A HN 0.386 nan 8.150 nan 0.000 0.418 164 Q N 0.883 120.679 119.800 -0.006 0.000 2.549 164 Q HA -0.047 4.294 4.340 0.002 0.000 0.347 164 Q C -0.252 175.731 176.000 -0.027 0.000 1.081 164 Q CA 0.702 56.509 55.803 0.006 0.000 1.093 164 Q CB -0.091 28.670 28.738 0.038 0.000 1.067 164 Q HN 0.541 nan 8.270 nan 0.000 0.398 165 L N 2.082 123.292 121.223 -0.022 0.000 2.525 165 L HA -0.021 4.320 4.340 0.002 0.000 0.278 165 L C 1.099 177.951 176.870 -0.030 0.000 1.218 165 L CA 0.588 55.401 54.840 -0.044 0.000 0.878 165 L CB -0.014 42.039 42.059 -0.010 0.000 1.127 165 L HN 0.632 nan 8.230 nan 0.000 0.492 166 T N 1.110 115.628 114.554 -0.060 0.000 2.819 166 T HA 0.583 4.934 4.350 0.002 0.000 0.271 166 T C -0.148 174.517 174.700 -0.060 0.000 0.986 166 T CA -0.166 61.899 62.100 -0.058 0.000 0.989 166 T CB 1.693 70.517 68.868 -0.073 0.000 1.396 166 T HN 0.805 nan 8.240 nan 0.000 0.597 167 T N -0.917 113.593 114.554 -0.074 0.000 2.942 167 T HA 0.519 4.870 4.350 0.002 0.000 0.289 167 T C 1.313 175.952 174.700 -0.100 0.000 1.044 167 T CA -0.650 61.404 62.100 -0.078 0.000 1.023 167 T CB 1.109 69.930 68.868 -0.078 0.000 1.123 167 T HN 0.231 nan 8.240 nan 0.000 0.512 168 V N 1.778 121.635 119.914 -0.096 0.000 2.332 168 V HA -0.032 4.089 4.120 0.002 0.000 0.248 168 V C 2.818 178.819 176.094 -0.155 0.000 1.055 168 V CA 2.558 64.800 62.300 -0.097 0.000 1.038 168 V CB -1.378 30.396 31.823 -0.082 0.000 0.651 168 V HN 1.112 nan 8.190 nan 0.000 0.450 169 G N -0.167 108.522 108.800 -0.185 0.000 2.402 169 G HA2 -0.301 3.660 3.960 0.002 0.000 0.216 169 G HA3 -0.301 3.660 3.960 0.002 0.000 0.216 169 G C 1.574 176.388 174.900 -0.143 0.000 1.162 169 G CA 1.101 46.101 45.100 -0.166 0.000 0.777 169 G HN 0.481 nan 8.290 nan 0.000 0.539 170 K N 0.947 121.258 120.400 -0.148 0.000 2.026 170 K HA -0.048 4.273 4.320 0.002 0.000 0.208 170 K C 2.406 178.856 176.600 -0.250 0.000 1.048 170 K CA 1.508 57.694 56.287 -0.168 0.000 0.929 170 K CB -0.461 31.958 32.500 -0.135 0.000 0.713 170 K HN 0.255 nan 8.250 nan 0.000 0.439 171 R N -0.320 120.009 120.500 -0.285 0.000 2.105 171 R HA -0.160 4.181 4.340 0.002 0.000 0.239 171 R C 2.347 178.157 176.300 -0.817 0.000 1.135 171 R CA 1.801 57.630 56.100 -0.452 0.000 0.967 171 R CB -0.872 29.196 30.300 -0.387 0.000 0.861 171 R HN 0.454 nan 8.270 nan 0.000 0.442 172 C N -0.026 118.880 119.300 -0.656 0.000 2.422 172 C HA -0.080 4.381 4.460 0.002 0.000 0.279 172 C C 2.754 177.597 174.990 -0.245 0.000 1.305 172 C CA 0.741 59.419 59.018 -0.566 0.000 1.757 172 C CB -1.190 26.540 27.740 -0.016 0.000 1.962 172 C HN 0.768 nan 8.230 nan 0.000 0.499 173 C N 0.121 119.294 119.300 -0.213 0.000 2.432 173 C HA -0.033 4.428 4.460 0.002 0.000 0.280 173 C C 2.339 177.162 174.990 -0.278 0.000 1.353 173 C CA 0.551 59.458 59.018 -0.184 0.000 1.766 173 C CB -1.531 25.998 27.740 -0.353 0.000 1.924 173 C HN 0.580 nan 8.230 nan 0.000 0.509 174 L N -0.126 120.916 121.223 -0.300 0.000 2.012 174 L HA -0.131 4.210 4.340 0.002 0.000 0.210 174 L C 2.399 179.300 176.870 0.052 0.000 1.073 174 L CA 1.818 56.554 54.840 -0.174 0.000 0.748 174 L CB -1.037 40.919 42.059 -0.172 0.000 0.891 174 L HN 0.445 nan 8.230 nan 0.000 0.431 175 W N -0.295 121.000 121.300 -0.008 0.000 2.355 175 W HA -0.083 4.578 4.660 0.001 0.000 0.309 175 W C 2.550 179.095 176.519 0.042 0.000 1.206 175 W CA 0.423 57.774 57.345 0.011 0.000 1.284 175 W CB -1.274 28.194 29.460 0.013 0.000 1.145 175 W HN 0.131 nan 8.180 nan 0.000 0.502 176 I N 0.356 121.107 120.570 0.302 0.000 2.163 176 I HA -0.368 3.803 4.170 0.002 0.000 0.243 176 I C 2.689 178.980 176.117 0.290 0.000 1.085 176 I CA 2.000 63.471 61.300 0.285 0.000 1.347 176 I CB -0.806 37.409 38.000 0.358 0.000 1.044 176 I HN 0.020 nan 8.210 nan 0.000 0.408 177 Q N 0.970 120.950 119.800 0.300 0.000 2.077 177 Q HA -0.292 4.049 4.340 0.002 0.000 0.206 177 Q C 1.728 177.829 176.000 0.169 0.000 0.989 177 Q CA 2.345 58.321 55.803 0.290 0.000 0.853 177 Q CB -0.012 28.756 28.738 0.051 0.000 0.907 177 Q HN 0.421 nan 8.270 nan 0.000 0.418 178 D N 0.143 120.619 120.400 0.127 0.000 2.097 178 D HA -0.149 4.492 4.640 0.002 0.000 0.195 178 D C 1.896 178.245 176.300 0.082 0.000 0.989 178 D CA 1.191 55.246 54.000 0.093 0.000 0.827 178 D CB -0.188 40.665 40.800 0.088 0.000 0.966 178 D HN 0.308 nan 8.370 nan 0.000 0.456 179 L N -0.076 121.204 121.223 0.095 0.000 2.131 179 L HA -0.154 4.187 4.340 0.002 0.000 0.210 179 L C 2.449 179.353 176.870 0.057 0.000 1.092 179 L CA 0.523 55.400 54.840 0.063 0.000 0.759 179 L CB -0.301 41.795 42.059 0.063 0.000 0.903 179 L HN 0.164 nan 8.230 nan 0.000 0.435 180 C N -0.434 118.918 119.300 0.087 0.000 2.440 180 C HA -0.137 4.324 4.460 0.002 0.000 0.278 180 C C 2.877 177.904 174.990 0.061 0.000 1.295 180 C CA 0.685 59.744 59.018 0.069 0.000 1.738 180 C CB -0.551 27.241 27.740 0.088 0.000 1.987 180 C HN 0.494 nan 8.230 nan 0.000 0.492 181 M N 0.523 120.165 119.600 0.070 0.000 2.117 181 M HA -0.144 4.337 4.480 0.002 0.000 0.262 181 M C 1.803 178.126 176.300 0.039 0.000 1.065 181 M CA 1.636 56.969 55.300 0.054 0.000 1.114 181 M CB -0.588 32.044 32.600 0.054 0.000 1.361 181 M HN 0.373 nan 8.290 nan 0.000 0.408 182 D N 0.632 121.052 120.400 0.033 0.000 2.104 182 D HA -0.158 4.483 4.640 0.002 0.000 0.194 182 D C 1.945 178.258 176.300 0.022 0.000 0.994 182 D CA 1.252 55.264 54.000 0.019 0.000 0.830 182 D CB -0.385 40.420 40.800 0.008 0.000 0.959 182 D HN 0.222 nan 8.370 nan 0.000 0.452 183 L N 1.172 122.407 121.223 0.020 0.000 2.042 183 L HA -0.217 4.124 4.340 0.002 0.000 0.210 183 L C 2.293 179.192 176.870 0.049 0.000 1.076 183 L CA 1.723 56.574 54.840 0.019 0.000 0.749 183 L CB -0.478 41.580 42.059 -0.001 0.000 0.893 183 L HN -0.014 nan 8.230 nan 0.000 0.432 184 Q N -0.934 118.896 119.800 0.050 0.000 2.084 184 Q HA -0.196 4.145 4.340 0.002 0.000 0.202 184 Q C 2.011 178.040 176.000 0.048 0.000 0.978 184 Q CA 1.574 57.409 55.803 0.053 0.000 0.844 184 Q CB -0.235 28.531 28.738 0.047 0.000 0.898 184 Q HN 0.549 nan 8.270 nan 0.000 0.426 185 N N 0.436 119.160 118.700 0.041 0.000 2.043 185 N HA -0.141 4.600 4.740 0.002 0.000 0.193 185 N C 1.654 177.193 175.510 0.047 0.000 1.037 185 N CA 1.072 54.145 53.050 0.038 0.000 0.851 185 N CB -0.279 38.225 38.487 0.028 0.000 1.027 185 N HN 0.098 nan 8.380 nan 0.000 0.422 186 L N 1.194 122.447 121.223 0.050 0.000 2.083 186 L HA -0.108 4.233 4.340 0.002 0.000 0.209 186 L C 2.202 179.119 176.870 0.079 0.000 1.083 186 L CA 1.423 56.304 54.840 0.069 0.000 0.752 186 L CB -0.852 41.248 42.059 0.069 0.000 0.899 186 L HN 0.076 nan 8.230 nan 0.000 0.433 187 K N -0.014 120.432 120.400 0.077 0.000 2.057 187 K HA -0.157 4.164 4.320 0.002 0.000 0.206 187 K C 2.325 178.956 176.600 0.053 0.000 1.050 187 K CA 1.349 57.682 56.287 0.077 0.000 0.935 187 K CB -0.221 32.335 32.500 0.094 0.000 0.715 187 K HN 0.115 nan 8.250 nan 0.000 0.439 188 R N -0.210 120.319 120.500 0.049 0.000 2.070 188 R HA -0.085 4.256 4.340 0.002 0.000 0.233 188 R C 2.025 178.351 176.300 0.042 0.000 1.137 188 R CA 1.694 57.817 56.100 0.039 0.000 0.945 188 R CB -0.392 29.930 30.300 0.037 0.000 0.845 188 R HN 0.079 nan 8.270 nan 0.000 0.430 189 V N 1.734 121.681 119.914 0.055 0.000 2.343 189 V HA -0.259 3.862 4.120 0.002 0.000 0.247 189 V C 2.723 178.859 176.094 0.069 0.000 1.051 189 V CA 1.909 64.250 62.300 0.068 0.000 1.036 189 V CB -0.715 31.159 31.823 0.085 0.000 0.654 189 V HN 0.393 nan 8.190 nan 0.000 0.451 190 R N 0.311 120.850 120.500 0.066 0.000 2.070 190 R HA -0.183 4.158 4.340 0.002 0.000 0.233 190 R C 1.983 178.284 176.300 0.001 0.000 1.137 190 R CA 2.249 58.374 56.100 0.043 0.000 0.945 190 R CB -0.781 29.545 30.300 0.042 0.000 0.845 190 R HN 0.490 nan 8.270 nan 0.000 0.430 191 D N 0.604 121.004 120.400 -0.001 0.000 2.178 191 D HA -0.116 4.525 4.640 0.002 0.000 0.202 191 D C 0.974 177.266 176.300 -0.015 0.000 0.974 191 D CA 1.115 55.100 54.000 -0.024 0.000 0.841 191 D CB -0.204 40.587 40.800 -0.014 0.000 0.953 191 D HN 0.265 nan 8.370 nan 0.000 0.478 192 D N -0.190 120.215 120.400 0.008 0.000 2.339 192 D HA 0.029 4.670 4.640 0.002 0.000 0.217 192 D C 0.435 176.744 176.300 0.016 0.000 1.050 192 D CA -0.244 53.760 54.000 0.008 0.000 0.856 192 D CB 0.102 40.911 40.800 0.015 0.000 0.922 192 D HN 0.103 nan 8.370 nan 0.000 0.518 193 L N 1.705 122.962 121.223 0.057 0.000 2.462 193 L HA 0.079 4.420 4.340 0.002 0.000 0.272 193 L C 0.448 177.426 176.870 0.179 0.000 1.166 193 L CA 0.484 55.395 54.840 0.118 0.000 0.880 193 L CB 0.173 42.348 42.059 0.194 0.000 1.142 193 L HN -0.230 nan 8.230 nan 0.000 0.473 194 R N 3.464 123.945 120.500 -0.030 0.000 2.598 194 R HA 0.368 4.709 4.340 0.002 0.000 0.279 194 R C -0.895 175.291 176.300 -0.190 0.000 0.984 194 R CA -0.890 55.091 56.100 -0.198 0.000 0.999 194 R CB 1.221 31.025 30.300 -0.826 0.000 1.114 194 R HN 0.389 nan 8.270 nan 0.000 0.493 195 F N 1.908 121.589 119.950 -0.448 0.000 2.399 195 F HA 0.189 4.717 4.527 0.002 0.000 0.342 195 F C 1.706 177.450 175.800 -0.092 0.000 1.106 195 F CA -0.474 57.163 58.000 -0.605 0.000 1.196 195 F CB 0.966 39.562 39.000 -0.673 0.000 1.163 195 F HN 0.426 nan 8.300 nan 0.000 0.547 196 R N 3.035 123.271 120.500 -0.441 0.000 2.073 196 R HA 0.166 4.507 4.340 0.002 0.000 0.229 196 R C 1.150 177.361 176.300 -0.148 0.000 1.120 196 R CA 1.151 57.182 56.100 -0.115 0.000 0.967 196 R CB -0.702 29.518 30.300 -0.132 0.000 0.862 196 R HN 1.027 nan 8.270 nan 0.000 0.436 197 G N -0.051 108.465 108.800 -0.474 0.000 2.539 197 G HA2 -0.317 3.644 3.960 0.002 0.000 0.256 197 G HA3 -0.317 3.644 3.960 0.002 0.000 0.256 197 G C -0.284 174.680 174.900 0.106 0.000 1.233 197 G CA 0.086 45.185 45.100 -0.002 0.000 0.936 197 G HN 0.690 nan 8.290 nan 0.000 0.571 198 V N -2.143 117.812 119.914 0.068 0.000 2.370 198 V HA 0.901 5.022 4.120 0.002 0.000 0.279 198 V C 0.512 176.602 176.094 -0.007 0.000 1.029 198 V CA 0.054 62.318 62.300 -0.061 0.000 0.870 198 V CB 1.546 33.002 31.823 -0.612 0.000 0.984 198 V HN 0.796 nan 8.190 nan 0.000 0.451 199 K N 3.176 123.676 120.400 0.167 0.000 2.567 199 K HA 0.415 4.736 4.320 0.002 0.000 0.218 199 K C 0.798 177.535 176.600 0.228 0.000 1.440 199 K CA 0.552 56.940 56.287 0.169 0.000 0.995 199 K CB 1.069 33.632 32.500 0.105 0.000 1.186 199 K HN 1.499 nan 8.250 nan 0.000 0.593 200 G N 1.052 110.034 108.800 0.305 0.000 2.795 200 G HA2 -0.296 3.665 3.960 0.002 0.000 0.664 200 G HA3 -0.296 3.665 3.960 0.002 0.000 0.664 200 G C 0.736 175.684 174.900 0.080 0.000 1.381 200 G CA 0.041 45.232 45.100 0.151 0.000 0.853 200 G HN -0.042 nan 8.290 nan 0.000 0.545 201 T N 0.043 114.613 114.554 0.027 0.000 2.699 