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 2e9e_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVTcDEQSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcVQGDEcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NAVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NVKPSPcEFI NTTAHVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE MLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKNSKLMNQN KMVTSELRNK LFQPTHKVHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKVLAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AVDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.780 174.600 0.301 0.000 1.055 1 S CA 0.000 58.290 58.200 0.151 0.000 1.107 1 S CB 0.000 63.285 63.200 0.142 0.000 0.593 2 W N 1.300 122.623 121.300 0.038 0.000 3.032 2 W HA 0.646 4.829 4.660 -0.796 0.000 0.335 2 W C -0.767 175.782 176.519 0.050 0.000 1.154 2 W CA -0.383 56.986 57.345 0.038 0.000 1.204 2 W CB 1.346 30.825 29.460 0.032 0.000 1.416 2 W HN 0.910 nan 8.180 nan 0.000 0.521 3 E N 1.866 122.007 120.200 -0.098 0.000 2.235 3 E HA -0.167 3.706 4.350 -0.794 0.000 0.176 3 E C 0.992 177.589 176.600 -0.006 0.000 1.687 3 E CA 1.068 57.379 56.400 -0.149 0.000 0.617 3 E CB -0.635 28.918 29.700 -0.246 0.000 1.030 3 E HN 0.552 nan 8.360 nan 0.000 0.307 4 V N 0.257 120.180 119.914 0.016 0.000 3.546 4 V HA 0.186 3.829 4.120 -0.794 0.000 0.272 4 V C 1.056 177.166 176.094 0.027 0.000 1.228 4 V CA 1.203 63.529 62.300 0.042 0.000 1.184 4 V CB 0.185 32.038 31.823 0.049 0.000 0.886 4 V HN 0.494 nan 8.190 nan 0.000 0.508 5 G N -1.236 107.567 108.800 0.004 0.000 4.220 5 G HA2 0.332 3.815 3.960 -0.794 0.000 0.256 5 G HA3 0.332 3.815 3.960 -0.794 0.000 0.256 5 G C -0.529 174.359 174.900 -0.019 0.000 1.520 5 G CA -0.028 45.072 45.100 -0.000 0.000 0.608 5 G HN 0.306 nan 8.290 nan 0.000 0.415 6 c N 0.014 118.607 118.600 -0.011 0.000 2.470 6 c HA 0.985 5.079 4.570 -0.794 0.000 0.350 6 c C 1.090 175.162 174.090 -0.030 0.000 1.341 6 c CA 1.296 57.608 56.329 -0.028 0.000 2.440 6 c CB 0.872 43.377 42.510 -0.008 0.000 2.295 6 c HN 1.519 nan 8.230 nan 0.000 0.645 7 G N 0.250 109.015 108.800 -0.059 0.000 2.306 7 G HA2 0.587 4.071 3.960 -0.794 0.000 0.340 7 G HA3 0.587 4.071 3.960 -0.794 0.000 0.340 7 G C -1.291 173.563 174.900 -0.077 0.000 1.630 7 G CA 0.196 45.259 45.100 -0.061 0.000 0.937 7 G HN 1.322 nan 8.290 nan 0.000 0.693 8 A N 2.238 125.005 122.820 -0.089 0.000 2.483 8 A HA 1.040 4.883 4.320 -0.794 0.000 0.286 8 A C -1.738 175.801 177.584 -0.074 0.000 1.207 8 A CA -0.763 51.219 52.037 -0.093 0.000 0.764 8 A CB 0.711 19.630 19.000 -0.135 0.000 1.341 8 A HN 1.036 nan 8.150 nan 0.000 0.428 9 P HA -0.166 nan 4.420 nan 0.000 0.117 9 P C 0.056 177.337 177.300 -0.031 0.000 1.148 9 P CA 1.303 64.374 63.100 -0.050 0.000 0.878 9 P CB -1.311 30.355 31.700 -0.058 0.000 1.460 10 V N 0.321 120.218 119.914 -0.028 0.000 2.434 10 V HA 0.039 3.682 4.120 -0.794 0.000 0.281 10 V C -0.779 175.312 176.094 -0.005 0.000 1.005 10 V CA -0.440 61.854 62.300 -0.010 0.000 1.089 10 V CB -0.564 31.254 31.823 -0.008 0.000 0.978 10 V HN 0.159 nan 8.190 nan 0.000 0.474 11 P HA 0.469 nan 4.420 nan 0.000 0.341 11 P C 0.942 178.248 177.300 0.010 0.000 1.297 11 P CA -0.791 62.311 63.100 0.004 0.000 0.761 11 P CB 0.262 31.966 31.700 0.007 0.000 1.574 12 L N -1.770 119.458 121.223 0.008 0.000 2.131 12 L HA -0.190 3.674 4.340 -0.794 0.000 0.247 12 L C 0.929 177.808 176.870 0.015 0.000 1.112 12 L CA 1.724 56.570 54.840 0.010 0.000 0.843 12 L CB -2.487 39.578 42.059 0.009 0.000 0.948 12 L HN 0.182 nan 8.230 nan 0.000 0.444 13 V N -3.838 116.089 119.914 0.021 0.000 3.165 13 V HA 0.644 4.288 4.120 -0.794 0.000 0.309 13 V C -0.039 176.073 176.094 0.031 0.000 1.267 13 V CA -0.446 61.868 62.300 0.023 0.000 1.067 13 V CB 1.575 33.410 31.823 0.020 0.000 1.082 13 V HN 0.495 nan 8.190 nan 0.000 0.451 14 T N -0.073 114.498 114.554 0.029 0.000 2.943 14 T HA 0.358 4.231 4.350 -0.794 0.000 0.284 14 T C -0.202 174.518 174.700 0.033 0.000 1.015 14 T CA -0.252 61.867 62.100 0.033 0.000 1.042 14 T CB 1.132 70.016 68.868 0.027 0.000 1.055 14 T HN 0.851 nan 8.240 nan 0.000 0.500 15 c N 2.193 120.815 118.600 0.038 0.000 2.634 15 c HA 0.042 4.136 4.570 -0.794 0.000 0.418 15 c C 1.924 176.034 174.090 0.033 0.000 1.373 15 c CA -0.527 55.827 56.329 0.041 0.000 1.756 15 c CB -0.660 41.878 42.510 0.047 0.000 2.589 15 c HN 0.874 nan 8.230 nan 0.000 0.602 16 D N 0.465 120.885 120.400 0.034 0.000 2.378 16 D HA -0.068 4.095 4.640 -0.794 0.000 0.227 16 D C 1.590 177.903 176.300 0.021 0.000 1.012 16 D CA 0.732 54.748 54.000 0.027 0.000 0.905 16 D CB 0.122 40.941 40.800 0.031 0.000 0.895 16 D HN 0.812 nan 8.370 nan 0.000 0.532 17 E N -0.268 119.948 120.200 0.027 0.000 4.074 17 E HA -0.271 3.602 4.350 -0.794 0.000 0.282 17 E C 0.428 177.030 176.600 0.003 0.000 0.675 17 E CA 1.695 58.107 56.400 0.019 0.000 1.151 17 E CB -0.704 29.004 29.700 0.013 0.000 1.639 17 E HN 0.372 nan 8.360 nan 0.000 0.409 18 Q N -0.931 118.866 119.800 -0.004 0.000 2.023 18 Q HA 0.197 4.061 4.340 -0.794 0.000 0.211 18 Q C -0.411 175.563 176.000 -0.044 0.000 0.787 18 Q CA 0.548 56.334 55.803 -0.029 0.000 1.035 18 Q CB 1.298 30.017 28.738 -0.031 0.000 1.221 18 Q HN 0.166 nan 8.270 nan 0.000 0.443 19 S N 2.154 117.843 115.700 -0.019 0.000 2.565 19 S HA 0.265 4.259 4.470 -0.794 0.000 0.276 19 S C -1.698 172.848 174.600 -0.091 0.000 1.326 19 S CA -0.893 57.276 58.200 -0.051 0.000 1.045 19 S CB 0.830 64.038 63.200 0.015 0.000 0.918 19 S HN -0.023 nan 8.310 nan 0.000 0.505 20 P HA 0.203 nan 4.420 nan 0.000 0.249 20 P C -1.163 175.933 177.300 -0.340 0.000 1.241 20 P CA 0.382 63.234 63.100 -0.414 0.000 0.781 20 P CB -0.135 31.135 31.700 -0.717 0.000 1.088 21 Y N -0.499 119.830 120.300 0.048 0.000 2.462 21 Y HA 0.428 4.501 4.550 -0.795 0.000 0.346 21 Y C 0.971 176.624 175.900 -0.411 0.000 0.976 21 Y CA -1.670 56.328 58.100 -0.169 0.000 1.044 21 Y CB 1.255 39.628 38.460 -0.145 0.000 1.230 21 Y HN -0.324 nan 8.280 nan 0.000 0.455 22 R N 0.683 120.819 120.500 -0.607 0.000 2.698 22 R HA 0.226 4.090 4.340 -0.794 0.000 0.266 22 R C 0.298 176.440 176.300 -0.264 0.000 1.026 22 R CA 0.033 55.712 56.100 -0.703 0.000 1.102 22 R CB 0.124 30.061 30.300 -0.604 0.000 0.978 22 R HN 0.787 nan 8.270 nan 0.000 0.436 23 T N -0.899 113.553 114.554 -0.170 0.000 2.766 23 T HA 0.133 4.006 4.350 -0.794 0.000 0.295 23 T C 1.349 176.034 174.700 -0.025 0.000 1.024 23 T CA -0.645 61.425 62.100 -0.050 0.000 1.018 23 T CB 0.594 69.463 68.868 0.001 0.000 1.002 23 T HN 0.404 nan 8.240 nan 0.000 0.532 24 I N 1.249 121.831 120.570 0.020 0.000 2.584 24 I HA -0.033 3.661 4.170 -0.794 0.000 0.255 24 I C 2.866 179.030 176.117 0.078 0.000 1.145 24 I CA 1.320 62.652 61.300 0.055 0.000 1.462 24 I CB -0.543 37.499 38.000 0.071 0.000 1.102 24 I HN 0.988 nan 8.210 nan 0.000 0.433 25 T N -2.539 112.058 114.554 0.072 0.000 2.985 25 T HA 0.180 4.053 4.350 -0.794 0.000 0.266 25 T C 1.753 176.533 174.700 0.133 0.000 1.076 25 T CA 0.778 62.932 62.100 0.090 0.000 1.135 25 T CB -0.129 68.782 68.868 0.071 0.000 0.890 25 T HN 0.455 nan 8.240 nan 0.000 0.480 26 G N 1.077 109.962 108.800 0.141 0.000 2.195 26 G HA2 -0.176 3.308 3.960 -0.794 0.000 0.224 26 G HA3 -0.176 3.308 3.960 -0.794 0.000 0.224 26 G C -0.206 174.831 174.900 0.229 0.000 0.990 26 G CA -0.046 45.203 45.100 0.249 0.000 0.639 26 G HN 0.576 nan 8.290 nan 0.000 0.514 27 D N -0.403 120.084 120.400 0.144 0.000 2.364 27 D HA 0.270 4.434 4.640 -0.794 0.000 0.236 27 D C 1.552 177.911 176.300 0.100 0.000 1.221 27 D CA 1.220 55.294 54.000 0.124 0.000 0.891 27 D CB 0.698 41.550 40.800 0.087 0.000 1.190 27 D HN 0.755 nan 8.370 nan 0.000 0.449 28 c N 0.673 119.337 118.600 0.107 0.000 4.320 28 c HA -0.170 3.923 4.570 -0.794 0.000 0.281 28 c C 1.979 176.139 174.090 0.117 0.000 1.432 28 c CA 0.160 56.549 56.329 0.100 0.000 1.884 28 c CB -2.692 39.866 42.510 0.080 0.000 1.378 28 c HN 0.745 nan 8.230 nan 0.000 0.771 29 N N 1.794 120.562 118.700 0.112 0.000 2.080 29 N HA -0.097 4.166 4.740 -0.794 0.000 0.189 29 N C 0.502 176.079 175.510 0.113 0.000 1.036 29 N CA 1.394 54.482 53.050 0.063 0.000 0.846 29 N CB -0.098 38.257 38.487 -0.221 0.000 1.015 29 N HN 0.803 nan 8.380 nan 0.000 0.423 30 N N 0.630 119.449 118.700 0.199 0.000 2.479 30 N HA 0.104 4.368 4.740 -0.794 0.000 0.285 30 N C 0.636 176.244 175.510 0.163 0.000 1.075 30 N CA -0.104 53.088 53.050 0.236 0.000 0.967 30 N CB 1.295 39.942 38.487 0.266 0.000 1.137 30 N HN 0.121 nan 8.380 nan 0.000 0.472 31 R N 2.305 122.893 120.500 0.148 0.000 2.075 31 R HA 0.165 4.029 4.340 -0.794 0.000 0.220 31 R C 1.996 178.347 176.300 0.086 0.000 1.118 31 R CA 0.692 56.852 56.100 0.100 0.000 0.986 31 R CB 0.090 30.440 30.300 0.083 0.000 0.884 31 R HN 0.552 nan 8.270 nan 0.000 0.439 32 R N -0.284 120.267 120.500 0.085 0.000 2.091 32 R HA -0.023 3.840 4.340 -0.794 0.000 0.238 32 R C 0.554 176.897 176.300 0.072 0.000 1.136 32 R CA 1.202 57.343 56.100 0.067 0.000 0.959 32 R CB -0.045 30.289 30.300 0.056 0.000 0.856 32 R HN -0.051 nan 8.270 nan 0.000 0.437 33 S N -0.014 115.741 115.700 0.092 0.000 2.252 33 S HA 0.254 4.248 4.470 -0.794 0.000 0.187 33 S C -2.027 172.642 174.600 0.115 0.000 1.587 33 S CA -1.595 56.662 58.200 0.094 0.000 1.215 33 S CB 1.211 64.467 63.200 0.093 0.000 1.085 33 S HN 0.025 nan 8.310 nan 0.000 0.466 34 P HA -0.064 nan 4.420 nan 0.000 0.223 34 P C 0.976 178.351 177.300 0.125 0.000 1.144 34 P CA 0.770 63.938 63.100 0.112 0.000 0.783 34 P CB 0.139 31.890 31.700 0.084 0.000 0.771 35 A N -0.963 121.925 122.820 0.113 0.000 2.178 35 A HA 0.072 3.915 4.320 -0.794 0.000 0.211 35 A C 1.081 178.746 177.584 0.136 0.000 1.157 35 A CA -0.104 51.999 52.037 0.110 0.000 0.780 35 A CB -0.881 18.166 19.000 0.079 0.000 0.828 35 A HN 0.125 nan 8.150 nan 0.000 0.476 36 L N 1.054 122.372 121.223 0.158 0.000 2.638 36 L HA 0.381 4.244 4.340 -0.794 0.000 0.273 36 L C 1.303 178.311 176.870 0.230 0.000 1.147 36 L CA 1.536 56.478 54.840 0.170 0.000 0.941 36 L CB -0.332 41.838 42.059 0.184 0.000 1.251 36 L HN 0.629 nan 8.230 nan 0.000 0.479 37 G N 2.609 111.465 108.800 0.093 0.000 2.176 37 G HA2 -0.149 3.334 3.960 -0.794 0.000 0.232 37 G HA3 -0.149 3.334 3.960 -0.794 0.000 0.232 37 G C 0.438 175.350 174.900 0.021 0.000 0.986 37 G CA 0.058 45.090 45.100 -0.114 0.000 0.643 37 G HN 1.052 nan 8.290 nan 0.000 0.522 38 A N 0.027 122.927 122.820 0.134 0.000 2.280 38 A HA 0.903 4.747 4.320 -0.794 0.000 0.268 38 A C 0.959 178.592 177.584 0.082 0.000 1.111 38 A CA 0.927 53.053 52.037 0.148 0.000 0.814 38 A CB 0.442 19.521 19.000 0.132 0.000 1.093 38 A HN 2.052 nan 8.150 nan 0.000 0.498 39 A N 0.028 122.900 122.820 0.087 0.000 2.293 39 A HA 0.561 4.405 4.320 -0.794 0.000 0.302 39 A C 0.539 178.148 177.584 0.043 0.000 1.119 39 A CA -0.197 51.879 52.037 0.065 0.000 0.823 39 A CB -0.064 18.984 19.000 0.080 0.000 1.097 39 A HN 1.167 nan 8.150 nan 0.000 0.491 40 N N -0.192 118.524 118.700 0.026 0.000 2.815 40 N HA -0.110 4.153 4.740 -0.794 0.000 0.249 40 N C -0.454 175.054 175.510 -0.004 0.000 1.114 40 N CA 0.959 54.009 53.050 0.001 0.000 0.717 40 N CB -0.700 37.785 38.487 -0.005 0.000 1.074 40 N HN 0.755 nan 8.380 nan 0.000 0.555 41 R N -0.085 120.420 120.500 0.008 0.000 2.939 41 R HA 0.755 4.618 4.340 -0.794 0.000 0.254 41 R C 0.132 176.442 176.300 0.016 0.000 1.123 41 R CA -0.437 55.670 56.100 0.012 0.000 1.020 41 R CB 0.718 31.034 30.300 0.027 0.000 1.206 41 R HN 0.107 nan 8.270 nan 0.000 0.491 42 A N 1.309 124.147 122.820 0.030 0.000 2.445 42 A HA 0.295 4.138 4.320 -0.794 0.000 0.242 42 A C 0.362 177.973 177.584 0.045 0.000 1.075 42 A CA -0.309 51.756 52.037 0.047 0.000 0.777 42 A CB -0.042 18.999 19.000 0.069 0.000 1.013 42 A HN 0.525 nan 8.150 nan 0.000 0.493 43 L N 1.457 122.712 121.223 0.054 0.000 2.456 43 L HA 0.309 4.172 4.340 -0.794 0.000 0.272 43 L C 1.128 178.019 176.870 0.036 0.000 1.189 43 L CA -0.141 54.720 54.840 0.035 0.000 0.846 43 L CB 0.282 42.379 42.059 0.063 0.000 1.111 43 L HN 0.828 nan 8.230 nan 0.000 0.475 44 A N 4.578 127.400 122.820 0.002 0.000 2.366 44 A HA 0.456 4.299 4.320 -0.794 0.000 0.249 44 A C -0.030 177.556 177.584 0.003 0.000 1.084 44 A CA -0.370 51.689 52.037 0.037 0.000 0.794 44 A CB 0.318 19.366 19.000 0.081 0.000 1.034 44 A HN 0.680 nan 8.150 nan 0.000 0.491 45 R N 0.822 121.385 120.500 0.105 0.000 2.360 45 R HA 0.162 4.026 4.340 -0.794 0.000 0.318 45 R C -0.493 175.994 176.300 0.313 0.000 0.950 45 R CA -0.406 55.777 56.100 0.138 0.000 0.837 45 R CB 0.976 31.364 30.300 0.148 0.000 1.165 45 R HN 0.945 nan 8.270 nan 0.000 0.458 46 W N 2.248 123.636 121.300 0.147 0.000 2.863 46 W HA 0.229 4.416 4.660 -0.788 0.000 0.258 46 W C 0.363 176.944 176.519 0.103 0.000 1.298 46 W CA 0.147 57.582 57.345 0.150 0.000 1.451 46 W CB 0.085 29.588 29.460 0.072 0.000 1.107 46 W HN 0.255 nan 8.180 nan 0.000 0.641 47 L N -0.067 121.303 121.223 0.245 0.000 2.434 47 L HA 0.346 4.210 4.340 -0.794 0.000 0.260 47 L C -2.245 174.648 176.870 0.038 0.000 0.983 47 L CA -2.026 52.830 54.840 0.027 0.000 0.820 47 L CB 2.226 44.078 42.059 -0.345 0.000 1.361 47 L HN -0.518 nan 8.230 nan 0.000 0.410 48 P HA 0.068 nan 4.420 nan 0.000 0.265 48 P C -0.570 176.729 177.300 -0.003 0.000 1.187 48 P CA -0.087 63.029 63.100 0.026 0.000 0.766 48 P CB 0.607 32.316 31.700 0.016 0.000 0.820 49 A N 3.070 125.896 122.820 0.010 0.000 2.483 49 A HA 0.111 3.954 4.320 -0.794 0.000 0.238 49 A C 0.144 177.654 177.584 -0.123 0.000 1.070 49 A CA 0.093 52.080 52.037 -0.085 0.000 0.770 49 A CB -0.076 18.893 19.000 -0.051 0.000 1.008 49 A HN 0.576 nan 8.150 nan 0.000 0.497 50 E N 0.722 120.780 120.200 -0.236 0.000 2.255 50 E HA 0.415 4.288 4.350 -0.794 0.000 0.245 50 E C -1.730 174.759 176.600 -0.185 0.000 0.909 50 E CA -0.019 56.350 56.400 -0.052 0.000 0.747 50 E CB 1.044 30.815 29.700 0.119 0.000 1.215 50 E HN 0.634 nan 8.360 nan 0.000 0.424 51 Y N 0.424 120.667 120.300 -0.096 0.000 2.567 51 Y HA 0.135 4.208 4.550 -0.795 0.000 0.333 51 Y C 1.583 177.022 175.900 -0.768 0.000 1.106 51 Y CA -0.797 57.066 58.100 -0.396 0.000 1.157 51 Y CB 1.199 39.488 38.460 -0.286 0.000 1.277 51 Y HN 0.462 nan 8.280 nan 0.000 0.490 52 E N 0.495 120.179 120.200 -0.860 0.000 2.110 52 E HA -0.196 3.677 4.350 -0.794 0.000 0.193 52 E C 0.340 176.754 176.600 -0.309 0.000 0.988 52 E CA 1.653 57.563 56.400 -0.817 0.000 0.804 52 E CB 0.076 29.465 29.700 -0.519 0.000 0.745 52 E HN 0.769 nan 8.360 nan 0.000 0.458 53 D N -1.512 118.741 120.400 -0.246 0.000 2.525 53 D HA 0.101 4.264 4.640 -0.794 0.000 0.229 53 D C 1.076 177.305 176.300 -0.119 0.000 1.202 53 D CA 0.429 54.330 54.000 -0.166 0.000 0.828 53 D CB 0.165 40.844 40.800 -0.202 0.000 1.008 53 D HN 0.302 nan 8.370 nan 0.000 0.493 54 G N 0.531 109.291 108.800 -0.068 0.000 2.249 54 G HA2 -0.369 3.115 3.960 -0.794 0.000 0.269 54 G HA3 -0.369 3.115 3.960 -0.794 0.000 0.269 54 G C 0.850 175.768 174.900 0.031 0.000 0.979 54 G CA 1.106 46.210 45.100 0.006 0.000 0.644 54 G HN 0.483 nan 8.290 nan 0.000 0.546 55 L N -2.439 118.731 121.223 -0.088 0.000 2.600 55 L HA 0.602 4.466 4.340 -0.794 0.000 0.213 55 L C 2.257 178.770 176.870 -0.596 0.000 1.045 55 L CA 1.205 55.926 54.840 -0.198 0.000 0.863 55 L CB 0.214 42.138 42.059 -0.225 0.000 1.189 55 L HN 0.521 nan 8.230 nan 0.000 0.484 56 A N -1.410 120.856 122.820 -0.923 0.000 2.679 56 A HA 0.223 4.066 4.320 -0.794 0.000 0.168 56 A C 0.001 176.920 177.584 -1.108 0.000 1.561 56 A CA -0.128 51.032 52.037 -1.460 0.000 1.139 56 A CB 0.397 18.854 19.000 -0.906 0.000 1.395 56 A HN -0.068 nan 8.150 nan 0.000 0.483 57 V N 4.481 123.952 119.914 -0.738 0.000 2.405 57 V HA 0.280 3.923 4.120 -0.794 0.000 0.264 57 V C -2.194 173.674 176.094 -0.377 0.000 1.048 57 V CA -1.418 60.465 62.300 -0.696 0.000 0.966 57 V CB 0.793 32.214 31.823 -0.670 0.000 1.015 57 V HN 0.349 nan 8.190 nan 0.000 0.477 58 P HA 0.078 nan 4.420 nan 0.000 0.271 58 P C -0.293 177.006 177.300 -0.003 0.000 1.216 58 P CA -0.252 62.829 63.100 -0.031 0.000 0.776 58 P CB 0.469 32.134 31.700 -0.059 0.000 0.881 59 F N 1.488 121.534 119.950 0.160 0.000 2.602 59 F HA 0.234 4.283 4.527 -0.796 0.000 0.385 59 F C 1.934 177.870 175.800 0.227 0.000 1.063 59 F CA 2.009 60.108 58.000 0.165 0.000 1.233 59 F CB -0.268 38.816 39.000 0.140 0.000 1.067 59 F HN 0.700 nan 8.300 nan 0.000 0.564 60 G N 3.166 112.212 108.800 0.409 0.000 2.148 60 G HA2 -0.269 3.214 3.960 -0.794 0.000 0.203 60 G HA3 -0.269 3.214 3.960 -0.794 0.000 0.203 60 G C 0.629 175.748 174.900 0.364 0.000 0.993 60 G CA 0.051 45.362 45.100 0.351 0.000 0.661 60 G HN 0.777 nan 8.290 nan 0.000 0.518 61 W N 1.059 122.399 121.300 0.066 0.000 2.587 61 W HA 0.247 4.428 4.660 -0.797 0.000 0.307 61 W C 0.218 176.741 176.519 0.006 0.000 1.138 61 W CA 1.764 59.085 57.345 -0.041 0.000 1.450 61 W CB -0.120 29.187 29.460 -0.255 0.000 1.149 61 W HN 0.146 nan 8.180 nan 0.000 0.512 62 T N 2.451 117.200 114.554 0.326 0.000 2.743 62 T HA 0.080 3.954 4.350 -0.794 0.000 0.293 62 T C 0.814 175.584 174.700 0.117 0.000 0.945 62 T CA -0.218 61.991 62.100 0.181 0.000 1.030 62 T CB 1.358 70.348 68.868 0.202 0.000 0.912 62 T HN 0.208 nan 8.240 nan 0.000 0.483 63 Q N 2.444 122.280 119.800 0.059 0.000 2.365 63 Q HA 0.065 3.928 4.340 -0.794 0.000 0.203 63 Q C 1.538 177.570 176.000 0.053 0.000 0.929 63 Q CA 0.205 56.041 