201 T HA -0.105 4.246 4.350 0.002 0.000 0.268 201 T C 2.385 177.107 174.700 0.036 0.000 1.036 201 T CA 3.188 65.305 62.100 0.028 0.000 1.147 201 T CB -0.428 68.444 68.868 0.007 0.000 0.862 201 T HN 1.793 nan 8.240 nan 0.000 0.446 202 T N -2.344 112.230 114.554 0.035 0.000 3.132 202 T HA 0.551 4.902 4.350 0.002 0.000 0.274 202 T C 1.455 176.181 174.700 0.042 0.000 1.011 202 T CA 0.443 62.565 62.100 0.036 0.000 0.899 202 T CB 0.523 69.408 68.868 0.028 0.000 1.089 202 T HN 0.535 nan 8.240 nan 0.000 0.543 203 G N 1.686 110.518 108.800 0.054 0.000 2.175 203 G HA2 -0.323 3.638 3.960 0.002 0.000 0.244 203 G HA3 -0.323 3.638 3.960 0.002 0.000 0.244 203 G C 0.928 175.872 174.900 0.074 0.000 0.982 203 G CA 0.736 45.873 45.100 0.061 0.000 0.641 203 G HN 1.043 nan 8.290 nan 0.000 0.527 204 T N -2.428 112.171 114.554 0.074 0.000 3.060 204 T HA 0.363 4.714 4.350 0.002 0.000 0.249 204 T C 1.181 175.944 174.700 0.105 0.000 1.079 204 T CA 1.208 63.353 62.100 0.074 0.000 1.013 204 T CB -0.051 68.848 68.868 0.052 0.000 0.975 204 T HN 0.924 nan 8.240 nan 0.000 0.518 205 Q N -0.339 119.552 119.800 0.152 0.000 2.480 205 Q HA -0.272 4.069 4.340 0.002 0.000 0.265 205 Q C 1.431 177.545 176.000 0.190 0.000 1.072 205 Q CA 0.352 56.314 55.803 0.265 0.000 1.018 205 Q CB -1.988 26.900 28.738 0.250 0.000 1.433 205 Q HN 0.762 nan 8.270 nan 0.000 0.513 206 A N 0.289 123.157 122.820 0.080 0.000 1.902 206 A HA -0.229 4.092 4.320 0.002 0.000 0.217 206 A C 2.152 179.719 177.584 -0.029 0.000 1.181 206 A CA 1.890 53.945 52.037 0.029 0.000 0.623 206 A CB -0.551 18.451 19.000 0.003 0.000 0.818 206 A HN 0.717 nan 8.150 nan 0.000 0.443 207 S N -0.411 115.204 115.700 -0.142 0.000 2.356 207 S HA -0.175 4.296 4.470 0.002 0.000 0.223 207 S C 1.698 176.113 174.600 -0.308 0.000 1.032 207 S CA 1.598 59.614 58.200 -0.306 0.000 1.005 207 S CB -0.912 61.961 63.200 -0.546 0.000 0.867 207 S HN 0.385 nan 8.310 nan 0.000 0.449 208 F N 1.495 121.421 119.950 -0.040 0.000 2.186 208 F HA 0.166 4.694 4.527 0.001 0.000 0.299 208 F C 2.209 178.053 175.800 0.075 0.000 1.090 208 F CA 0.401 58.388 58.000 -0.021 0.000 1.307 208 F CB -0.821 38.225 39.000 0.076 0.000 1.019 208 F HN 0.211 nan 8.300 nan 0.000 0.489 209 L N 0.187 121.562 121.223 0.254 0.000 2.046 209 L HA -0.194 4.147 4.340 0.002 0.000 0.208 209 L C 2.394 179.343 176.870 0.131 0.000 1.077 209 L CA 1.760 56.728 54.840 0.212 0.000 0.747 209 L CB -0.959 41.186 42.059 0.144 0.000 0.896 209 L HN 0.219 nan 8.230 nan 0.000 0.432 210 Q N -0.806 119.019 119.800 0.041 0.000 2.050 210 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 210 Q C 2.313 178.289 176.000 -0.040 0.000 0.980 210 Q CA 1.891 57.691 55.803 -0.005 0.000 0.840 210 Q CB -0.187 28.523 28.738 -0.047 0.000 0.898 210 Q HN 0.581 nan 8.270 nan 0.000 0.424 211 L N -0.397 120.750 121.223 -0.126 0.000 2.079 211 L HA -0.182 4.159 4.340 0.002 0.000 0.210 211 L C 1.405 178.118 176.870 -0.262 0.000 1.081 211 L CA 0.980 55.664 54.840 -0.260 0.000 0.752 211 L CB -0.188 41.605 42.059 -0.443 0.000 0.896 211 L HN 0.227 nan 8.230 nan 0.000 0.433 212 F N -0.185 119.792 119.950 0.045 0.000 2.664 212 F HA 0.097 4.625 4.527 0.001 0.000 0.301 212 F C 0.755 176.575 175.800 0.033 0.000 1.126 212 F CA -0.605 57.420 58.000 0.042 0.000 1.373 212 F CB -0.671 38.360 39.000 0.051 0.000 1.042 212 F HN 0.053 nan 8.300 nan 0.000 0.535 213 E N -0.196 120.090 120.200 0.144 0.000 2.297 213 E HA -0.252 4.099 4.350 0.002 0.000 0.228 213 E C 1.395 178.055 176.600 0.102 0.000 1.213 213 E CA 0.363 56.819 56.400 0.094 0.000 0.712 213 E CB -1.646 28.102 29.700 0.079 0.000 1.202 213 E HN 0.663 nan 8.360 nan 0.000 0.376 214 G N 0.613 109.482 108.800 0.114 0.000 2.159 214 G HA2 -0.329 3.632 3.960 0.002 0.000 0.256 214 G HA3 -0.329 3.632 3.960 0.002 0.000 0.256 214 G C -0.094 174.867 174.900 0.102 0.000 0.977 214 G CA 0.176 45.334 45.100 0.096 0.000 0.652 214 G HN 0.447 nan 8.290 nan 0.000 0.531 215 D N 1.014 121.493 120.400 0.132 0.000 2.435 215 D HA 0.263 4.904 4.640 0.002 0.000 0.230 215 D C 1.307 177.646 176.300 0.066 0.000 1.215 215 D CA -0.279 53.776 54.000 0.090 0.000 0.947 215 D CB 0.041 40.884 40.800 0.072 0.000 1.048 215 D HN 0.309 nan 8.370 nan 0.000 0.512 216 D N 1.546 121.989 120.400 0.072 0.000 2.149 216 D HA -0.220 4.421 4.640 0.002 0.000 0.198 216 D C 1.569 177.893 176.300 0.040 0.000 0.990 216 D CA 0.864 54.902 54.000 0.063 0.000 0.839 216 D CB 0.036 40.876 40.800 0.066 0.000 0.948 216 D HN 0.691 nan 8.370 nan 0.000 0.460 217 H N 1.568 120.604 119.070 -0.056 0.000 2.352 217 H HA -0.096 4.461 4.556 0.001 0.000 0.299 217 H C 1.876 177.105 175.328 -0.165 0.000 1.097 217 H CA 1.361 57.357 56.048 -0.086 0.000 1.311 217 H CB 0.312 30.029 29.762 -0.075 0.000 1.377 217 H HN 0.037 nan 8.280 nan 0.000 0.504 218 K N 0.059 120.234 120.400 -0.376 0.000 2.097 218 K HA -0.070 4.251 4.320 0.002 0.000 0.205 218 K C 2.296 178.472 176.600 -0.706 0.000 1.050 218 K CA 1.092 56.935 56.287 -0.739 0.000 0.938 218 K CB 0.178 32.016 32.500 -1.103 0.000 0.718 218 K HN 0.125 nan 8.250 nan 0.000 0.442 219 V N 1.845 121.558 119.914 -0.335 0.000 2.358 219 V HA -0.205 3.916 4.120 0.002 0.000 0.246 219 V C 2.179 178.194 176.094 -0.133 0.000 1.047 219 V CA 1.647 63.899 62.300 -0.079 0.000 1.035 219 V CB -0.347 31.541 31.823 0.109 0.000 0.658 219 V HN 0.282 nan 8.190 nan 0.000 0.452 220 E N 0.016 120.134 120.200 -0.137 0.000 2.077 220 E HA -0.241 4.110 4.350 0.002 0.000 0.193 220 E C 2.306 178.807 176.600 -0.164 0.000 0.989 220 E CA 1.290 57.624 56.400 -0.109 0.000 0.800 220 E CB -0.203 29.466 29.700 -0.052 0.000 0.746 220 E HN 0.691 nan 8.360 nan 0.000 0.452 221 Q N 0.258 119.879 119.800 -0.298 0.000 2.050 221 Q HA -0.167 4.174 4.340 0.002 0.000 0.202 221 Q C 2.328 178.214 176.000 -0.190 0.000 0.980 221 Q CA 0.925 56.556 55.803 -0.287 0.000 0.840 221 Q CB -0.214 28.264 28.738 -0.434 0.000 0.898 221 Q HN 0.120 nan 8.270 nan 0.000 0.424 222 L N 1.456 122.559 121.223 -0.200 0.000 1.990 222 L HA -0.251 4.090 4.340 0.002 0.000 0.213 222 L C 1.811 178.626 176.870 -0.092 0.000 1.072 222 L CA 2.177 56.949 54.840 -0.115 0.000 0.755 222 L CB -0.681 41.323 42.059 -0.091 0.000 0.889 222 L HN 0.167 nan 8.230 nan 0.000 0.432 223 D N -0.794 119.543 120.400 -0.104 0.000 2.117 223 D HA -0.199 4.442 4.640 0.002 0.000 0.197 223 D C 2.206 178.509 176.300 0.005 0.000 0.987 223 D CA 1.295 55.273 54.000 -0.038 0.000 0.829 223 D CB 0.056 40.837 40.800 -0.032 0.000 0.961 223 D HN 0.324 nan 8.370 nan 0.000 0.460 224 K N -0.636 119.743 120.400 -0.035 0.000 2.032 224 K HA -0.115 4.206 4.320 0.002 0.000 0.209 224 K C 2.335 178.901 176.600 -0.056 0.000 1.048 224 K CA 1.212 57.475 56.287 -0.039 0.000 0.927 224 K CB -0.115 32.351 32.500 -0.057 0.000 0.712 224 K HN 0.218 nan 8.250 nan 0.000 0.441 225 M N 0.456 120.019 119.600 -0.062 0.000 2.117 225 M HA -0.162 4.319 4.480 0.002 0.000 0.262 225 M C 2.325 178.572 176.300 -0.088 0.000 1.065 225 M CA 1.491 56.748 55.300 -0.071 0.000 1.114 225 M CB -0.333 32.238 32.600 -0.048 0.000 1.361 225 M HN 0.101 nan 8.290 nan 0.000 0.408 226 V N -3.059 116.850 119.914 -0.010 0.000 2.427 226 V HA -0.151 3.970 4.120 0.002 0.000 0.248 226 V C 1.988 178.010 176.094 -0.120 0.000 1.051 226 V CA 2.117 64.445 62.300 0.045 0.000 1.048 226 V CB -1.537 30.473 31.823 0.311 0.000 0.666 226 V HN 0.374 nan 8.190 nan 0.000 0.456 227 T N 0.397 114.902 114.554 -0.082 0.000 2.746 227 T HA -0.201 4.150 4.350 0.002 0.000 0.267 227 T C 1.810 176.284 174.700 -0.376 0.000 1.039 227 T CA 2.151 64.071 62.100 -0.301 0.000 1.142 227 T CB -0.292 68.562 68.868 -0.023 0.000 0.866 227 T HN 0.780 nan 8.240 nan 0.000 0.444 228 E N 0.958 121.006 120.200 -0.253 0.000 2.051 228 E HA -0.157 4.194 4.350 0.002 0.000 0.192 228 E C 2.137 178.507 176.600 -0.384 0.000 0.991 228 E CA 1.087 57.337 56.400 -0.250 0.000 0.799 228 E CB 0.017 29.613 29.700 -0.172 0.000 0.748 228 E HN 0.389 nan 8.360 nan 0.000 0.449 229 K N -0.079 120.003 120.400 -0.530 0.000 2.103 229 K HA -0.114 4.207 4.320 0.002 0.000 0.207 229 K C 1.942 177.759 176.600 -1.306 0.000 1.048 229 K CA 1.161 56.892 56.287 -0.925 0.000 0.930 229 K CB -0.090 31.652 32.500 -1.264 0.000 0.716 229 K HN 0.124 nan 8.250 nan 0.000 0.444 230 A N 0.213 122.351 122.820 -1.136 0.000 2.235 230 A HA 0.158 4.479 4.320 0.002 0.000 0.208 230 A C 1.325 178.721 177.584 -0.313 0.000 1.172 230 A CA 0.859 52.423 52.037 -0.789 0.000 0.786 230 A CB -0.330 18.255 19.000 -0.692 0.000 0.804 230 A HN 0.428 nan 8.150 nan 0.000 0.479 231 G N -2.220 106.377 108.800 -0.338 0.000 2.132 231 G HA2 -0.231 3.730 3.960 0.002 0.000 0.228 231 G HA3 -0.231 3.730 3.960 0.002 0.000 0.228 231 G C -0.164 174.563 174.900 -0.288 0.000 1.000 231 G CA 0.096 45.046 45.100 -0.250 0.000 0.693 231 G HN 0.295 nan 8.290 nan 0.000 0.515 232 F N 0.130 119.865 119.950 -0.359 0.000 2.422 232 F HA 0.553 5.080 4.527 0.001 0.000 0.333 232 F C 1.581 177.263 175.800 -0.198 0.000 1.095 232 F CA -0.776 57.067 58.000 -0.261 0.000 1.038 232 F CB 1.474 40.286 39.000 -0.313 0.000 1.156 232 F HN -0.111 nan 8.300 nan 0.000 0.483 233 K N 1.122 121.525 120.400 0.005 0.000 2.228 233 K HA 0.034 4.355 4.320 0.002 0.000 0.202 233 K C 0.549 177.154 176.600 0.009 0.000 1.051 233 K CA 0.816 57.091 56.287 -0.020 0.000 0.960 233 K CB 0.374 32.849 32.500 -0.042 0.000 0.743 233 K HN 0.475 nan 8.250 nan 0.000 0.458 234 R N -0.296 120.237 120.500 0.055 0.000 2.651 234 R HA 0.442 4.783 4.340 0.002 0.000 0.278 234 R C -1.970 174.341 176.300 0.019 0.000 1.010 234 R CA -0.397 55.711 56.100 0.014 0.000 0.896 234 R CB 1.979 32.262 30.300 -0.029 0.000 1.211 234 R HN 0.021 nan 8.270 nan 0.000 0.456 235 A N 3.184 126.007 122.820 0.005 0.000 2.354 235 A HA 0.638 4.959 4.320 0.002 0.000 0.321 235 A C -1.000 176.559 177.584 -0.041 0.000 1.125 235 A CA -0.656 51.393 52.037 0.021 0.000 0.799 235 A CB 0.531 19.611 19.000 0.134 0.000 1.293 235 A HN 0.572 nan 8.150 nan 0.000 0.452 236 F N 0.713 120.690 119.950 0.045 0.000 2.595 236 F HA 0.103 4.630 4.527 0.001 0.000 0.359 236 F C 1.568 177.392 175.800 0.040 0.000 1.147 236 F CA 0.532 58.557 58.000 0.042 0.000 1.341 236 F CB 0.331 39.354 39.000 0.039 0.000 1.104 236 F HN 0.455 nan 8.300 nan 0.000 0.603 237 I N 2.069 122.780 120.570 0.236 0.000 2.339 237 I HA -0.086 4.085 4.170 0.002 0.000 0.245 237 I C 0.496 176.708 176.117 0.158 0.000 1.096 237 I CA 0.790 62.184 61.300 0.156 0.000 1.408 237 I CB 0.008 38.075 38.000 0.111 0.000 1.092 237 I HN 0.262 nan 8.210 nan 0.000 0.423 238 I N 2.080 122.761 120.570 0.184 0.000 2.321 238 I HA 0.245 4.416 4.170 0.002 0.000 0.291 238 I C 0.170 176.303 176.117 0.027 0.000 0.998 238 I CA 0.150 61.514 61.300 0.107 0.000 1.227 238 I CB 0.701 38.758 38.000 0.095 0.000 1.368 238 I HN 0.173 nan 8.210 nan 0.000 0.466 239 T N 1.572 116.121 114.554 -0.008 0.000 2.864 239 T HA 0.745 5.096 4.350 0.002 0.000 0.299 239 T C 0.238 174.921 174.700 -0.028 0.000 1.166 239 T CA -0.563 61.484 62.100 -0.088 0.000 1.007 239 T CB 1.953 70.763 68.868 -0.097 0.000 1.219 239 T HN 0.582 nan 8.240 nan 0.000 0.506 240 G N -0.246 108.531 108.800 -0.039 0.000 3.022 240 G HA2 0.212 4.173 3.960 0.002 0.000 0.157 240 G HA3 0.212 4.173 3.960 0.002 0.000 0.157 240 G C 0.742 175.639 174.900 -0.005 0.000 1.691 240 G CA 0.367 45.467 45.100 -0.000 0.000 1.079 240 G HN 0.891 nan 8.290 nan 0.000 0.549 241 Q N -0.599 119.198 119.800 -0.004 0.000 2.172 241 Q HA 0.040 4.381 4.340 0.002 0.000 0.200 241 Q C 1.220 177.195 176.000 -0.042 0.000 0.964 241 Q CA 1.358 57.159 55.803 -0.003 0.000 0.855 241 Q CB -0.146 28.596 28.738 0.007 0.000 0.918 241 Q HN 0.581 nan 8.270 nan 0.000 0.444 242 T N -2.071 112.422 114.554 -0.101 0.000 2.949 242 T HA 0.359 4.710 4.350 0.002 0.000 0.287 242 T C -0.180 174.387 174.700 -0.221 0.000 1.034 242 T CA -0.974 61.009 62.100 -0.196 0.000 1.018 242 T CB 0.658 69.349 68.868 -0.295 0.000 1.135 242 T HN 0.230 nan 8.240 nan 0.000 0.532 243 Y N -0.141 120.038 120.300 -0.202 0.000 2.480 243 Y HA 0.458 5.009 4.550 0.001 0.000 0.338 243 Y C 0.910 176.634 175.900 -0.294 0.000 1.220 243 Y CA -1.082 56.794 58.100 -0.372 0.000 1.430 243 Y CB -0.418 37.902 38.460 -0.232 0.000 1.311 243 Y HN 0.819 nan 8.280 nan 0.000 0.575 244 T N 3.774 118.209 114.554 -0.198 0.000 2.908 244 T HA 0.046 4.397 4.350 0.002 0.000 0.301 244 T C 1.049 175.792 174.700 0.070 0.000 1.019 244 T CA -0.560 61.490 62.100 -0.084 0.000 1.152 244 T CB 0.167 68.995 68.868 -0.067 0.000 0.966 244 T HN 0.734 nan 8.240 nan 0.000 0.540 245 R N 3.634 124.118 120.500 -0.026 0.000 2.339 245 R HA 0.044 4.385 4.340 0.002 0.000 0.199 245 R C 2.105 178.459 176.300 0.091 0.000 1.018 245 R CA 0.449 56.560 56.100 0.017 0.000 1.036 245 R CB -0.437 29.829 30.300 -0.058 0.000 0.899 245 R HN 0.714 nan 8.270 nan 0.000 0.473 246 K N 0.697 121.152 120.400 0.091 0.000 2.152 246 K HA -0.096 4.225 4.320 0.002 0.000 0.206 246 K C 1.659 178.346 176.600 0.145 0.000 1.048 246 K CA 0.986 57.333 56.287 0.100 0.000 0.933 246 K CB 0.123 32.676 32.500 0.089 0.000 0.721 246 K HN -0.079 nan 8.250 nan 0.000 0.447 247 V N 1.977 122.023 119.914 0.219 0.000 2.282 247 V HA -0.288 3.833 4.120 0.002 0.000 0.249 247 V C 1.615 177.833 176.094 0.205 0.000 1.057 247 V CA 2.203 64.640 62.300 0.228 0.000 1.032 247 V CB -0.482 31.492 31.823 0.252 0.000 0.645 247 V HN 0.402 nan 8.190 nan 0.000 0.447 248 D N -0.202 120.344 120.400 0.243 0.000 2.178 248 D HA -0.097 4.544 4.640 0.002 0.000 0.201 248 D C 2.030 178.401 176.300 0.118 0.000 0.980 248 D CA 1.162 55.279 54.000 0.195 0.000 0.842 248 D CB -0.212 40.696 40.800 0.180 0.000 0.948 248 D HN 0.428 nan 8.370 nan 0.000 0.472 249 I N 1.343 121.969 120.570 0.093 0.000 2.179 249 I HA -0.229 3.942 4.170 0.002 0.000 0.242 249 I C 2.268 178.419 176.117 0.056 0.000 1.088 249 I CA 1.029 62.363 61.300 0.056 0.000 1.357 249 I CB -0.211 37.817 38.000 0.046 0.000 1.051 249 I HN -0.079 nan 8.210 nan 0.000 0.409 250 E N 0.688 120.934 120.200 0.078 0.000 2.085 250 E HA -0.163 4.188 4.350 0.002 0.000 0.194 250 E C 2.448 179.088 176.600 0.067 0.000 0.994 250 E CA 1.226 57.668 56.400 0.070 0.000 0.801 250 E CB -0.646 29.106 29.700 0.086 0.000 0.743 250 E HN 0.365 nan 8.360 nan 0.000 0.453 251 V N 1.193 121.164 119.914 0.095 0.000 2.270 251 V HA -0.215 3.906 4.120 0.002 0.000 0.245 251 V C 2.406 178.510 176.094 0.016 0.000 1.043 251 V CA 1.313 63.675 62.300 0.104 0.000 1.014 251 V CB -0.442 31.507 31.823 0.210 0.000 0.645 251 V HN 0.120 nan 8.190 nan 0.000 0.447 252 L N -0.078 121.148 121.223 0.005 0.000 2.291 252 L HA -0.043 4.298 4.340 0.002 0.000 0.214 252 L C 2.516 179.344 176.870 -0.070 0.000 1.120 252 L CA 1.459 56.257 54.840 -0.071 0.000 0.799 252 L CB -0.791 41.236 42.059 -0.053 0.000 0.925 252 L HN 0.227 nan 8.230 nan 0.000 0.446 253 S N -0.803 114.879 115.700 -0.031 0.000 2.368 253 S HA -0.149 4.322 4.470 0.002 0.000 0.224 253 S C 2.065 176.644 174.600 -0.036 0.000 1.029 253 S CA 1.461 59.643 58.200 -0.029 0.000 0.988 253 S CB -0.365 62.832 63.200 -0.006 0.000 0.838 253 S HN 0.437 nan 8.310 nan 0.000 0.462 254 V N 0.628 120.526 119.914 -0.027 0.000 2.427 254 V HA -0.059 4.062 4.120 0.002 0.000 0.248 254 V C 1.932 177.989 176.094 -0.062 0.000 1.051 254 V CA 1.411 63.695 62.300 -0.027 0.000 1.048 254 V CB -1.052 30.771 31.823 -0.000 0.000 0.666 254 V HN 0.410 nan 8.190 nan 0.000 0.456 255 L N 0.669 121.826 121.223 -0.111 0.000 2.046 255 L HA -0.059 4.282 4.340 0.002 0.000 0.208 255 L C 3.095 179.889 176.870 -0.127 0.000 1.077 255 L CA 1.685 56.426 54.840 -0.165 0.000 0.747 255 L CB -0.968 40.913 42.059 -0.298 0.000 0.896 255 L HN 0.445 nan 8.230 nan 0.000 0.432 256 A N -0.852 121.902 122.820 -0.110 0.000 1.908 256 A HA -0.249 4.072 4.320 0.002 0.000 0.218 256 A C 2.555 180.098 177.584 -0.069 0.000 1.181 256 A CA 2.215 54.196 52.037 -0.093 0.000 0.627 256 A CB -0.694 18.256 19.000 -0.084 0.000 0.818 256 A HN 0.361 nan 8.150 nan 0.000 0.445 257 S N -0.849 114.818 115.700 -0.054 0.000 2.368 257 S HA -0.126 4.345 4.470 0.002 0.000 0.224 257 S C 1.930 176.510 174.600 -0.033 0.000 1.029 257 S CA 1.375 59.553 58.200 -0.037 0.000 0.988 257 S CB -0.476 62.711 63.200 -0.022 0.000 0.838 257 S HN 0.530 nan 8.310 nan 0.000 0.462 258 L N 1.992 123.191 121.223 -0.040 0.000 2.043 258 L HA 0.005 4.346 4.340 0.002 0.000 0.212 258 L C 2.242 179.087 176.870 -0.042 0.000 1.075 258 L CA 2.411 57.228 54.840 -0.039 0.000 0.752 258 L CB -1.393 40.636 42.059 -0.051 0.000 0.891 258 L HN 0.352 nan 8.230 nan 0.000 0.432 259 G N -1.068 107.700 108.800 -0.053 0.000 2.446 259 G HA2 -0.302 3.659 3.960 0.002 0.000 0.217 259 G HA3 -0.302 3.659 3.960 0.002 0.000 0.217 259 G C 1.609 176.502 174.900 -0.012 0.000 1.168 259 G CA 1.032 46.107 45.100 -0.042 0.000 0.771 259 G HN 0.692 nan 8.290 nan 0.000 0.551 260 A N 0.686 123.490 122.820 -0.026 0.000 1.902 260 A HA 0.002 4.323 4.320 0.002 0.000 0.217 260 A C 2.725 180.314 177.584 0.009 0.000 1.181 260 A CA 2.300 54.325 52.037 -0.021 0.000 0.623 260 A CB -0.692 18.283 19.000 -0.041 0.000 0.818 260 A HN 0.325 nan 8.150 nan 0.000 0.443 261 S N -0.406 115.293 115.700 -0.002 0.000 2.359 261 S HA -0.153 4.318 4.470 0.002 0.000 0.224 261 S C 1.885 176.467 174.600 -0.031 0.000 1.035 261 S CA 1.588 59.788 58.200 -0.000 0.000 1.018 261 S CB -0.535 62.668 63.200 0.006 0.000 0.876 261 S HN 0.350 nan 8.310 nan 0.000 0.448 262 V N 1.573 121.460 119.914 -0.045 0.000 2.427 262 V HA -0.166 3.955 4.120 0.002 0.000 0.248 262 V C 2.330 178.353 176.094 -0.118 0.000 1.051 262 V CA 1.639 63.879 62.300 -0.100 0.000 1.048 262 V CB -0.768 30.999 31.823 -0.093 0.000 0.666 262 V HN 0.577 nan 8.190 nan 0.000 0.456 263 H N 0.643 119.637 119.070 -0.126 0.000 2.321 263 H HA -0.156 4.401 4.556 0.003 0.000 0.300 263 H C 2.455 177.700 175.328 -0.139 0.000 1.087 263 H CA 2.012 57.985 56.048 -0.124 0.000 1.319 263 H CB 0.070 29.775 29.762 -0.095 0.000 1.379 263 H HN 0.257 nan 8.280 nan 0.000 0.501 264 K N 0.980 121.406 120.400 0.044 0.000 2.002 264 K HA -0.110 4.211 4.320 0.002 0.000 0.209 264 K C 2.504 179.010 176.600 -0.157 0.000 1.048 264 K CA 1.381 57.663 56.287 -0.008 0.000 0.930 264 K CB -0.444 32.070 32.500 0.024 0.000 0.714 264 K HN 0.324 nan 8.250 nan 0.000 0.438 265 I N 0.682 121.077 120.570 -0.291 0.000 2.163 265 I HA -0.358 3.813 4.170 0.002 0.000 0.243 265 I C 2.591 178.297 176.117 -0.686 0.000 1.085 265 I CA 1.149 62.013 61.300 -0.727 0.000 1.347 265 I CB -0.301 37.264 38.000 -0.726 0.000 1.044 265 I HN 0.202 nan 8.210 nan 0.000 0.408 266 C N 0.007 119.031 119.300 -0.459 0.000 2.464 266 C HA -0.077 4.384 4.460 0.002 0.000 0.278 266 C C 2.969 177.756 174.990 -0.339 0.000 1.375 266 C CA 1.030 59.807 59.018 -0.402 0.000 1.761 266 C CB -1.012 26.519 27.740 -0.348 0.000 1.944 266 C HN 0.506 nan 8.230 nan 0.000 0.509 267 T N 0.895 115.262 114.554 -0.311 0.000 2.737 267 T HA -0.142 4.209 4.350 0.002 0.000 0.265 267 T C 1.326 175.907 174.700 -0.198 0.000 1.038 267 T CA 1.647 63.607 62.100 -0.233 0.000 1.144 267 T CB -0.361 68.414 68.868 -0.154 0.000 0.866 267 T HN 0.479 nan 8.240 nan 0.000 0.434 268 D N 1.001 121.295 120.400 -0.176 0.000 2.123 268 D HA -0.038 4.603 4.640 0.002 0.000 0.196 268 D C 2.041 178.312 176.300 -0.050 0.000 0.992 268 D CA 0.796 54.762 54.000 -0.057 0.000 0.833 268 D CB -0.369 40.540 40.800 0.182 0.000 0.954 268 D HN 0.365 nan 8.370 nan 0.000 0.455 269 I N 0.476 120.926 120.570 -0.199 0.000 2.179 269 I HA -0.249 3.922 4.170 0.002 0.000 0.242 269 I C 2.414 178.471 176.117 -0.099 0.000 1.088 269 I CA 1.031 62.239 61.300 -0.153 0.000 1.357 269 I CB -0.142 37.686 38.000 -0.286 0.000 1.051 269 I HN -0.074 nan 8.210 nan 0.000 0.409 270 R N 0.579 120.997 120.500 -0.138 0.000 2.105 270 R HA -0.132 4.209 4.340 0.002 0.000 0.239 270 R C 2.268 178.524 176.300 -0.073 0.000 1.135 270 R CA 1.226 57.261 56.100 -0.108 0.000 0.967 270 R CB -0.325 29.896 30.300 -0.133 0.000 0.861 270 R HN 0.351 nan 8.270 nan 0.000 0.442 271 L N 0.222 121.388 121.223 -0.094 0.000 2.109 271 L HA -0.127 4.214 4.340 0.002 0.000 0.207 271 L C 2.219 179.110 176.870 0.035 0.000 1.086 271 L CA 0.951 55.742 54.840 -0.081 0.000 0.760 271 L CB -0.319 41.558 42.059 -0.303 0.000 0.910 271 L HN 0.190 nan 8.230 nan 0.000 0.437 272 L N -0.357 120.904 121.223 0.064 0.000 2.141 272 L HA -0.165 4.176 4.340 0.002 0.000 0.209 272 L C 2.846 179.777 176.870 0.101 0.000 1.094 272 L CA 0.991 55.915 54.840 0.140 0.000 0.763 272 L CB -0.643 41.529 42.059 0.188 0.000 0.908 272 L HN 0.235 nan 8.230 nan 0.000 0.437 273 A N 0.115 122.961 122.820 0.044 0.000 1.930 273 A HA -0.242 4.079 4.320 0.002 0.000 0.217 273 A C 2.173 179.758 177.584 0.001 0.000 1.175 273 A CA 1.878 53.924 52.037 0.014 0.000 0.627 273 A CB -0.733 18.252 19.000 -0.025 0.000 0.815 273 A HN 0.531 nan 8.150 nan 0.000 0.443 274 N N 0.333 119.042 118.700 0.014 0.000 2.120 274 N HA -0.095 4.646 4.740 0.002 0.000 0.188 274 N C 1.551 177.082 175.510 0.035 0.000 1.024 274 N CA 1.333 54.395 53.050 0.018 0.000 0.852 274 N CB -0.193 38.318 38.487 0.040 0.000 1.003 274 N HN 0.494 nan 8.380 nan 0.000 0.424 275 L N 0.697 121.967 121.223 0.078 0.000 2.551 275 L HA 0.063 4.404 4.340 0.002 0.000 0.228 275 L C 0.670 177.583 176.870 0.072 0.000 1.153 275 L CA 0.408 55.308 54.840 