55.803 0.056 0.000 0.948 63 Q CB -0.115 28.637 28.738 0.023 0.000 1.043 63 Q HN 0.606 nan 8.270 nan 0.000 0.505 64 R N 0.500 121.031 120.500 0.053 0.000 2.223 64 R HA 0.191 4.055 4.340 -0.794 0.000 0.198 64 R C 0.201 176.536 176.300 0.058 0.000 0.984 64 R CA 0.010 56.137 56.100 0.045 0.000 1.018 64 R CB 0.060 30.380 30.300 0.032 0.000 0.945 64 R HN -0.049 nan 8.270 nan 0.000 0.479 65 K N 2.428 122.877 120.400 0.082 0.000 2.322 65 K HA 0.098 3.941 4.320 -0.794 0.000 0.283 65 K C -0.010 176.676 176.600 0.143 0.000 1.042 65 K CA 0.131 56.481 56.287 0.105 0.000 0.958 65 K CB 1.375 33.944 32.500 0.115 0.000 0.984 65 K HN 0.235 nan 8.250 nan 0.000 0.473 66 T N -0.031 114.598 114.554 0.126 0.000 2.910 66 T HA 0.368 4.241 4.350 -0.794 0.000 0.279 66 T C -0.062 174.736 174.700 0.165 0.000 0.989 66 T CA -1.005 61.169 62.100 0.124 0.000 0.968 66 T CB 1.524 70.411 68.868 0.031 0.000 1.135 66 T HN 0.559 nan 8.240 nan 0.000 0.562 67 R N 0.829 121.367 120.500 0.063 0.000 2.337 67 R HA 0.306 4.170 4.340 -0.794 0.000 0.319 67 R C -0.395 175.869 176.300 -0.060 0.000 0.954 67 R CA -0.402 55.610 56.100 -0.147 0.000 0.840 67 R CB -0.013 29.957 30.300 -0.550 0.000 1.164 67 R HN 0.822 nan 8.270 nan 0.000 0.472 68 N N 3.107 121.774 118.700 -0.055 0.000 2.714 68 N HA -0.211 4.052 4.740 -0.794 0.000 0.250 68 N C 0.533 175.938 175.510 -0.176 0.000 1.117 68 N CA 1.622 54.647 53.050 -0.042 0.000 0.719 68 N CB -1.086 37.419 38.487 0.029 0.000 1.081 68 N HN 1.068 nan 8.380 nan 0.000 0.557 69 G N -2.214 106.440 108.800 -0.244 0.000 2.195 69 G HA2 -0.260 3.224 3.960 -0.794 0.000 0.224 69 G HA3 -0.260 3.224 3.960 -0.794 0.000 0.224 69 G C -0.115 174.360 174.900 -0.708 0.000 0.990 69 G CA 0.208 44.992 45.100 -0.527 0.000 0.639 69 G HN 0.361 nan 8.290 nan 0.000 0.514 70 F N 0.979 120.939 119.950 0.016 0.000 2.577 70 F HA 0.695 4.746 4.527 -0.795 0.000 0.318 70 F C 0.863 176.678 175.800 0.025 0.000 1.065 70 F CA -1.301 56.710 58.000 0.019 0.000 0.929 70 F CB 1.122 40.133 39.000 0.018 0.000 1.237 70 F HN -0.126 nan 8.300 nan 0.000 0.468 71 R N 1.432 122.066 120.500 0.223 0.000 2.537 71 R HA 0.356 4.219 4.340 -0.794 0.000 0.280 71 R C -0.689 175.679 176.300 0.113 0.000 1.058 71 R CA -0.527 55.657 56.100 0.139 0.000 1.057 71 R CB 0.544 30.900 30.300 0.094 0.000 0.973 71 R HN 0.551 nan 8.270 nan 0.000 0.438 72 V N 1.155 121.133 119.914 0.107 0.000 2.637 72 V HA 0.239 3.882 4.120 -0.794 0.000 0.296 72 V C -1.608 174.473 176.094 -0.022 0.000 1.046 72 V CA -1.833 60.507 62.300 0.066 0.000 1.066 72 V CB 0.312 32.219 31.823 0.140 0.000 0.968 72 V HN 0.676 nan 8.190 nan 0.000 0.483 73 P HA 0.326 nan 4.420 nan 0.000 0.275 73 P C -0.107 177.118 177.300 -0.125 0.000 1.228 73 P CA -0.611 62.372 63.100 -0.196 0.000 0.786 73 P CB 0.881 32.342 31.700 -0.398 0.000 0.927 74 L N 1.472 122.642 121.223 -0.087 0.000 2.543 74 L HA -0.053 3.811 4.340 -0.794 0.000 0.285 74 L C 2.025 178.854 176.870 -0.068 0.000 1.236 74 L CA -0.130 54.666 54.840 -0.074 0.000 0.871 74 L CB 0.028 42.047 42.059 -0.067 0.000 1.121 74 L HN 0.516 nan 8.230 nan 0.000 0.501 75 A N 3.564 126.337 122.820 -0.078 0.000 1.851 75 A HA -0.241 3.602 4.320 -0.794 0.000 0.216 75 A C 2.265 179.842 177.584 -0.011 0.000 1.195 75 A CA 1.908 53.917 52.037 -0.046 0.000 0.622 75 A CB -0.435 18.493 19.000 -0.120 0.000 0.831 75 A HN 0.878 nan 8.150 nan 0.000 0.444 76 R N 0.201 120.683 120.500 -0.030 0.000 2.117 76 R HA -0.184 3.679 4.340 -0.794 0.000 0.243 76 R C 2.011 178.337 176.300 0.043 0.000 1.143 76 R CA 2.212 58.331 56.100 0.031 0.000 0.968 76 R CB -0.557 29.785 30.300 0.070 0.000 0.863 76 R HN 0.739 nan 8.270 nan 0.000 0.444 77 E N -0.892 119.315 120.200 0.012 0.000 2.047 77 E HA -0.120 3.753 4.350 -0.794 0.000 0.191 77 E C 1.699 178.308 176.600 0.014 0.000 0.987 77 E CA 1.456 57.860 56.400 0.006 0.000 0.799 77 E CB 0.085 29.770 29.700 -0.026 0.000 0.752 77 E HN 0.214 nan 8.360 nan 0.000 0.449 78 V N 0.592 120.513 119.914 0.011 0.000 2.490 78 V HA -0.237 3.406 4.120 -0.794 0.000 0.250 78 V C 2.379 178.542 176.094 0.115 0.000 1.061 78 V CA 1.719 64.053 62.300 0.057 0.000 1.064 78 V CB -0.512 31.369 31.823 0.096 0.000 0.670 78 V HN 0.267 nan 8.190 nan 0.000 0.461 79 S N 0.696 116.465 115.700 0.116 0.000 2.344 79 S HA -0.212 3.781 4.470 -0.794 0.000 0.217 79 S C 1.982 176.646 174.600 0.107 0.000 1.033 79 S CA 1.859 60.143 58.200 0.139 0.000 1.017 79 S CB -0.439 62.833 63.200 0.121 0.000 0.941 79 S HN 0.659 nan 8.310 nan 0.000 0.430 80 N N 1.318 120.063 118.700 0.075 0.000 2.137 80 N HA -0.101 4.163 4.740 -0.794 0.000 0.190 80 N C 1.596 177.139 175.510 0.054 0.000 1.017 80 N CA 1.274 54.356 53.050 0.054 0.000 0.859 80 N CB -0.286 38.222 38.487 0.034 0.000 1.002 80 N HN 0.540 nan 8.380 nan 0.000 0.428 81 K N -0.560 119.872 120.400 0.053 0.000 2.242 81 K HA 0.232 4.075 4.320 -0.794 0.000 0.200 81 K C 1.482 178.119 176.600 0.062 0.000 1.050 81 K CA 0.471 56.785 56.287 0.046 0.000 0.981 81 K CB 0.598 33.114 32.500 0.027 0.000 0.795 81 K HN 0.124 nan 8.250 nan 0.000 0.477 82 I N -0.706 119.913 120.570 0.082 0.000 3.971 82 I HA -0.073 3.621 4.170 -0.794 0.000 0.303 82 I C 1.609 177.793 176.117 0.112 0.000 1.233 82 I CA 0.194 61.546 61.300 0.087 0.000 1.346 82 I CB 0.769 38.822 38.000 0.089 0.000 1.273 82 I HN -0.217 nan 8.210 nan 0.000 0.448 83 V N 0.926 120.929 119.914 0.147 0.000 2.788 83 V HA 0.142 3.786 4.120 -0.794 0.000 0.251 83 V C 1.353 177.584 176.094 0.229 0.000 1.068 83 V CA 0.954 63.370 62.300 0.194 0.000 1.090 83 V CB -0.883 31.098 31.823 0.262 0.000 0.710 83 V HN 0.386 nan 8.190 nan 0.000 0.467 84 G N -0.540 108.370 108.800 0.183 0.000 2.477 84 G HA2 0.553 4.036 3.960 -0.794 0.000 0.304 84 G HA3 0.553 4.036 3.960 -0.794 0.000 0.304 84 G C -1.082 173.965 174.900 0.246 0.000 1.175 84 G CA -0.228 44.968 45.100 0.160 0.000 0.907 84 G HN 0.471 nan 8.290 nan 0.000 0.509 85 Y N -1.589 118.749 120.300 0.064 0.000 2.624 85 Y HA 0.555 4.626 4.550 -0.798 0.000 0.334 85 Y C -0.256 175.676 175.900 0.053 0.000 1.155 85 Y CA -1.247 56.885 58.100 0.053 0.000 1.046 85 Y CB 0.959 39.452 38.460 0.055 0.000 1.316 85 Y HN 0.291 nan 8.280 nan 0.000 0.457 86 L N 0.062 121.364 121.223 0.132 0.000 2.349 86 L HA 0.173 4.036 4.340 -0.794 0.000 0.200 86 L C 0.233 177.189 176.870 0.143 0.000 1.064 86 L CA 0.272 55.138 54.840 0.043 0.000 0.821 86 L CB 0.131 42.218 42.059 0.047 0.000 1.027 86 L HN 0.659 nan 8.230 nan 0.000 0.476 87 D N 1.109 121.650 120.400 0.236 0.000 2.349 87 D HA -0.037 4.126 4.640 -0.794 0.000 0.266 87 D C 0.617 177.087 176.300 0.284 0.000 1.293 87 D CA 0.378 54.498 54.000 0.200 0.000 0.926 87 D CB 1.315 42.199 40.800 0.140 0.000 1.090 87 D HN 0.010 nan 8.370 nan 0.000 0.502 88 E N 2.418 122.756 120.200 0.230 0.000 2.489 88 E HA -0.020 3.854 4.350 -0.794 0.000 0.193 88 E C 0.143 176.838 176.600 0.159 0.000 1.057 88 E CA -0.012 56.545 56.400 0.262 0.000 0.866 88 E CB 0.050 29.866 29.700 0.193 0.000 0.916 88 E HN 0.550 nan 8.360 nan 0.000 0.500 89 E N -0.521 119.749 120.200 0.117 0.000 2.316 89 E HA 0.208 4.081 4.350 -0.794 0.000 0.275 89 E C 0.287 176.922 176.600 0.058 0.000 1.029 89 E CA 0.491 56.939 56.400 0.079 0.000 0.871 89 E CB 0.298 30.037 29.700 0.065 0.000 1.022 89 E HN 0.320 nan 8.360 nan 0.000 0.418 90 G N 3.198 112.029 108.800 0.051 0.000 2.198 90 G HA2 -0.261 3.222 3.960 -0.794 0.000 0.260 90 G HA3 -0.261 3.222 3.960 -0.794 0.000 0.260 90 G C 0.483 175.396 174.900 0.021 0.000 1.025 90 G CA 0.313 45.434 45.100 0.035 0.000 0.769 90 G HN 0.522 nan 8.290 nan 0.000 0.507 91 V N 0.131 120.064 119.914 0.032 0.000 3.647 91 V HA 0.412 4.056 4.120 -0.794 0.000 0.279 91 V C 1.326 177.445 176.094 0.042 0.000 1.314 91 V CA 0.212 62.516 62.300 0.007 0.000 1.125 91 V CB -0.153 31.665 31.823 -0.009 0.000 0.907 91 V HN 0.413 nan 8.190 nan 0.000 0.434 92 L N 0.567 121.826 121.223 0.059 0.000 2.399 92 L HA 0.417 4.281 4.340 -0.794 0.000 0.266 92 L C 0.224 177.135 176.870 0.069 0.000 1.114 92 L CA -0.285 54.602 54.840 0.078 0.000 0.804 92 L CB 0.666 42.775 42.059 0.083 0.000 1.146 92 L HN 0.056 nan 8.230 nan 0.000 0.451 93 D N 1.877 122.329 120.400 0.086 0.000 2.336 93 D HA 0.001 4.164 4.640 -0.794 0.000 0.249 93 D C 0.614 176.948 176.300 0.056 0.000 1.213 93 D CA -0.178 53.865 54.000 0.071 0.000 0.870 93 D CB 1.329 42.190 40.800 0.101 0.000 1.076 93 D HN 0.419 nan 8.370 nan 0.000 0.483 94 Q N 2.401 122.222 119.800 0.036 0.000 2.437 94 Q HA -0.104 3.760 4.340 -0.794 0.000 0.210 94 Q C 0.474 176.486 176.000 0.021 0.000 0.972 94 Q CA 0.727 56.549 55.803 0.033 0.000 0.903 94 Q CB 0.034 28.786 28.738 0.024 0.000 0.967 94 Q HN 0.404 nan 8.270 nan 0.000 0.486 95 N N 0.272 118.971 118.700 -0.002 0.000 2.536 95 N HA 0.071 4.335 4.740 -0.794 0.000 0.286 95 N C -1.342 174.124 175.510 -0.074 0.000 1.577 95 N CA -0.065 52.968 53.050 -0.029 0.000 0.883 95 N CB 0.534 38.993 38.487 -0.048 0.000 1.390 95 N HN -0.164 nan 8.380 nan 0.000 0.491 96 R N 0.334 120.815 120.500 -0.031 0.000 2.508 96 R HA 0.270 4.133 4.340 -0.794 0.000 0.283 96 R C -0.554 175.822 176.300 0.127 0.000 1.120 96 R CA -0.497 55.579 56.100 -0.040 0.000 0.958 96 R CB 0.971 31.164 30.300 -0.178 0.000 1.215 96 R HN 0.315 nan 8.270 nan 0.000 0.427 97 S N 2.071 117.877 115.700 0.177 0.000 2.593 97 S HA 0.171 4.164 4.470 -0.794 0.000 0.269 97 S C 1.395 176.165 174.600 0.282 0.000 1.334 97 S CA -0.732 57.591 58.200 0.205 0.000 1.015 97 S CB 0.833 64.134 63.200 0.168 0.000 0.912 97 S HN 0.667 nan 8.310 nan 0.000 0.541 98 L N 0.768 122.124 121.223 0.222 0.000 2.265 98 L HA -0.065 3.798 4.340 -0.794 0.000 0.215 98 L C 2.133 179.133 176.870 0.216 0.000 1.117 98 L CA 1.099 56.063 54.840 0.207 0.000 0.782 98 L CB -0.645 41.506 42.059 0.153 0.000 0.914 98 L HN 0.852 nan 8.230 nan 0.000 0.441 99 L N -0.648 120.705 121.223 0.216 0.000 2.131 99 L HA -0.243 3.620 4.340 -0.794 0.000 0.210 99 L C 2.238 179.362 176.870 0.424 0.000 1.092 99 L CA 1.661 56.615 54.840 0.191 0.000 0.759 99 L CB -0.819 41.238 42.059 -0.004 0.000 0.903 99 L HN 0.197 nan 8.230 nan 0.000 0.435 100 F N -0.388 119.807 119.950 0.408 0.000 2.120 100 F HA -0.291 3.786 4.527 -0.750 0.000 0.300 100 F C 2.399 178.416 175.800 0.361 0.000 1.095 100 F CA 2.210 60.487 58.000 0.462 0.000 1.249 100 F CB -0.407 38.788 39.000 0.326 0.000 0.995 100 F HN 0.230 nan 8.300 nan 0.000 0.480 101 M N 0.145 119.837 119.600 0.153 0.000 2.077 101 M HA -0.216 3.787 4.480 -0.794 0.000 0.261 101 M C 2.228 178.491 176.300 -0.061 0.000 1.070 101 M CA 1.907 57.193 55.300 -0.023 0.000 1.125 101 M CB -0.988 31.660 32.600 0.080 0.000 1.339 101 M HN 0.284 nan 8.290 nan 0.000 0.409 102 Q N -0.195 119.626 119.800 0.035 0.000 2.170 102 Q HA -0.208 3.655 4.340 -0.794 0.000 0.203 102 Q C 1.781 177.755 176.000 -0.042 0.000 0.976 102 Q CA 1.967 57.766 55.803 -0.005 0.000 0.858 102 Q CB -0.794 27.982 28.738 0.062 0.000 0.907 102 Q HN 0.722 nan 8.270 nan 0.000 0.433 103 W N -0.348 120.844 121.300 -0.179 0.000 2.436 103 W HA -0.005 4.225 4.660 -0.716 0.000 0.284 103 W C 1.514 177.721 176.519 -0.520 0.000 1.225 103 W CA 1.166 58.335 57.345 -0.292 0.000 1.271 103 W CB -0.222 29.132 29.460 -0.177 0.000 1.114 103 W HN 0.288 nan 8.180 nan 0.000 0.559 104 G N 0.693 109.183 108.800 -0.517 0.000 2.446 104 G HA2 -0.391 3.093 3.960 -0.794 0.000 0.217 104 G HA3 -0.391 3.093 3.960 -0.794 0.000 0.217 104 G C 1.396 175.867 174.900 -0.715 0.000 1.168 104 G CA 1.231 45.984 45.100 -0.578 0.000 0.771 104 G HN 0.415 nan 8.290 nan 0.000 0.551 105 Q N -0.227 119.190 119.800 -0.638 0.000 2.170 105 Q HA -0.043 3.821 4.340 -0.794 0.000 0.203 105 Q C 2.497 178.007 176.000 -0.817 0.000 0.976 105 Q CA 0.928 56.288 55.803 -0.738 0.000 0.858 105 Q CB -0.188 28.207 28.738 -0.571 0.000 0.907 105 Q HN 0.589 nan 8.270 nan 0.000 0.433 106 I N -0.383 119.781 120.570 -0.676 0.000 2.133 106 I HA -0.273 3.421 4.170 -0.794 0.000 0.238 106 I C 2.223 178.026 176.117 -0.524 0.000 1.074 106 I CA 0.907 61.826 61.300 -0.635 0.000 1.342 106 I CB -0.271 37.236 38.000 -0.822 0.000 1.053 106 I HN 0.086 nan 8.210 nan 0.000 0.404 107 V N 0.946 120.480 119.914 -0.633 0.000 2.282 107 V HA -0.383 3.261 4.120 -0.794 0.000 0.249 107 V C 2.186 178.348 176.094 0.114 0.000 1.057 107 V CA 2.506 64.670 62.300 -0.227 0.000 1.032 107 V CB -0.811 30.968 31.823 -0.074 0.000 0.645 107 V HN 0.529 nan 8.190 nan 0.000 0.447 108 D N -0.735 119.693 120.400 0.046 0.000 2.116 108 D HA -0.247 3.917 4.640 -0.794 0.000 0.193 108 D C 1.989 178.390 176.300 0.168 0.000 0.998 108 D CA 1.877 55.934 54.000 0.095 0.000 0.836 108 D CB -0.198 40.285 40.800 -0.529 0.000 0.951 108 D HN 0.697 nan 8.370 nan 0.000 0.449 109 H N -1.278 117.729 119.070 -0.104 0.000 2.547 109 H HA -0.025 4.165 4.556 -0.609 0.000 0.272 109 H C 1.141 176.449 175.328 -0.033 0.000 0.989 109 H CA 0.431 56.426 56.048 -0.088 0.000 1.214 109 H CB 0.363 30.043 29.762 -0.136 0.000 1.389 109 H HN 0.212 nan 8.280 nan 0.000 0.577 110 D N 0.721 121.188 120.400 0.113 0.000 2.234 110 D HA -0.062 4.102 4.640 -0.794 0.000 0.205 110 D C 1.780 178.171 176.300 0.152 0.000 0.962 110 D CA 0.582 54.650 54.000 0.113 0.000 0.855 110 D CB 0.431 41.288 40.800 0.096 0.000 0.951 110 D HN 0.384 nan 8.370 nan 0.000 0.500 111 L N -0.034 121.299 121.223 0.183 0.000 2.470 111 L HA 0.181 4.044 4.340 -0.794 0.000 0.219 111 L C 0.135 177.085 176.870 0.133 0.000 1.071 111 L CA 0.225 55.160 54.840 0.158 0.000 0.850 111 L CB 0.255 42.425 42.059 0.186 0.000 1.040 111 L HN -0.053 nan 8.230 nan 0.000 0.475 112 D N -1.255 119.246 120.400 0.169 0.000 2.717 112 D HA 0.344 4.507 4.640 -0.794 0.000 0.223 112 D C -1.431 174.997 176.300 0.213 0.000 1.240 112 D CA -0.340 53.754 54.000 0.156 0.000 0.801 112 D CB 2.857 43.743 40.800 0.143 0.000 1.556 112 D HN -0.213 nan 8.370 nan 0.000 0.462 113 F N 0.858 120.793 119.950 -0.025 0.000 2.881 113 F HA 0.521 4.571 4.527 -0.795 0.000 0.348 113 F C -1.798 173.986 175.800 -0.027 0.000 1.240 113 F CA -0.805 57.160 58.000 -0.058 0.000 1.130 113 F CB 1.444 40.396 39.000 -0.080 0.000 1.417 113 F HN 0.628 nan 8.300 nan 0.000 0.585 114 A N 7.340 130.006 122.820 -0.258 0.000 2.444 114 A HA 0.758 4.601 4.320 -0.794 0.000 0.332 114 A C -2.738 174.519 177.584 -0.545 0.000 1.430 114 A CA -1.440 50.430 52.037 -0.279 0.000 0.975 114 A CB -0.292 18.742 19.000 0.057 0.000 1.147 114 A HN 0.385 nan 8.150 nan 0.000 0.524 115 P HA 0.251 nan 4.420 nan 0.000 0.278 115 P C -0.128 176.977 177.300 -0.325 0.000 1.238 115 P CA -0.328 62.325 63.100 -0.745 0.000 0.794 115 P CB 0.643 31.935 31.700 -0.681 0.000 0.955 116 E N 0.364 120.423 120.200 -0.235 0.000 2.415 116 E HA 0.094 3.967 4.350 -0.794 0.000 0.262 116 E C 0.193 176.710 176.600 -0.138 0.000 1.038 116 E CA 0.072 56.384 56.400 -0.146 0.000 0.921 116 E CB 0.236 29.847 29.700 -0.148 0.000 0.950 116 E HN 0.489 nan 8.360 nan 0.000 0.438 117 T N -0.056 114.459 114.554 -0.065 0.000 2.940 117 T HA 0.012 3.886 4.350 -0.794 0.000 0.309 117 T C 0.603 175.220 174.700 -0.139 0.000 1.056 117 T CA -0.324 61.739 62.100 -0.061 0.000 1.137 117 T CB 1.574 70.481 68.868 0.065 0.000 0.976 117 T HN 0.529 nan 8.240 nan 0.000 0.547 118 E N 0.921 121.033 120.200 -0.146 0.000 2.799 118 E HA 0.212 4.085 4.350 -0.794 0.000 0.298 118 E C 0.270 176.784 176.600 -0.143 0.000 0.805 118 E CA -0.373 55.922 56.400 -0.176 0.000 1.265 118 E CB 0.017 29.626 29.700 -0.153 0.000 2.052 118 E HN 0.560 nan 8.360 nan 0.000 0.541 119 L N 0.122 121.281 121.223 -0.107 0.000 3.851 119 L HA -0.226 3.637 4.340 -0.794 0.000 0.438 119 L C 0.090 176.915 176.870 -0.075 0.000 1.171 119 L CA 1.191 55.988 54.840 -0.072 0.000 0.895 119 L CB -1.783 40.254 42.059 -0.037 0.000 1.800 119 L HN 0.356 nan 8.230 nan 0.000 0.960 120 G N -0.449 108.283 108.800 -0.113 0.000 3.598 120 G HA2 0.568 4.052 3.960 -0.794 0.000 0.320 120 G HA3 0.568 4.052 3.960 -0.794 0.000 0.320 120 G C -0.293 174.537 174.900 -0.117 0.000 1.560 120 G CA 0.325 45.352 45.100 -0.121 0.000 0.904 120 G HN 0.335 nan 8.290 nan 0.000 0.489 121 S N 0.196 115.845 115.700 -0.085 0.000 2.524 121 S HA 0.606 4.599 4.470 -0.794 0.000 0.227 121 S C 0.164 174.724 174.600 -0.066 0.000 1.304 121 S CA -0.187 57.965 58.200 -0.080 0.000 1.185 121 S CB 1.295 64.451 63.200 -0.073 0.000 1.104 121 S HN 1.416 nan 8.310 nan 0.000 0.475 122 S N 0.427 116.086 115.700 -0.070 0.000 4.064 122 S HA -0.145 3.849 4.470 -0.794 0.000 0.405 122 S C -0.371 174.189 174.600 -0.067 0.000 0.923 122 S CA 0.735 58.892 58.200 -0.072 0.000 1.172 122 S CB -1.095 62.066 63.200 -0.065 0.000 0.833 122 S HN 1.048 nan 8.310 nan 0.000 0.528 123 E N -0.319 119.850 120.200 -0.051 0.000 2.299 123 E HA 0.640 4.514 4.350 -0.794 0.000 0.265 123 E C 0.194 176.825 176.600 0.052 0.000 0.911 123 E CA -0.659 55.740 56.400 -0.002 0.000 0.789 123 E CB 1.008 30.714 29.700 0.010 0.000 1.246 123 E HN 0.483 nan 8.360 nan 0.000 0.427 124 H N 0.705 119.805 119.070 0.050 0.000 2.755 124 H HA 0.175 4.254 4.556 -0.795 0.000 0.273 124 H C 1.233 176.632 175.328 0.118 0.000 1.055 124 H CA 0.274 56.370 56.048 0.080 0.000 1.191 124 H CB 0.905 30.712 29.762 0.076 0.000 1.536 124 H HN 0.443 nan 8.280 nan 0.000 0.529 125 S N 0.685 116.526 115.700 0.235 0.000 2.383 125 S HA -0.118 3.876 4.470 -0.794 0.000 0.227 125 S C 1.840 176.634 174.600 0.322 0.000 1.026 125 S CA 1.101 59.442 58.200 0.235 0.000 0.981 125 S CB 0.098 63.418 63.200 0.201 0.000 0.818 125 S HN 0.386 nan 8.310 nan 0.000 0.472 126 K N 0.348 120.912 120.400 0.272 0.000 2.211 126 K HA -0.046 3.797 4.320 -0.794 0.000 0.204 126 K C 1.823 178.633 176.600 0.350 0.000 1.047 126 K CA 1.425 57.910 56.287 0.331 0.000 0.935 126 K CB -0.138 32.412 32.500 0.083 0.000 0.728 126 K HN 0.308 nan 8.250 nan 0.000 0.452 127 V N 0.523 120.602 119.914 0.275 0.000 2.685 127 V HA -0.121 3.523 4.120 -0.794 0.000 0.244 127 V C 2.260 178.455 176.094 0.168 0.000 1.054 127 V CA 1.002 63.428 62.300 0.209 0.000 1.076 127 V CB -0.179 31.803 31.823 0.264 0.000 0.725 127 V HN 0.287 nan 8.190 nan 0.000 0.467 128 Q N -0.837 119.083 119.800 0.200 0.000 2.170 128 Q HA -0.243 3.620 4.340 -0.794 0.000 0.203 128 Q C 2.297 178.398 176.000 0.168 0.000 0.976 128 Q CA 2.098 58.034 55.803 0.222 0.000 0.858 128 Q CB -0.211 28.618 28.738 0.152 0.000 0.907 128 Q HN 0.673 nan 8.270 nan 0.000 0.433 129 c N 0.116 118.797 118.600 0.134 0.000 2.505 129 c HA 0.012 4.106 4.570 -0.794 0.000 0.279 129 c C 2.447 176.523 174.090 -0.022 0.000 1.316 129 c CA 0.355 56.682 56.329 -0.004 0.000 1.720 129 c CB -0.540 41.850 42.510 -0.200 0.000 2.050 129 c HN 0.551 nan 8.230 nan 0.000 0.493 130 E N 0.440 120.679 120.200 0.065 0.000 2.017 130 E HA -0.147 3.726 4.350 -0.794 0.000 0.193 130 E C 2.113 178.650 176.600 -0.105 0.000 0.997 130 E CA 1.245 57.649 56.400 0.007 0.000 0.804 130 E CB -0.266 29.498 29.700 0.106 0.000 0.757 130 E HN 0.614 nan 8.360 nan 0.000 0.448 131 E N -0.578 119.516 120.200 -0.176 0.000 2.230 131 E HA -0.082 3.792 4.350 -0.794 0.000 0.192 131 E C 1.376 177.536 176.600 -0.734 0.000 0.987 131 E CA 0.792 56.893 56.400 -0.499 0.000 0.841 131 E CB 0.039 29.304 29.700 -0.724 0.000 0.783 131 E HN 0.415 nan 8.360 nan 0.000 0.481 132 Y N -1.466 118.806 120.300 -0.046 0.000 2.527 132 Y HA 0.198 4.271 4.550 -0.794 0.000 0.247 132 Y C 0.550 176.407 175.900 -0.071 0.000 1.138 132 Y CA -0.565 57.502 58.100 -0.054 0.000 1.228 132 Y CB 0.142 38.571 38.460 -0.051 0.000 1.252 132 Y HN -0.147 nan 8.280 nan 0.000 0.531 133 c N 1.753 120.348 118.600 -0.007 0.000 3.727 133 c HA -0.145 3.949 4.570 -0.794 0.000 0.293 133 c C 0.346 174.410 174.090 -0.044 0.000 1.339 133 c CA -0.641 55.646 56.329 -0.069 0.000 2.150 133 c CB -2.946 39.494 42.510 -0.117 0.000 1.383 133 c HN 0.175 nan 8.230 nan 0.000 0.614 134 V N 2.337 122.247 119.914 -0.008 0.000 2.311 134 V HA 0.246 3.889 4.120 -0.794 0.000 0.275 134 V C 0.555 176.616 176.094 -0.055 0.000 1.022 134 V CA 0.196 62.484 62.300 -0.020 0.000 0.830 134 V CB 1.579 33.416 31.823 0.022 0.000 1.012 134 V HN 0.692 nan 8.190 nan 0.000 0.452 135 Q N 3.440 123.162 119.800 -0.130 0.000 2.300 135 Q HA 0.379 4.242 4.340 -0.794 0.000 0.280 135 Q C 0.699 176.637 176.000 -0.103 0.000 1.033 135 Q CA 1.013 56.686 55.803 -0.218 0.000 0.903 135 Q CB 0.861 29.309 28.738 -0.484 0.000 1.195 135 Q HN 0.901 nan 8.270 nan 0.000 0.386 136 G N 3.343 112.192 108.800 0.082 0.000 2.861 136 G HA2 -0.004 3.480 3.960 -0.794 0.000 0.160 136 G HA3 -0.004 3.480 3.960 -0.794 0.000 0.160 136 G C 0.040 175.172 174.900 0.387 0.000 1.570 136 G CA 0.296 45.526 45.100 0.217 0.000 0.925 136 G HN 0.625 nan 8.290 nan 0.000 0.754 137 D N -0.077 120.500 120.400 0.296 0.000 2.799 137 D HA 0.132 4.295 4.640 -0.794 0.000 0.267 137 D C 1.766 178.223 176.300 0.262 0.000 1.468 137 D CA 0.501 54.641 54.000 0.232 0.000 1.077 137 D CB 0.497 41.400 40.800 0.170 0.000 1.065 137 D HN 0.144 nan 8.370 nan 0.000 0.359 138 E N 0.017 120.388 120.200 0.284 0.000 2.472 138 E HA 0.065 3.938 4.350 -0.794 0.000 0.196 138 E C 0.399 177.236 176.600 0.395 0.000 1.033 138 E CA -0.141 56.456 56.400 0.330 0.000 0.886 138 E CB 0.017 29.915 29.700 0.330 0.000 0.944 138 E HN 0.067 nan 8.360 nan 0.000 0.492 139 c N 1.806 120.592 118.600 0.311 0.000 2.464 139 c HA 0.388 4.481 4.570 -0.794 0.000 0.370 139 c C -0.360 173.890 174.090 0.266 0.000 1.267 139 c CA -0.542 55.840 56.329 0.088 0.000 1.781 139 c CB -1.390 41.100 42.510 -0.034 0.000 2.431 139 c HN 0.201 nan 8.230 nan 0.000 0.556 140 F N 9.081 129.096 119.950 0.107 0.000 2.660 140 F HA 0.482 4.532 4.527 -0.796 0.000 0.352 140 F C -2.589 173.202 175.800 -0.015 0.000 1.257 140 F CA -3.167 54.900 58.000 0.112 0.000 1.200 140 F CB 0.488 39.734 39.000 0.409 0.000 1.473 140 F HN 0.443 nan 8.300 nan 0.000 0.561 141 P HA 0.126 nan 4.420 nan 0.000 0.266 141 P C -0.190 176.823 177.300 -0.478 0.000 1.195 141 P CA 0.416 63.340 63.100 -0.294 0.000 0.768 141 P CB 0.762 32.315 31.700 -0.245 0.000 0.838 142 I N 3.918 124.214 120.570 -0.458 0.000 2.287 142 I HA 0.152 3.845 4.170 -0.794 0.000 0.290 142 I C 0.618 176.413 176.117 -0.538 0.000 1.069 142 I CA -0.491 60.516 61.300 -0.489 0.000 1.237 142 I CB 0.189 37.949 38.000 -0.400 0.000 1.418 142 I HN 0.144 nan 8.210 nan 0.000 0.481 143 M N 5.481 124.816 119.600 -0.442 0.000 2.226 143 M HA 0.303 4.306 4.480 -0.794 0.000 0.324 143 M C -0.277 175.782 176.300 -0.402 0.000 1.112 143 M CA 0.162 55.203 55.300 -0.432 0.000 1.176 143 M CB -0.066 32.391 32.600 -0.238 0.000 1.430 143 M HN 0.225 nan 8.290 nan 0.000 0.462 144 F N 2.874 122.763 119.950 -0.101 0.000 2.394 144 F HA 0.377 4.427 4.527 -0.796 0.000 0.340 144 F C -1.401 174.357 175.800 -0.070 0.000 1.105 144 F CA -1.715 56.234 58.000 -0.086 0.000 1.124 144 F CB 0.686 39.635 39.000 -0.084 0.000 1.145 144 F HN 0.382 nan 8.300 nan 0.000 0.505 145 P HA 0.053 nan 4.420 nan 0.000 0.274 145 P C -0.929 176.402 177.300 0.051 0.000 1.256 145 P CA -0.728 62.406 63.100 0.056 0.000 0.795 145 P CB 0.884 32.602 31.700 0.030 0.000 1.038 146 K N 1.129 121.542 120.400 0.022 0.000 2.485 146 K HA -0.082 3.762 4.320 -0.794 0.000 0.277 146 K C 0.369 176.969 176.600 -0.001 0.000 0.990 146 K CA 0.582 56.875 56.287 0.010 0.000 0.994 146 K CB -0.654 31.848 32.500 0.003 0.000 0.906 146 K HN 0.528 nan 8.250 nan 0.000 0.488 147 N N 1.000 119.692 118.700 -0.013 0.000 2.878 147 N HA -0.210 4.054 4.740 -0.794 0.000 0.247 147 N C -1.156 174.328 175.510 -0.043 0.000 1.021 147 N CA 0.757 53.792 53.050 -0.026 0.000 0.873 147 N CB -0.584 37.893 38.487 -0.018 0.000 1.128 147 N HN 0.670 nan 8.380 nan 0.000 0.571 148 D N 0.572 120.939 120.400 -0.054 0.000 2.348 148 D HA 0.115 4.279 4.640 -0.794 0.000 0.253 148 D C -1.450 174.740 176.300 -0.183 0.000 1.161 148 D CA -1.801 52.134 54.000 -0.108 0.000 0.876 148 D CB 1.181 41.919 40.800 -0.102 0.000 1.160 148 D HN 0.019 nan 8.370 nan 0.000 0.459 149 P HA -0.100 nan 4.420 nan 0.000 0.221 149 P C 0.870 178.006 177.300 -0.273 0.000 1.145 149 P CA 1.043 64.038 63.100 -0.176 0.000 0.795 149 P CB 0.300 31.921 31.700 -0.132 0.000 0.775 150 K N -0.991 119.133 120.400 -0.461 0.000 2.442 150 K HA -0.021 3.823 4.320 -0.794 0.000 0.198 150 K C 1.806 177.988 176.600 -0.697 0.000 1.042 150 K CA 0.604 56.467 56.287 -0.706 0.000 0.958 150 K CB -0.429 31.344 32.500 -1.211 0.000 0.766 150 K HN 0.213 nan 8.250 nan 0.000 0.474 151 L N 0.805 121.728 121.223 -0.500 0.000 2.027 151 L HA -0.179 3.684 4.340 -0.794 0.000 0.206 151 L C 2.054 178.843 176.870 -0.135 0.000 1.074 151 L CA 1.415 56.123 54.840 -0.221 0.000 0.745 151 L CB -0.156 41.842 42.059 -0.101 0.000 0.898 151 L HN 0.052 nan 8.230 nan 0.000 0.433 152 K N -1.544 118.774 120.400 -0.136 0.000 2.283 152 K HA -0.108 3.735 4.320 -0.794 0.000 0.202 152 K C 1.806 178.352 176.600 -0.089 0.000 1.048 152 K CA 1.305 57.538 56.287 -0.090 0.000 0.948 152 K CB 0.036 32.488 32.500 -0.080 0.000 0.742 152 K HN 0.191 nan 8.250 nan 0.000 0.458 153 T N -0.614 113.864 114.554 -0.128 0.000 2.987 153 T HA 0.090 3.963 4.350 -0.794 0.000 0.248 153 T C 1.337 175.983 174.700 -0.090 0.000 0.997 153 T CA 0.217 62.255 62.100 -0.103 0.000 1.013 153 T CB 0.452 69.257 68.868 -0.105 0.000 1.077 153 T HN 0.108 nan 8.240 nan 0.000 0.483 154 Q N -0.512 119.218 119.800 -0.117 0.000 2.548 154 Q HA 0.495 4.359 4.340 -0.794 0.000 0.230 154 Q C 1.022 177.018 176.000 -0.008 0.000 0.899 154 Q CA 0.310 56.072 55.803 -0.067 0.000 0.936 154 Q CB 1.407 30.094 28.738 -0.086 0.000 1.114 154 Q HN 0.463 nan 8.270 nan 0.000 0.606 155 G N 0.011 108.843 108.800 0.054 0.000 2.404 155 G HA2 0.046 3.530 3.960 -0.794 0.000 0.253 155 G HA3 0.046 3.530 3.960 -0.794 0.000 0.253 155 G C -0.898 174.134 174.900 0.220 0.000 1.253 155 G CA -0.594 44.559 45.100 0.088 0.000 0.917 155 G HN -0.113 nan 8.290 nan 0.000 0.480 156 K N -0.801 119.672 120.400 0.122 0.000 2.361 156 K HA 0.338 4.181 4.320 -0.794 0.000 0.194 156 K C 0.531 177.043 176.600 -0.147 0.000 1.032 156 K CA 1.013 57.359 56.287 0.098 0.000 1.048 156 K CB 0.314 32.813 32.500 -0.002 0.000 0.842 156 K HN 0.842 nan 8.250 nan 0.000 0.526 157 c N -2.059 116.313 118.600 -0.381 0.000 3.284 157 c HA 0.547 4.640 4.570 -0.794 0.000 0.348 157 c C -1.516 172.138 174.090 -0.727 0.000 1.448 157 c CA -1.334 54.447 56.329 -0.913 0.000 1.223 157 c CB 0.810 43.015 42.510 -0.508 0.000 1.588 157 c HN 0.017 nan 8.230 nan 0.000 0.451 158 M N 3.150 122.340 119.600 -0.684 0.000 2.167 158 M HA 0.455 4.458 4.480 -0.794 0.000 0.333 158 M C -2.308 173.885 176.300 -0.177 0.000 1.030 158 M CA -1.454 53.622 55.300 -0.373 0.000 0.963 158 M CB 1.864 34.306 32.600 -0.262 0.000 1.589 158 M HN 0.593 nan 8.290 nan 0.000 0.431 159 P HA 0.110 nan 4.420 nan 0.000 0.270 159 P C -1.102 176.250 177.300 0.087 0.000 1.227 159 P CA 0.206 63.249 63.100 -0.095 0.000 0.788 159 P CB 0.586 32.220 31.700 -0.110 0.000 0.926 160 F N 1.015 120.791 119.950 -0.290 0.000 2.775 160 F HA 0.392 4.440 4.527 -0.798 0.000 0.339 160 F C -2.087 173.570 175.800 -0.239 0.000 1.159 160 F CA -0.808 57.111 58.000 -0.135 0.000 1.145 160 F CB 0.338 39.262 39.000 -0.126 0.000 1.408 160 F HN 0.025 nan 8.300 nan 0.000 0.597 161 F N 5.122 124.949 119.950 -0.204 0.000 2.422 161 F HA 0.647 4.696 4.527 -0.798 0.000 0.333 161 F C 0.698 176.413 175.800 -0.142 0.000 1.095 161 F CA -0.759 57.220 58.000 -0.035 0.000 1.038 161 F CB 1.371 40.346 39.000 -0.043 0.000 1.156 161 F HN 0.312 nan 8.300 nan 0.000 0.483 162 R N 1.382 122.082 120.500 0.334 0.000 2.694 162 R HA 0.508 4.372 4.340 -0.794 0.000 0.268 162 R C 0.079 176.477 176.300 0.164 0.000 1.061 162 R CA -0.484 55.802 56.100 0.310 0.000 1.133 162 R CB 0.297 30.782 30.300 0.307 0.000 1.020 162 R HN 0.753 nan 8.270 nan 0.000 0.475 163 A N 1.304 124.201 122.820 0.128 0.000 2.386 163 A HA 0.394 4.238 4.320 -0.794 0.000 0.246 163 A C 0.561 178.194 177.584 0.083 0.000 1.089 163 A CA 0.055 52.117 52.037 0.042 0.000 0.790 163 A CB 0.151 19.148 19.000 -0.004 0.000 1.042 163 A HN 0.759 nan 8.150 nan 0.000 0.497 164 G N -0.944 107.859 108.800 0.004 0.000 2.539 164 G HA2 0.517 4.001 3.960 -0.794 0.000 0.258 164 G HA3 0.517 4.001 3.960 -0.794 0.000 0.258 164 G C -0.382 174.574 174.900 0.093 0.000 1.202 164 G CA -0.113 44.984 45.100 -0.006 0.000 0.851 164 G HN 0.957 nan 8.290 nan 0.000 0.556 165 F N -0.544 119.351 119.950 -0.092 0.000 2.664 165 F HA 0.669 4.718 4.527 -0.797 0.000 0.329 165 F C 0.854 176.594 175.800 -0.100 0.000 1.090 165 F CA -1.010 56.943 58.000 -0.077 0.000 0.978 165 F CB 0.387 39.355 39.000 -0.053 0.000 1.378 165 F HN 0.416 nan 8.300 nan 0.000 0.495 166 V N -1.106 118.838 119.914 0.049 0.000 2.239 166 V HA -0.154 3.489 4.120 -0.794 0.000 0.236 166 V C 1.942 177.899 176.094 -0.228 0.000 1.040 166 V CA 1.429 63.679 62.300 -0.084 0.000 0.996 166 V CB -1.528 30.295 31.823 0.001 0.000 0.640 166 V HN 1.029 nan 8.190 nan 0.000 0.456 167 c N 1.280 119.708 118.600 -0.286 0.000 2.359 167 c HA -0.013 4.080 4.570 -0.794 0.000 0.279 167 c C 0.074 173.889 174.090 -0.457 0.000 1.191 167 c CA 1.931 58.011 56.329 -0.414 0.000 1.764 167 c CB -2.568 39.569 42.510 -0.622 0.000 2.026 167 c HN 0.644 nan 8.230 nan 0.000 0.442 168 P HA 0.410 nan 4.420 nan 0.000 0.329 168 P C 0.227 177.130 177.300 -0.662 0.000 1.293 168 P CA 1.001 63.820 63.100 -0.469 0.000 0.813 168 P CB 0.560 32.058 31.700 -0.337 0.000 1.960 169 T N -6.607 107.572 114.554 -0.625 0.000 3.421 169 T HA 0.268 4.142 4.350 -0.794 0.000 0.277 169 T C -2.487 172.007 174.700 -0.345 0.000 0.867 169 T CA 0.057 61.674 62.100 -0.805 0.000 0.957 169 T CB -1.539 67.062 68.868 -0.445 0.000 1.225 169 T HN 0.180 nan 8.240 nan 0.000 0.544 170 P HA 0.290 nan 4.420 nan 0.000 0.272 170 P C -1.875 175.550 177.300 0.209 0.000 1.240 170 P CA -0.913 62.213 63.100 0.043 0.000 0.791 170 P CB 0.031 31.738 31.700 0.012 0.000 0.978 171 P HA -0.313 nan 4.420 nan 0.000 0.221 171 P C 0.121 177.620 177.300 0.331 0.000 0.967 171 P CA 1.813 65.043 63.100 0.217 0.000 1.038 171 P CB -0.481 31.290 31.700 0.119 0.000 0.731 172 Y N -2.905 117.468 120.300 0.122 0.000 2.499 172 Y HA -0.284 3.789 4.550 -0.794 0.000 0.044 172 Y C 1.438 177.343 175.900 0.008 0.000 1.695 172 Y CA 0.893 59.056 58.100 0.105 0.000 1.424 172 Y CB -1.417 37.196 38.460 0.255 0.000 2.069 172 Y HN 0.281 nan 8.280 nan 0.000 0.253 173 Q N -1.062 118.421 119.800 -0.528 0.000 2.241 173 Q HA 0.065 3.928 4.340 -0.794 0.000 0.184 173 Q C 1.583 177.308 176.000 -0.458 0.000 0.712 173 Q CA 0.443 56.003 55.803 -0.405 0.000 0.863 173 Q CB 0.208 28.813 28.738 -0.222 0.000 1.256 173 Q HN 0.600 nan 8.270 nan 0.000 0.409 174 S N 0.969 116.316 115.700 -0.588 0.000 2.444 174 S HA -0.101 3.892 4.470 -0.794 0.000 0.225 174 S C 1.103 175.661 174.600 -0.070 0.000 1.042 174 S CA 1.266 59.367 58.200 -0.166 0.000 1.132 174 S CB -0.247 63.076 63.200 0.205 0.000 1.099 174 S HN 0.192 nan 8.310 nan 0.000 0.417 175 L N -0.767 120.477 121.223 0.036 0.000 2.902 175 L HA 0.615 4.478 4.340 -0.794 0.000 0.229 175 L C 0.128 177.020 176.870 0.036 0.000 1.324 175 L CA -0.766 54.126 54.840 0.088 0.000 1.230 175 L CB 0.350 42.565 42.059 0.260 0.000 2.134 175 L HN 0.295 nan 8.230 nan 0.000 0.567 176 A N 0.684 123.558 122.820 0.089 0.000 2.320 176 A HA 0.340 4.183 4.320 -0.794 0.000 0.287 176 A C -0.190 177.474 177.584 0.133 0.000 1.181 176 A CA -0.163 51.932 52.037 0.096 0.000 0.831 176 A CB 0.161 19.249 19.000 0.148 0.000 1.102 176 A HN 0.577 nan 8.150 nan 0.000 0.513 177 R N 2.295 122.823 120.500 0.047 0.000 2.458 177 R HA 0.113 3.976 4.340 -0.794 0.000 0.303 177 R C -1.148 175.266 176.300 0.191 0.000 1.013 177 R CA 0.547 56.660 56.100 0.022 0.000 1.026 177 R CB 0.082 30.183 30.300 -0.331 0.000 0.948 177 R HN 0.680 nan 8.270 nan 0.000 0.417 178 D N 3.597 124.106 120.400 0.181 0.000 2.375 178 D HA 0.160 4.324 4.640 -0.794 0.000 0.247 178 D C -0.630 175.757 176.300 0.146 0.000 1.061 178 D CA -0.570 53.532 54.000 0.169 0.000 0.834 178 D CB 1.913 42.804 40.800 0.151 0.000 1.247 178 D HN 0.408 nan 8.370 nan 0.000 0.489 179 Q N 0.909 120.773 119.800 0.106 0.000 2.259 179 Q HA 0.458 4.321 4.340 -0.794 0.000 0.246 179 Q C 0.049 176.086 176.000 0.061 0.000 0.920 179 Q CA -0.254 55.577 55.803 0.046 0.000 0.895 179 Q CB 1.648 30.324 28.738 -0.103 0.000 1.220 179 Q HN 0.402 nan 8.270 nan 0.000 0.439 180 I N 1.515 122.092 120.570 0.012 0.000 2.662 180 I HA 0.173 3.866 4.170 -0.794 0.000 0.291 180 I C 0.116 176.222 176.117 -0.019 0.000 1.046 180 I CA -0.528 60.763 61.300 -0.016 0.000 1.361 180 I CB 0.786 38.744 38.000 -0.069 0.000 1.429 180 I HN 0.478 nan 8.210 nan 0.000 0.558 181 N N 3.420 122.117 118.700 -0.006 0.000 2.446 181 N HA 0.423 4.686 4.740 -0.794 0.000 0.265 181 N C 0.011 175.530 175.510 0.016 0.000 0.975 181 N CA -0.373 52.682 53.050 0.009 0.000 0.928 181 N CB 1.875 40.375 38.487 0.021 0.000 1.160 181 N HN 0.686 nan 8.380 nan 0.000 0.495 182 A N 2.425 125.266 122.820 0.035 0.000 2.275 182 A HA 0.214 4.057 4.320 -0.794 0.000 0.212 182 A C 0.481 178.142 177.584 0.127 0.000 1.201 182 A CA 0.307 52.387 52.037 0.071 0.000 0.843 182 A CB -0.178 18.873 19.000 0.085 0.000 0.873 182 A HN 0.480 nan 8.150 nan 0.000 0.492 183 V N -2.896 117.098 119.914 0.133 0.000 3.046 183 V HA 0.740 4.383 4.120 -0.794 0.000 0.316 183 V C 0.110 176.259 176.094 0.092 0.000 1.104 183 V CA -0.281 62.091 62.300 0.121 0.000 1.006 183 V CB 0.916 32.817 31.823 0.130 0.000 1.058 183 V HN 0.355 nan 8.190 nan 0.000 0.440 184 T N -0.139 114.481 114.554 0.110 0.000 2.919 184 T HA 0.218 4.091 4.350 -0.794 0.000 0.302 184 T C 1.013 175.730 174.700 0.029 0.000 1.031 184 T CA 0.428 62.594 62.100 0.110 0.000 1.127 184 T CB 0.932 69.940 68.868 0.234 0.000 0.952 184 T HN 0.868 nan 8.240 nan 0.000 0.540 185 S N 1.538 117.133 115.700 -0.176 0.000 2.481 185 S HA 0.124 4.117 4.470 -0.794 0.000 0.231 185 S C 0.229 174.650 174.600 -0.297 0.000 0.996 185 S CA 0.231 58.243 58.200 -0.313 0.000 0.942 185 S CB -0.523 62.402 63.200 -0.458 0.000 0.768 185 S HN 0.698 nan 8.310 nan 0.000 0.520 186 F N 1.170 121.209 119.950 0.149 0.000 2.399 186 F HA 0.316 4.367 4.527 -0.792 0.000 0.342 186 F C 0.609 176.547 175.800 0.230 0.000 1.106 186 F CA -1.014 57.109 58.000 0.205 0.000 1.196 186 F CB 0.330 39.456 39.000 0.209 0.000 1.163 186 F HN -0.056 nan 8.300 nan 0.000 0.547 187 L N 4.071 125.584 121.223 0.484 0.000 2.505 187 L HA 0.046 3.910 4.340 -0.794 0.000 0.279 187 L C -0.101 176.995 176.870 0.377 0.000 1.211 187 L CA 0.208 55.306 54.840 0.430 0.000 1.059 187 L CB -0.650 41.741 42.059 0.553 0.000 1.340 187 L HN 0.769 nan 8.230 nan 0.000 0.447 188 D N 2.021 122.610 120.400 0.315 0.000 2.620 188 D HA 0.142 4.305 4.640 -0.794 0.000 0.260 188 D C 0.670 177.118 176.300 0.245 0.000 1.367 188 D CA 0.225 54.381 54.000 0.260 0.000 0.805 