0.100 0.000 0.851 275 L CB -0.142 42.026 42.059 0.182 0.000 0.959 275 L HN 0.139 nan 8.230 nan 0.000 0.451 276 K N -0.629 119.791 120.400 0.034 0.000 3.209 276 K HA -0.245 4.076 4.320 0.002 0.000 0.289 276 K C 0.768 177.415 176.600 0.078 0.000 1.191 276 K CA 0.964 57.233 56.287 -0.031 0.000 0.851 276 K CB -1.376 31.052 32.500 -0.121 0.000 1.242 276 K HN 0.484 nan 8.250 nan 0.000 0.480 277 E N -0.187 120.119 120.200 0.177 0.000 2.216 277 E HA 0.137 4.488 4.350 0.002 0.000 0.192 277 E C 0.679 177.466 176.600 0.312 0.000 0.973 277 E CA 0.480 57.031 56.400 0.251 0.000 0.851 277 E CB 0.351 30.183 29.700 0.221 0.000 0.804 277 E HN 0.307 nan 8.360 nan 0.000 0.477 278 M N 0.847 120.605 119.600 0.264 0.000 2.421 278 M HA 0.266 4.747 4.480 0.002 0.000 0.287 278 M C -1.860 174.527 176.300 0.144 0.000 1.183 278 M CA -0.274 55.151 55.300 0.208 0.000 0.916 278 M CB 2.575 35.289 32.600 0.189 0.000 1.701 278 M HN -0.209 nan 8.290 nan 0.000 0.470 279 E N 1.422 121.666 120.200 0.073 0.000 2.410 279 E HA 0.396 4.747 4.350 0.002 0.000 0.269 279 E C -1.349 175.159 176.600 -0.153 0.000 0.937 279 E CA -0.933 55.454 56.400 -0.022 0.000 0.793 279 E CB 2.315 32.031 29.700 0.027 0.000 1.314 279 E HN 0.605 nan 8.360 nan 0.000 0.447 280 E N 1.241 121.339 120.200 -0.171 0.000 2.371 280 E HA 0.173 4.524 4.350 0.002 0.000 0.257 280 E C -2.280 174.147 176.600 -0.288 0.000 1.134 280 E CA -1.714 54.567 56.400 -0.198 0.000 0.919 280 E CB 0.107 29.720 29.700 -0.147 0.000 1.025 280 E HN 0.141 nan 8.360 nan 0.000 0.438 281 P HA -0.091 nan 4.420 nan 0.000 0.266 281 P C -0.676 176.505 177.300 -0.198 0.000 1.193 281 P CA 0.457 63.410 63.100 -0.244 0.000 0.770 281 P CB 0.279 31.912 31.700 -0.112 0.000 0.836 294 Y N 1.368 121.692 120.300 0.040 0.000 2.114 294 Y HA 0.020 4.571 4.550 0.002 0.000 0.284 294 Y C 0.774 176.691 175.900 0.028 0.000 1.143 294 Y CA 1.478 59.594 58.100 0.028 0.000 1.135 294 Y CB 0.421 38.886 38.460 0.008 0.000 0.980 294 Y HN 0.205 nan 8.280 nan 0.000 0.499 295 K N 2.804 123.146 120.400 -0.095 0.000 2.264 295 K HA 0.261 4.582 4.320 0.002 0.000 0.277 295 K C -1.208 175.347 176.600 -0.076 0.000 1.067 295 K CA -0.257 55.921 56.287 -0.182 0.000 0.900 295 K CB 0.405 32.923 32.500 0.031 0.000 1.124 295 K HN 0.362 nan 8.250 nan 0.000 0.469 296 R N 3.259 123.697 120.500 -0.103 0.000 2.686 296 R HA 0.378 4.719 4.340 0.002 0.000 0.286 296 R C -0.606 175.666 176.300 -0.047 0.000 0.969 296 R CA -1.011 55.067 56.100 -0.036 0.000 0.898 296 R CB 1.521 31.823 30.300 0.003 0.000 1.183 296 R HN 0.575 nan 8.270 nan 0.000 0.456 297 N N 3.095 121.777 118.700 -0.030 0.000 2.430 297 N HA 0.257 4.998 4.740 0.002 0.000 0.292 297 N C -2.188 173.293 175.510 -0.048 0.000 1.051 297 N CA -1.553 51.475 53.050 -0.038 0.000 0.917 297 N CB 1.595 40.066 38.487 -0.027 0.000 1.164 297 N HN 0.296 nan 8.380 nan 0.000 0.484 298 P HA 0.090 nan 4.420 nan 0.000 0.218 298 P C 0.733 177.983 177.300 -0.084 0.000 1.793 298 P CA -0.160 62.892 63.100 -0.081 0.000 0.941 298 P CB 0.155 31.799 31.700 -0.093 0.000 1.919 299 M N 1.437 120.999 119.600 -0.064 0.000 2.159 299 M HA -0.112 4.369 4.480 0.002 0.000 0.263 299 M C 2.023 178.281 176.300 -0.069 0.000 1.063 299 M CA 1.834 57.100 55.300 -0.056 0.000 1.110 299 M CB -0.416 32.164 32.600 -0.033 0.000 1.374 299 M HN -0.087 nan 8.290 nan 0.000 0.411 300 R N -1.124 119.330 120.500 -0.077 0.000 2.075 300 R HA -0.042 4.299 4.340 0.002 0.000 0.232 300 R C 2.221 178.446 176.300 -0.125 0.000 1.126 300 R CA 1.671 57.717 56.100 -0.089 0.000 0.963 300 R CB -0.514 29.735 30.300 -0.086 0.000 0.858 300 R HN 0.381 nan 8.270 nan 0.000 0.435 301 S N 0.790 116.402 115.700 -0.146 0.000 2.383 301 S HA -0.133 4.338 4.470 0.002 0.000 0.227 301 S C 1.657 176.139 174.600 -0.195 0.000 1.026 301 S CA 1.151 59.237 58.200 -0.189 0.000 0.981 301 S CB -0.074 63.003 63.200 -0.206 0.000 0.818 301 S HN 0.360 nan 8.310 nan 0.000 0.472 302 E N 0.857 120.963 120.200 -0.157 0.000 2.077 302 E HA -0.176 4.175 4.350 0.002 0.000 0.193 302 E C 2.309 178.823 176.600 -0.144 0.000 0.989 302 E CA 0.859 57.171 56.400 -0.146 0.000 0.800 302 E CB -0.117 29.522 29.700 -0.102 0.000 0.746 302 E HN 0.330 nan 8.360 nan 0.000 0.452 303 R N 0.417 120.840 120.500 -0.128 0.000 2.081 303 R HA -0.147 4.194 4.340 0.002 0.000 0.235 303 R C 2.291 178.481 176.300 -0.183 0.000 1.131 303 R CA 1.593 57.607 56.100 -0.144 0.000 0.960 303 R CB -0.354 29.875 30.300 -0.118 0.000 0.856 303 R HN 0.231 nan 8.270 nan 0.000 0.436 304 C N -0.182 119.010 119.300 -0.180 0.000 2.429 304 C HA -0.132 4.329 4.460 0.002 0.000 0.277 304 C C 2.933 177.810 174.990 -0.188 0.000 1.262 304 C CA 0.541 59.450 59.018 -0.183 0.000 1.733 304 C CB -0.968 26.660 27.740 -0.186 0.000 2.010 304 C HN 0.696 nan 8.230 nan 0.000 0.483 305 C N -0.482 118.665 119.300 -0.254 0.000 2.429 305 C HA -0.115 4.346 4.460 0.002 0.000 0.277 305 C C 3.155 178.088 174.990 -0.095 0.000 1.262 305 C CA 1.697 60.510 59.018 -0.341 0.000 1.733 305 C CB -1.507 25.884 27.740 -0.582 0.000 2.010 305 C HN 0.722 nan 8.230 nan 0.000 0.483 306 S N 0.187 115.823 115.700 -0.106 0.000 2.368 306 S HA -0.075 4.396 4.470 0.002 0.000 0.225 306 S C 1.705 176.269 174.600 -0.058 0.000 1.030 306 S CA 1.361 59.523 58.200 -0.063 0.000 0.999 306 S CB -0.224 62.919 63.200 -0.095 0.000 0.844 306 S HN 0.588 nan 8.310 nan 0.000 0.459 307 L N 0.741 121.894 121.223 -0.117 0.000 2.131 307 L HA 0.053 4.394 4.340 0.002 0.000 0.206 307 L C 2.835 179.690 176.870 -0.026 0.000 1.087 307 L CA 0.963 55.736 54.840 -0.110 0.000 0.767 307 L CB -0.618 41.312 42.059 -0.214 0.000 0.917 307 L HN 0.346 nan 8.230 nan 0.000 0.441 308 A N 0.316 123.122 122.820 -0.023 0.000 1.940 308 A HA -0.261 4.060 4.320 0.002 0.000 0.219 308 A C 2.428 180.032 177.584 0.033 0.000 1.176 308 A CA 1.845 53.887 52.037 0.008 0.000 0.631 308 A CB -0.605 18.418 19.000 0.038 0.000 0.814 308 A HN 0.363 nan 8.150 nan 0.000 0.446 309 R N -1.414 119.135 120.500 0.081 0.000 2.091 309 R HA -0.242 4.099 4.340 0.002 0.000 0.238 309 R C 2.165 178.482 176.300 0.028 0.000 1.136 309 R CA 2.046 58.168 56.100 0.036 0.000 0.959 309 R CB -0.489 29.849 30.300 0.063 0.000 0.856 309 R HN 0.682 nan 8.270 nan 0.000 0.437 310 H N -0.029 119.011 119.070 -0.050 0.000 2.387 310 H HA -0.101 4.456 4.556 0.002 0.000 0.299 310 H C 1.699 176.987 175.328 -0.067 0.000 1.090 310 H CA 1.557 57.572 56.048 -0.056 0.000 1.332 310 H CB -0.072 29.654 29.762 -0.060 0.000 1.386 310 H HN 0.156 nan 8.280 nan 0.000 0.516 311 L N -0.226 120.942 121.223 -0.092 0.000 2.046 311 L HA -0.147 4.194 4.340 0.002 0.000 0.208 311 L C 2.277 179.050 176.870 -0.161 0.000 1.077 311 L CA 1.685 56.432 54.840 -0.155 0.000 0.747 311 L CB -0.557 41.438 42.059 -0.106 0.000 0.896 311 L HN 0.400 nan 8.230 nan 0.000 0.432 312 M N -2.121 117.408 119.600 -0.119 0.000 2.132 312 M HA -0.175 4.306 4.480 0.002 0.000 0.263 312 M C 2.070 178.298 176.300 -0.120 0.000 1.065 312 M CA 1.886 57.121 55.300 -0.110 0.000 1.122 312 M CB -0.685 31.855 32.600 -0.098 0.000 1.365 312 M HN 0.168 nan 8.290 nan 0.000 0.411 313 T N 1.469 115.944 114.554 -0.132 0.000 2.699 313 T HA -0.136 4.215 4.350 0.002 0.000 0.268 313 T C 1.758 176.357 174.700 -0.168 0.000 1.036 313 T CA 1.190 63.212 62.100 -0.130 0.000 1.147 313 T CB -0.353 68.452 68.868 -0.103 0.000 0.862 313 T HN 0.327 nan 8.240 nan 0.000 0.446 314 L N 0.753 121.821 121.223 -0.257 0.000 2.362 314 L HA -0.009 4.332 4.340 0.002 0.000 0.219 314 L C 2.526 179.312 176.870 -0.139 0.000 1.134 314 L CA 0.335 55.031 54.840 -0.240 0.000 0.807 314 L CB -0.429 41.436 42.059 -0.323 0.000 0.927 314 L HN 0.150 nan 8.230 nan 0.000 0.447 315 V N 0.084 119.928 119.914 -0.117 0.000 2.594 315 V HA -0.274 3.847 4.120 0.002 0.000 0.253 315 V C 2.369 178.429 176.094 -0.056 0.000 1.069 315 V CA 1.380 63.634 62.300 -0.078 0.000 1.082 315 V CB -0.093 31.689 31.823 -0.068 0.000 0.680 315 V HN 0.381 nan 8.190 nan 0.000 0.469 316 M N -0.951 118.613 119.600 -0.060 0.000 2.460 316 M HA -0.056 4.425 4.480 0.002 0.000 0.263 316 M C 1.719 177.995 176.300 -0.040 0.000 1.071 316 M CA 1.113 56.387 55.300 -0.045 0.000 1.096 316 M CB -1.327 31.246 32.600 -0.044 0.000 1.408 316 M HN 0.372 nan 8.290 nan 0.000 0.463 317 D N 0.878 121.250 120.400 -0.047 0.000 2.075 317 D HA -0.078 4.563 4.640 0.002 0.000 0.196 317 D C -0.680 175.604 176.300 -0.026 0.000 0.985 317 D CA 1.510 55.487 54.000 -0.037 0.000 0.834 317 D CB -1.330 39.445 40.800 -0.041 0.000 0.987 317 D HN 0.200 nan 8.370 nan 0.000 0.452 318 P HA -0.069 nan 4.420 nan 0.000 0.218 318 P C 2.018 179.315 177.300 -0.004 0.000 1.149 318 P CA 0.743 63.842 63.100 -0.002 0.000 0.817 318 P CB 0.043 31.755 31.700 0.020 0.000 0.785 319 L N -0.411 120.806 121.223 -0.010 0.000 1.989 319 L HA -0.225 4.116 4.340 0.002 0.000 0.211 319 L C 3.027 179.889 176.870 -0.013 0.000 1.071 319 L CA 1.861 56.696 54.840 -0.008 0.000 0.749 319 L CB -1.108 40.943 42.059 -0.012 0.000 0.890 319 L HN -0.018 nan 8.230 nan 0.000 0.431 320 Q N -0.992 118.796 119.800 -0.020 0.000 2.050 320 Q HA -0.193 4.148 4.340 0.002 0.000 0.202 320 Q C 2.187 178.167 176.000 -0.034 0.000 0.980 320 Q CA 2.101 57.890 55.803 -0.024 0.000 0.840 320 Q CB -0.264 28.458 28.738 -0.027 0.000 0.898 320 Q HN 0.493 nan 8.270 nan 0.000 0.424 321 T N 0.914 115.445 114.554 -0.039 0.000 2.652 321 T HA -0.206 4.145 4.350 0.002 0.000 0.267 321 T C 1.895 176.559 174.700 -0.059 0.000 1.039 321 T CA 1.418 63.483 62.100 -0.057 0.000 1.153 321 T CB -0.375 68.463 68.868 -0.049 0.000 0.863 321 T HN 0.426 nan 8.240 nan 0.000 0.428 322 A N 1.759 124.558 122.820 -0.035 0.000 1.933 322 A HA -0.119 4.202 4.320 0.002 0.000 0.218 322 A C 2.559 180.129 177.584 -0.023 0.000 1.175 322 A CA 2.234 54.255 52.037 -0.027 0.000 0.628 322 A CB -0.909 18.089 19.000 -0.002 0.000 0.814 322 A HN 0.625 nan 8.150 nan 0.000 0.444 323 S N -0.317 115.374 115.700 -0.016 0.000 2.447 323 S HA -0.052 4.419 4.470 0.002 0.000 0.233 323 S C 1.198 175.806 174.600 0.013 0.000 1.006 323 S CA 1.360 59.560 58.200 -0.001 0.000 0.957 323 S CB -0.680 62.522 63.200 0.002 0.000 0.773 323 S HN 1.211 nan 8.310 nan 0.000 0.507 324 V N -2.431 117.472 119.914 -0.018 0.000 3.070 324 V HA 0.417 4.538 4.120 0.002 0.000 0.345 324 V C -0.103 175.880 176.094 -0.184 0.000 1.403 324 V CA -0.722 61.568 62.300 -0.016 0.000 1.155 324 V CB -0.189 31.610 31.823 -0.039 0.000 1.140 324 V HN 0.170 nan 8.190 nan 0.000 0.505 325 Q N 2.014 121.746 119.800 -0.114 0.000 2.281 325 Q HA 0.187 4.528 4.340 0.002 0.000 0.267 325 Q C -1.085 174.927 176.000 0.019 0.000 1.053 325 Q CA 0.278 56.000 55.803 -0.135 0.000 0.905 325 Q CB 0.854 29.541 28.738 -0.085 0.000 1.195 325 Q HN 0.693 nan 8.270 nan 0.000 0.398 326 W N 4.134 125.380 121.300 -0.089 0.000 2.338 326 W HA 0.178 4.837 4.660 -0.000 0.000 0.307 326 W C 0.594 177.088 176.519 -0.041 0.000 1.167 326 W CA -1.165 56.074 57.345 -0.177 0.000 1.208 326 W CB -0.548 28.866 29.460 -0.077 0.000 1.228 326 W HN 0.620 nan 8.180 nan 0.000 0.499 327 F N 0.160 120.229 119.950 0.198 0.000 2.271 327 F HA -0.432 4.097 4.527 0.004 0.000 0.306 327 F C 1.668 177.507 175.800 0.065 0.000 1.484 327 F CA 1.672 59.735 58.000 0.105 0.000 1.166 327 F CB -1.112 37.947 39.000 0.098 0.000 3.762 327 F HN 0.245 nan 8.300 nan 0.000 0.149 328 E N 1.370 121.743 120.200 0.287 0.000 2.478 328 E HA 0.248 4.599 4.350 0.002 0.000 0.194 328 E C -0.253 176.395 176.600 0.079 0.000 1.045 328 E CA 0.887 57.368 56.400 0.135 0.000 0.868 328 E CB 0.236 29.997 29.700 0.101 0.000 0.885 328 E HN 0.487 nan 8.360 nan 0.000 0.505 329 R N -2.829 117.733 120.500 0.104 0.000 4.787 329 R HA 0.078 4.419 4.340 0.002 0.000 0.249 329 R C -1.359 174.961 176.300 0.034 0.000 0.937 329 R CA -0.100 56.019 56.100 0.031 0.000 1.104 329 R CB -1.060 29.221 30.300 -0.031 0.000 1.316 329 R HN -0.017 nan 8.270 nan 0.000 0.620 330 T N -0.452 114.071 114.554 -0.052 0.000 2.912 330 T HA 0.591 4.942 4.350 0.002 0.000 0.288 330 T C 0.229 174.855 174.700 -0.123 0.000 1.030 330 T CA -1.059 60.977 62.100 -0.106 0.000 1.020 330 T CB 1.604 70.295 68.868 -0.294 0.000 1.056 330 T HN 0.410 nan 8.240 nan 0.000 0.480 331 L N 1.900 123.061 121.223 -0.102 0.000 2.627 331 L HA 0.153 4.494 4.340 0.002 0.000 0.233 331 L C 1.922 178.730 176.870 -0.103 0.000 1.144 331 L CA 0.672 55.461 54.840 -0.085 0.000 0.892 331 L CB -0.555 41.473 42.059 -0.051 0.000 1.039 331 L HN 0.835 nan 8.230 nan 0.000 0.442 332 D N -1.285 119.023 120.400 -0.153 0.000 2.363 332 D HA -0.171 4.470 4.640 0.002 0.000 0.226 332 D C 1.055 177.280 176.300 -0.124 0.000 1.020 332 D CA 0.671 54.581 54.000 -0.151 0.000 0.892 332 D CB -0.080 40.588 40.800 -0.220 0.000 0.900 332 D HN 0.445 nan 8.370 nan 0.000 0.531 333 D N 0.357 120.687 120.400 -0.116 0.000 2.289 333 D HA -0.110 4.531 4.640 0.002 0.000 0.207 333 D C 1.754 178.019 176.300 -0.057 0.000 0.966 333 D CA 0.359 54.305 54.000 -0.090 0.000 0.868 333 D CB -0.133 40.603 40.800 -0.107 0.000 0.943 333 D HN 0.134 nan 8.370 nan 0.000 0.514 334 S N 0.413 116.082 115.700 -0.051 0.000 2.338 334 S HA -0.026 4.445 4.470 0.002 0.000 0.218 334 S C 2.199 176.799 174.600 -0.001 0.000 1.032 334 S CA 1.611 59.797 58.200 -0.022 0.000 0.999 334 S CB -0.543 62.644 63.200 -0.022 0.000 0.905 334 S HN 0.376 nan 8.310 nan 0.000 0.439 335 A N 2.319 125.136 122.820 -0.006 0.000 1.908 335 A HA -0.170 4.151 4.320 0.002 0.000 0.218 335 A C 2.135 179.723 177.584 0.007 0.000 1.181 335 A CA 1.906 53.946 52.037 0.005 0.000 0.627 335 A CB -1.207 17.792 19.000 -0.002 0.000 0.818 335 A HN 0.708 nan 8.150 nan 0.000 0.445 336 N N -0.163 118.532 118.700 -0.007 0.000 2.069 336 N HA -0.181 4.560 4.740 0.002 0.000 0.191 336 N C 1.950 177.466 175.510 0.010 0.000 1.031 336 N CA 1.627 54.673 53.050 -0.005 0.000 0.852 336 N CB -0.240 38.234 38.487 -0.022 0.000 1.018 336 N HN 0.535 nan 8.380 nan 0.000 0.423 337 R N 0.441 120.951 120.500 0.016 0.000 2.120 337 R HA 0.018 4.359 4.340 0.002 0.000 0.234 337 R C 2.374 178.712 176.300 0.063 0.000 1.123 337 R CA 0.895 57.021 56.100 0.044 0.000 0.975 337 R CB -0.109 30.219 30.300 0.047 0.000 0.866 337 R HN 0.278 nan 8.270 nan 0.000 0.446 338 R N 0.151 120.683 120.500 0.053 0.000 2.159 338 R HA -0.101 4.240 4.340 0.002 0.000 0.237 338 R C 1.975 178.303 176.300 0.048 0.000 1.131 338 R CA 1.248 57.385 56.100 0.061 0.000 0.982 338 R CB -0.174 30.158 30.300 0.054 0.000 0.868 338 R HN 0.275 nan 8.270 nan 0.000 0.453 339 I N -0.405 120.187 120.570 0.036 0.000 2.499 339 I HA -0.210 3.961 4.170 0.002 0.000 0.243 339 I C 2.714 178.840 176.117 0.014 0.000 1.085 339 I CA 0.618 61.936 61.300 0.030 0.000 1.422 339 I CB -0.301 37.719 38.000 0.032 0.000 1.165 339 I HN 0.291 nan 8.210 nan 0.000 0.440 340 C N 0.806 120.113 119.300 0.012 0.000 2.467 340 C HA 0.070 4.531 4.460 0.002 0.000 0.279 340 C C 2.574 177.560 174.990 -0.006 0.000 1.347 340 C CA -0.143 58.869 59.018 -0.009 0.000 1.748 340 C CB -1.309 26.419 27.740 -0.020 0.000 1.977 340 C HN 0.392 nan 8.230 nan 0.000 0.501 341 L N 1.956 123.207 121.223 0.046 0.000 2.005 341 L HA -0.019 4.322 4.340 0.002 0.000 0.207 341 L C 3.313 180.175 176.870 -0.014 0.000 1.072 341 L CA 1.765 56.688 54.840 0.137 0.000 0.744 341 L CB -1.109 41.100 42.059 0.250 0.000 0.895 341 L HN 0.393 nan 8.230 nan 0.000 0.433 342 A N -0.014 122.635 122.820 -0.285 0.000 1.883 342 A HA -0.240 4.081 4.320 0.002 0.000 0.217 342 A C 2.176 179.438 177.584 -0.537 0.000 1.186 342 A CA 1.838 53.281 52.037 -0.990 0.000 0.624 342 A CB -0.566 18.109 19.000 -0.541 0.000 0.822 342 A HN 0.458 nan 8.150 nan 0.000 0.444 343 E N -0.486 119.589 120.200 -0.208 0.000 2.110 343 E HA -0.139 4.212 4.350 0.002 0.000 0.193 343 E C 2.333 178.893 176.600 -0.067 0.000 0.988 343 E CA 0.921 57.276 56.400 -0.074 0.000 0.804 343 E CB -0.276 29.455 29.700 0.051 0.000 0.745 343 E HN 0.631 nan 8.360 nan 0.000 0.458 344 A N 0.618 123.371 122.820 -0.112 0.000 1.902 344 A HA -0.158 4.163 4.320 0.002 0.000 0.217 344 A C 1.860 179.303 177.584 -0.235 0.000 1.181 344 A CA 1.130 53.056 52.037 -0.184 0.000 0.623 344 A CB -0.657 18.197 19.000 -0.243 0.000 0.818 344 A HN 0.163 nan 8.150 nan 0.000 0.443 345 F N -0.129 119.728 119.950 -0.154 0.000 2.206 345 F HA -0.006 4.523 4.527 0.002 0.000 0.298 345 F C 2.070 177.831 175.800 -0.065 0.000 1.090 345 F CA 1.097 59.052 58.000 -0.076 0.000 1.323 345 F CB -0.307 38.707 39.000 0.023 0.000 1.028 345 F HN 0.080 nan 8.300 nan 0.000 0.492 346 L N -0.961 120.273 121.223 0.019 0.000 2.093 346 L HA -0.189 4.152 4.340 0.002 0.000 0.208 346 L C 2.317 179.203 176.870 0.027 0.000 1.085 346 L CA 1.390 56.249 54.840 0.032 0.000 0.755 346 L CB -1.092 40.958 42.059 -0.016 0.000 0.904 346 L HN 0.104 nan 8.230 nan 0.000 0.435 347 T N -0.009 114.543 114.554 -0.004 0.000 2.674 347 T HA -0.168 4.183 4.350 0.002 0.000 0.265 347 T C 2.066 176.736 174.700 -0.050 0.000 1.039 347 T CA 1.379 63.462 62.100 -0.028 0.000 1.150 347 T CB -0.282 68.590 68.868 0.006 0.000 0.864 347 T HN 0.431 nan 8.240 nan 0.000 0.427 348 A N 1.532 124.315 122.820 -0.061 0.000 1.883 348 A HA -0.193 4.128 4.320 0.002 0.000 0.217 348 A C 2.077 179.655 177.584 -0.010 0.000 1.186 348 A CA 2.281 54.281 52.037 -0.063 0.000 0.624 348 A CB -1.024 17.903 19.000 -0.120 0.000 0.822 348 A HN 0.555 nan 8.150 nan 0.000 0.444 349 D N -1.131 119.295 120.400 0.044 0.000 2.092 349 D HA -0.135 4.506 4.640 0.002 0.000 0.193 349 D C 1.996 178.312 176.300 0.027 0.000 0.994 349 D CA 2.153 56.191 54.000 0.063 0.000 0.828 349 D CB -0.139 40.726 40.800 0.110 0.000 0.963 349 D HN 0.382 nan 8.370 nan 0.000 0.450 350 T N 0.005 114.568 114.554 0.014 0.000 2.684 350 T HA -0.157 4.194 4.350 0.002 0.000 0.267 350 T C 2.089 176.759 174.700 -0.049 0.000 1.036 350 T CA 1.211 63.307 62.100 -0.007 0.000 1.148 350 T CB -0.372 68.473 68.868 -0.037 0.000 0.863 350 T HN 0.199 nan 8.240 nan 0.000 0.436 351 I N 0.652 121.178 120.570 -0.073 0.000 2.208 351 I HA -0.152 4.019 4.170 0.002 0.000 0.245 351 I C 2.238 178.314 176.117 -0.069 0.000 1.097 351 I CA 1.268 62.515 61.300 -0.089 0.000 1.363 351 I CB -0.356 37.588 38.000 -0.092 0.000 1.051 351 I HN 0.205 nan 8.210 nan 0.000 0.413 352 L N 0.093 121.289 121.223 -0.045 0.000 2.109 352 L HA -0.151 4.190 4.340 0.002 0.000 0.207 352 L C 2.253 179.105 176.870 -0.031 0.000 1.086 352 L CA 0.860 55.678 54.840 -0.038 0.000 0.760 352 L CB -0.744 41.302 42.059 -0.022 0.000 0.910 352 L HN 0.309 nan 8.230 nan 0.000 0.437 353 N N -0.203 118.486 118.700 -0.018 0.000 2.084 353 N HA -0.146 4.595 4.740 0.002 0.000 0.190 353 N C 1.849 177.344 175.510 -0.025 0.000 1.030 353 N CA 1.965 55.008 53.050 -0.011 0.000 0.849 353 N CB -0.634 37.858 38.487 0.008 0.000 1.012 353 N HN 0.251 nan 8.380 nan 0.000 0.423 354 T N 1.647 116.178 114.554 -0.038 0.000 2.777 354 T HA -0.070 4.281 4.350 0.002 0.000 0.266 354 T C 1.947 176.603 174.700 -0.074 0.000 1.040 354 T CA 0.483 62.551 62.100 -0.054 0.000 1.141 354 T CB -0.312 68.514 68.868 -0.071 0.000 0.868 354 T HN 0.035 nan 8.240 nan 0.000 0.444 355 L N 1.168 122.341 121.223 -0.083 0.000 2.141 355 L HA -0.019 4.322 4.340 0.002 0.000 0.209 355 L C 2.458 179.280 176.870 -0.081 0.000 1.094 355 L CA 1.583 56.363 54.840 -0.100 0.000 0.763 355 L CB -0.744 41.253 42.059 -0.103 0.000 0.908 355 L HN 0.266 nan 8.230 nan 0.000 0.437 356 Q N -0.878 118.888 119.800 -0.057 0.000 2.061 356 Q HA -0.252 4.089 4.340 0.002 0.000 0.204 356 Q C 2.083 178.055 176.000 -0.046 0.000 0.984 356 Q CA 1.755 57.533 55.803 -0.042 0.000 0.846 356 Q CB -0.444 28.277 28.738 -0.027 0.000 0.902 356 Q HN 0.596 nan 8.270 nan 0.000 0.421 357 N N 0.937 119.610 118.700 -0.046 0.000 2.120 357 N HA -0.162 4.579 4.740 0.002 0.000 0.188 357 N C 1.735 177.204 175.510 -0.069 0.000 1.024 357 N CA 1.068 54.090 53.050 -0.045 0.000 0.852 357 N CB -0.025 38.440 38.487 -0.036 0.000 1.003 357 N HN 0.236 nan 8.380 nan 0.000 0.424 358 I N 0.949 121.463 120.570 -0.093 0.000 2.226 358 I HA -0.230 3.941 4.170 0.002 0.000 0.245 358 I C 2.345 178.374 176.117 -0.145 0.000 1.100 358 I CA 1.262 62.484 61.300 -0.129 0.000 1.374 358 I CB -0.312 37.594 38.000 -0.158 0.000 1.057 358 I HN 0.215 nan 8.210 nan 0.000 0.413 359 S N -0.308 115.319 115.700 -0.122 0.000 2.515 359 S HA -0.053 4.418 4.470 0.002 0.000 0.231 359 S C 0.784 175.329 174.600 -0.092 0.000 0.987 359 S CA 0.329 58.456 58.200 -0.122 0.000 0.936 359 S CB -0.452 62.706 63.200 -0.069 0.000 0.766 359 S HN 0.412 nan 8.310 nan 0.000 0.528 360 E N 1.276 121.435 120.200 -0.068 0.000 1.986 360 E HA 0.493 4.844 4.350 0.002 0.000 0.264 360 E C 0.165 176.741 176.600 -0.041 0.000 1.023 360 E CA -0.156 56.224 56.400 -0.033 0.000 0.834 360 E CB 0.464 30.154 29.700 -0.016 0.000 1.111 360 E HN 0.516 nan 8.360 nan 0.000 0.417 361 G N 3.066 111.845 108.800 -0.035 0.000 2.270 361 G HA2 -0.220 3.741 3.960 0.002 0.000 0.224 361 G HA3 -0.220 3.741 3.960 0.002 0.000 0.224 361 G C -0.195 174.636 174.900 -0.114 0.000 1.079 361 G CA -0.767 44.312 45.100 -0.036 0.000 0.807 361 G HN 0.380 nan 8.290 nan 0.000 0.492 362 L N 0.721 121.846 121.223 -0.162 0.000 2.513 362 L HA 0.386 4.727 4.340 0.002 0.000 0.272 362 L C 0.893 177.681 176.870 -0.137 0.000 1.187 362 L CA -0.044 54.650 54.840 -0.243 0.000 0.895 362 L CB 1.204 42.937 42.059 -0.544 0.000 1.147 