188 D CB 0.510 41.451 40.800 0.234 0.000 1.096 188 D HN 0.321 nan 8.370 nan 0.000 0.488 189 A N 0.681 123.645 122.820 0.241 0.000 2.869 189 A HA -0.236 3.607 4.320 -0.794 0.000 0.280 189 A C 1.718 179.448 177.584 0.245 0.000 1.458 189 A CA 1.142 53.320 52.037 0.236 0.000 0.776 189 A CB -2.582 16.621 19.000 0.338 0.000 1.028 189 A HN 0.737 nan 8.150 nan 0.000 0.547 190 S N -0.395 115.424 115.700 0.198 0.000 2.428 190 S HA -0.043 3.950 4.470 -0.794 0.000 0.230 190 S C 1.810 176.474 174.600 0.107 0.000 1.014 190 S CA 1.074 59.382 58.200 0.179 0.000 0.957 190 S CB -0.821 62.477 63.200 0.164 0.000 0.784 190 S HN 1.778 nan 8.310 nan 0.000 0.499 191 L N -0.325 120.941 121.223 0.072 0.000 2.353 191 L HA 0.095 3.958 4.340 -0.794 0.000 0.220 191 L C 1.921 178.828 176.870 0.061 0.000 1.133 191 L CA 0.872 55.754 54.840 0.069 0.000 0.798 191 L CB -0.537 41.541 42.059 0.033 0.000 0.922 191 L HN 0.183 nan 8.230 nan 0.000 0.445 192 V N -0.945 118.917 119.914 -0.086 0.000 2.581 192 V HA -0.073 3.571 4.120 -0.794 0.000 0.240 192 V C 1.693 177.528 176.094 -0.432 0.000 1.054 192 V CA 1.027 63.132 62.300 -0.325 0.000 1.076 192 V CB -0.406 31.047 31.823 -0.617 0.000 0.748 192 V HN 0.368 nan 8.190 nan 0.000 0.474 193 Y N 0.870 121.191 120.300 0.034 0.000 2.457 193 Y HA 0.562 4.637 4.550 -0.793 0.000 0.263 193 Y C 1.341 177.274 175.900 0.055 0.000 1.164 193 Y CA 0.173 58.300 58.100 0.044 0.000 1.274 193 Y CB -0.143 38.341 38.460 0.040 0.000 1.097 193 Y HN 0.315 nan 8.280 nan 0.000 0.523 194 G N -0.152 108.730 108.800 0.137 0.000 2.758 194 G HA2 -0.184 3.299 3.960 -0.794 0.000 0.686 194 G HA3 -0.184 3.299 3.960 -0.794 0.000 0.686 194 G C 0.388 175.360 174.900 0.120 0.000 1.389 194 G CA -0.109 45.053 45.100 0.103 0.000 0.845 194 G HN 0.098 nan 8.290 nan 0.000 0.572 195 S N 0.323 116.079 115.700 0.094 0.000 2.559 195 S HA 0.278 4.271 4.470 -0.794 0.000 0.226 195 S C 0.527 175.173 174.600 0.078 0.000 1.000 195 S CA 0.573 58.831 58.200 0.097 0.000 0.948 195 S CB 0.336 63.596 63.200 0.100 0.000 0.870 195 S HN 0.582 nan 8.310 nan 0.000 0.497 196 E N 1.041 121.280 120.200 0.064 0.000 2.238 196 E HA 0.283 4.156 4.350 -0.794 0.000 0.267 196 E C -2.199 174.426 176.600 0.041 0.000 0.887 196 E CA -2.292 54.136 56.400 0.046 0.000 0.769 196 E CB 1.729 31.449 29.700 0.033 0.000 1.187 196 E HN -0.134 nan 8.360 nan 0.000 0.416 197 P HA -0.200 nan 4.420 nan 0.000 0.217 197 P C 1.233 178.538 177.300 0.008 0.000 1.150 197 P CA 1.249 64.362 63.100 0.021 0.000 0.832 197 P CB 0.224 31.933 31.700 0.015 0.000 0.787 198 S N 0.015 115.719 115.700 0.005 0.000 2.353 198 S HA -0.190 3.804 4.470 -0.794 0.000 0.222 198 S C 1.931 176.530 174.600 -0.002 0.000 1.035 198 S CA 1.326 59.524 58.200 -0.002 0.000 1.025 198 S CB -1.746 61.453 63.200 -0.003 0.000 0.902 198 S HN 0.031 nan 8.310 nan 0.000 0.440 199 L N 2.272 123.500 121.223 0.008 0.000 2.083 199 L HA 0.177 4.041 4.340 -0.794 0.000 0.209 199 L C 2.597 179.475 176.870 0.013 0.000 1.083 199 L CA 1.726 56.572 54.840 0.009 0.000 0.752 199 L CB -1.185 40.885 42.059 0.018 0.000 0.899 199 L HN 0.371 nan 8.230 nan 0.000 0.433 200 A N -1.909 120.928 122.820 0.029 0.000 2.067 200 A HA -0.146 3.697 4.320 -0.794 0.000 0.219 200 A C 2.482 180.059 177.584 -0.012 0.000 1.158 200 A CA 1.582 53.649 52.037 0.050 0.000 0.661 200 A CB -0.783 18.272 19.000 0.092 0.000 0.801 200 A HN 0.516 nan 8.150 nan 0.000 0.452 201 S N -0.932 114.745 115.700 -0.037 0.000 2.362 201 S HA -0.102 3.891 4.470 -0.794 0.000 0.221 201 S C 2.232 176.793 174.600 -0.065 0.000 1.032 201 S CA 0.893 59.047 58.200 -0.077 0.000 0.973 201 S CB -0.362 62.803 63.200 -0.059 0.000 0.849 201 S HN 0.581 nan 8.310 nan 0.000 0.465 202 R N 0.281 120.759 120.500 -0.037 0.000 2.105 202 R HA -0.054 3.810 4.340 -0.794 0.000 0.239 202 R C 1.728 178.008 176.300 -0.033 0.000 1.135 202 R CA 1.139 57.222 56.100 -0.029 0.000 0.967 202 R CB -0.491 29.798 30.300 -0.017 0.000 0.861 202 R HN 0.349 nan 8.270 nan 0.000 0.442 203 L N 0.587 121.790 121.223 -0.032 0.000 2.362 203 L HA -0.021 3.843 4.340 -0.794 0.000 0.219 203 L C 0.831 177.673 176.870 -0.047 0.000 1.134 203 L CA 1.235 56.053 54.840 -0.036 0.000 0.807 203 L CB -0.616 41.431 42.059 -0.020 0.000 0.927 203 L HN 0.037 nan 8.230 nan 0.000 0.447 204 R N 0.199 120.658 120.500 -0.068 0.000 2.500 204 R HA 0.177 4.041 4.340 -0.794 0.000 0.275 204 R C 0.181 176.446 176.300 -0.058 0.000 1.051 204 R CA -0.587 55.458 56.100 -0.091 0.000 1.088 204 R CB 0.427 30.598 30.300 -0.214 0.000 1.063 204 R HN -0.114 nan 8.270 nan 0.000 0.511 205 N N 2.806 121.487 118.700 -0.031 0.000 2.645 205 N HA 0.080 4.344 4.740 -0.794 0.000 0.233 205 N C -0.171 175.329 175.510 -0.016 0.000 1.058 205 N CA -0.062 52.983 53.050 -0.009 0.000 0.942 205 N CB 0.377 38.877 38.487 0.021 0.000 1.210 205 N HN 0.554 nan 8.380 nan 0.000 0.512 206 L N 1.482 122.687 121.223 -0.029 0.000 2.653 206 L HA 0.163 4.027 4.340 -0.794 0.000 0.232 206 L C 1.445 178.308 176.870 -0.012 0.000 1.169 206 L CA -0.035 54.786 54.840 -0.033 0.000 0.951 206 L CB -0.024 42.004 42.059 -0.052 0.000 1.181 206 L HN 0.385 nan 8.230 nan 0.000 0.460 207 S N -0.577 115.123 115.700 0.001 0.000 2.371 207 S HA -0.015 3.979 4.470 -0.794 0.000 0.221 207 S C 1.037 175.646 174.600 0.015 0.000 1.036 207 S CA 0.559 58.765 58.200 0.010 0.000 0.965 207 S CB 0.154 63.365 63.200 0.017 0.000 0.845 207 S HN 0.541 nan 8.310 nan 0.000 0.475 208 S N 2.214 117.926 115.700 0.021 0.000 2.475 208 S HA 0.448 4.442 4.470 -0.794 0.000 0.298 208 S C -2.886 171.731 174.600 0.028 0.000 1.119 208 S CA -1.538 56.678 58.200 0.027 0.000 1.085 208 S CB 1.387 64.607 63.200 0.034 0.000 1.028 208 S HN 0.065 nan 8.310 nan 0.000 0.489 209 P HA 0.263 nan 4.420 nan 0.000 0.225 209 P C -0.326 177.005 177.300 0.052 0.000 1.768 209 P CA -0.181 62.941 63.100 0.036 0.000 0.943 209 P CB -0.493 31.229 31.700 0.036 0.000 1.936 210 L N -0.728 120.530 121.223 0.058 0.000 3.016 210 L HA 0.369 4.233 4.340 -0.794 0.000 0.267 210 L C 1.422 178.349 176.870 0.095 0.000 1.182 210 L CA 0.007 54.888 54.840 0.068 0.000 0.997 210 L CB -0.147 41.945 42.059 0.056 0.000 1.354 210 L HN 0.216 nan 8.230 nan 0.000 0.569 211 G N 1.349 110.216 108.800 0.111 0.000 2.258 211 G HA2 -0.280 3.204 3.960 -0.794 0.000 0.274 211 G HA3 -0.280 3.204 3.960 -0.794 0.000 0.274 211 G C 0.158 175.244 174.900 0.310 0.000 1.021 211 G CA 0.308 45.523 45.100 0.192 0.000 0.798 211 G HN 0.266 nan 8.290 nan 0.000 0.507 212 L N -0.498 120.854 121.223 0.215 0.000 2.439 212 L HA 0.620 4.484 4.340 -0.794 0.000 0.259 212 L C 1.047 178.035 176.870 0.197 0.000 1.129 212 L CA -1.004 53.985 54.840 0.249 0.000 0.803 212 L CB 0.771 42.914 42.059 0.141 0.000 1.161 212 L HN 0.042 nan 8.230 nan 0.000 0.462 213 M N 1.338 121.033 119.600 0.158 0.000 2.264 213 M HA 0.314 4.317 4.480 -0.794 0.000 0.352 213 M C 0.078 176.376 176.300 -0.004 0.000 1.173 213 M CA -0.675 54.631 55.300 0.010 0.000 1.075 213 M CB 1.398 33.932 32.600 -0.110 0.000 1.621 213 M HN 0.669 nan 8.290 nan 0.000 0.457 214 A N 3.512 126.314 122.820 -0.029 0.000 2.580 214 A HA 0.330 4.173 4.320 -0.794 0.000 0.244 214 A C 0.188 177.724 177.584 -0.079 0.000 1.045 214 A CA -0.171 51.843 52.037 -0.039 0.000 0.761 214 A CB -0.381 18.593 19.000 -0.043 0.000 0.962 214 A HN 0.806 nan 8.150 nan 0.000 0.512 215 V N 1.663 121.525 119.914 -0.087 0.000 3.046 215 V HA 0.526 4.169 4.120 -0.794 0.000 0.316 215 V C 0.329 176.279 176.094 -0.241 0.000 1.104 215 V CA -1.474 60.711 62.300 -0.193 0.000 1.006 215 V CB 1.686 33.375 31.823 -0.223 0.000 1.058 215 V HN 0.843 nan 8.190 nan 0.000 0.440 216 N N 2.068 120.527 118.700 -0.401 0.000 2.412 216 N HA 0.058 4.322 4.740 -0.794 0.000 0.258 216 N C 0.333 175.614 175.510 -0.383 0.000 1.236 216 N CA 0.252 53.053 53.050 -0.414 0.000 0.882 216 N CB 1.144 39.311 38.487 -0.533 0.000 1.066 216 N HN 0.759 nan 8.380 nan 0.000 0.465 217 Q N 2.051 121.793 119.800 -0.098 0.000 2.247 217 Q HA 0.082 3.945 4.340 -0.794 0.000 0.211 217 Q C 0.321 176.430 176.000 0.182 0.000 0.861 217 Q CA 0.309 56.182 55.803 0.116 0.000 0.949 217 Q CB 0.616 29.432 28.738 0.130 0.000 1.115 217 Q HN 0.608 nan 8.270 nan 0.000 0.507 218 E N 0.090 120.356 120.200 0.110 0.000 2.413 218 E HA 0.285 4.159 4.350 -0.794 0.000 0.203 218 E C -0.355 176.372 176.600 0.212 0.000 0.957 218 E CA 0.237 56.754 56.400 0.196 0.000 0.950 218 E CB 1.022 30.880 29.700 0.263 0.000 0.957 218 E HN 0.181 nan 8.360 nan 0.000 0.497 219 A N -0.247 122.626 122.820 0.089 0.000 2.515 219 A HA 0.674 4.517 4.320 -0.794 0.000 0.298 219 A C -1.875 175.675 177.584 -0.057 0.000 1.059 219 A CA -0.669 51.473 52.037 0.175 0.000 0.698 219 A CB 0.779 19.943 19.000 0.273 0.000 1.289 219 A HN 0.136 nan 8.150 nan 0.000 0.404 220 W N 0.010 121.377 121.300 0.113 0.000 2.962 220 W HA 0.571 4.757 4.660 -0.791 0.000 0.341 220 W C -0.858 175.511 176.519 -0.249 0.000 1.155 220 W CA -0.012 57.273 57.345 -0.100 0.000 1.165 220 W CB 1.984 31.397 29.460 -0.077 0.000 1.435 220 W HN 0.648 nan 8.180 nan 0.000 0.546 221 D N 0.954 121.208 120.400 -0.244 0.000 2.460 221 D HA 0.183 4.346 4.640 -0.794 0.000 0.268 221 D C -0.013 176.278 176.300 -0.016 0.000 1.153 221 D CA -0.052 53.768 54.000 -0.301 0.000 0.929 221 D CB -0.422 39.969 40.800 -0.682 0.000 1.015 221 D HN 0.513 nan 8.370 nan 0.000 0.502 222 H N 1.942 121.062 119.070 0.082 0.000 2.756 222 H HA -0.173 3.906 4.556 -0.795 0.000 0.315 222 H C 1.277 176.693 175.328 0.146 0.000 1.210 222 H CA 1.068 57.194 56.048 0.130 0.000 1.150 222 H CB -1.387 28.508 29.762 0.223 0.000 1.463 222 H HN 0.750 nan 8.280 nan 0.000 0.427 223 G N -0.745 108.145 108.800 0.148 0.000 2.184 223 G HA2 -0.334 3.150 3.960 -0.794 0.000 0.264 223 G HA3 -0.334 3.150 3.960 -0.794 0.000 0.264 223 G C 0.418 175.433 174.900 0.191 0.000 0.975 223 G CA 0.575 45.724 45.100 0.082 0.000 0.642 223 G HN 0.469 nan 8.290 nan 0.000 0.536 224 L N 0.378 121.703 121.223 0.171 0.000 2.375 224 L HA 0.763 4.627 4.340 -0.794 0.000 0.268 224 L C 1.102 177.972 176.870 -0.000 0.000 1.058 224 L CA -0.548 54.323 54.840 0.052 0.000 0.803 224 L CB 1.427 43.408 42.059 -0.130 0.000 1.212 224 L HN 0.264 nan 8.230 nan 0.000 0.451 225 A N 1.594 124.350 122.820 -0.107 0.000 2.296 225 A HA 0.531 4.374 4.320 -0.794 0.000 0.264 225 A C -1.126 176.162 177.584 -0.492 0.000 1.097 225 A CA 0.021 51.845 52.037 -0.355 0.000 0.811 225 A CB 0.393 19.258 19.000 -0.225 0.000 1.072 225 A HN 0.641 nan 8.150 nan 0.000 0.495 226 Y N -0.237 119.726 120.300 -0.561 0.000 2.492 226 Y HA 0.386 4.458 4.550 -0.796 0.000 0.346 226 Y C -2.091 173.409 175.900 -0.668 0.000 0.997 226 Y CA -2.361 55.368 58.100 -0.618 0.000 1.025 226 Y CB 2.735 40.834 38.460 -0.602 0.000 1.263 226 Y HN 0.519 nan 8.280 nan 0.000 0.454 227 P HA 0.059 nan 4.420 nan 0.000 0.271 227 P C -2.776 174.252 177.300 -0.453 0.000 1.233 227 P CA -1.335 61.468 63.100 -0.495 0.000 0.789 227 P CB 0.077 31.474 31.700 -0.506 0.000 0.951 228 P HA 0.196 nan 4.420 nan 0.000 0.274 228 P C -0.382 176.869 177.300 -0.082 0.000 1.231 228 P CA -0.032 62.945 63.100 -0.205 0.000 0.790 228 P CB 0.145 31.788 31.700 -0.096 0.000 0.951 229 F N 0.840 120.843 119.950 0.088 0.000 2.506 229 F HA 0.154 4.203 4.527 -0.796 0.000 0.351 229 F C 1.435 177.252 175.800 0.029 0.000 1.136 229 F CA 0.235 58.276 58.000 0.069 0.000 1.298 229 F CB -0.245 38.761 39.000 0.009 0.000 1.145 229 F HN 0.268 nan 8.300 nan 0.000 0.593 230 N N 1.766 120.606 118.700 0.232 0.000 2.444 230 N HA 0.139 4.402 4.740 -0.794 0.000 0.271 230 N C 0.072 175.633 175.510 0.086 0.000 1.069 230 N CA -0.119 53.000 53.050 0.114 0.000 0.965 230 N CB 0.375 38.907 38.487 0.076 0.000 1.092 230 N HN 0.364 nan 8.380 nan 0.000 0.476 231 N N 1.975 120.710 118.700 0.058 0.000 2.270 231 N HA 0.022 4.285 4.740 -0.794 0.000 0.198 231 N C -0.388 175.127 175.510 0.010 0.000 1.117 231 N CA -0.074 52.996 53.050 0.034 0.000 0.845 231 N CB 0.142 38.651 38.487 0.037 0.000 0.980 231 N HN 0.375 nan 8.380 nan 0.000 0.486 232 V N 1.208 121.125 119.914 0.004 0.000 2.673 232 V HA 0.064 3.707 4.120 -0.794 0.000 0.303 232 V C -0.140 175.944 176.094 -0.017 0.000 1.046 232 V CA 0.239 62.532 62.300 -0.012 0.000 1.126 232 V CB 0.310 32.120 31.823 -0.020 0.000 0.934 232 V HN 0.076 nan 8.190 nan 0.000 0.487 233 K N 6.820 127.206 120.400 -0.022 0.000 2.427 233 K HA 0.564 4.407 4.320 -0.794 0.000 0.252 233 K C -2.407 174.173 176.600 -0.033 0.000 0.931 233 K CA -1.491 54.782 56.287 -0.023 0.000 0.793 233 K CB 1.828 34.319 32.500 -0.014 0.000 1.211 233 K HN 0.707 nan 8.250 nan 0.000 0.426 234 P HA 0.067 nan 4.420 nan 0.000 0.271 234 P C -0.878 176.399 177.300 -0.039 0.000 1.218 234 P CA -0.360 62.720 63.100 -0.034 0.000 0.780 234 P CB 1.251 32.916 31.700 -0.057 0.000 0.901 235 S N 1.867 117.562 115.700 -0.009 0.000 2.478 235 S HA 0.454 4.448 4.470 -0.794 0.000 0.312 235 S C -1.809 172.811 174.600 0.033 0.000 1.094 235 S CA -1.592 56.605 58.200 -0.005 0.000 1.081 235 S CB 1.285 64.484 63.200 -0.003 0.000 1.007 235 S HN 0.125 nan 8.310 nan 0.000 0.475 236 P HA -0.031 nan 4.420 nan 0.000 0.215 236 P C 1.257 178.653 177.300 0.160 0.000 1.157 236 P CA 1.107 64.229 63.100 0.037 0.000 0.868 236 P CB -0.058 31.478 31.700 -0.273 0.000 0.788 237 c N -0.531 118.149 118.600 0.133 0.000 2.410 237 c HA -0.109 3.984 4.570 -0.794 0.000 0.281 237 c C 2.493 176.642 174.090 0.098 0.000 1.318 237 c CA 0.792 57.201 56.329 0.134 0.000 1.776 237 c CB -1.622 40.926 42.510 0.063 0.000 1.942 237 c HN 0.365 nan 8.230 nan 0.000 0.508 238 E N -0.122 120.128 120.200 0.082 0.000 2.051 238 E HA -0.141 3.732 4.350 -0.794 0.000 0.189 238 E C 1.847 178.508 176.600 0.101 0.000 0.979 238 E CA 0.862 57.299 56.400 0.062 0.000 0.803 238 E CB -0.358 29.372 29.700 0.049 0.000 0.761 238 E HN 0.676 nan 8.360 nan 0.000 0.451 239 F N 2.432 122.395 119.950 0.022 0.000 2.147 239 F HA -0.227 3.823 4.527 -0.796 0.000 0.301 239 F C 2.062 177.882 175.800 0.033 0.000 1.084 239 F CA 1.536 59.565 58.000 0.048 0.000 1.268 239 F CB -0.168 38.901 39.000 0.117 0.000 1.009 239 F HN 0.026 nan 8.300 nan 0.000 0.486 240 I N -1.426 119.133 120.570 -0.018 0.000 3.176 240 I HA 0.041 3.734 4.170 -0.794 0.000 0.275 240 I C 0.084 176.135 176.117 -0.110 0.000 1.298 240 I CA 0.884 62.118 61.300 -0.110 0.000 1.445 240 I CB -0.584 37.410 38.000 -0.008 0.000 1.075 240 I HN 0.248 nan 8.210 nan 0.000 0.482 241 N N -0.021 118.589 118.700 -0.149 0.000 3.151 241 N HA 0.046 4.309 4.740 -0.794 0.000 0.219 241 N C 0.260 175.637 175.510 -0.221 0.000 1.434 241 N CA 0.253 53.148 53.050 -0.259 0.000 0.767 241 N CB 0.395 38.569 38.487 -0.521 0.000 1.564 241 N HN 0.035 nan 8.380 nan 0.000 0.612 242 T N -0.059 114.386 114.554 -0.182 0.000 2.897 242 T HA -0.085 3.789 4.350 -0.794 0.000 0.271 242 T C 1.484 176.120 174.700 -0.107 0.000 1.084 242 T CA 1.880 63.911 62.100 -0.115 0.000 1.123 242 T CB 0.106 68.908 68.868 -0.110 0.000 0.865 242 T HN 0.450 nan 8.240 nan 0.000 0.496 243 T N 1.750 116.211 114.554 -0.155 0.000 2.812 243 T HA 0.092 3.965 4.350 -0.794 0.000 0.264 243 T C 2.440 177.112 174.700 -0.047 0.000 1.042 243 T CA 0.970 62.993 62.100 -0.129 0.000 1.140 243 T CB -0.369 68.394 68.868 -0.174 0.000 0.870 243 T HN 0.449 nan 8.240 nan 0.000 0.445 244 A N 2.092 124.819 122.820 -0.156 0.000 2.014 244 A HA -0.042 3.802 4.320 -0.794 0.000 0.218 244 A C 1.065 178.612 177.584 -0.061 0.000 1.163 244 A CA 1.042 52.995 52.037 -0.140 0.000 0.652 244 A CB -0.938 17.856 19.000 -0.343 0.000 0.808 244 A HN 0.815 nan 8.150 nan 0.000 0.449 245 H N -0.860 118.109 119.070 -0.169 0.000 2.315 245 H HA -0.130 3.949 4.556 -0.794 0.000 0.324 245 H C -1.131 174.081 175.328 -0.194 0.000 0.996 245 H CA 0.617 56.576 56.048 -0.148 0.000 1.090 245 H CB -2.753 26.935 29.762 -0.123 0.000 1.580 245 H HN 0.212 nan 8.280 nan 0.000 0.374 246 V N 2.772 122.533 119.914 -0.256 0.000 2.350 246 V HA 0.313 3.956 4.120 -0.794 0.000 0.276 246 V C -1.759 174.136 176.094 -0.331 0.000 1.028 246 V CA -1.419 60.654 62.300 -0.379 0.000 0.860 246 V CB 1.546 33.275 31.823 -0.157 0.000 0.990 246 V HN 0.323 nan 8.190 nan 0.000 0.453 247 P HA 0.273 nan 4.420 nan 0.000 0.275 247 P C -0.203 177.023 177.300 -0.124 0.000 1.266 247 P CA -0.569 62.368 63.100 -0.272 0.000 0.793 247 P CB 0.496 32.020 31.700 -0.294 0.000 1.074 248 c N 0.105 118.688 118.600 -0.029 0.000 2.656 248 c HA 0.261 4.354 4.570 -0.794 0.000 0.391 248 c C 0.597 174.704 174.090 0.028 0.000 1.300 248 c CA 0.043 56.346 56.329 -0.043 0.000 2.302 248 c CB -1.256 41.293 42.510 0.065 0.000 2.655 248 c HN 0.365 nan 8.230 nan 0.000 0.656 249 F N 0.847 120.838 119.950 0.068 0.000 2.382 249 F HA 0.367 4.413 4.527 -0.801 0.000 0.331 249 F C 0.526 176.284 175.800 -0.071 0.000 1.121 249 F CA -0.228 57.744 58.000 -0.046 0.000 1.183 249 F CB 0.412 39.323 39.000 -0.148 0.000 1.207 249 F HN 0.523 nan 8.300 nan 0.000 0.555 250 Q N 1.791 121.673 119.800 0.137 0.000 2.325 250 Q HA 0.697 4.561 4.340 -0.794 0.000 0.262 250 Q C -1.365 174.599 176.000 -0.061 0.000 0.968 250 Q CA -0.477 55.339 55.803 0.021 0.000 0.877 250 Q CB 1.310 30.063 28.738 0.025 0.000 1.253 250 Q HN 0.838 nan 8.270 nan 0.000 0.448 251 A N 2.408 125.167 122.820 -0.103 0.000 2.552 251 A HA 0.685 4.529 4.320 -0.794 0.000 0.288 251 A C 0.657 178.192 177.584 -0.082 0.000 1.193 251 A CA -0.203 51.752 52.037 -0.138 0.000 0.713 251 A CB 0.605 19.412 19.000 -0.322 0.000 1.305 251 A HN 0.841 nan 8.150 nan 0.000 0.424 252 G N -0.788 107.987 108.800 -0.042 0.000 2.475 252 G HA2 0.045 3.528 3.960 -0.794 0.000 0.220 252 G HA3 0.045 3.528 3.960 -0.794 0.000 0.220 252 G C 0.315 175.212 174.900 -0.005 0.000 1.125 252 G CA 1.696 46.793 45.100 -0.004 0.000 0.755 252 G HN 0.864 nan 8.290 nan 0.000 0.565 253 D N -1.977 118.407 120.400 -0.026 0.000 2.340 253 D HA 0.442 4.606 4.640 -0.794 0.000 0.240 253 D C 1.410 177.605 176.300 -0.175 0.000 1.001 253 D CA -0.033 53.905 54.000 -0.103 0.000 0.888 253 D CB 1.672 42.428 40.800 -0.075 0.000 1.310 253 D HN -0.038 nan 8.370 nan 0.000 0.474 254 S N 1.782 117.327 115.700 -0.258 0.000 2.562 254 S HA 0.031 4.025 4.470 -0.794 0.000 0.221 254 S C 1.280 175.762 174.600 -0.197 0.000 0.975 254 S CA 0.089 58.172 58.200 -0.195 0.000 0.918 254 S CB -0.011 63.112 63.200 -0.128 0.000 0.772 254 S HN 0.447 nan 8.310 nan 0.000 0.531 255 R N 0.968 121.287 120.500 -0.303 0.000 2.317 255 R HA 0.494 4.357 4.340 -0.794 0.000 0.208 255 R C 2.243 178.487 176.300 -0.093 0.000 0.914 255 R CA 0.596 56.572 56.100 -0.207 0.000 1.060 255 R CB -0.622 29.433 30.300 -0.409 0.000 1.015 255 R HN 0.442 nan 8.270 nan 0.000 0.498 256 A N 0.517 123.248 122.820 -0.149 0.000 1.985 256 A HA -0.252 3.591 4.320 -0.794 0.000 0.223 256 A C 1.814 179.347 177.584 -0.084 0.000 1.189 256 A CA 2.249 54.133 52.037 -0.255 0.000 0.658 256 A CB -0.430 18.155 19.000 -0.691 0.000 0.820 256 A HN 0.274 nan 8.150 nan 0.000 0.464 257 S N -1.173 114.489 115.700 -0.063 0.000 2.556 257 S HA 0.042 4.035 4.470 -0.794 0.000 0.216 257 S C 1.559 175.900 174.600 -0.431 0.000 0.970 257 S CA 0.282 58.428 58.200 -0.089 0.000 0.912 257 S CB 0.055 63.279 63.200 0.040 0.000 0.790 257 S HN 0.630 nan 8.310 nan 0.000 0.504 258 E N 1.928 121.750 120.200 -0.629 0.000 2.169 258 E HA -0.228 3.645 4.350 -0.794 0.000 0.202 258 E C 0.430 176.671 176.600 -0.599 0.000 1.016 258 E CA 1.479 57.220 56.400 -1.098 0.000 0.817 258 E CB 0.093 29.529 29.700 -0.439 0.000 0.736 258 E HN 0.751 nan 8.360 nan 0.000 0.462 259 Q N -1.758 117.904 119.800 -0.231 0.000 2.391 259 Q HA 0.245 4.108 4.340 -0.794 0.000 0.279 259 Q C 0.603 176.572 176.000 -0.051 0.000 1.028 259 Q CA -0.545 55.233 55.803 -0.040 0.000 0.836 259 Q CB 0.694 29.495 28.738 0.105 0.000 1.414 259 Q HN -0.125 nan 8.270 nan 0.000 0.397 260 I N 1.202 121.733 120.570 -0.065 0.000 2.194 260 I HA -0.215 3.479 4.170 -0.794 0.000 0.246 260 I C 1.052 177.162 176.117 -0.011 0.000 1.093 260 I CA 1.592 62.856 61.300 -0.060 0.000 1.355 260 I CB -0.336 37.592 38.000 -0.119 0.000 1.046 260 I HN 0.886 nan 8.210 nan 0.000 0.413 261 L N -0.185 121.034 121.223 -0.006 0.000 2.141 261 L HA -0.164 3.700 4.340 -0.794 0.000 0.209 261 L C 2.349 179.246 176.870 0.045 0.000 1.094 261 L CA 1.278 56.131 54.840 0.021 0.000 0.763 261 L CB -1.642 40.431 42.059 0.024 0.000 0.908 261 L HN 0.253 nan 8.230 nan 0.000 0.437 262 L N -0.135 121.110 121.223 0.036 0.000 2.056 262 L HA -0.089 3.775 4.340 -0.794 0.000 0.207 262 L C 2.515 179.483 176.870 0.163 0.000 1.078 262 L CA 1.962 56.840 54.840 0.064 0.000 0.749 262 L CB -0.899 41.184 42.059 0.042 0.000 0.901 262 L HN 0.166 nan 8.230 nan 0.000 0.433 263 A N -1.337 121.566 122.820 0.139 0.000 1.908 263 A HA -0.216 3.627 4.320 -0.794 0.000 0.218 263 A C 2.244 179.925 177.584 0.161 0.000 1.181 263 A CA 2.352 54.506 52.037 0.194 0.000 0.627 263 A CB -1.307 17.836 19.000 0.239 0.000 0.818 263 A HN 0.526 nan 8.150 nan 0.000 0.445 264 T N -0.090 114.533 114.554 0.114 0.000 2.607 264 T HA -0.176 3.697 4.350 -0.794 0.000 0.267 264 T C 1.816 176.567 174.700 0.085 0.000 1.049 264 T CA 1.959 64.109 62.100 0.082 0.000 1.162 264 T CB -0.605 68.300 68.868 0.061 0.000 0.863 264 T HN 0.171 nan 8.240 nan 0.000 0.424 265 V N 0.973 120.955 119.914 0.113 0.000 2.759 265 V HA -0.147 3.496 4.120 -0.794 0.000 0.256 265 V C 2.342 178.471 176.094 0.058 0.000 1.080 265 V CA 1.309 63.692 62.300 0.139 0.000 1.101 265 V CB -0.762 31.192 31.823 0.217 0.000 0.698 265 V HN 0.585 nan 8.190 nan 0.000 0.477 266 H N 0.573 119.647 119.070 0.008 0.000 2.389 266 H HA -0.108 3.968 4.556 -0.800 0.000 0.299 266 H C 2.444 177.708 175.328 -0.106 0.000 1.081 266 H CA 2.070 58.090 56.048 -0.048 0.000 1.345 266 H CB -0.055 29.675 29.762 -0.054 0.000 1.393 266 H HN 0.444 nan 8.280 nan 0.000 0.520 267 T N 1.283 115.837 114.554 0.001 0.000 2.737 267 T HA -0.096 3.777 4.350 -0.794 0.000 0.265 267 T C 2.226 176.868 174.700 -0.095 0.000 1.038 267 T CA 0.461 62.500 62.100 -0.102 0.000 1.144 267 T CB -0.266 68.536 68.868 -0.109 0.000 0.866 267 T HN 0.029 nan 8.240 nan 0.000 0.434 268 L N 1.067 122.250 121.223 -0.067 0.000 2.013 268 L HA -0.056 3.807 4.340 -0.794 0.000 0.212 268 L C 2.373 179.167 176.870 -0.127 0.000 1.073 268 L CA 1.511 56.285 54.840 -0.110 0.000 0.753 268 L CB -1.226 40.778 42.059 -0.092 0.000 0.890 268 L HN 0.297 nan 8.230 nan 0.000 0.432 269 L N -1.827 119.349 121.223 -0.079 0.000 2.093 269 L HA -0.204 3.659 4.340 -0.794 0.000 0.208 269 L C 2.449 179.256 176.870 -0.104 0.000 1.085 269 L CA 0.503 55.288 54.840 -0.090 0.000 0.755 269 L CB -0.529 41.490 42.059 -0.066 0.000 0.904 269 L HN 0.261 nan 8.230 nan 0.000 0.435 270 L N 0.030 121.189 121.223 -0.106 0.000 2.083 270 L HA -0.171 3.692 4.340 -0.794 0.000 0.209 270 L C 2.706 179.538 176.870 -0.065 0.000 1.083 270 L CA 1.698 56.474 54.840 -0.107 0.000 0.752 270 L CB -0.420 41.554 42.059 -0.141 0.000 0.899 270 L HN 0.086 nan 8.230 nan 0.000 0.433 271 R N -0.947 119.494 120.500 -0.098 0.000 2.093 271 R HA -0.129 3.734 4.340 -0.794 0.000 0.224 271 R C 2.108 178.348 176.300 -0.099 0.000 1.101 271 R CA 1.025 57.067 56.100 -0.098 0.000 0.979 271 R CB -0.223 29.996 30.300 -0.136 0.000 0.877 271 R HN 0.281 nan 8.270 nan 0.000 0.441 272 E N 0.285 120.402 120.200 -0.138 0.000 2.204 272 E HA -0.209 3.664 4.350 -0.794 0.000 0.195 272 E C 1.601 178.128 176.600 -0.122 0.000 0.990 272 E CA 1.459 57.748 56.400 -0.185 0.000 0.821 272 E CB -0.073 29.446 29.700 -0.302 0.000 0.750 272 E HN 0.432 nan 8.360 nan 0.000 0.477 273 H N -0.095 118.910 119.070 -0.108 0.000 2.261 273 H HA 0.003 4.083 4.556 -0.795 0.000 0.301 273 H C 1.741 177.053 175.328 -0.028 0.000 1.067 273 H CA 2.155 58.182 56.048 -0.034 0.000 1.297 273 H CB -0.196 29.587 29.762 0.036 0.000 1.377 273 H HN 0.097 nan 8.280 nan 0.000 0.492 274 N N 0.596 119.359 118.700 0.105 0.000 2.137 274 N HA -0.178 4.085 4.740 -0.794 0.000 0.190 274 N C 2.048 177.516 175.510 -0.069 0.000 1.017 274 N CA 1.047 54.126 53.050 0.049 0.000 0.859 274 N CB -0.394 38.147 38.487 0.090 0.000 1.002 274 N HN 0.396 nan 8.380 nan 0.000 0.428 275 R N 0.320 120.764 120.500 -0.093 0.000 2.080 275 R HA -0.106 3.757 4.340 -0.794 0.000 0.236 275 R C 1.762 177.969 176.300 -0.155 0.000 1.137 275 R CA 1.115 57.145 56.100 -0.117 0.000 0.943 275 R CB -0.308 29.910 30.300 -0.137 0.000 0.846 275 R HN 0.088 nan 8.270 nan 0.000 0.431 276 L N 0.520 121.615 121.223 -0.214 0.000 2.017 276 L HA -0.093 3.771 4.340 -0.794 0.000 0.208 276 L C 2.544 179.276 176.870 -0.231 0.000 1.073 276 L CA 2.028 56.717 54.840 -0.253 0.000 0.745 276 L CB -1.177 40.699 42.059 -0.305 0.000 0.894 276 L HN 0.244 nan 8.230 nan 0.000 0.432 277 A N 0.162 122.817 122.820 -0.275 0.000 1.940 277 A HA -0.231 3.612 4.320 -0.794 0.000 0.219 277 A C 2.340 179.878 177.584 -0.077 0.000 1.176 277 A CA 1.939 53.865 52.037 -0.184 0.000 0.631 277 A CB -0.484 18.394 19.000 -0.204 0.000 0.814 277 A HN 0.587 nan 8.150 nan 0.000 0.446 278 R N -1.674 118.779 120.500 -0.079 0.000 2.173 278 R HA 0.118 3.981 4.340 -0.794 0.000 0.208 278 R C 1.410 177.670 176.300 -0.066 0.000 1.035 278 R CA 0.801 56.871 56.100 -0.050 0.000 1.004 278 R CB -0.287 29.993 30.300 -0.034 0.000 0.917 278 R HN 0.231 nan 8.270 nan 0.000 0.462 279 E N 1.637 121.782 120.200 -0.092 0.000 2.153 279 E HA -0.069 3.804 4.350 -0.794 0.000 0.194 279 E C 2.020 178.556 176.600 -0.107 0.000 0.988 279 E CA 0.907 57.247 56.400 -0.100 0.000 0.811 279 E CB -0.039 29.587 29.700 -0.124 0.000 0.746 279 E HN 0.413 nan 8.360 nan 0.000 0.466 280 L N 0.343 121.502 121.223 -0.107 0.000 2.313 280 L HA -0.094 3.769 4.340 -0.794 0.000 0.214 280 L C 2.347 179.140 176.870 -0.128 0.000 1.119 280 L CA 0.719 55.497 54.840 -0.103 0.000 0.809 280 L CB -0.175 41.885 42.059 0.003 0.000 0.933 280 L HN 0.028 nan 8.230 nan 0.000 0.449 281 K N 0.644 121.004 120.400 -0.067 0.000 2.116 281 K HA -0.122 3.722 4.320 -0.794 0.000 0.203 281 K C 2.182 178.724 176.600 -0.096 0.000 1.052 281 K CA 1.088 57.339 56.287 -0.061 0.000 0.952 281 K CB -0.097 32.399 32.500 -0.007 0.000 0.729 281 K HN -0.037 nan 8.250 nan 0.000 0.446 282 R N 0.152 120.602 120.500 -0.083 0.000 2.096 282 R HA -0.100 3.763 4.340 -0.794 0.000 0.240 282 R C 2.130 178.374 176.300 -0.094 0.000 1.139 282 R CA 1.984 58.042 56.100 -0.071 0.000 0.952 282 R CB -0.349 29.915 30.300 -0.061 0.000 0.854 282 R HN 0.263 nan 8.270 nan 0.000 0.436 283 L N -0.075 121.064 121.223 -0.139 0.000 2.131 283 L HA -0.052 3.811 4.340 -0.794 0.000 0.206 283 L C 0.322 177.039 176.870 -0.255 0.000 1.087 283 L CA 0.723 55.466 54.840 -0.161 0.000 0.767 283 L CB -0.078 41.889 42.059 -0.154 0.000 0.917 283 L HN 0.121 nan 8.230 nan 0.000 0.441 284 N N -0.210 118.224 118.700 -0.443 0.000 2.918 284 N HA 0.191 4.454 4.740 -0.794 0.000 0.270 284 N C -2.130 173.072 175.510 -0.514 0.000 1.536 284 N CA -1.032 51.577 53.050 -0.735 0.000 0.877 284 N CB 1.148 38.554 38.487 -1.803 0.000 1.190 284 N HN -0.062 nan 8.380 nan 0.000 0.492 285 P HA -0.146 nan 4.420 nan 0.000 0.221 285 P C 1.289 178.627 177.300 0.064 0.000 1.145 285 P CA 1.233 64.324 63.100 -0.016 0.000 0.795 285 P CB 0.060 31.787 31.700 0.045 0.000 0.775 286 H N -3.674 115.422 119.070 0.044 0.000 2.470 286 H HA -0.035 4.045 4.556 -0.794 0.000 0.289 286 H C 0.347 175.837 175.328 0.271 0.000 1.033 286 H CA -0.004 56.125 56.048 0.136 0.000 1.331 286 H CB -1.289 28.555 29.762 0.136 0.000 1.414 286 H HN 0.079 nan 8.280 nan 0.000 0.545 287 W N 4.856 125.980 121.300 -0.293 0.000 2.314 287 W HA 0.020 4.203 4.660 -0.795 0.000 0.339 287 W C 0.709 177.206 176.519 -0.037 0.000 1.293 287 W CA -0.291 56.962 57.345 -0.154 0.000 1.288 287 W CB 0.192 29.547 29.460 -0.175 0.000 1.186 287 W HN 0.332 nan 8.180 nan 0.000 0.566 288 D N 0.726 121.217 120.400 0.151 0.000 2.340 288 D HA 0.237 4.400 4.640 -0.794 0.000 0.251 288 D C 1.323 177.664 176.300 0.069 0.000 1.080 288 D CA -0.044 54.010 54.000 0.090 0.000 0.971 288 D CB 0.620 41.451 40.800 0.052 0.000 1.137 288 D HN 0.457 nan 8.370 nan 0.000 0.475 289 G N 0.584 109.419 108.800 0.058 0.000 2.574 289 G HA2 -0.421 3.062 3.960 -0.794 0.000 0.220 289 G HA3 -0.421 3.062 3.960 -0.794 0.000 0.220 289 G C 1.288 176.216 174.900 0.047 0.000 1.173 289 G CA 1.475 46.608 45.100 0.056 0.000 0.772 289 G HN 0.646 nan 8.290 nan 0.000 0.585 290 E N -0.055 120.148 120.200 0.006 0.000 2.114 290 E HA -0.156 3.717 4.350 -0.794 0.000 0.199 290 E C 2.433 179.001 176.600 -0.054 0.000 1.008 290 E CA 1.365 57.759 56.400 -0.010 0.000 0.810 290 E CB -0.372 29.310 29.700 -0.030 0.000 0.739 290 E HN 0.489 nan 8.360 nan 0.000 0.456 291 M N -0.697 118.838 119.600 -0.108 0.000 2.254 291 M HA -0.120 3.883 4.480 -0.794 0.000 0.265 291 M C 1.290 177.467 176.300 -0.205 0.000 1.066 291 M CA 0.675 55.815 55.300 -0.267 0.000 1.123 291 M CB 0.047 32.352 32.600 -0.492 0.000 1.388 291 M HN 0.200 nan 8.290 nan 0.000 0.425 292 L N -0.583 120.640 121.223 -0.000 0.000 1.976 292 L HA -0.238 3.625 4.340 -0.794 0.000 0.209 292 L C 2.379 179.270 176.870 0.035 0.000 1.071 292 L CA 2.017 56.914 54.840 0.096 0.000 0.746 292 L CB -2.078 40.061 42.059 0.134 0.000 0.890 292 L HN 0.348 nan 8.230 nan 0.000 0.432 293 Y N 1.012 121.293 120.300 -0.031 0.000 2.069 293 Y HA -0.332 3.741 4.550 -0.795 0.000 0.278 293 Y C 2.757 178.575 175.900 -0.136 0.000 1.175 293 Y CA 2.027 60.141 58.100 0.024 0.000 1.134 293 Y CB -0.204 38.253 38.460 -0.006 0.000 0.965 293 Y HN 0.267 nan 8.280 nan 0.000 0.498 294 Q N 0.107 119.677 119.800 -0.384 0.000 2.079 294 Q HA -0.166 3.698 4.340 -0.794 0.000 0.200 294 Q C 2.124 177.761 176.000 -0.604 0.000 0.974 294 Q CA 1.621 56.951 55.803 -0.788 0.000 0.840 294 Q CB -0.302 27.673 28.738 -1.273 0.000 0.898 294 Q HN 0.619 nan 8.270 nan 0.000 0.430 295 E N 0.425 120.432 120.200 -0.320 0.000 2.107 295 E HA -0.051 3.822 4.350 -0.794 0.000 0.191 295 E C 1.867 178.446 176.600 -0.035 0.000 0.982 295 E CA 0.889 57.287 56.400 -0.004 0.000 0.809 295 E CB -0.057 29.741 29.700 0.164 0.000 0.756 295 E HN 0.281 nan 8.360 nan 0.000 0.459 296 A N 1.569 124.297 122.820 -0.153 0.000 1.855 296 A HA -0.190 3.654 4.320 -0.794 0.000 0.215 296 A C 2.233 179.742 177.584 -0.125 0.000 1.191 296 A CA 1.704 53.613 52.037 -0.214 0.000 0.613 296 A CB -0.552 18.175 19.000 -0.454 0.000 0.829 296 A HN 0.153 nan 8.150 nan 0.000 0.442 297 R N -0.127 120.206 120.500 -0.279 0.000 2.117 297 R HA -0.198 3.665 4.340 -0.794 0.000 0.243 297 R C 2.214 178.394 176.300 -0.200 0.000 1.143 297 R CA 2.074 57.868 56.100 -0.509 0.000 0.968 297 R CB -0.235 29.328 30.300 -1.227 0.000 0.863 297 R HN 0.564 nan 8.270 nan 0.000 0.444 298 K N 0.257 120.609 120.400 -0.081 0.000 2.031 298 K HA -0.074 3.770 4.320 -0.794 0.000 0.205 298 K C 2.061 178.865 176.600 0.340 0.000 1.049 298 K CA 1.420 57.799 56.287 0.152 0.000 0.939 298 K CB -0.051 32.594 32.500 0.243 0.000 0.717 298 K HN 0.177 nan 8.250 nan 0.000 0.438 299 I N 1.145 121.869 120.570 0.257 0.000 2.179 299 I HA -0.295 3.399 4.170 -0.794 0.000 0.242 299 I C 2.326 178.518 176.117 0.126 0.000 1.088 299 I CA 0.672 62.068 61.300 0.160 0.000 1.357 299 I CB -0.279 37.643 38.000 -0.129 0.000 1.051 299 I HN 0.214 nan 8.210 nan 0.000 0.409 300 L N 1.295 122.589 121.223 0.118 0.000 2.012 300 L HA -0.139 3.725 4.340 -0.794 0.000 0.210 300 L C 2.385 179.431 176.870 0.294 0.000 1.073 300 L CA 2.350 57.300 54.840 0.183 0.000 0.748 300 L CB -1.387 40.812 42.059 0.235 0.000 0.891 300 L HN 0.228 nan 8.230 nan 0.000 0.431 301 G N -1.234 107.724 108.800 0.264 0.000 2.440 301 G HA2 -0.293 3.190 3.960 -0.794 0.000 0.218 301 G HA3 -0.293 3.190 3.960 -0.794 0.000 0.218 301 G C 1.634 176.652 174.900 0.196 0.000 1.154 301 G CA 1.008 46.259 45.100 0.251 0.000 0.767 301 G HN 0.671 nan 8.290 nan 0.000 0.552 302 A N 0.493 123.425 122.820 0.187 0.000 1.917 302 A HA -0.056 3.787 4.320 -0.794 0.000 0.219 302 A C 2.176 179.666 177.584 -0.157 0.000 1.182 302 A CA 1.795 53.834 52.037 0.003 0.000 0.633 302 A CB -0.612 18.374 19.000 -0.024 0.000 0.819 302 A HN 0.491 nan 8.150 nan 0.000 0.448 303 F N 0.872 120.755 119.950 -0.111 0.000 2.095 303 F HA -0.193 3.854 4.527 -0.799 0.000 0.298 303 F C 1.943 177.763 175.800 0.034 0.000 1.104 303 F CA 1.837 59.787 58.000 -0.085 0.000 1.232 303 F CB -0.085 38.902 39.000 -0.022 0.000 0.987 303 F HN 0.161 nan 8.300 nan 0.000 0.475 304 I N 0.450 121.137 120.570 0.195 0.000 2.394 304 I HA -0.246 3.448 4.170 -0.794 0.000 0.251 304 I C 2.177 178.439 176.117 0.241 0.000 1.136 304 I CA 1.280 62.767 61.300 0.311 0.000 1.425 304 I CB -1.500 36.723 38.000 0.372 0.000 1.079 304 I HN 0.406 nan 8.210 nan 0.000 0.425 305 Q N 0.520 120.366 119.800 0.078 0.000 2.049 305 Q HA -0.086 3.778 4.340 -0.794 0.000 0.198 305 Q C 2.447 178.462 176.000 0.025 0.000 0.971 305 Q CA 1.166 57.026 55.803 0.096 0.000 0.833 305 Q CB 0.024 28.572 28.738 -0.316 0.000 0.896 305 Q HN 0.429 nan 8.270 nan 0.000 0.434 306 I N 0.971 121.303 120.570 -0.397 0.000 2.127 306 I HA -0.310 3.383 4.170 -0.794 0.000 0.241 306 I C 2.213 178.228 176.117 -0.169 0.000 1.075 306 I CA 0.991 62.029 61.300 -0.438 0.000 1.334 306 I CB -0.381 37.182 38.000 -0.729 0.000 1.040 306 I HN 0.226 nan 8.210 nan 0.000 0.405 307 I N 0.549 120.946 120.570 -0.289 0.000 2.127 307 I HA -0.292 3.401 4.170 -0.794 0.000 0.241 307 I C 2.649 178.785 176.117 0.031 0.000 1.075 307 I CA 1.979 63.127 61.300 -0.254 0.000 1.334 307 I CB -1.818 35.785 38.000 -0.663 0.000 1.040 307 I HN 0.289 nan 8.210 nan 0.000 0.405 308 T N 1.087 115.810 114.554 0.283 0.000 2.652 308 T HA -0.183 3.690 4.350 -0.794 0.000 0.267 308 T C 1.755 176.579 174.700 0.208 0.000 1.039 308 T CA 1.664 64.010 62.100 0.411 0.000 1.153 308 T CB -0.393 68.766 68.868 0.485 0.000 0.863 308 T HN 0.114 nan 8.240 nan 0.000 0.428 309 F N 0.434 120.504 119.950 0.201 0.000 2.512 309 F HA 0.272 4.325 4.527 -0.790 0.000 0.296 309 F C 2.489 178.379 175.800 0.150 0.000 1.110 309 F CA 0.294 58.415 58.000 0.201 0.000 1.446 309 F CB -0.060 39.175 39.000 0.392 0.000 1.092 309 F HN -0.052 nan 8.300 nan 0.000 0.554 310 R N -0.181 120.478 120.500 0.264 0.000 2.123 310 R HA -0.012 3.851 4.340 -0.794 0.000 0.209 310 R C 1.033 177.395 176.300 0.102 0.000 1.078 310 R CA 1.220 57.426 56.100 0.176 0.000 1.028 310 R CB 0.080 30.460 30.300 0.133 0.000 0.939 310 R HN 0.076 nan 8.270 nan 0.000 0.463 311 D N -1.104 119.349 120.400 0.089 0.000 2.431 311 D HA -0.041 4.122 4.640 -0.794 0.000 0.227 311 D C 1.074 177.340 176.300 -0.056 0.000 1.030 311 D CA 0.543 54.604 54.000 0.102 0.000 0.897 311 D CB 0.082 41.041 40.800 0.266 0.000 1.058 311 D HN 0.157 nan 8.370 nan 0.000 0.500 312 Y N 1.525 121.655 120.300 -0.284 0.000 2.222 312 Y HA 0.143 4.223 4.550 -0.783 0.000 0.290 312 Y C 2.111 177.904 