362 L HN 0.144 nan 8.230 nan 0.000 0.483 363 V N 6.007 125.795 119.914 -0.210 0.000 2.432 363 V HA 0.415 4.536 4.120 0.002 0.000 0.275 363 V C 0.092 176.069 176.094 -0.195 0.000 1.043 363 V CA -0.626 61.517 62.300 -0.260 0.000 0.925 363 V CB 1.581 33.104 31.823 -0.500 0.000 0.985 363 V HN 0.469 nan 8.190 nan 0.000 0.466 364 V N 5.265 125.052 119.914 -0.212 0.000 2.555 364 V HA 0.458 4.579 4.120 0.002 0.000 0.302 364 V C -1.161 174.753 176.094 -0.301 0.000 1.038 364 V CA -0.710 61.535 62.300 -0.091 0.000 0.887 364 V CB 1.915 33.787 31.823 0.081 0.000 0.991 364 V HN 0.773 nan 8.190 nan 0.000 0.434 365 Y N 4.796 125.154 120.300 0.097 0.000 2.919 365 Y HA 0.353 4.903 4.550 0.001 0.000 0.341 365 Y C -1.839 174.103 175.900 0.070 0.000 1.045 365 Y CA -2.221 55.930 58.100 0.085 0.000 1.218 365 Y CB 1.186 39.697 38.460 0.084 0.000 1.137 365 Y HN 0.503 nan 8.280 nan 0.000 0.577 366 P HA -0.195 nan 4.420 nan 0.000 0.217 366 P C 1.304 178.664 177.300 0.099 0.000 1.148 366 P CA 1.453 64.611 63.100 0.096 0.000 0.828 366 P CB 0.475 32.208 31.700 0.054 0.000 0.783 367 K N -0.887 119.586 120.400 0.122 0.000 2.296 367 K HA 0.049 4.370 4.320 0.002 0.000 0.200 367 K C 1.891 178.545 176.600 0.090 0.000 1.048 367 K CA 0.633 56.977 56.287 0.094 0.000 0.966 367 K CB -0.774 31.782 32.500 0.093 0.000 0.754 367 K HN 0.134 nan 8.250 nan 0.000 0.466 368 V N 1.515 121.502 119.914 0.122 0.000 2.346 368 V HA -0.157 3.964 4.120 0.002 0.000 0.244 368 V C 2.290 178.439 176.094 0.092 0.000 1.037 368 V CA 1.147 63.505 62.300 0.097 0.000 1.029 368 V CB -0.351 31.530 31.823 0.098 0.000 0.663 368 V HN 0.124 nan 8.190 nan 0.000 0.454 369 I N 0.120 120.755 120.570 0.108 0.000 2.151 369 I HA -0.300 3.871 4.170 0.002 0.000 0.243 369 I C 2.581 178.724 176.117 0.043 0.000 1.080 369 I CA 1.889 63.239 61.300 0.082 0.000 1.339 369 I CB -0.421 37.628 38.000 0.081 0.000 1.039 369 I HN 0.374 nan 8.210 nan 0.000 0.409 370 E N 0.299 120.522 120.200 0.039 0.000 2.058 370 E HA -0.291 4.060 4.350 0.002 0.000 0.194 370 E C 2.265 178.869 176.600 0.007 0.000 0.997 370 E CA 1.303 57.712 56.400 0.016 0.000 0.801 370 E CB -0.168 29.544 29.700 0.020 0.000 0.746 370 E HN 0.344 nan 8.360 nan 0.000 0.450 371 R N 1.203 121.715 120.500 0.020 0.000 2.080 371 R HA -0.197 4.144 4.340 0.002 0.000 0.236 371 R C 2.410 178.715 176.300 0.008 0.000 1.137 371 R CA 1.900 58.008 56.100 0.014 0.000 0.943 371 R CB -0.152 30.164 30.300 0.026 0.000 0.846 371 R HN -0.025 nan 8.270 nan 0.000 0.431 372 R N 0.355 120.869 120.500 0.023 0.000 2.091 372 R HA -0.126 4.215 4.340 0.002 0.000 0.238 372 R C 2.281 178.574 176.300 -0.012 0.000 1.136 372 R CA 2.049 58.163 56.100 0.025 0.000 0.959 372 R CB -0.362 29.973 30.300 0.059 0.000 0.856 372 R HN 0.351 nan 8.270 nan 0.000 0.437 373 I N 0.363 120.914 120.570 -0.032 0.000 2.208 373 I HA -0.308 3.863 4.170 0.002 0.000 0.245 373 I C 2.478 178.540 176.117 -0.091 0.000 1.097 373 I CA 1.483 62.738 61.300 -0.074 0.000 1.363 373 I CB -0.241 37.717 38.000 -0.071 0.000 1.051 373 I HN 0.251 nan 8.210 nan 0.000 0.413 374 R N 0.128 120.586 120.500 -0.069 0.000 2.115 374 R HA -0.139 4.202 4.340 0.002 0.000 0.230 374 R C 2.228 178.470 176.300 -0.098 0.000 1.111 374 R CA 0.868 56.917 56.100 -0.085 0.000 0.976 374 R CB -0.134 30.130 30.300 -0.059 0.000 0.870 374 R HN 0.435 nan 8.270 nan 0.000 0.445 375 Q N 0.045 119.811 119.800 -0.057 0.000 2.230 375 Q HA -0.091 4.250 4.340 0.002 0.000 0.202 375 Q C 1.325 177.318 176.000 -0.012 0.000 0.963 375 Q CA 1.090 56.873 55.803 -0.034 0.000 0.866 375 Q CB 0.344 29.091 28.738 0.017 0.000 0.931 375 Q HN 0.354 nan 8.270 nan 0.000 0.452 376 E N -0.282 119.907 120.200 -0.018 0.000 2.372 376 E HA 0.009 4.360 4.350 0.002 0.000 0.201 376 E C 1.887 178.462 176.600 -0.042 0.000 0.938 376 E CA -0.118 56.316 56.400 0.057 0.000 0.944 376 E CB 0.020 29.735 29.700 0.026 0.000 0.937 376 E HN 0.108 nan 8.360 nan 0.000 0.495 377 L N 2.219 123.337 121.223 -0.174 0.000 2.046 377 L HA -0.057 4.284 4.340 0.002 0.000 0.208 377 L C -0.995 175.689 176.870 -0.310 0.000 1.077 377 L CA 2.007 56.664 54.840 -0.305 0.000 0.747 377 L CB -1.340 40.484 42.059 -0.391 0.000 0.896 377 L HN -0.017 nan 8.230 nan 0.000 0.432 378 P HA -0.186 nan 4.420 nan 0.000 0.216 378 P C 1.539 178.661 177.300 -0.297 0.000 1.150 378 P CA 1.627 64.514 63.100 -0.355 0.000 0.843 378 P CB -0.186 31.217 31.700 -0.496 0.000 0.787 379 F N -1.551 118.342 119.950 -0.095 0.000 2.216 379 F HA -0.060 4.468 4.527 0.002 0.000 0.300 379 F C 2.247 178.011 175.800 -0.061 0.000 1.085 379 F CA 1.212 59.170 58.000 -0.069 0.000 1.326 379 F CB -1.262 37.701 39.000 -0.061 0.000 1.027 379 F HN -0.117 nan 8.300 nan 0.000 0.497 380 M N -0.988 118.647 119.600 0.058 0.000 2.556 380 M HA 0.170 4.651 4.480 0.002 0.000 0.245 380 M C 1.658 177.964 176.300 0.010 0.000 1.128 380 M CA 0.577 55.883 55.300 0.009 0.000 1.069 380 M CB -0.096 32.463 32.600 -0.069 0.000 1.469 380 M HN 0.099 nan 8.290 nan 0.000 0.494 381 A N 0.121 122.924 122.820 -0.028 0.000 2.390 381 A HA 0.092 4.413 4.320 0.002 0.000 0.232 381 A C 1.976 179.632 177.584 0.120 0.000 1.233 381 A CA 0.518 52.613 52.037 0.098 0.000 0.907 381 A CB -0.663 18.345 19.000 0.013 0.000 0.967 381 A HN 0.477 nan 8.150 nan 0.000 0.512 382 T N -1.697 112.906 114.554 0.081 0.000 2.788 382 T HA -0.204 4.147 4.350 0.002 0.000 0.268 382 T C 1.618 176.394 174.700 0.127 0.000 1.044 382 T CA 1.697 63.845 62.100 0.080 0.000 1.139 382 T CB -0.238 68.667 68.868 0.062 0.000 0.867 382 T HN 0.358 nan 8.240 nan 0.000 0.454 383 E N 2.254 122.541 120.200 0.146 0.000 2.110 383 E HA -0.126 4.225 4.350 0.002 0.000 0.193 383 E C 1.899 178.580 176.600 0.135 0.000 0.988 383 E CA 1.480 57.971 56.400 0.151 0.000 0.804 383 E CB -0.631 29.152 29.700 0.139 0.000 0.745 383 E HN 0.641 nan 8.360 nan 0.000 0.458 384 N N -0.212 118.575 118.700 0.145 0.000 2.188 384 N HA -0.061 4.680 4.740 0.002 0.000 0.184 384 N C 1.711 177.289 175.510 0.114 0.000 1.018 384 N CA 1.321 54.443 53.050 0.119 0.000 0.858 384 N CB -0.155 38.422 38.487 0.149 0.000 0.989 384 N HN 0.271 nan 8.380 nan 0.000 0.426 385 I N 0.249 120.896 120.570 0.128 0.000 2.439 385 I HA -0.133 4.038 4.170 0.002 0.000 0.251 385 I C 1.710 177.931 176.117 0.174 0.000 1.139 385 I CA 0.754 62.135 61.300 0.134 0.000 1.438 385 I CB -0.134 37.925 38.000 0.098 0.000 1.085 385 I HN 0.081 nan 8.210 nan 0.000 0.427 386 I N 0.236 120.912 120.570 0.176 0.000 2.163 386 I HA -0.299 3.872 4.170 0.002 0.000 0.240 386 I C 2.618 178.803 176.117 0.114 0.000 1.081 386 I CA 1.524 62.929 61.300 0.175 0.000 1.353 386 I CB -0.255 37.862 38.000 0.194 0.000 1.054 386 I HN 0.165 nan 8.210 nan 0.000 0.407 387 M N 0.338 119.994 119.600 0.095 0.000 2.144 387 M HA -0.252 4.229 4.480 0.002 0.000 0.260 387 M C 2.453 178.778 176.300 0.042 0.000 1.067 387 M CA 2.130 57.465 55.300 0.059 0.000 1.095 387 M CB -0.484 32.145 32.600 0.049 0.000 1.365 387 M HN 0.356 nan 8.290 nan 0.000 0.406 388 A N -0.251 122.599 122.820 0.050 0.000 1.969 388 A HA -0.120 4.201 4.320 0.002 0.000 0.218 388 A C 2.102 179.693 177.584 0.012 0.000 1.169 388 A CA 1.168 53.223 52.037 0.030 0.000 0.635 388 A CB -0.370 18.656 19.000 0.044 0.000 0.810 388 A HN 0.372 nan 8.150 nan 0.000 0.445 389 M N -0.390 119.224 119.600 0.023 0.000 2.156 389 M HA -0.079 4.402 4.480 0.002 0.000 0.264 389 M C 2.189 178.467 176.300 -0.036 0.000 1.067 389 M CA 1.247 56.529 55.300 -0.030 0.000 1.131 389 M CB -1.172 31.404 32.600 -0.041 0.000 1.368 389 M HN 0.250 nan 8.290 nan 0.000 0.416 390 V N 0.424 120.336 119.914 -0.003 0.000 2.407 390 V HA -0.265 3.856 4.120 0.002 0.000 0.248 390 V C 2.402 178.489 176.094 -0.013 0.000 1.055 390 V CA 1.786 64.084 62.300 -0.004 0.000 1.049 390 V CB -0.953 30.879 31.823 0.015 0.000 0.662 390 V HN 0.480 nan 8.190 nan 0.000 0.455 391 K N 0.582 120.975 120.400 -0.011 0.000 2.097 391 K HA -0.109 4.212 4.320 0.002 0.000 0.205 391 K C 2.116 178.700 176.600 -0.027 0.000 1.050 391 K CA 1.405 57.682 56.287 -0.017 0.000 0.938 391 K CB -0.289 32.202 32.500 -0.014 0.000 0.718 391 K HN 0.433 nan 8.250 nan 0.000 0.442 392 A N -0.348 122.450 122.820 -0.037 0.000 2.014 392 A HA 0.117 4.438 4.320 0.002 0.000 0.218 392 A C 1.659 179.210 177.584 -0.054 0.000 1.163 392 A CA 1.477 53.485 52.037 -0.050 0.000 0.652 392 A CB -0.217 18.742 19.000 -0.067 0.000 0.808 392 A HN 0.576 nan 8.150 nan 0.000 0.449 393 G N -2.997 105.770 108.800 -0.055 0.000 2.935 393 G HA2 0.169 4.130 3.960 0.002 0.000 0.213 393 G HA3 0.169 4.130 3.960 0.002 0.000 0.213 393 G C 0.665 175.530 174.900 -0.059 0.000 0.984 393 G CA 0.157 45.226 45.100 -0.052 0.000 0.790 393 G HN 1.119 nan 8.290 nan 0.000 0.538 394 G N 0.370 109.121 108.800 -0.081 0.000 2.651 394 G HA2 0.503 4.464 3.960 0.002 0.000 0.260 394 G HA3 0.503 4.464 3.960 0.002 0.000 0.260 394 G C 0.364 175.247 174.900 -0.028 0.000 1.216 394 G CA 0.862 45.910 45.100 -0.088 0.000 0.913 394 G HN 0.968 nan 8.290 nan 0.000 0.535 395 S N -1.739 113.964 115.700 0.005 0.000 2.632 395 S HA 0.273 4.744 4.470 0.002 0.000 0.271 395 S C 1.376 176.013 174.600 0.061 0.000 1.260 395 S CA -0.559 57.661 58.200 0.033 0.000 1.010 395 S CB 1.434 64.661 63.200 0.045 0.000 0.965 395 S HN 0.617 nan 8.310 nan 0.000 0.534 396 R N 0.749 121.282 120.500 0.055 0.000 2.189 396 R HA 0.113 4.454 4.340 0.002 0.000 0.203 396 R C 1.978 178.332 176.300 0.090 0.000 1.012 396 R CA 0.591 56.736 56.100 0.075 0.000 1.015 396 R CB -0.223 30.103 30.300 0.043 0.000 0.938 396 R HN 0.697 nan 8.270 nan 0.000 0.472 397 Q N 0.701 120.538 119.800 0.061 0.000 2.137 397 Q HA -0.116 4.225 4.340 0.002 0.000 0.198 397 Q C 1.171 177.223 176.000 0.087 0.000 0.960 397 Q CA 1.980 57.818 55.803 0.059 0.000 0.847 397 Q CB -0.020 28.735 28.738 0.028 0.000 0.915 397 Q HN 0.242 nan 8.270 nan 0.000 0.448 398 D N -1.384 119.065 120.400 0.082 0.000 2.103 398 D HA -0.132 4.509 4.640 0.002 0.000 0.199 398 D C 1.798 178.142 176.300 0.073 0.000 0.978 398 D CA 1.221 55.263 54.000 0.069 0.000 0.829 398 D CB -0.379 40.484 40.800 0.104 0.000 0.981 398 D HN 0.390 nan 8.370 nan 0.000 0.464 399 C N -0.457 118.950 119.300 0.178 0.000 2.457 399 C HA -0.048 4.413 4.460 0.002 0.000 0.278 399 C C 2.574 177.679 174.990 0.192 0.000 1.309 399 C CA 1.067 60.223 59.018 0.230 0.000 1.735 399 C CB -1.395 26.491 27.740 0.244 0.000 1.992 399 C HN 0.455 nan 8.230 nan 0.000 0.493 400 H N 0.357 119.485 119.070 0.097 0.000 2.421 400 H HA -0.112 4.444 4.556 0.002 0.000 0.298 400 H C 2.110 177.477 175.328 0.064 0.000 1.087 400 H CA 2.244 58.346 56.048 0.089 0.000 1.330 400 H CB -0.070 29.731 29.762 0.065 0.000 1.388 400 H HN 0.567 nan 8.280 nan 0.000 0.526 401 E N 0.658 120.912 120.200 0.089 0.000 2.046 401 E HA -0.123 4.228 4.350 0.002 0.000 0.190 401 E C 2.212 178.785 176.600 -0.044 0.000 0.982 401 E CA 1.332 57.740 56.400 0.013 0.000 0.800 401 E CB -0.104 29.602 29.700 0.011 0.000 0.756 401 E HN 0.415 nan 8.360 nan 0.000 0.449 402 K N -0.103 120.241 120.400 -0.093 0.000 2.148 402 K HA -0.001 4.320 4.320 0.002 0.000 0.204 402 K C 2.082 178.751 176.600 0.114 0.000 1.050 402 K CA 1.210 57.430 56.287 -0.111 0.000 0.942 402 K CB -0.211 31.993 32.500 -0.493 0.000 0.724 402 K HN 0.266 nan 8.250 nan 0.000 0.446 403 I N 0.347 121.032 120.570 0.190 0.000 3.059 403 I HA -0.121 4.050 4.170 0.002 0.000 0.270 403 I C 2.078 178.203 176.117 0.012 0.000 1.238 403 I CA 0.280 61.694 61.300 0.190 0.000 1.478 403 I CB 0.062 38.195 38.000 0.221 0.000 1.097 403 I HN 0.128 nan 8.210 nan 0.000 0.455 404 R N 0.925 121.388 120.500 -0.060 0.000 2.062 404 R HA -0.149 4.192 4.340 0.002 0.000 0.231 404 R C 2.204 178.496 176.300 -0.014 0.000 1.136 404 R CA 2.533 58.584 56.100 -0.081 0.000 0.948 404 R CB -1.048 29.191 30.300 -0.103 0.000 0.845 404 R HN 0.348 nan 8.270 nan 0.000 0.430 405 V N -0.731 119.181 119.914 -0.002 0.000 2.407 405 V HA -0.148 3.973 4.120 0.002 0.000 0.248 405 V C 2.184 178.293 176.094 0.025 0.000 1.055 405 V CA 1.851 64.157 62.300 0.009 0.000 1.049 405 V CB -0.777 31.049 31.823 0.004 0.000 0.662 405 V HN 0.249 nan 8.190 nan 0.000 0.455 406 L N 0.710 121.953 121.223 0.034 0.000 2.056 406 L HA -0.092 4.249 4.340 0.002 0.000 0.207 406 L C 2.853 179.748 176.870 0.042 0.000 1.078 406 L CA 1.837 56.693 54.840 0.028 0.000 0.749 406 L CB -0.765 41.298 42.059 0.007 0.000 0.901 406 L HN 0.329 nan 8.230 nan 0.000 0.433 407 S N -0.790 114.948 115.700 0.063 0.000 2.423 407 S HA -0.146 4.325 4.470 0.002 0.000 0.231 407 S C 1.953 176.652 174.600 0.164 0.000 1.014 407 S CA 0.861 59.163 58.200 0.171 0.000 0.965 407 S CB -0.110 63.197 63.200 0.177 0.000 0.785 407 S HN 0.420 nan 8.310 nan 0.000 0.495 408 Q N 1.191 121.033 119.800 0.070 0.000 2.046 408 Q HA -0.083 4.258 4.340 0.002 0.000 0.200 408 Q C 2.187 178.212 176.000 0.041 0.000 0.975 408 Q CA 1.158 56.980 55.803 0.033 0.000 0.836 408 Q CB -0.387 28.358 28.738 0.012 0.000 0.896 408 Q HN 0.656 nan 8.270 nan 0.000 0.428 409 Q N 0.303 120.131 119.800 0.047 0.000 2.119 409 Q HA -0.047 4.294 4.340 0.002 0.000 0.201 409 Q C 2.092 178.129 176.000 0.062 0.000 0.972 409 Q CA 1.232 57.059 55.803 0.040 0.000 0.847 409 Q CB -0.169 28.587 28.738 0.029 0.000 0.903 409 Q HN 0.361 nan 8.270 nan 0.000 0.433 410 A N 1.152 124.034 122.820 0.102 0.000 1.902 410 A HA -0.114 4.207 4.320 0.002 0.000 0.217 410 A C 2.298 180.020 177.584 0.231 0.000 1.181 410 A CA 1.555 53.681 52.037 0.149 0.000 0.623 410 A CB -0.786 18.297 19.000 0.139 0.000 0.818 410 A HN 0.389 nan 8.150 nan 0.000 0.443 411 A N -0.574 122.377 122.820 0.218 0.000 1.933 411 A HA -0.055 4.266 4.320 0.002 0.000 0.218 411 A C 2.419 180.009 177.584 0.010 0.000 1.175 411 A CA 2.025 54.081 52.037 0.032 0.000 0.628 411 A CB -0.771 18.129 19.000 -0.165 0.000 0.814 411 A HN 0.449 nan 8.150 nan 0.000 0.444 412 S N -0.411 115.301 115.700 0.019 0.000 2.383 412 S HA -0.108 4.363 4.470 0.002 0.000 0.227 412 S C 1.859 176.469 174.600 0.018 0.000 1.026 412 S CA 1.302 59.507 58.200 0.008 0.000 0.981 412 S CB -0.399 62.805 63.200 0.007 0.000 0.818 412 S HN 0.350 nan 8.310 nan 0.000 0.472 413 V N 1.623 121.559 119.914 0.035 0.000 2.407 413 V HA -0.148 3.973 4.120 0.002 0.000 0.248 413 V C 2.286 178.400 176.094 0.033 0.000 1.055 413 V CA 1.415 63.734 62.300 0.032 0.000 1.049 413 V CB -0.777 31.068 31.823 0.036 0.000 0.662 413 V HN 0.340 nan 8.190 nan 0.000 0.455 414 V N -0.360 119.585 119.914 0.052 0.000 2.270 414 V HA -0.235 3.885 4.120 0.002 0.000 0.245 414 V C 2.355 178.457 176.094 0.014 0.000 1.043 414 V CA 2.099 64.426 62.300 0.045 0.000 1.014 414 V CB -0.606 31.263 31.823 0.076 0.000 0.645 414 V HN 0.517 nan 8.190 nan 0.000 0.447 415 K N -0.857 119.543 120.400 -0.001 0.000 2.128 415 K HA -0.011 4.310 4.320 0.002 0.000 0.202 415 K C 2.290 178.884 176.600 -0.010 0.000 1.050 415 K CA 0.618 56.895 56.287 -0.015 0.000 0.966 415 K CB -0.091 32.389 32.500 -0.033 0.000 0.759 415 K HN 0.342 nan 8.250 nan 0.000 0.454 416 Q N 0.620 120.416 119.800 -0.007 0.000 2.163 416 Q HA -0.034 4.307 4.340 0.002 0.000 0.198 416 Q C 1.671 177.670 176.000 -0.001 0.000 0.954 416 Q CA 1.138 56.938 55.803 -0.005 0.000 0.851 416 Q CB 0.228 28.963 28.738 -0.005 0.000 0.928 416 Q HN 0.287 nan 8.270 nan 0.000 0.459 417 E N -0.435 119.767 120.200 0.003 0.000 2.276 417 E HA 0.108 4.459 4.350 0.002 0.000 0.193 417 E C 0.807 177.410 176.600 0.004 0.000 0.983 417 E CA 0.770 57.173 56.400 0.004 0.000 0.861 417 E CB 0.324 30.028 29.700 0.007 0.000 0.817 417 E HN 0.421 nan 8.360 nan 0.000 0.485 418 G N 1.558 110.361 108.800 0.006 0.000 2.182 418 G HA2 -0.217 3.744 3.960 0.002 0.000 0.248 418 G HA3 -0.217 3.744 3.960 0.002 0.000 0.248 418 G C 0.510 175.416 174.900 0.009 0.000 1.042 418 G CA 0.293 45.396 45.100 0.006 0.000 0.775 418 G HN 0.523 nan 8.290 nan 0.000 0.501 419 G N -1.254 107.554 108.800 0.013 0.000 2.642 419 G HA2 0.601 4.562 3.960 0.002 0.000 0.291 419 G HA3 0.601 4.562 3.960 0.002 0.000 0.291 419 G C -0.481 174.430 174.900 0.019 0.000 1.345 419 G CA -0.317 44.791 45.100 0.013 0.000 1.043 419 G HN 0.168 nan 8.290 nan 0.000 0.528 420 D N -0.232 120.175 120.400 0.012 0.000 2.329 420 D HA 0.113 4.754 4.640 0.002 0.000 0.246 420 D C 0.033 176.339 176.300 0.010 0.000 1.111 420 D CA -0.242 53.764 54.000 0.010 0.000 0.941 420 D CB 1.058 41.855 40.800 -0.005 0.000 1.169 420 D HN 0.244 nan 8.370 nan 0.000 0.441 421 N N 1.331 120.031 118.700 0.000 0.000 2.416 421 N HA -0.046 4.695 4.740 0.002 0.000 0.265 421 N C -0.377 175.077 175.510 -0.093 0.000 1.195 421 N CA -0.155 52.872 53.050 -0.039 0.000 0.943 421 N CB 0.323 38.736 38.487 -0.123 0.000 1.115 421 N HN 0.214 nan 8.380 nan 0.000 0.481 422 D N 3.026 123.383 120.400 -0.072 0.000 2.525 422 D HA -0.025 4.616 4.640 0.002 0.000 0.229 422 D C 1.379 177.616 176.300 -0.105 0.000 1.202 422 D CA -0.401 53.554 54.000 -0.076 0.000 0.828 422 D CB -0.174 40.603 40.800 -0.038 0.000 1.008 422 D HN 0.363 nan 8.370 nan 0.000 0.493 423 L N 0.268 121.384 121.223 -0.178 0.000 2.093 423 L HA -0.040 4.301 4.340 0.002 0.000 0.208 423 L C 1.655 178.407 176.870 -0.197 0.000 1.085 423 L CA 1.450 56.168 54.840 -0.204 0.000 0.755 423 L CB -0.277 41.566 42.059 -0.359 0.000 0.904 423 L HN 0.029 nan 8.230 nan 0.000 0.435 424 I N -0.565 119.891 120.570 -0.190 0.000 2.617 424 I HA -0.171 4.000 4.170 0.002 0.000 0.256 424 I C 2.422 178.472 176.117 -0.112 0.000 1.167 424 I CA 0.936 62.144 61.300 -0.154 0.000 1.469 424 I CB -1.104 36.818 38.000 -0.131 0.000 1.098 424 I HN 0.477 nan 8.210 nan 0.000 0.436 425 E N 1.307 121.450 120.200 -0.095 0.000 2.072 425 E HA -0.189 4.162 4.350 0.002 0.000 0.191 425 E C 2.328 178.895 176.600 -0.055 0.000 0.985 425 E CA 0.870 57.230 56.400 -0.067 0.000 0.801 425 E CB 0.143 29.811 29.700 -0.054 0.000 0.750 425 E HN 0.373 nan 8.360 nan 0.000 0.452 426 R N 0.152 120.615 120.500 -0.062 0.000 2.091 426 R HA -0.132 4.209 4.340 0.002 0.000 0.238 426 R C 2.458 178.734 176.300 -0.041 0.000 1.136 426 R CA 1.484 57.562 56.100 -0.037 0.000 0.959 426 R CB -0.279 29.995 30.300 -0.042 0.000 0.856 426 R HN 0.283 nan 8.270 nan 0.000 0.437 427 I N 0.600 121.078 120.570 -0.153 0.000 2.252 427 I HA -0.272 3.899 4.170 0.002 0.000 0.245 427 I C 2.399 178.556 176.117 0.067 0.000 1.102 427 I CA 1.326 62.456 61.300 -0.284 0.000 1.385 427 I CB -0.240 37.452 38.000 -0.514 0.000 1.064 427 I HN 0.219 nan 8.210 nan 0.000 0.414 428 Q N 0.212 120.025 119.800 0.023 0.000 2.084 428 Q HA -0.144 4.197 4.340 0.002 0.000 0.202 428 Q C 1.329 177.257 176.000 -0.119 0.000 0.978 428 Q CA 1.519 57.291 55.803 -0.052 0.000 0.844 428 Q CB -0.079 28.597 28.738 -0.102 0.000 0.898 428 Q HN 0.530 nan 8.270 nan 0.000 0.426 429 V N -1.109 118.803 119.914 -0.004 0.000 2.443 429 V HA 0.308 4.429 4.120 0.002 0.000 0.326 429 V C -0.773 175.401 176.094 0.133 0.000 1.580 429 V CA -0.293 62.021 62.300 0.023 0.000 1.629 429 V CB 0.110 31.935 31.823 0.003 0.000 1.471 429 V HN 0.046 nan 8.190 nan 0.000 0.532 430 D N 1.983 122.551 120.400 0.281 0.000 2.548 430 D HA 0.468 5.109 4.640 0.002 0.000 0.214 430 D C 0.619 177.183 176.300 0.440 0.000 1.345 430 D CA 0.249 54.458 54.000 0.348 0.000 0.945 430 D CB 2.201 43.256 40.800 0.424 0.000 1.499 430 D HN 0.299 nan 8.370 nan 0.000 0.579 431 A N 3.381 126.378 122.820 0.295 0.000 2.209 431 A HA -0.138 4.183 4.320 0.002 0.000 0.212 431 A C 1.584 179.226 177.584 0.097 0.000 1.158 431 A CA 0.729 52.901 52.037 0.225 0.000 0.742 431 A CB -0.543 18.544 19.000 0.146 0.000 0.790 431 A HN 0.681 nan 8.150 nan 0.000 0.472 432 Y N -0.269 120.014 120.300 -0.029 0.000 2.181 432 Y HA -0.166 4.385 4.550 0.002 0.000 0.288 432 Y C 0.996 176.662 175.900 -0.390 0.000 1.146 432 Y CA 1.671 59.627 58.100 -0.239 0.000 1.164 432 Y CB -0.266 37.971 38.460 -0.372 0.000 0.982 432 Y HN 0.302 nan 8.280 nan 0.000 0.515 433 F N -0.627 119.264 119.950 -0.099 0.000 2.696 433 F HA 0.146 4.674 4.527 0.001 0.000 0.296 433 F C 2.245 177.555 175.800 -0.817 0.000 1.181 433 F CA 0.504 58.306 58.000 -0.330 0.000 1.411 433 F CB -0.449 38.468 39.000 -0.139 0.000 1.014 433 F HN -0.009 nan 8.300 nan 0.000 0.512 434 S N 1.467 116.862 115.700 -0.508 0.000 2.383 434 S HA -0.080 4.391 4.470 0.002 0.000 0.227 434 S C -0.265 174.202 174.600 -0.221 0.000 1.026 434 S CA 1.119 59.086 58.200 -0.389 0.000 0.981 434 S CB -0.764 62.397 63.200 -0.065 0.000 0.818 434 S HN 0.179 nan 8.310 nan 0.000 0.472 435 P HA -0.004 nan 4.420 nan 0.000 0.221 435 P C 0.962 178.213 177.300 -0.081 0.000 1.145 435 P CA 0.896 63.919 63.100 -0.129 0.000 0.795 435 P CB -0.141 31.463 31.700 -0.160 0.000 0.775 436 I N -7.429 113.086 120.570 -0.091 0.000 4.154 436 I HA 0.252 4.423 4.170 0.002 0.000 0.334 436 I C 1.640 177.790 176.117 0.055 0.000 1.371 436 I CA -0.063 61.232 61.300 -0.008 0.000 1.110 436 I CB -1.089 36.931 38.000 0.032 0.000 1.085 436 I HN -0.158 nan 8.210 nan 0.000 0.398 437 H N 1.674 120.781 119.070 0.061 0.000 2.353 437 H HA -0.159 4.397 4.556 0.002 0.000 0.298 437 H C 2.324 177.671 175.328 0.032 0.000 1.103 437 H CA 2.008 58.087 56.048 0.050 0.000 1.293 437 H CB 0.177 29.968 29.762 0.049 0.000 1.372 437 H HN 0.597 nan 8.280 nan 0.000 0.501 438 S N 0.456 116.248 115.700 0.154 0.000 2.447 438 S HA -0.163 4.308 4.470 0.002 0.000 0.233 438 S C 1.767 176.409 174.600 0.070 0.000 1.006 