175.900 -0.178 0.000 1.123 312 Y CA 0.792 58.651 58.100 -0.402 0.000 1.120 312 Y CB -0.463 37.824 38.460 -0.288 0.000 1.060 312 Y HN -0.244 nan 8.280 nan 0.000 0.508 313 L N 0.687 121.761 121.223 -0.247 0.000 2.081 313 L HA -0.192 3.671 4.340 -0.794 0.000 0.212 313 L C -0.685 176.030 176.870 -0.259 0.000 1.080 313 L CA 1.540 56.148 54.840 -0.387 0.000 0.754 313 L CB -1.752 40.001 42.059 -0.511 0.000 0.893 313 L HN 0.264 nan 8.230 nan 0.000 0.433 314 P HA -0.150 nan 4.420 nan 0.000 0.220 314 P C 1.533 178.758 177.300 -0.125 0.000 1.148 314 P CA 1.319 64.361 63.100 -0.097 0.000 0.803 314 P CB -0.066 31.605 31.700 -0.048 0.000 0.782 315 I N -5.699 114.765 120.570 -0.177 0.000 3.883 315 I HA 0.092 3.786 4.170 -0.794 0.000 0.326 315 I C 1.169 177.174 176.117 -0.186 0.000 1.283 315 I CA 0.205 61.383 61.300 -0.203 0.000 1.161 315 I CB -0.130 37.703 38.000 -0.278 0.000 1.012 315 I HN -0.251 nan 8.210 nan 0.000 0.421 316 V N 0.591 120.383 119.914 -0.203 0.000 2.484 316 V HA -0.005 3.638 4.120 -0.794 0.000 0.236 316 V C 2.204 178.184 176.094 -0.190 0.000 1.062 316 V CA 0.851 63.034 62.300 -0.195 0.000 1.081 316 V CB -0.186 31.405 31.823 -0.388 0.000 0.751 316 V HN 0.273 nan 8.190 nan 0.000 0.484 317 L N 0.431 121.555 121.223 -0.165 0.000 2.109 317 L HA 0.260 4.124 4.340 -0.794 0.000 0.207 317 L C 1.640 178.485 176.870 -0.042 0.000 1.086 317 L CA 1.884 56.674 54.840 -0.084 0.000 0.760 317 L CB -1.569 40.472 42.059 -0.030 0.000 0.910 317 L HN 0.570 nan 8.230 nan 0.000 0.437 318 G N -0.569 108.197 108.800 -0.058 0.000 2.564 318 G HA2 -0.406 3.078 3.960 -0.794 0.000 0.273 318 G HA3 -0.406 3.078 3.960 -0.794 0.000 0.273 318 G C 0.994 175.890 174.900 -0.007 0.000 1.242 318 G CA 1.147 46.223 45.100 -0.041 0.000 0.951 318 G HN 0.525 nan 8.290 nan 0.000 0.564 319 S N 0.009 115.706 115.700 -0.004 0.000 2.520 319 S HA -0.068 3.926 4.470 -0.794 0.000 0.249 319 S C 1.455 176.074 174.600 0.031 0.000 0.983 319 S CA 2.206 60.410 58.200 0.007 0.000 0.958 319 S CB -0.070 63.131 63.200 0.002 0.000 0.750 319 S HN 0.621 nan 8.310 nan 0.000 0.527 320 E N 0.042 120.281 120.200 0.064 0.000 2.474 320 E HA 0.181 4.054 4.350 -0.794 0.000 0.195 320 E C 1.366 178.087 176.600 0.202 0.000 1.039 320 E CA 0.095 56.584 56.400 0.149 0.000 0.881 320 E CB -0.088 29.745 29.700 0.221 0.000 0.970 320 E HN 0.653 nan 8.360 nan 0.000 0.486 321 M N 1.323 120.992 119.600 0.115 0.000 2.059 321 M HA -0.232 3.771 4.480 -0.794 0.000 0.259 321 M C 1.945 178.318 176.300 0.121 0.000 1.072 321 M CA 1.965 57.336 55.300 0.117 0.000 1.117 321 M CB -0.088 32.545 32.600 0.056 0.000 1.320 321 M HN -0.082 nan 8.290 nan 0.000 0.408 322 Q N -0.175 119.660 119.800 0.058 0.000 2.124 322 Q HA -0.231 3.632 4.340 -0.794 0.000 0.202 322 Q C 2.134 178.110 176.000 -0.040 0.000 0.977 322 Q CA 1.898 57.715 55.803 0.024 0.000 0.850 322 Q CB -0.669 28.069 28.738 0.001 0.000 0.901 322 Q HN 0.623 nan 8.270 nan 0.000 0.429 323 K N 0.233 120.564 120.400 -0.115 0.000 2.113 323 K HA -0.202 3.641 4.320 -0.794 0.000 0.208 323 K C 1.136 177.424 176.600 -0.520 0.000 1.047 323 K CA 1.771 57.836 56.287 -0.371 0.000 0.928 323 K CB -0.044 32.164 32.500 -0.486 0.000 0.716 323 K HN 0.331 nan 8.250 nan 0.000 0.446 324 W N -0.271 121.050 121.300 0.035 0.000 2.792 324 W HA 0.309 4.497 4.660 -0.787 0.000 0.262 324 W C 0.370 176.934 176.519 0.075 0.000 1.212 324 W CA -0.478 56.898 57.345 0.051 0.000 1.433 324 W CB 0.689 30.190 29.460 0.068 0.000 1.004 324 W HN -0.182 nan 8.180 nan 0.000 0.608 325 I N 2.973 123.713 120.570 0.283 0.000 2.692 325 I HA 0.179 3.873 4.170 -0.794 0.000 0.285 325 I C -1.962 174.257 176.117 0.169 0.000 1.191 325 I CA -1.805 59.643 61.300 0.246 0.000 1.128 325 I CB 0.120 38.290 38.000 0.284 0.000 1.585 325 I HN -0.421 nan 8.210 nan 0.000 0.558 326 P HA 0.224 nan 4.420 nan 0.000 0.271 326 P C -2.491 174.875 177.300 0.110 0.000 1.244 326 P CA -1.064 62.082 63.100 0.078 0.000 0.793 326 P CB -0.450 31.269 31.700 0.032 0.000 0.984 327 P HA -0.018 nan 4.420 nan 0.000 0.267 327 P C -0.333 177.051 177.300 0.140 0.000 1.201 327 P CA 0.279 63.457 63.100 0.129 0.000 0.775 327 P CB -0.064 31.692 31.700 0.094 0.000 0.854 328 Y N 2.275 122.585 120.300 0.018 0.000 2.610 328 Y HA -0.018 4.057 4.550 -0.792 0.000 0.332 328 Y C 1.277 177.162 175.900 -0.025 0.000 1.201 328 Y CA 0.856 58.936 58.100 -0.033 0.000 1.465 328 Y CB 0.409 38.845 38.460 -0.040 0.000 1.283 328 Y HN 0.366 nan 8.280 nan 0.000 0.563 329 Q N 4.244 123.728 119.800 -0.526 0.000 2.118 329 Q HA 0.297 4.160 4.340 -0.794 0.000 0.219 329 Q C 0.341 175.993 176.000 -0.580 0.000 0.794 329 Q CA 0.423 55.974 55.803 -0.420 0.000 1.035 329 Q CB 0.880 29.484 28.738 -0.223 0.000 1.177 329 Q HN 1.012 nan 8.270 nan 0.000 0.478 330 G N 1.508 109.588 108.800 -1.200 0.000 2.662 330 G HA2 -0.269 3.214 3.960 -0.794 0.000 0.686 330 G HA3 -0.269 3.214 3.960 -0.794 0.000 0.686 330 G C -1.103 173.583 174.900 -0.356 0.000 1.271 330 G CA -0.876 43.795 45.100 -0.716 0.000 0.816 330 G HN 0.185 nan 8.290 nan 0.000 0.608 331 Y N 1.639 121.860 120.300 -0.131 0.000 2.597 331 Y HA 0.487 4.560 4.550 -0.796 0.000 0.336 331 Y C 0.464 176.343 175.900 -0.035 0.000 1.216 331 Y CA -0.180 57.923 58.100 0.005 0.000 1.463 331 Y CB 0.868 39.353 38.460 0.042 0.000 1.303 331 Y HN 0.650 nan 8.280 nan 0.000 0.576 332 N N 5.548 123.975 118.700 -0.455 0.000 2.573 332 N HA 0.066 4.329 4.740 -0.794 0.000 0.262 332 N C 0.198 175.299 175.510 -0.682 0.000 1.029 332 N CA -0.309 52.460 53.050 -0.469 0.000 0.882 332 N CB 0.284 38.651 38.487 -0.200 0.000 1.204 332 N HN 0.957 nan 8.380 nan 0.000 0.519 333 N N 1.053 119.285 118.700 -0.780 0.000 2.520 333 N HA -0.086 4.177 4.740 -0.794 0.000 0.185 333 N C 0.137 175.541 175.510 -0.176 0.000 1.068 333 N CA 0.414 53.159 53.050 -0.508 0.000 0.911 333 N CB 0.233 38.548 38.487 -0.285 0.000 0.961 333 N HN 0.127 nan 8.380 nan 0.000 0.446 334 S N 0.273 115.882 115.700 -0.152 0.000 2.575 334 S HA 0.143 4.136 4.470 -0.794 0.000 0.215 334 S C 0.427 175.013 174.600 -0.023 0.000 0.966 334 S CA -0.360 57.803 58.200 -0.062 0.000 0.911 334 S CB 0.389 63.553 63.200 -0.060 0.000 0.780 334 S HN 0.123 nan 8.310 nan 0.000 0.514 335 V N 2.786 122.687 119.914 -0.023 0.000 2.439 335 V HA 0.248 3.892 4.120 -0.794 0.000 0.282 335 V C 0.014 176.161 176.094 0.088 0.000 1.039 335 V CA -1.036 61.282 62.300 0.031 0.000 0.913 335 V CB 1.411 33.253 31.823 0.032 0.000 0.983 335 V HN 0.142 nan 8.190 nan 0.000 0.460 336 D N 7.642 128.100 120.400 0.097 0.000 2.344 336 D HA 0.152 4.316 4.640 -0.794 0.000 0.253 336 D C -1.234 175.142 176.300 0.126 0.000 1.255 336 D CA -1.706 52.368 54.000 0.124 0.000 0.894 336 D CB 1.772 42.656 40.800 0.140 0.000 1.067 336 D HN 0.299 nan 8.370 nan 0.000 0.492 337 P HA -0.032 nan 4.420 nan 0.000 0.231 337 P C 0.177 177.416 177.300 -0.102 0.000 1.168 337 P CA 0.128 63.261 63.100 0.054 0.000 0.779 337 P CB 0.449 32.234 31.700 0.141 0.000 0.844 338 R N 0.498 120.964 120.500 -0.057 0.000 2.640 338 R HA 0.141 4.005 4.340 -0.794 0.000 0.270 338 R C 0.633 176.869 176.300 -0.107 0.000 1.024 338 R CA -0.298 55.748 56.100 -0.091 0.000 1.085 338 R CB 0.228 30.522 30.300 -0.010 0.000 0.963 338 R HN 0.065 nan 8.270 nan 0.000 0.426 339 I N 2.618 123.083 120.570 -0.176 0.000 2.471 339 I HA -0.017 3.676 4.170 -0.794 0.000 0.286 339 I C 1.023 177.005 176.117 -0.224 0.000 1.079 339 I CA 0.260 61.403 61.300 -0.262 0.000 1.398 339 I CB 0.686 38.555 38.000 -0.220 0.000 1.403 339 I HN 0.698 nan 8.210 nan 0.000 0.530 340 S N 5.158 120.616 115.700 -0.403 0.000 2.603 340 S HA 0.155 4.148 4.470 -0.794 0.000 0.268 340 S C 1.075 175.477 174.600 -0.330 0.000 1.317 340 S CA -0.621 57.231 58.200 -0.580 0.000 1.012 340 S CB 1.451 63.655 63.200 -1.660 0.000 0.926 340 S HN 0.622 nan 8.310 nan 0.000 0.539 341 N N 0.747 119.324 118.700 -0.204 0.000 2.043 341 N HA -0.142 4.121 4.740 -0.794 0.000 0.193 341 N C 1.754 177.277 175.510 0.021 0.000 1.037 341 N CA 1.612 54.669 53.050 0.011 0.000 0.851 341 N CB -0.897 37.680 38.487 0.150 0.000 1.027 341 N HN 0.548 nan 8.380 nan 0.000 0.422 342 V N 0.797 120.621 119.914 -0.149 0.000 2.469 342 V HA -0.215 3.428 4.120 -0.794 0.000 0.251 342 V C 2.104 178.099 176.094 -0.166 0.000 1.064 342 V CA 1.633 63.799 62.300 -0.224 0.000 1.066 342 V CB -0.750 30.593 31.823 -0.800 0.000 0.667 342 V HN 0.301 nan 8.190 nan 0.000 0.461 343 F N 1.979 121.686 119.950 -0.406 0.000 2.069 343 F HA -0.232 3.818 4.527 -0.794 0.000 0.298 343 F C 2.755 178.472 175.800 -0.138 0.000 1.113 343 F CA 2.570 60.392 58.000 -0.296 0.000 1.214 343 F CB -0.926 37.851 39.000 -0.371 0.000 0.978 343 F HN 0.377 nan 8.300 nan 0.000 0.474 344 T N -1.951 112.572 114.554 -0.052 0.000 2.969 344 T HA -0.249 3.624 4.350 -0.794 0.000 0.271 344 T C 1.508 175.896 174.700 -0.520 0.000 1.127 344 T CA 1.722 63.657 62.100 -0.276 0.000 1.102 344 T CB -1.041 67.601 68.868 -0.377 0.000 0.855 344 T HN 0.338 nan 8.240 nan 0.000 0.536 345 F N 0.440 120.286 119.950 -0.173 0.000 2.553 345 F HA 0.592 4.659 4.527 -0.767 0.000 0.282 345 F C 2.717 178.515 175.800 -0.004 0.000 1.089 345 F CA -0.043 57.911 58.000 -0.077 0.000 1.411 345 F CB -0.528 38.443 39.000 -0.049 0.000 1.125 345 F HN 0.187 nan 8.300 nan 0.000 0.610 346 A N -0.115 122.724 122.820 0.032 0.000 1.930 346 A HA -0.193 3.651 4.320 -0.794 0.000 0.217 346 A C 1.832 179.466 177.584 0.082 0.000 1.175 346 A CA 1.115 53.154 52.037 0.003 0.000 0.627 346 A CB -1.069 17.855 19.000 -0.127 0.000 0.815 346 A HN 0.351 nan 8.150 nan 0.000 0.443 347 F N 0.892 120.591 119.950 -0.418 0.000 2.771 347 F HA 0.096 4.376 4.527 -0.411 0.000 0.299 347 F C 1.698 177.210 175.800 -0.480 0.000 1.177 347 F CA 0.064 57.788 58.000 -0.461 0.000 1.450 347 F CB -0.376 38.117 39.000 -0.846 0.000 1.114 347 F HN 0.203 nan 8.300 nan 0.000 0.587 348 R N -0.316 120.088 120.500 -0.161 0.000 2.320 348 R HA -0.051 3.813 4.340 -0.794 0.000 0.211 348 R C 1.862 178.111 176.300 -0.085 0.000 0.931 348 R CA 0.315 56.229 56.100 -0.310 0.000 1.071 348 R CB -0.710 29.531 30.300 -0.098 0.000 1.025 348 R HN 0.374 nan 8.270 nan 0.000 0.495 349 F N -0.736 119.240 119.950 0.044 0.000 2.250 349 F HA 0.007 4.115 4.527 -0.700 0.000 0.301 349 F C 1.917 177.741 175.800 0.040 0.000 1.077 349 F CA 0.973 58.999 58.000 0.044 0.000 1.348 349 F CB -1.016 38.005 39.000 0.035 0.000 1.040 349 F HN -0.115 nan 8.300 nan 0.000 0.509 350 G N -0.344 108.014 108.800 -0.736 0.000 2.462 350 G HA2 -0.261 3.222 3.960 -0.794 0.000 0.220 350 G HA3 -0.261 3.222 3.960 -0.794 0.000 0.220 350 G C 1.263 176.126 174.900 -0.062 0.000 1.121 350 G CA 0.992 45.796 45.100 -0.494 0.000 0.758 350 G HN 0.631 nan 8.290 nan 0.000 0.559 351 H N -0.532 118.542 119.070 0.007 0.000 2.518 351 H HA 0.099 4.191 4.556 -0.774 0.000 0.289 351 H C 2.037 177.478 175.328 0.188 0.000 1.051 351 H CA 0.536 56.655 56.048 0.119 0.000 1.280 351 H CB 0.042 29.938 29.762 0.224 0.000 1.380 351 H HN 0.349 nan 8.280 nan 0.000 0.566 352 M N 0.064 119.850 119.600 0.309 0.000 2.453 352 M HA 0.041 4.044 4.480 -0.794 0.000 0.239 352 M C 0.358 176.790 176.300 0.220 0.000 1.151 352 M CA 0.582 56.038 55.300 0.260 0.000 0.989 352 M CB 0.630 33.354 32.600 0.208 0.000 1.548 352 M HN 0.265 nan 8.290 nan 0.000 0.479 353 E N -0.061 120.263 120.200 0.206 0.000 2.562 353 E HA 0.150 4.023 4.350 -0.794 0.000 0.214 353 E C -0.216 176.489 176.600 0.176 0.000 0.979 353 E CA -0.063 56.455 56.400 0.196 0.000 1.002 353 E CB 1.236 31.049 29.700 0.188 0.000 1.048 353 E HN 0.146 nan 8.360 nan 0.000 0.488 354 V N 5.058 125.078 119.914 0.177 0.000 2.385 354 V HA 0.182 3.825 4.120 -0.794 0.000 0.269 354 V C -1.891 174.309 176.094 0.176 0.000 1.043 354 V CA -1.517 60.881 62.300 0.162 0.000 0.906 354 V CB 0.600 32.520 31.823 0.163 0.000 0.995 354 V HN 0.048 nan 8.190 nan 0.000 0.467 355 P HA 0.209 nan 4.420 nan 0.000 0.278 355 P C 0.725 178.105 177.300 0.133 0.000 1.266 355 P CA -0.426 62.766 63.100 0.154 0.000 0.807 355 P CB 1.266 33.046 31.700 0.132 0.000 1.094 356 S N -0.896 114.881 115.700 0.129 0.000 2.428 356 S HA 0.005 3.999 4.470 -0.794 0.000 0.230 356 S C 1.014 175.647 174.600 0.054 0.000 1.014 356 S CA 0.889 59.150 58.200 0.101 0.000 0.957 356 S CB -1.102 62.161 63.200 0.104 0.000 0.784 356 S HN 0.769 nan 8.310 nan 0.000 0.499 357 T N -1.274 113.309 114.554 0.048 0.000 2.916 357 T HA 0.748 4.621 4.350 -0.794 0.000 0.292 357 T C -0.953 173.752 174.700 0.009 0.000 1.064 357 T CA -0.825 61.282 62.100 0.011 0.000 1.011 357 T CB 1.899 70.778 68.868 0.018 0.000 1.152 357 T HN 0.002 nan 8.240 nan 0.000 0.510 358 V N 1.669 121.570 119.914 -0.022 0.000 2.588 358 V HA 0.672 4.316 4.120 -0.794 0.000 0.304 358 V C -0.266 175.816 176.094 -0.020 0.000 1.042 358 V CA -0.683 61.605 62.300 -0.020 0.000 0.877 358 V CB 2.122 33.913 31.823 -0.053 0.000 0.996 358 V HN 1.146 nan 8.190 nan 0.000 0.425 359 S N 3.625 119.323 115.700 -0.004 0.000 2.568 359 S HA 0.743 4.737 4.470 -0.794 0.000 0.302 359 S C -0.559 174.028 174.600 -0.022 0.000 1.082 359 S CA -0.849 57.354 58.200 0.004 0.000 1.009 359 S CB 1.770 64.987 63.200 0.027 0.000 1.069 359 S HN 0.656 nan 8.310 nan 0.000 0.500 360 R N 1.439 121.938 120.500 -0.001 0.000 2.343 360 R HA 0.601 4.464 4.340 -0.794 0.000 0.320 360 R C -1.106 175.204 176.300 0.016 0.000 0.956 360 R CA -0.165 55.900 56.100 -0.057 0.000 0.836 360 R CB 0.711 30.980 30.300 -0.052 0.000 1.151 360 R HN 0.475 nan 8.270 nan 0.000 0.450 361 L N 2.651 123.805 121.223 -0.114 0.000 2.334 361 L HA 0.471 4.335 4.340 -0.794 0.000 0.276 361 L C 0.084 176.858 176.870 -0.160 0.000 1.014 361 L CA -1.109 53.668 54.840 -0.105 0.000 0.815 361 L CB 1.692 43.618 42.059 -0.221 0.000 1.268 361 L HN 0.676 nan 8.230 nan 0.000 0.428 362 D N 0.390 120.788 120.400 -0.004 0.000 2.425 362 D HA 0.024 4.187 4.640 -0.794 0.000 0.274 362 D C 0.688 176.881 176.300 -0.178 0.000 1.242 362 D CA -0.313 53.720 54.000 0.055 0.000 1.060 362 D CB 0.438 41.356 40.800 0.197 0.000 1.112 362 D HN 0.478 nan 8.370 nan 0.000 0.561 363 E N -0.895 119.253 120.200 -0.087 0.000 2.268 363 E HA -0.132 3.741 4.350 -0.794 0.000 0.195 363 E C 0.638 177.190 176.600 -0.080 0.000 0.995 363 E CA 0.758 57.095 56.400 -0.106 0.000 0.836 363 E CB -0.497 29.187 29.700 -0.026 0.000 0.763 363 E HN 0.485 nan 8.360 nan 0.000 0.491 364 N N -0.390 118.264 118.700 -0.077 0.000 2.235 364 N HA 0.059 4.323 4.740 -0.794 0.000 0.209 364 N C -0.807 174.558 175.510 -0.243 0.000 1.122 364 N CA -0.181 52.838 53.050 -0.052 0.000 0.845 364 N CB 0.238 38.745 38.487 0.034 0.000 1.004 364 N HN 0.079 nan 8.380 nan 0.000 0.499 365 Y N -0.176 119.812 120.300 -0.520 0.000 3.929 365 Y HA -0.264 3.808 4.550 -0.796 0.000 0.225 365 Y C -0.037 175.702 175.900 -0.269 0.000 1.200 365 Y CA 0.223 57.997 58.100 -0.543 0.000 1.791 365 Y CB -1.581 36.212 38.460 -1.112 0.000 1.561 365 Y HN 0.253 nan 8.280 nan 0.000 0.657 366 Q N 0.158 119.916 119.800 -0.070 0.000 2.215 366 Q HA 0.411 4.275 4.340 -0.794 0.000 0.256 366 Q C -2.203 173.815 176.000 0.030 0.000 0.972 366 Q CA -2.252 53.550 55.803 -0.001 0.000 0.889 366 Q CB 0.881 29.625 28.738 0.011 0.000 1.281 366 Q HN -0.068 nan 8.270 nan 0.000 0.456 367 P HA -0.113 nan 4.420 nan 0.000 0.260 367 P C -0.778 176.589 177.300 0.113 0.000 1.172 367 P CA 0.396 63.540 63.100 0.073 0.000 0.760 367 P CB 0.163 31.891 31.700 0.047 0.000 0.773 368 W N 6.086 127.356 121.300 -0.050 0.000 2.318 368 W HA 0.461 4.647 4.660 -0.791 0.000 0.362 368 W C 0.687 177.189 176.519 -0.028 0.000 0.978 368 W CA 1.255 58.572 57.345 -0.047 0.000 1.509 368 W CB -0.288 29.136 29.460 -0.059 0.000 1.437 368 W HN 0.802 nan 8.180 nan 0.000 0.361 369 G N 5.403 114.047 108.800 -0.260 0.000 2.660 369 G HA2 -0.257 3.226 3.960 -0.794 0.000 0.215 369 G HA3 -0.257 3.226 3.960 -0.794 0.000 0.215 369 G C -1.435 173.396 174.900 -0.114 0.000 1.345 369 G CA -0.352 44.570 45.100 -0.298 0.000 0.877 369 G HN 0.320 nan 8.290 nan 0.000 0.549 370 P HA 0.132 nan 4.420 nan 0.000 0.227 370 P C 0.580 177.874 177.300 -0.011 0.000 1.161 370 P CA 1.343 64.416 63.100 -0.044 0.000 0.788 370 P CB 0.206 31.878 31.700 -0.047 0.000 0.822 371 E N -0.471 119.731 120.200 0.004 0.000 3.388 371 E HA 0.390 4.264 4.350 -0.794 0.000 0.214 371 E C 1.032 177.668 176.600 0.061 0.000 1.040 371 E CA -0.343 56.074 56.400 0.029 0.000 1.327 371 E CB 0.558 30.279 29.700 0.035 0.000 1.243 371 E HN 0.061 nan 8.360 nan 0.000 0.444 372 A N 1.425 124.289 122.820 0.072 0.000 1.877 372 A HA -0.177 3.666 4.320 -0.794 0.000 0.216 372 A C 1.282 178.908 177.584 0.069 0.000 1.186 372 A CA 1.082 53.190 52.037 0.119 0.000 0.620 372 A CB -0.042 19.026 19.000 0.114 0.000 0.822 372 A HN 0.332 nan 8.150 nan 0.000 0.443 373 E N 0.025 120.248 120.200 0.038 0.000 2.115 373 E HA 0.524 4.397 4.350 -0.794 0.000 0.282 373 E C -1.282 175.312 176.600 -0.010 0.000 0.987 373 E CA -0.380 56.030 56.400 0.017 0.000 0.797 373 E CB 0.401 30.115 29.700 0.024 0.000 1.086 373 E HN 0.419 nan 8.360 nan 0.000 0.397 374 L N 5.766 126.966 121.223 -0.039 0.000 2.334 374 L HA 0.508 4.371 4.340 -0.794 0.000 0.276 374 L C -2.222 174.580 176.870 -0.114 0.000 1.014 374 L CA -2.741 52.048 54.840 -0.085 0.000 0.815 374 L CB 1.693 43.680 42.059 -0.121 0.000 1.268 374 L HN 0.485 nan 8.230 nan 0.000 0.428 375 P HA -0.034 nan 4.420 nan 0.000 0.264 375 P C 0.816 177.937 177.300 -0.299 0.000 1.193 375 P CA -0.020 62.953 63.100 -0.213 0.000 0.763 375 P CB 0.656 32.148 31.700 -0.347 0.000 0.810 376 L N 4.516 125.624 121.223 -0.190 0.000 2.129 376 L HA -0.224 3.640 4.340 -0.794 0.000 0.212 376 L C 2.149 178.674 176.870 -0.576 0.000 1.087 376 L CA 1.984 56.667 54.840 -0.261 0.000 0.757 376 L CB -0.662 41.346 42.059 -0.084 0.000 0.896 376 L HN 0.646 nan 8.230 nan 0.000 0.434 377 H N -1.665 117.185 119.070 -0.367 0.000 2.491 377 H HA -0.098 3.980 4.556 -0.796 0.000 0.290 377 H C 1.640 176.802 175.328 -0.277 0.000 1.050 377 H CA 1.409 57.220 56.048 -0.395 0.000 1.309 377 H CB -0.489 29.332 29.762 0.099 0.000 1.392 377 H HN 0.427 nan 8.280 nan 0.000 0.554 378 T N -1.083 113.130 114.554 -0.569 0.000 3.194 378 T HA 0.186 4.059 4.350 -0.794 0.000 0.251 378 T C 1.612 176.180 174.700 -0.220 0.000 1.132 378 T CA -0.087 61.838 62.100 -0.291 0.000 1.028 378 T CB -0.275 68.394 68.868 -0.332 0.000 0.976 378 T HN 0.338 nan 8.240 nan 0.000 0.535 379 L N -0.771 120.232 121.223 -0.365 0.000 2.731 379 L HA 0.463 4.326 4.340 -0.794 0.000 0.240 379 L C -0.223 176.532 176.870 -0.190 0.000 1.120 379 L CA -0.589 54.073 54.840 -0.297 0.000 0.913 379 L CB 0.116 41.992 42.059 -0.305 0.000 1.213 379 L HN 0.154 nan 8.230 nan 0.000 0.515 380 F N 0.478 120.440 119.950 0.021 0.000 2.578 380 F HA 0.124 4.173 4.527 -0.797 0.000 0.376 380 F C 0.748 176.570 175.800 0.037 0.000 1.085 380 F CA -0.657 57.330 58.000 -0.021 0.000 1.260 380 F CB -0.558 38.539 39.000 0.163 0.000 1.095 380 F HN -0.061 nan 8.300 nan 0.000 0.573 381 F N 0.233 120.300 119.950 0.195 0.000 3.100 381 F HA -0.326 3.729 4.527 -0.786 0.000 0.283 381 F C 0.596 176.399 175.800 0.004 0.000 0.900 381 F CA 0.319 58.368 58.000 0.082 0.000 1.010 381 F CB -1.478 37.601 39.000 0.131 0.000 1.029 381 F HN 0.511 nan 8.300 nan 0.000 0.637 382 N N 0.789 119.505 118.700 0.027 0.000 2.457 382 N HA 0.275 4.538 4.740 -0.794 0.000 0.250 382 N C 0.903 176.319 175.510 -0.157 0.000 0.982 382 N CA 0.695 53.702 53.050 -0.072 0.000 0.941 382 N CB 1.117 39.487 38.487 -0.196 0.000 1.120 382 N HN 0.263 nan 8.380 nan 0.000 0.505 383 T N -0.200 114.269 114.554 -0.142 0.000 2.985 383 T HA 0.056 3.930 4.350 -0.794 0.000 0.254 383 T C 1.680 176.293 174.700 -0.146 0.000 1.021 383 T CA -0.481 61.465 62.100 -0.256 0.000 0.957 383 T CB -0.290 68.278 68.868 -0.500 0.000 1.047 383 T HN 0.648 nan 8.240 nan 0.000 0.511 384 W N 2.187 123.415 121.300 -0.120 0.000 2.476 384 W HA 0.170 4.356 4.660 -0.791 0.000 0.281 384 W C 1.400 177.898 176.519 -0.034 0.000 1.230 384 W CA -0.172 57.125 57.345 -0.080 0.000 1.287 384 W CB -0.655 28.761 29.460 -0.074 0.000 1.108 384 W HN 0.038 nan 8.180 nan 0.000 0.567 385 R N 1.217 121.201 120.500 -0.861 0.000 2.193 385 R HA -0.076 3.787 4.340 -0.794 0.000 0.229 385 R C 1.968 178.101 176.300 -0.277 0.000 1.110 385 R CA 1.310 56.946 56.100 -0.774 0.000 0.988 385 R CB -0.544 29.235 30.300 -0.868 0.000 0.871 385 R HN 0.430 nan 8.270 nan 0.000 0.458 386 I N -0.080 120.385 120.570 -0.174 0.000 2.364 386 I HA -0.168 3.526 4.170 -0.794 0.000 0.241 386 I C 2.045 178.189 176.117 0.045 0.000 1.082 386 I CA 0.508 61.782 61.300 -0.045 0.000 1.401 386 I CB -0.261 37.740 38.000 0.002 0.000 1.126 386 I HN -0.088 nan 8.210 nan 0.000 0.429 387 I N 1.316 121.891 120.570 0.008 0.000 2.142 387 I HA -0.231 3.463 4.170 -0.794 0.000 0.240 387 I C 1.990 178.216 176.117 0.183 0.000 1.078 387 I CA 1.792 63.140 61.300 0.079 0.000 1.343 387 I CB -1.140 36.914 38.000 0.091 0.000 1.046 387 I HN 0.274 nan 8.210 nan 0.000 0.405 388 K N 0.165 120.687 120.400 0.204 0.000 2.387 388 K HA 0.052 3.895 4.320 -0.794 0.000 0.198 388 K C -0.119 176.645 176.600 0.273 0.000 1.022 388 K CA 0.256 56.696 56.287 0.256 0.000 1.128 388 K CB 0.336 33.034 32.500 0.330 0.000 0.853 388 K HN 0.200 nan 8.250 nan 0.000 0.523 389 D N -0.573 119.954 120.400 0.212 0.000 3.078 389 D HA 0.182 4.345 4.640 -0.794 0.000 0.363 389 D C 0.492 176.934 176.300 0.236 0.000 1.391 389 D CA 0.369 54.528 54.000 0.265 0.000 0.754 389 D CB 0.301 41.220 40.800 0.198 0.000 1.238 389 D HN 0.213 nan 8.370 nan 0.000 0.500 390 G N -0.511 108.408 108.800 0.198 0.000 2.545 390 G HA2 0.235 3.718 3.960 -0.794 0.000 0.195 390 G HA3 0.235 3.718 3.960 -0.794 0.000 0.195 390 G C 1.032 175.907 174.900 -0.043 0.000 1.009 390 G CA 0.329 45.393 45.100 -0.060 0.000 0.703 390 G HN 1.268 nan 8.290 nan 0.000 0.479 391 G N 0.037 108.867 108.800 0.049 0.000 2.584 391 G HA2 0.037 3.520 3.960 -0.794 0.000 0.229 391 G HA3 0.037 3.520 3.960 -0.794 0.000 0.229 391 G C 0.944 175.857 174.900 0.021 0.000 1.320 391 G CA 0.809 45.992 45.100 0.137 0.000 0.891 391 G HN 1.730 nan 8.290 nan 0.000 0.573 392 I N -2.977 117.611 120.570 0.029 0.000 3.941 392 I HA 0.353 4.047 4.170 -0.794 0.000 0.321 392 I C 1.509 177.566 176.117 -0.100 0.000 1.284 392 I CA 1.173 62.459 61.300 -0.023 0.000 1.226 392 I CB 0.127 38.140 38.000 0.022 0.000 1.045 392 I HN 0.266 nan 8.210 nan 0.000 0.420 393 D N 2.923 123.248 120.400 -0.125 0.000 2.097 393 D HA -0.078 4.085 4.640 -0.794 0.000 0.195 393 D C -0.422 175.724 176.300 -0.256 0.000 0.989 393 D CA 1.656 55.557 54.000 -0.165 0.000 0.827 393 D CB -1.389 39.325 40.800 -0.143 0.000 0.966 393 D HN 0.322 nan 8.370 nan 0.000 0.456 394 P HA -0.063 nan 4.420 nan 0.000 0.218 394 P C 1.494 178.603 177.300 -0.319 0.000 1.149 394 P CA 0.838 63.636 63.100 -0.502 0.000 0.817 394 P CB 0.059 31.190 31.700 -0.948 0.000 0.785 395 L N -1.571 119.510 121.223 -0.237 0.000 2.095 395 L HA -0.089 3.775 4.340 -0.794 0.000 0.204 395 L C 2.327 179.157 176.870 -0.066 0.000 1.080 395 L CA 0.951 55.712 54.840 -0.131 0.000 0.759 395 L CB -1.046 40.955 42.059 -0.097 0.000 0.914 395 L HN -0.176 nan 8.230 nan 0.000 0.439 396 V N -0.012 119.864 119.914 -0.062 0.000 2.392 396 V HA -0.289 3.354 4.120 -0.794 0.000 0.249 396 V C 2.613 178.721 176.094 0.023 0.000 1.059 396 V CA 1.746 64.049 62.300 0.004 0.000 1.051 396 V CB -0.699 31.118 31.823 -0.009 0.000 0.658 396 V HN 0.410 nan 8.190 nan 0.000 0.455 397 R N 0.034 120.482 120.500 -0.085 0.000 2.092 397 R HA -0.065 3.799 4.340 -0.794 0.000 0.231 397 R C 2.510 178.826 176.300 0.028 0.000 1.119 397 R CA 1.278 57.305 56.100 -0.121 0.000 0.970 397 R CB -0.800 29.144 30.300 -0.593 0.000 0.864 397 R HN 0.600 nan 8.270 nan 0.000 0.440 398 G N 1.594 110.382 108.800 -0.020 0.000 2.514 398 G HA2 -0.275 3.209 3.960 -0.794 0.000 0.217 398 G HA3 -0.275 3.209 3.960 -0.794 0.000 0.217 398 G C 1.435 176.399 174.900 0.107 0.000 1.198 398 G CA 0.616 45.740 45.100 0.040 0.000 0.780 398 G HN 0.145 nan 8.290 nan 0.000 0.565 399 L N -0.147 121.136 121.223 0.100 0.000 2.064 399 L HA -0.160 3.704 4.340 -0.794 0.000 0.216 399 L C 2.942 179.915 176.870 0.171 0.000 1.077 399 L CA 1.007 55.925 54.840 0.131 0.000 0.766 399 L CB -0.307 41.832 42.059 0.134 0.000 0.890 399 L HN 0.237 nan 8.230 nan 0.000 0.435 400 L N -1.549 119.811 121.223 0.229 0.000 2.162 400 L HA -0.053 3.810 4.340 -0.794 0.000 0.205 400 L C 2.620 179.707 176.870 0.361 0.000 1.086 400 L CA 0.868 55.883 54.840 0.292 0.000 0.778 400 L CB -0.489 41.825 42.059 0.425 0.000 0.928 400 L HN 0.191 nan 8.230 nan 0.000 0.446 401 A N -1.085 121.970 122.820 0.392 0.000 1.997 401 A HA 0.067 3.910 4.320 -0.794 0.000 0.212 401 A C 1.053 178.780 177.584 0.239 0.000 1.178 401 A CA 0.483 52.744 52.037 0.373 0.000 0.698 401 A CB 0.150 19.375 19.000 0.375 0.000 0.842 401 A HN 0.022 nan 8.150 nan 0.000 0.458 402 K N 1.349 121.863 120.400 0.190 0.000 2.098 402 K HA 0.318 4.161 4.320 -0.794 0.000 0.261 402 K C -0.944 175.746 176.600 0.150 0.000 0.987 402 K CA -0.695 55.681 56.287 0.150 0.000 0.916 402 K CB 0.518 33.090 32.500 0.121 0.000 1.039 402 K HN 0.167 nan 8.250 nan 0.000 0.455 403 N N 0.173 118.955 118.700 0.136 0.000 2.483 403 N HA 0.144 4.407 4.740 -0.794 0.000 0.269 403 N C -0.165 175.439 175.510 0.156 0.000 1.209 403 N CA -0.012 53.122 53.050 0.139 0.000 0.969 403 N CB 0.748 39.306 38.487 0.117 0.000 1.173 403 N HN 0.333 nan 8.380 nan 0.000 0.475 404 S N 0.166 115.980 115.700 0.190 0.000 2.645 404 S HA 0.139 4.132 4.470 -0.794 0.000 0.266 404 S C 0.420 175.128 174.600 0.180 0.000 1.258 404 S CA -0.562 57.766 58.200 0.214 0.000 0.990 404 S CB 0.788 64.182 63.200 0.323 0.000 0.967 404 S HN 0.410 nan 8.310 nan 0.000 0.556 405 K N 1.387 121.895 120.400 0.180 0.000 2.312 405 K HA 0.259 4.103 4.320 -0.794 0.000 0.287 405 K C -0.700 175.995 176.600 0.157 0.000 1.062 405 K CA -0.495 55.886 56.287 0.158 0.000 0.934 405 K CB 0.263 32.866 32.500 0.170 0.000 1.027 405 K HN 0.426 nan 8.250 nan 0.000 0.478 406 L N 5.282 126.573 121.223 0.113 0.000 2.410 406 L HA 0.126 3.990 4.340 -0.794 0.000 0.273 406 L C 0.190 177.104 176.870 0.074 0.000 1.152 406 L CA 0.077 54.975 54.840 0.097 0.000 0.855 406 L CB 0.789 42.881 42.059 0.055 0.000 1.129 406 L HN 0.740 nan 8.230 nan 0.000 0.463 407 M N 5.317 124.971 119.600 0.091 0.000 2.249 407 M HA 0.066 4.069 4.480 -0.794 0.000 0.340 407 M C -0.691 175.615 176.300 0.009 0.000 1.166 407 M CA 0.813 56.150 55.300 0.062 0.000 1.115 407 M CB -0.138 32.506 32.600 0.073 0.000 1.606 407 M HN 0.719 nan 8.290 nan 0.000 0.448 408 N N 3.193 121.877 118.700 -0.026 0.000 2.425 408 N HA 0.174 4.438 4.740 -0.794 0.000 0.289 408 N C -0.070 175.406 175.510 -0.057 0.000 1.074 408 N CA -0.263 52.752 53.050 -0.059 0.000 0.905 408 N CB 1.518 39.933 38.487 -0.120 0.000 1.586 408 N HN 0.653 nan 8.380 nan 0.000 0.490 409 Q N 0.731 120.505 119.800 -0.043 0.000 2.181 409 Q HA -0.010 3.853 4.340 -0.794 0.000 0.205 409 Q C 0.858 176.842 176.000 -0.028 0.000 0.980 409 Q CA 1.319 57.101 55.803 -0.035 0.000 0.862 409 Q CB 0.217 28.937 28.738 -0.029 0.000 0.905 409 Q HN 0.495 nan 8.270 nan 0.000 0.429 410 N N 0.104 118.778 118.700 -0.043 0.000 2.424 410 N HA -0.000 4.263 4.740 -0.794 0.000 0.178 410 N C -0.305 175.168 175.510 -0.062 0.000 1.060 410 N CA 0.671 53.703 53.050 -0.031 0.000 0.901 410 N CB 0.498 38.967 38.487 -0.030 0.000 0.979 410 N HN 0.101 nan 8.380 nan 0.000 0.451 411 K N 0.633 120.919 120.400 -0.190 0.000 2.827 411 K HA 0.333 4.176 4.320 -0.794 0.000 0.186 411 K C 0.594 177.016 176.600 -0.296 0.000 1.093 411 K CA -0.117 55.830 56.287 -0.567 0.000 0.993 411 K CB 1.257 33.067 32.500 -1.149 0.000 1.199 411 K HN -0.066 nan 8.250 nan 0.000 0.598 412 M N 0.050 119.705 119.600 0.093 0.000 2.111 412 M HA 0.020 4.023 4.480 -0.794 0.000 0.257 412 M C 0.716 177.200 176.300 0.307 0.000 1.096 412 M CA 1.245 56.640 55.300 0.158 0.000 1.117 412 M CB 0.109 32.793 32.600 0.140 0.000 1.265 412 M HN 0.031 nan 8.290 nan 0.000 0.427 413 V N 0.758 120.924 119.914 0.420 0.000 2.448 413 V HA 0.169 3.813 4.120 -0.794 0.000 0.295 413 V C 0.135 176.430 176.094 0.335 0.000 1.025 413 V CA -0.724 61.805 62.300 0.381 0.000 0.859 413 V CB 1.468 33.495 31.823 0.340 0.000 0.988 413 V HN 0.397 nan 8.190 nan 0.000 0.431 414 T N 3.193 117.921 114.554 0.291 0.000 2.946 414 T HA 0.012 3.885 4.350 -0.794 0.000 0.311 414 T C 1.450 176.135 174.700 -0.025 0.000 1.063 414 T CA 0.461 62.590 62.100 0.049 0.000 1.139 414 T CB 0.724 69.681 68.868 0.149 0.000 0.994 414 T HN 0.826 nan 8.240 nan 0.000 0.547 415 S N 3.551 119.153 115.700 -0.164 0.000 2.440 415 S HA -0.092 3.901 4.470 -0.794 0.000 0.238 415 S C 1.870 176.500 174.600 0.049 0.000 1.010 415 S CA 0.717 58.876 58.200 -0.068 0.000 0.972 415 S CB -0.155 62.977 63.200 -0.113 0.000 0.774 415 S HN 0.742 nan 8.310 nan 0.000 0.501 416 E N 1.057 121.317 120.200 0.101 0.000 2.204 416 E HA -0.016 3.858 4.350 -0.794 0.000 0.195 416 E C 1.834 178.619 176.600 0.308 0.000 0.990 416 E CA 0.691 57.221 56.400 0.217 0.000 0.821 416 E CB -0.191 29.635 29.700 0.210 0.000 0.750 416 E HN 0.500 nan 8.360 nan 0.000 0.477 417 L N -0.456 120.900 121.223 0.221 0.000 2.357 417 L HA 0.104 3.967 4.340 -0.794 0.000 0.211 417 L C 2.573 179.507 176.870 0.107 0.000 1.075 417 L CA 0.235 55.181 54.840 0.176 0.000 0.830 417 L CB 0.022 42.152 42.059 0.119 0.000 0.996 417 L HN -0.051 nan 8.230 nan 0.000 0.467 418 R N -0.363 120.197 120.500 0.099 0.000 2.246 418 R HA 0.002 3.865 4.340 -0.794 0.000 0.199 418 R C 1.230 177.575 176.300 0.075 0.000 0.984 418 R CA 0.724 56.874 56.100 0.084 0.000 1.015 418 R CB 0.344 30.694 30.300 0.082 0.000 0.930 418 R HN 0.319 nan 8.270 nan 0.000 0.475 419 N N -0.430 118.315 118.700 0.075 0.000 2.360 419 N HA 0.060 4.323 4.740 -0.794 0.000 0.211 419 N C -0.171 175.391 175.510 0.087 0.000 1.147 419 N CA 0.463 53.545 53.050 0.053 0.000 0.866 419 N CB 0.861 39.351 38.487 0.005 0.000 1.206 419 N HN 0.030 nan 8.380 nan 0.000 0.478 420 K N 0.771 121.263 120.400 0.154 0.000 2.758 420 K HA 0.254 4.097 4.320 -0.794 0.000 0.208 420 K C -0.537 176.326 176.600 0.438 0.000 1.091 420 K CA -0.372 56.050 56.287 0.226 0.000 1.059 420 K CB 0.979 33.516 32.500 0.061 0.000 0.801 420 K HN -0.089 nan 8.250 nan 0.000 0.470 421 L N 1.408 122.831 121.223 0.333 0.000 2.416 421 L HA 0.259 4.123 4.340 -0.794 0.000 0.272 421 L C -0.539 176.486 176.870 0.258 0.000 1.161 421 L CA -0.108 54.845 54.840 0.188 0.000 0.845 421 L CB 0.118 42.174 42.059 -0.004 0.000 1.119 421 L HN 0.079 nan 8.230 nan 0.000 0.464 422 F N 4.685 124.618 119.950 -0.029 0.000 2.408 422 F HA 0.434 4.481 4.527 -0.800 0.000 0.344 422 F C -0.112 175.641 175.800 -0.078 0.000 1.112 422 F CA -0.197 57.779 58.000 -0.041 0.000 1.096 422 F CB 0.777 39.712 39.000 -0.109 0.000 1.129 422 F HN 0.454 nan 8.300 nan 0.000 0.486 423 Q N 7.421 126.772 119.800 -0.748 0.000 2.333 423 Q HA 0.256 4.120 4.340 -0.794 0.000 0.267 423 Q C -1.989 173.461 176.000 -0.918 0.000 1.012 423 Q CA -1.840 53.543 55.803 -0.700 0.000 0.824 423 Q CB 1.892 30.093 28.738 -0.895 0.000 1.290 423 Q HN 0.410 nan 8.270 nan 0.000 0.449 424 P HA -0.189 nan 4.420 nan 0.000 0.215 424 P C 1.105 178.030 177.300 -0.626 0.000 1.163 424 P CA 1.770 64.430 63.100 -0.735 0.000 0.894 424 P CB 0.244 31.565 31.700 -0.631 0.000 0.791 425 T N -1.276 112.889 114.554 -0.648 0.000 2.759 425 T HA -0.120 3.753 4.350 -0.794 0.000 0.269 425 T C 1.012 175.249 174.700 -0.772 0.000 1.042 425 T CA 1.322 62.992 62.100 -0.716 0.000 1.140 425 T CB -0.659 67.695 68.868 -0.858 0.000 0.864 425 T HN 0.221 nan 8.240 nan 0.000 0.455 426 H N 0.094 118.903 119.070 -0.435 0.000 2.645 426 H HA 0.457 4.535 4.556 -0.796 0.000 0.308 426 H C 1.042 176.104 175.328 -0.443 0.000 1.495 426 H CA -0.411 55.453 56.048 -0.306 0.000 1.518 426 H CB 0.974 30.700 29.762 -0.061 0.000 1.752 426 H HN 0.077 nan 8.280 nan 0.000 0.797 427 K N 0.126 120.516 120.400 -0.017 0.000 2.436 427 K HA 0.137 3.980 4.320 -0.794 0.000 0.198 427 K C 0.572 177.524 176.600 0.587 0.000 1.174 427 K CA 0.106 56.470 56.287 0.128 0.000 0.951 427 K CB 1.000 33.592 32.500 0.154 0.000 1.040 427 K HN 0.242 nan 8.250 nan 0.000 0.536 428 V N 1.168 121.324 119.914 0.403 0.000 2.785 428 V HA 0.226 3.869 4.120 -0.794 0.000 0.300 428 V C -0.766 175.672 176.094 0.573 0.000 1.062 428 V CA -0.456 62.118 62.300 0.456 0.000 1.029 428 V CB 0.976 32.928 31.823 0.216 0.000 1.024 428 V HN 0.210 nan 8.190 nan 0.000 0.477 429 H N 4.283 123.623 119.070 0.450 0.000 2.652 429 H HA 0.623 4.704 4.556 -0.792 0.000 0.233 429 H C 0.818 176.288 175.328 0.237 0.000 1.762 429 H CA 0.317 56.637 56.048 0.453 0.000 1.285 429 H CB 0.548 30.538 29.762 0.379 0.000 1.668 429 H HN 0.983 nan 8.280 nan 0.000 0.550 430 G N 1.128 110.086 108.800 0.264 0.000 5.070 430 G HA2 0.058 3.542 3.960 -0.794 0.000 0.249 430 G HA3 0.058 3.542 3.960 -0.794 0.000 0.249 430 G C -0.452 174.410 174.900 -0.063 0.000 0.931 430 G CA -0.256 44.880 45.100 0.061 0.000 0.753 430 G HN 0.189 nan 8.290 nan 0.000 0.320 431 F N 0.778 120.769 119.950 0.069 0.000 2.368 431 F HA 0.559 4.612 4.527 -0.790 0.000 0.315 431 F C 0.206 176.031 175.800 0.042 0.000 1.145 431 F CA -0.576 57.449 58.000 0.041 0.000 1.095 431 F CB 1.258 40.255 39.000 -0.005 0.000 1.286 431 F HN -0.079 nan 8.300 nan 0.000 0.530 432 D N 1.555 122.097 120.400 0.238 0.000 2.471 432 D HA 0.154 4.317 4.640 -0.794 0.000 0.245 432 D C 0.454 176.802 176.300 0.080 0.000 1.116 432 D CA -0.382 53.696 54.000 0.131 0.000 0.853 432 D CB 1.466 42.331 40.800 0.108 0.000 1.123 432 D HN 0.389 nan 8.370 nan 0.000 0.540 433 L N 4.923 126.150 121.223 0.008 0.000 2.093 433 L HA 0.061 3.924 4.340 -0.794 0.000 0.208 433 L C 1.986 178.766 176.870 -0.149 0.000 1.085 433 L CA 2.182 56.956 54.840 -0.110 0.000 0.755 433 L CB -0.641 41.267 42.059 -0.250 0.000 0.904 433 L HN 0.509 nan 8.230 nan 0.000 0.435 434 A N -0.468 122.321 122.820 -0.052 0.000 1.902 434 A HA -0.084 3.760 4.320 -0.794 0.000 0.217 434 A C 2.442 179.981 177.584 -0.076 0.000 1.181 434 A CA 1.788 53.800 52.037 -0.042 0.000 0.623 434 A CB -1.100 18.039 19.000 0.232 0.000 0.818 434 A HN 0.548 nan 8.150 nan 0.000 0.443 435 A N -0.169 122.652 122.820 0.002 0.000 1.898 435 A HA -0.013 3.830 4.320 -0.794 0.000 0.216 435 A C 2.103 179.654 177.584 -0.056 0.000 1.181 435 A CA 1.363 53.396 52.037 -0.006 0.000 0.620 435 A CB -0.591 18.414 19.000 0.009 0.000 0.819 435 A HN 0.478 nan 8.150 nan 0.000 0.442 436 I N 0.263 120.828 120.570 -0.008 0.000 2.163 436 I HA -0.342 3.351 4.170 -0.794 0.000 0.243 436 I C 2.296 178.455 176.117 0.070 0.000 1.085 436 I CA 1.757 63.119 61.300 0.104 0.000 1.347 436 I CB -0.628 37.477 38.000 0.175 0.000 1.044 436 I HN 0.456 nan 8.210 