438 S CA 0.953 59.205 58.200 0.087 0.000 0.957 438 S CB -0.056 63.178 63.200 0.057 0.000 0.773 438 S HN 0.503 nan 8.310 nan 0.000 0.507 439 Q N 0.562 120.404 119.800 0.070 0.000 2.378 439 Q HA 0.260 4.601 4.340 0.002 0.000 0.205 439 Q C 1.908 177.970 176.000 0.103 0.000 0.954 439 Q CA 0.346 56.189 55.803 0.067 0.000 0.901 439 Q CB -0.429 28.335 28.738 0.044 0.000 0.981 439 Q HN 0.509 nan 8.270 nan 0.000 0.483 440 L N 0.851 122.130 121.223 0.095 0.000 2.051 440 L HA -0.286 4.055 4.340 0.002 0.000 0.214 440 L C 1.522 178.440 176.870 0.080 0.000 1.076 440 L CA 1.365 56.254 54.840 0.082 0.000 0.758 440 L CB -0.264 41.834 42.059 0.066 0.000 0.890 440 L HN 0.212 nan 8.230 nan 0.000 0.433 441 D N -1.786 118.661 120.400 0.078 0.000 2.117 441 D HA -0.205 4.436 4.640 0.002 0.000 0.198 441 D C 2.012 178.364 176.300 0.086 0.000 0.982 441 D CA 1.199 55.238 54.000 0.066 0.000 0.828 441 D CB -0.133 40.698 40.800 0.052 0.000 0.967 441 D HN 0.393 nan 8.370 nan 0.000 0.464 442 H N -0.107 118.982 119.070 0.032 0.000 2.357 442 H HA 0.056 4.613 4.556 0.002 0.000 0.301 442 H C 1.987 177.337 175.328 0.037 0.000 1.082 442 H CA 1.043 57.106 56.048 0.026 0.000 1.342 442 H CB -0.076 29.693 29.762 0.011 0.000 1.389 442 H HN 0.043 nan 8.280 nan 0.000 0.511 443 L N -0.452 120.893 121.223 0.204 0.000 2.201 443 L HA -0.121 4.220 4.340 0.002 0.000 0.212 443 L C 0.900 177.920 176.870 0.249 0.000 1.105 443 L CA 0.348 55.292 54.840 0.174 0.000 0.775 443 L CB 0.023 42.170 42.059 0.146 0.000 0.913 443 L HN 0.293 nan 8.230 nan 0.000 0.440 444 L N -1.179 120.160 121.223 0.193 0.000 2.700 444 L HA 0.163 4.504 4.340 0.002 0.000 0.234 444 L C 0.424 177.398 176.870 0.173 0.000 1.156 444 L CA 0.076 55.032 54.840 0.194 0.000 0.946 444 L CB -0.672 41.414 42.059 0.045 0.000 1.216 444 L HN -0.001 nan 8.230 nan 0.000 0.493 445 D N 1.328 121.811 120.400 0.138 0.000 2.363 445 D HA 0.025 4.666 4.640 0.002 0.000 0.263 445 D C -1.524 174.882 176.300 0.176 0.000 1.258 445 D CA -1.404 52.628 54.000 0.053 0.000 0.907 445 D CB 1.659 42.389 40.800 -0.117 0.000 1.107 445 D HN 0.036 nan 8.370 nan 0.000 0.495 446 P HA -0.139 nan 4.420 nan 0.000 0.219 446 P C 1.317 178.709 177.300 0.154 0.000 1.146 446 P CA 0.951 64.143 63.100 0.154 0.000 0.808 446 P CB 0.098 31.813 31.700 0.024 0.000 0.779 447 S N -0.801 114.937 115.700 0.063 0.000 2.447 447 S HA -0.098 4.373 4.470 0.002 0.000 0.233 447 S C 1.852 176.449 174.600 -0.005 0.000 1.006 447 S CA 1.203 59.413 58.200 0.017 0.000 0.957 447 S CB -1.440 61.748 63.200 -0.020 0.000 0.773 447 S HN 0.252 nan 8.310 nan 0.000 0.507 448 S N -0.243 115.440 115.700 -0.029 0.000 2.603 448 S HA 0.258 4.729 4.470 0.002 0.000 0.220 448 S C 0.808 175.224 174.600 -0.307 0.000 0.967 448 S CA -0.269 57.820 58.200 -0.185 0.000 0.920 448 S CB -0.732 62.287 63.200 -0.301 0.000 0.773 448 S HN 0.521 nan 8.310 nan 0.000 0.529 449 F N 2.030 121.954 119.950 -0.042 0.000 2.682 449 F HA 0.220 4.748 4.527 0.001 0.000 0.308 449 F C 2.177 177.955 175.800 -0.036 0.000 1.093 449 F CA 0.280 58.260 58.000 -0.033 0.000 1.244 449 F CB 0.256 39.235 39.000 -0.034 0.000 1.052 449 F HN 0.314 nan 8.300 nan 0.000 0.573 450 T N -2.468 112.142 114.554 0.094 0.000 3.129 450 T HA 0.456 4.807 4.350 0.002 0.000 0.251 450 T C 1.536 176.240 174.700 0.006 0.000 1.117 450 T CA 0.436 62.560 62.100 0.040 0.000 1.034 450 T CB -0.507 68.368 68.868 0.012 0.000 0.968 450 T HN 0.393 nan 8.240 nan 0.000 0.526 451 G N 2.726 111.525 108.800 -0.002 0.000 2.583 451 G HA2 -0.346 3.615 3.960 0.002 0.000 0.292 451 G HA3 -0.346 3.615 3.960 0.002 0.000 0.292 451 G C 0.433 175.320 174.900 -0.022 0.000 1.203 451 G CA 0.075 45.166 45.100 -0.015 0.000 0.987 451 G HN 0.552 nan 8.290 nan 0.000 0.554 452 R N 1.222 121.709 120.500 -0.022 0.000 2.515 452 R HA 0.503 4.844 4.340 0.002 0.000 0.294 452 R C 2.439 178.721 176.300 -0.029 0.000 1.021 452 R CA 0.707 56.792 56.100 -0.023 0.000 1.081 452 R CB -0.015 30.273 30.300 -0.020 0.000 1.263 452 R HN 0.634 nan 8.270 nan 0.000 0.557 453 A N 0.842 123.641 122.820 -0.034 0.000 1.892 453 A HA -0.254 4.067 4.320 0.002 0.000 0.218 453 A C 2.187 179.743 177.584 -0.046 0.000 1.188 453 A CA 2.249 54.257 52.037 -0.048 0.000 0.631 453 A CB -0.483 18.487 19.000 -0.050 0.000 0.822 453 A HN 0.340 nan 8.150 nan 0.000 0.447 454 S N -1.227 114.451 115.700 -0.037 0.000 2.371 454 S HA -0.181 4.290 4.470 0.002 0.000 0.224 454 S C 2.148 176.737 174.600 -0.018 0.000 1.029 454 S CA 1.609 59.790 58.200 -0.031 0.000 0.978 454 S CB -0.344 62.838 63.200 -0.029 0.000 0.833 454 S HN 0.601 nan 8.310 nan 0.000 0.466 455 Q N 0.992 120.783 119.800 -0.016 0.000 2.096 455 Q HA -0.119 4.222 4.340 0.002 0.000 0.204 455 Q C 2.390 178.390 176.000 -0.000 0.000 0.982 455 Q CA 1.998 57.797 55.803 -0.007 0.000 0.850 455 Q CB -0.304 28.429 28.738 -0.008 0.000 0.901 455 Q HN 0.647 nan 8.270 nan 0.000 0.422 456 Q N -0.500 119.294 119.800 -0.010 0.000 2.124 456 Q HA -0.120 4.221 4.340 0.002 0.000 0.202 456 Q C 2.142 178.156 176.000 0.024 0.000 0.977 456 Q CA 1.409 57.207 55.803 -0.008 0.000 0.850 456 Q CB -0.038 28.671 28.738 -0.048 0.000 0.901 456 Q HN 0.230 nan 8.270 nan 0.000 0.429 457 V N 1.015 120.935 119.914 0.011 0.000 2.295 457 V HA -0.333 3.788 4.120 0.002 0.000 0.246 457 V C 2.343 178.478 176.094 0.068 0.000 1.049 457 V CA 2.263 64.594 62.300 0.052 0.000 1.024 457 V CB -0.727 31.101 31.823 0.008 0.000 0.648 457 V HN 0.435 nan 8.190 nan 0.000 0.447 458 Q N 0.215 120.033 119.800 0.029 0.000 2.002 458 Q HA -0.274 4.067 4.340 0.002 0.000 0.204 458 Q C 2.521 178.522 176.000 0.002 0.000 0.988 458 Q CA 2.173 57.985 55.803 0.015 0.000 0.843 458 Q CB -0.247 28.502 28.738 0.019 0.000 0.908 458 Q HN 0.504 nan 8.270 nan 0.000 0.420 459 R N -0.667 119.849 120.500 0.026 0.000 2.091 459 R HA -0.189 4.152 4.340 0.002 0.000 0.238 459 R C 2.249 178.570 176.300 0.035 0.000 1.136 459 R CA 1.645 57.762 56.100 0.027 0.000 0.959 459 R CB -0.449 29.874 30.300 0.038 0.000 0.856 459 R HN 0.380 nan 8.270 nan 0.000 0.437 460 F N 1.270 121.165 119.950 -0.092 0.000 2.095 460 F HA -0.192 4.336 4.527 0.001 0.000 0.298 460 F C 1.821 177.509 175.800 -0.187 0.000 1.104 460 F CA 1.558 59.492 58.000 -0.109 0.000 1.232 460 F CB -0.446 38.498 39.000 -0.093 0.000 0.987 460 F HN -0.031 nan 8.300 nan 0.000 0.475 461 L N -0.007 120.988 121.223 -0.379 0.000 2.017 461 L HA -0.202 4.139 4.340 0.002 0.000 0.208 461 L C 2.450 178.777 176.870 -0.904 0.000 1.073 461 L CA 1.848 56.197 54.840 -0.817 0.000 0.745 461 L CB -0.871 40.747 42.059 -0.736 0.000 0.894 461 L HN 0.160 nan 8.230 nan 0.000 0.432 462 E N -0.145 119.796 120.200 -0.431 0.000 2.072 462 E HA -0.201 4.150 4.350 0.002 0.000 0.191 462 E C 2.068 178.607 176.600 -0.103 0.000 0.985 462 E CA 1.142 57.460 56.400 -0.137 0.000 0.801 462 E CB 0.030 29.730 29.700 0.000 0.000 0.750 462 E HN 0.537 nan 8.360 nan 0.000 0.452 463 E N 0.041 120.162 120.200 -0.132 0.000 2.190 463 E HA -0.062 4.289 4.350 0.002 0.000 0.191 463 E C 1.611 178.139 176.600 -0.119 0.000 0.978 463 E CA 0.614 56.966 56.400 -0.080 0.000 0.839 463 E CB 0.314 29.994 29.700 -0.033 0.000 0.787 463 E HN 0.256 nan 8.360 nan 0.000 0.473 464 E N -0.272 119.778 120.200 -0.251 0.000 2.354 464 E HA 0.026 4.377 4.350 0.002 0.000 0.203 464 E C 2.023 178.414 176.600 -0.349 0.000 0.841 464 E CA 0.216 56.454 56.400 -0.270 0.000 1.046 464 E CB 0.695 30.240 29.700 -0.258 0.000 1.040 464 E HN -0.038 nan 8.360 nan 0.000 0.504 465 V N 0.965 120.536 119.914 -0.573 0.000 2.331 465 V HA -0.163 3.958 4.120 0.002 0.000 0.242 465 V C 1.983 177.991 176.094 -0.143 0.000 1.034 465 V CA 1.347 63.380 62.300 -0.445 0.000 1.027 465 V CB -0.560 30.883 31.823 -0.635 0.000 0.667 465 V HN 0.170 nan 8.190 nan 0.000 0.457 466 Y N 0.462 120.684 120.300 -0.130 0.000 2.224 466 Y HA -0.057 4.494 4.550 0.002 0.000 0.289 466 Y C 0.221 176.101 175.900 -0.034 0.000 1.146 466 Y CA 0.395 58.459 58.100 -0.061 0.000 1.182 466 Y CB -2.510 35.921 38.460 -0.049 0.000 0.983 466 Y HN 0.371 nan 8.280 nan 0.000 0.524 467 P HA -0.162 nan 4.420 nan 0.000 0.216 467 P C 1.928 179.263 177.300 0.059 0.000 1.150 467 P CA 1.386 64.521 63.100 0.058 0.000 0.837 467 P CB -0.081 31.631 31.700 0.021 0.000 0.786 468 L N -1.486 119.769 121.223 0.053 0.000 2.083 468 L HA -0.133 4.208 4.340 0.002 0.000 0.209 468 L C 2.240 179.213 176.870 0.173 0.000 1.083 468 L CA 1.267 56.159 54.840 0.087 0.000 0.752 468 L CB -0.530 41.557 42.059 0.047 0.000 0.899 468 L HN -0.033 nan 8.230 nan 0.000 0.433 469 L N -0.910 120.410 121.223 0.162 0.000 2.341 469 L HA -0.146 4.195 4.340 0.002 0.000 0.214 469 L C 2.457 179.451 176.870 0.206 0.000 1.115 469 L CA 0.487 55.458 54.840 0.218 0.000 0.820 469 L CB -0.319 41.839 42.059 0.164 0.000 0.944 469 L HN 0.213 nan 8.230 nan 0.000 0.452 470 K N 0.950 121.421 120.400 0.118 0.000 2.063 470 K HA -0.180 4.141 4.320 0.002 0.000 0.208 470 K C -0.458 176.143 176.600 0.002 0.000 1.048 470 K CA 1.501 57.818 56.287 0.050 0.000 0.928 470 K CB -0.706 31.809 32.500 0.026 0.000 0.713 470 K HN 0.173 nan 8.250 nan 0.000 0.442 471 P HA -0.151 nan 4.420 nan 0.000 0.221 471 P C 0.091 177.191 177.300 -0.334 0.000 1.145 471 P CA 1.229 64.187 63.100 -0.236 0.000 0.795 471 P CB 0.023 31.493 31.700 -0.383 0.000 0.775 472 Y N -1.336 118.965 120.300 0.002 0.000 2.468 472 Y HA 0.149 4.700 4.550 0.001 0.000 0.268 472 Y C 2.138 178.038 175.900 -0.000 0.000 1.177 472 Y CA -0.136 57.966 58.100 0.003 0.000 1.265 472 Y CB -0.448 38.018 38.460 0.010 0.000 1.103 472 Y HN 0.026 nan 8.280 nan 0.000 0.522 473 E N 0.511 120.765 120.200 0.090 0.000 2.204 473 E HA -0.208 4.143 4.350 0.002 0.000 0.195 473 E C 2.158 178.782 176.600 0.038 0.000 0.990 473 E CA 1.447 57.879 56.400 0.054 0.000 0.821 473 E CB 0.147 29.856 29.700 0.015 0.000 0.750 473 E HN 0.464 nan 8.360 nan 0.000 0.477 474 S N -0.286 115.431 115.700 0.029 0.000 2.481 474 S HA -0.083 4.388 4.470 0.002 0.000 0.231 474 S C 1.789 176.410 174.600 0.034 0.000 0.996 474 S CA 0.847 59.059 58.200 0.020 0.000 0.942 474 S CB 0.238 63.440 63.200 0.004 0.000 0.768 474 S HN 0.236 nan 8.310 nan 0.000 0.520 475 V N -1.917 118.035 119.914 0.063 0.000 3.483 475 V HA 0.449 4.570 4.120 0.002 0.000 0.301 475 V C 0.740 176.870 176.094 0.059 0.000 1.389 475 V CA -0.597 61.743 62.300 0.066 0.000 1.101 475 V CB -0.651 31.230 31.823 0.096 0.000 0.971 475 V HN 0.249 nan 8.190 nan 0.000 0.434 476 M N 0.000 119.634 119.600 0.056 0.000 2.572 476 M HA 0.000 4.481 4.480 0.002 0.000 0.227 476 M CA 0.000 55.326 55.300 0.043 0.000 0.988 476 M CB 0.000 32.625 32.600 0.042 0.000 1.302 476 M HN 0.000 nan 8.290 nan 0.000 0.411