nan 0.000 0.408 437 N N 0.648 119.268 118.700 -0.134 0.000 2.061 437 N HA -0.201 4.063 4.740 -0.794 0.000 0.193 437 N C 1.967 177.447 175.510 -0.050 0.000 1.030 437 N CA 1.142 54.043 53.050 -0.248 0.000 0.856 437 N CB -0.134 37.720 38.487 -1.054 0.000 1.023 437 N HN 0.279 nan 8.380 nan 0.000 0.424 438 L N 0.649 121.842 121.223 -0.051 0.000 2.005 438 L HA -0.201 3.662 4.340 -0.794 0.000 0.207 438 L C 2.687 179.591 176.870 0.058 0.000 1.072 438 L CA 1.108 56.004 54.840 0.093 0.000 0.744 438 L CB -0.451 41.696 42.059 0.146 0.000 0.895 438 L HN 0.187 nan 8.230 nan 0.000 0.433 439 Q N 0.357 120.114 119.800 -0.071 0.000 2.077 439 Q HA -0.277 3.587 4.340 -0.794 0.000 0.206 439 Q C 2.203 178.236 176.000 0.056 0.000 0.989 439 Q CA 1.877 57.537 55.803 -0.239 0.000 0.853 439 Q CB -0.140 28.079 28.738 -0.864 0.000 0.907 439 Q HN 0.115 nan 8.270 nan 0.000 0.418 440 R N -0.937 119.725 120.500 0.270 0.000 2.115 440 R HA -0.043 3.820 4.340 -0.794 0.000 0.230 440 R C 2.172 178.777 176.300 0.509 0.000 1.111 440 R CA 1.494 57.962 56.100 0.613 0.000 0.976 440 R CB -0.986 29.699 30.300 0.641 0.000 0.870 440 R HN 0.433 nan 8.270 nan 0.000 0.445 441 C N -0.034 119.359 119.300 0.155 0.000 2.413 441 C HA -0.077 3.907 4.460 -0.794 0.000 0.276 441 C C 2.463 177.424 174.990 -0.048 0.000 1.248 441 C CA 1.203 59.999 59.018 -0.370 0.000 1.742 441 C CB -0.795 26.799 27.740 -0.243 0.000 2.017 441 C HN 0.516 nan 8.230 nan 0.000 0.481 442 R N 0.168 120.770 120.500 0.171 0.000 2.119 442 R HA -0.071 3.792 4.340 -0.794 0.000 0.222 442 R C 1.838 178.334 176.300 0.327 0.000 1.088 442 R CA 1.367 57.626 56.100 0.265 0.000 0.984 442 R CB -0.403 30.113 30.300 0.360 0.000 0.884 442 R HN 0.487 nan 8.270 nan 0.000 0.447 443 D N 0.292 120.962 120.400 0.451 0.000 2.144 443 D HA -0.173 3.990 4.640 -0.794 0.000 0.199 443 D C 1.459 178.001 176.300 0.403 0.000 0.984 443 D CA 1.316 55.604 54.000 0.479 0.000 0.834 443 D CB 0.015 41.207 40.800 0.652 0.000 0.955 443 D HN 0.352 nan 8.370 nan 0.000 0.465 444 H N -1.335 117.919 119.070 0.306 0.000 2.551 444 H HA 0.177 4.261 4.556 -0.787 0.000 0.266 444 H C 1.242 176.598 175.328 0.046 0.000 0.977 444 H CA 0.754 56.961 56.048 0.264 0.000 1.163 444 H CB 0.496 30.490 29.762 0.387 0.000 1.381 444 H HN 0.329 nan 8.280 nan 0.000 0.581 445 G N 1.256 110.026 108.800 -0.050 0.000 2.137 445 G HA2 -0.257 3.226 3.960 -0.794 0.000 0.237 445 G HA3 -0.257 3.226 3.960 -0.794 0.000 0.237 445 G C 0.345 175.114 174.900 -0.218 0.000 1.002 445 G CA 0.014 44.771 45.100 -0.570 0.000 0.702 445 G HN 0.076 nan 8.290 nan 0.000 0.515 446 M N 0.268 119.840 119.600 -0.047 0.000 2.219 446 M HA 0.101 4.104 4.480 -0.794 0.000 0.340 446 M C -1.554 174.806 176.300 0.100 0.000 1.135 446 M CA -0.882 54.448 55.300 0.050 0.000 0.976 446 M CB -0.680 31.881 32.600 -0.066 0.000 1.713 446 M HN 0.074 nan 8.290 nan 0.000 0.457 447 P HA 0.281 nan 4.420 nan 0.000 0.276 447 P C 0.222 177.592 177.300 0.118 0.000 1.261 447 P CA -0.408 62.701 63.100 0.015 0.000 0.800 447 P CB 0.481 31.998 31.700 -0.305 0.000 1.066 448 G N -0.939 107.878 108.800 0.028 0.000 2.611 448 G HA2 -0.032 3.451 3.960 -0.794 0.000 0.273 448 G HA3 -0.032 3.451 3.960 -0.794 0.000 0.273 448 G C 0.273 175.311 174.900 0.230 0.000 1.305 448 G CA -0.083 45.078 45.100 0.102 0.000 1.010 448 G HN 0.472 nan 8.290 nan 0.000 0.509 449 Y N 0.252 120.601 120.300 0.081 0.000 2.097 449 Y HA -0.222 3.849 4.550 -0.797 0.000 0.282 449 Y C 2.702 178.674 175.900 0.119 0.000 1.152 449 Y CA 2.587 60.752 58.100 0.110 0.000 1.136 449 Y CB -0.152 38.301 38.460 -0.013 0.000 0.975 449 Y HN 0.417 nan 8.280 nan 0.000 0.498 450 N N -0.448 118.259 118.700 0.011 0.000 2.188 450 N HA -0.159 4.105 4.740 -0.794 0.000 0.184 450 N C 2.093 177.544 175.510 -0.099 0.000 1.018 450 N CA 1.411 54.401 53.050 -0.100 0.000 0.858 450 N CB -0.591 37.899 38.487 0.005 0.000 0.989 450 N HN 0.300 nan 8.380 nan 0.000 0.426 451 S N -0.672 114.955 115.700 -0.122 0.000 2.419 451 S HA -0.089 3.905 4.470 -0.794 0.000 0.235 451 S C 1.487 175.918 174.600 -0.282 0.000 1.019 451 S CA 0.867 58.921 58.200 -0.245 0.000 0.982 451 S CB -0.154 62.812 63.200 -0.390 0.000 0.789 451 S HN 0.488 nan 8.310 nan 0.000 0.490 452 W N 0.980 122.259 121.300 -0.034 0.000 2.539 452 W HA 0.168 4.361 4.660 -0.779 0.000 0.281 452 W C 2.436 178.949 176.519 -0.009 0.000 1.220 452 W CA -0.445 56.900 57.345 -0.001 0.000 1.332 452 W CB -0.025 29.409 29.460 -0.043 0.000 1.095 452 W HN 0.020 nan 8.180 nan 0.000 0.571 453 R N 0.321 120.832 120.500 0.019 0.000 2.096 453 R HA -0.137 3.726 4.340 -0.794 0.000 0.240 453 R C 2.241 178.570 176.300 0.048 0.000 1.139 453 R CA 1.705 57.759 56.100 -0.077 0.000 0.952 453 R CB -1.571 28.560 30.300 -0.282 0.000 0.854 453 R HN 0.351 nan 8.270 nan 0.000 0.436 454 G N 0.503 109.325 108.800 0.037 0.000 2.453 454 G HA2 -0.306 3.177 3.960 -0.794 0.000 0.215 454 G HA3 -0.306 3.177 3.960 -0.794 0.000 0.215 454 G C 1.391 176.356 174.900 0.108 0.000 1.201 454 G CA 0.621 45.749 45.100 0.046 0.000 0.784 454 G HN 0.320 nan 8.290 nan 0.000 0.545 455 F N 1.173 121.133 119.950 0.017 0.000 2.106 455 F HA -0.280 3.772 4.527 -0.793 0.000 0.299 455 F C 2.210 178.084 175.800 0.123 0.000 1.082 455 F CA 1.798 59.848 58.000 0.084 0.000 1.244 455 F CB -0.316 38.820 39.000 0.227 0.000 0.997 455 F HN 0.188 nan 8.300 nan 0.000 0.486 456 c N 0.516 119.248 118.600 0.220 0.000 2.697 456 c HA 0.433 4.526 4.570 -0.794 0.000 0.267 456 c C 1.659 175.817 174.090 0.114 0.000 1.278 456 c CA 0.504 56.919 56.329 0.144 0.000 1.708 456 c CB -1.133 41.511 42.510 0.224 0.000 1.860 456 c HN 0.915 nan 8.230 nan 0.000 0.589 457 G N 1.327 110.164 108.800 0.060 0.000 2.198 457 G HA2 -0.219 3.265 3.960 -0.794 0.000 0.257 457 G HA3 -0.219 3.265 3.960 -0.794 0.000 0.257 457 G C -0.165 174.766 174.900 0.053 0.000 1.042 457 G CA 0.126 45.250 45.100 0.041 0.000 0.791 457 G HN 0.533 nan 8.290 nan 0.000 0.502 458 L N 0.184 121.439 121.223 0.053 0.000 2.331 458 L HA 0.701 4.564 4.340 -0.794 0.000 0.268 458 L C 1.410 178.290 176.870 0.017 0.000 1.015 458 L CA -0.604 54.261 54.840 0.041 0.000 0.807 458 L CB 1.414 43.499 42.059 0.044 0.000 1.293 458 L HN 0.367 nan 8.230 nan 0.000 0.451 459 S N -0.025 115.686 115.700 0.020 0.000 2.579 459 S HA 0.158 4.151 4.470 -0.794 0.000 0.275 459 S C -0.376 174.229 174.600 0.008 0.000 1.345 459 S CA -0.618 57.593 58.200 0.018 0.000 1.031 459 S CB 0.537 63.754 63.200 0.029 0.000 0.892 459 S HN 0.589 nan 8.310 nan 0.000 0.529 460 Q N 1.754 121.562 119.800 0.013 0.000 2.607 460 Q HA 0.344 4.208 4.340 -0.794 0.000 0.247 460 Q C -2.508 173.520 176.000 0.046 0.000 1.033 460 Q CA -1.940 53.871 55.803 0.014 0.000 0.769 460 Q CB 1.072 29.810 28.738 -0.001 0.000 1.169 460 Q HN 0.569 nan 8.270 nan 0.000 0.508 461 P HA -0.037 nan 4.420 nan 0.000 0.267 461 P C -0.189 177.152 177.300 0.068 0.000 1.200 461 P CA -0.050 63.095 63.100 0.076 0.000 0.772 461 P CB 1.140 32.900 31.700 0.100 0.000 0.855 462 K N 0.008 120.437 120.400 0.049 0.000 2.481 462 K HA 0.166 4.009 4.320 -0.794 0.000 0.210 462 K C 0.678 177.298 176.600 0.033 0.000 1.161 462 K CA 0.456 56.769 56.287 0.043 0.000 1.023 462 K CB 0.498 33.022 32.500 0.039 0.000 0.971 462 K HN 0.629 nan 8.250 nan 0.000 0.577 463 T N -2.545 112.026 114.554 0.028 0.000 2.906 463 T HA 0.376 4.249 4.350 -0.794 0.000 0.295 463 T C 1.043 175.750 174.700 0.012 0.000 1.075 463 T CA -0.816 61.295 62.100 0.018 0.000 1.005 463 T CB 1.763 70.643 68.868 0.019 0.000 1.136 463 T HN -0.075 nan 8.240 nan 0.000 0.498 464 L N 0.276 121.501 121.223 0.003 0.000 2.081 464 L HA -0.089 3.775 4.340 -0.794 0.000 0.212 464 L C 2.506 179.378 176.870 0.004 0.000 1.080 464 L CA 1.719 56.558 54.840 -0.001 0.000 0.754 464 L CB -0.281 41.775 42.059 -0.005 0.000 0.893 464 L HN 0.740 nan 8.230 nan 0.000 0.433 465 K N -0.009 120.396 120.400 0.008 0.000 2.103 465 K HA -0.064 3.780 4.320 -0.794 0.000 0.204 465 K C 1.827 178.437 176.600 0.016 0.000 1.052 465 K CA 1.329 57.622 56.287 0.011 0.000 0.945 465 K CB -0.608 31.899 32.500 0.011 0.000 0.722 465 K HN 0.377 nan 8.250 nan 0.000 0.443 466 G N 0.527 109.339 108.800 0.021 0.000 2.402 466 G HA2 -0.211 3.273 3.960 -0.794 0.000 0.216 466 G HA3 -0.211 3.273 3.960 -0.794 0.000 0.216 466 G C 1.431 176.353 174.900 0.037 0.000 1.162 466 G CA 0.785 45.903 45.100 0.030 0.000 0.777 466 G HN 0.284 nan 8.290 nan 0.000 0.539 467 L N 0.290 121.532 121.223 0.031 0.000 2.017 467 L HA -0.044 3.820 4.340 -0.794 0.000 0.208 467 L C 3.005 179.883 176.870 0.013 0.000 1.073 467 L CA 1.905 56.759 54.840 0.024 0.000 0.745 467 L CB -0.638 41.417 42.059 -0.007 0.000 0.894 467 L HN 0.289 nan 8.230 nan 0.000 0.432 468 Q N -0.977 118.827 119.800 0.007 0.000 2.065 468 Q HA -0.360 3.504 4.340 -0.794 0.000 0.213 468 Q C 2.155 178.161 176.000 0.011 0.000 1.012 468 Q CA 2.449 58.255 55.803 0.005 0.000 0.876 468 Q CB -0.504 28.238 28.738 0.006 0.000 0.954 468 Q HN 0.706 nan 8.270 nan 0.000 0.413 469 A N -0.262 122.569 122.820 0.018 0.000 1.969 469 A HA -0.117 3.726 4.320 -0.794 0.000 0.218 469 A C 2.238 179.840 177.584 0.029 0.000 1.169 469 A CA 1.420 53.470 52.037 0.022 0.000 0.635 469 A CB -0.431 18.583 19.000 0.023 0.000 0.810 469 A HN 0.248 nan 8.150 nan 0.000 0.445 470 V N -0.667 119.272 119.914 0.041 0.000 2.323 470 V HA -0.150 3.493 4.120 -0.794 0.000 0.244 470 V C 2.213 178.334 176.094 0.045 0.000 1.041 470 V CA 1.552 63.888 62.300 0.060 0.000 1.025 470 V CB -0.613 31.274 31.823 0.107 0.000 0.656 470 V HN 0.449 nan 8.190 nan 0.000 0.451 471 L N -0.350 120.888 121.223 0.024 0.000 2.554 471 L HA 0.161 4.024 4.340 -0.794 0.000 0.226 471 L C 1.168 178.038 176.870 0.000 0.000 1.137 471 L CA 0.688 55.530 54.840 0.002 0.000 0.863 471 L CB -1.242 40.801 42.059 -0.026 0.000 0.985 471 L HN 0.368 nan 8.230 nan 0.000 0.451 472 K N 1.226 121.631 120.400 0.007 0.000 3.177 472 K HA -0.248 3.595 4.320 -0.794 0.000 0.266 472 K C -0.029 176.570 176.600 -0.001 0.000 0.937 472 K CA 0.533 56.823 56.287 0.004 0.000 0.702 472 K CB -1.490 31.013 32.500 0.005 0.000 1.365 472 K HN 0.360 nan 8.250 nan 0.000 0.466 473 N N 0.174 118.872 118.700 -0.003 0.000 2.777 473 N HA 0.115 4.379 4.740 -0.794 0.000 0.260 473 N C 0.025 175.531 175.510 -0.006 0.000 1.113 473 N CA -0.549 52.497 53.050 -0.006 0.000 0.996 473 N CB 1.207 39.687 38.487 -0.011 0.000 1.584 473 N HN -0.024 nan 8.380 nan 0.000 0.573 474 K N 1.124 121.523 120.400 -0.003 0.000 2.007 474 K HA 0.013 3.856 4.320 -0.794 0.000 0.206 474 K C 1.622 178.221 176.600 -0.003 0.000 1.047 474 K CA 1.459 57.745 56.287 -0.002 0.000 0.937 474 K CB 0.090 32.590 32.500 0.001 0.000 0.718 474 K HN 0.298 nan 8.250 nan 0.000 0.438 475 V N 1.896 121.809 119.914 -0.001 0.000 2.332 475 V HA -0.247 3.396 4.120 -0.794 0.000 0.248 475 V C 2.219 178.313 176.094 0.001 0.000 1.055 475 V CA 1.500 63.801 62.300 0.002 0.000 1.038 475 V CB -0.523 31.303 31.823 0.005 0.000 0.651 475 V HN 0.259 nan 8.190 nan 0.000 0.450 476 L N 1.211 122.432 121.223 -0.004 0.000 1.994 476 L HA -0.050 3.813 4.340 -0.794 0.000 0.208 476 L C 2.489 179.350 176.870 -0.015 0.000 1.071 476 L CA 2.385 57.220 54.840 -0.009 0.000 0.745 476 L CB -1.129 40.918 42.059 -0.020 0.000 0.892 476 L HN 0.209 nan 8.230 nan 0.000 0.431 477 A N -0.787 122.021 122.820 -0.020 0.000 1.978 477 A HA -0.277 3.566 4.320 -0.794 0.000 0.220 477 A C 2.465 180.040 177.584 -0.014 0.000 1.170 477 A CA 2.087 54.109 52.037 -0.025 0.000 0.636 477 A CB -0.608 18.380 19.000 -0.019 0.000 0.810 477 A HN 0.549 nan 8.150 nan 0.000 0.448 478 K N -0.339 120.057 120.400 -0.007 0.000 2.076 478 K HA -0.046 3.798 4.320 -0.794 0.000 0.204 478 K C 1.956 178.556 176.600 0.001 0.000 1.051 478 K CA 1.249 57.534 56.287 -0.004 0.000 0.949 478 K CB -0.124 32.374 32.500 -0.002 0.000 0.726 478 K HN 0.407 nan 8.250 nan 0.000 0.443 479 K N 0.372 120.776 120.400 0.007 0.000 2.097 479 K HA -0.110 3.733 4.320 -0.794 0.000 0.205 479 K C 1.937 178.558 176.600 0.035 0.000 1.050 479 K CA 0.718 57.014 56.287 0.016 0.000 0.938 479 K CB -0.014 32.499 32.500 0.021 0.000 0.718 479 K HN 0.056 nan 8.250 nan 0.000 0.442 480 L N 0.940 122.188 121.223 0.043 0.000 2.056 480 L HA -0.084 3.779 4.340 -0.794 0.000 0.207 480 L C 1.859 178.811 176.870 0.137 0.000 1.078 480 L CA 1.561 56.463 54.840 0.103 0.000 0.749 480 L CB -0.444 41.621 42.059 0.010 0.000 0.901 480 L HN 0.179 nan 8.230 nan 0.000 0.433 481 L N -1.358 119.891 121.223 0.043 0.000 2.270 481 L HA -0.102 3.761 4.340 -0.794 0.000 0.210 481 L C 1.871 178.726 176.870 -0.026 0.000 1.104 481 L CA 0.394 55.240 54.840 0.011 0.000 0.804 481 L CB -0.427 41.617 42.059 -0.025 0.000 0.937 481 L HN 0.169 nan 8.230 nan 0.000 0.450 482 D N 0.339 120.726 120.400 -0.022 0.000 2.221 482 D HA -0.156 4.008 4.640 -0.794 0.000 0.204 482 D C 2.199 178.459 176.300 -0.067 0.000 0.982 482 D CA 1.237 55.212 54.000 -0.042 0.000 0.857 482 D CB 0.110 40.895 40.800 -0.026 0.000 0.934 482 D HN 0.276 nan 8.370 nan 0.000 0.475 483 L N -1.629 119.552 121.223 -0.070 0.000 2.316 483 L HA 0.013 3.876 4.340 -0.794 0.000 0.207 483 L C 1.535 178.243 176.870 -0.270 0.000 1.070 483 L CA 0.403 55.136 54.840 -0.179 0.000 0.820 483 L CB 0.038 41.953 42.059 -0.241 0.000 0.992 483 L HN -0.014 nan 8.230 nan 0.000 0.466 484 Y N -0.592 119.655 120.300 -0.088 0.000 2.497 484 Y HA 0.041 4.114 4.550 -0.795 0.000 0.265 484 Y C 1.265 177.033 175.900 -0.220 0.000 1.111 484 Y CA -0.285 57.754 58.100 -0.102 0.000 1.288 484 Y CB 0.414 38.829 38.460 -0.075 0.000 1.082 484 Y HN -0.059 nan 8.280 nan 0.000 0.536 485 K N -0.500 119.788 120.400 -0.187 0.000 3.564 485 K HA -0.257 3.586 4.320 -0.794 0.000 0.278 485 K C 0.394 176.699 176.600 -0.491 0.000 1.048 485 K CA 1.734 57.704 56.287 -0.527 0.000 1.109 485 K CB -1.777 30.026 32.500 -1.162 0.000 1.405 485 K HN 0.390 nan 8.250 nan 0.000 0.452 486 T N -1.032 113.384 114.554 -0.230 0.000 2.982 486 T HA 0.458 4.331 4.350 -0.794 0.000 0.321 486 T C -2.596 172.099 174.700 -0.008 0.000 1.229 486 T CA -1.240 60.813 62.100 -0.079 0.000 1.044 486 T CB 2.172 71.052 68.868 0.021 0.000 1.184 486 T HN -0.259 nan 8.240 nan 0.000 0.477 487 P HA -0.010 nan 4.420 nan 0.000 0.223 487 P C 0.761 178.097 177.300 0.061 0.000 1.144 487 P CA 0.796 63.907 63.100 0.019 0.000 0.783 487 P CB 0.171 31.915 31.700 0.074 0.000 0.771 488 D N -1.085 119.350 120.400 0.058 0.000 2.178 488 D HA -0.114 4.049 4.640 -0.794 0.000 0.201 488 D C 1.475 177.789 176.300 0.023 0.000 0.980 488 D CA 1.057 55.087 54.000 0.052 0.000 0.842 488 D CB -0.609 40.219 40.800 0.048 0.000 0.948 488 D HN 0.134 nan 8.370 nan 0.000 0.472 489 N N -0.019 118.693 118.700 0.020 0.000 2.424 489 N HA 0.072 4.335 4.740 -0.794 0.000 0.178 489 N C 0.383 175.846 175.510 -0.077 0.000 1.060 489 N CA -0.051 53.019 53.050 0.033 0.000 0.901 489 N CB 0.268 38.850 38.487 0.158 0.000 0.979 489 N HN 0.239 nan 8.380 nan 0.000 0.451 490 I N 1.981 122.297 120.570 -0.424 0.000 2.826 490 I HA -0.123 3.570 4.170 -0.794 0.000 0.295 490 I C 0.243 176.120 176.117 -0.399 0.000 1.213 490 I CA 0.387 61.056 61.300 -1.052 0.000 1.436 490 I CB 0.213 37.733 38.000 -0.801 0.000 1.348 490 I HN -0.050 nan 8.210 nan 0.000 0.570 491 D N 5.866 126.093 120.400 -0.287 0.000 2.424 491 D HA -0.023 4.141 4.640 -0.794 0.000 0.244 491 D C 1.136 177.478 176.300 0.070 0.000 1.134 491 D CA -0.117 53.905 54.000 0.036 0.000 0.881 491 D CB 1.441 42.356 40.800 0.191 0.000 1.191 491 D HN 0.448 nan 8.370 nan 0.000 0.445 492 I N 2.953 123.593 120.570 0.117 0.000 2.248 492 I HA -0.245 3.449 4.170 -0.794 0.000 0.248 492 I C 1.830 178.025 176.117 0.131 0.000 1.107 492 I CA 1.436 62.814 61.300 0.130 0.000 1.373 492 I CB -0.213 37.798 38.000 0.018 0.000 1.055 492 I HN 0.616 nan 8.210 nan 0.000 0.418 493 W N 0.603 121.910 121.300 0.011 0.000 2.353 493 W HA -0.221 3.952 4.660 -0.812 0.000 0.319 493 W C 2.449 179.010 176.519 0.071 0.000 1.207 493 W CA 2.036 59.424 57.345 0.072 0.000 1.291 493 W CB -0.441 29.099 29.460 0.133 0.000 1.159 493 W HN 0.164 nan 8.180 nan 0.000 0.478 494 I N 0.701 121.251 120.570 -0.034 0.000 2.333 494 I HA -0.049 3.644 4.170 -0.794 0.000 0.246 494 I C 2.246 178.207 176.117 -0.260 0.000 1.106 494 I CA 1.863 62.991 61.300 -0.286 0.000 1.411 494 I CB -1.490 36.514 38.000 0.007 0.000 1.082 494 I HN 0.172 nan 8.210 nan 0.000 0.420 495 G N 0.385 109.060 108.800 -0.208 0.000 2.440 495 G HA2 -0.250 3.234 3.960 -0.794 0.000 0.218 495 G HA3 -0.250 3.234 3.960 -0.794 0.000 0.218 495 G C 1.617 176.426 174.900 -0.152 0.000 1.154 495 G CA 0.826 45.708 45.100 -0.363 0.000 0.767 495 G HN 0.505 nan 8.290 nan 0.000 0.552 496 G N 0.668 109.473 108.800 0.008 0.000 2.404 496 G HA2 -0.177 3.306 3.960 -0.794 0.000 0.215 496 G HA3 -0.177 3.306 3.960 -0.794 0.000 0.215 496 G C 1.667 176.532 174.900 -0.057 0.000 1.174 496 G CA 0.950 46.082 45.100 0.053 0.000 0.780 496 G HN 0.508 nan 8.290 nan 0.000 0.537 497 N N 0.648 119.229 118.700 -0.197 0.000 2.459 497 N HA 0.136 4.400 4.740 -0.794 0.000 0.181 497 N C 2.153 177.569 175.510 -0.156 0.000 1.046 497 N CA 0.725 53.649 53.050 -0.210 0.000 0.904 497 N CB -0.014 38.230 38.487 -0.406 0.000 0.964 497 N HN 0.325 nan 8.380 nan 0.000 0.444 498 A N 0.621 123.344 122.820 -0.161 0.000 2.119 498 A HA -0.025 3.819 4.320 -0.794 0.000 0.216 498 A C 0.633 178.172 177.584 -0.074 0.000 1.152 498 A CA 0.468 52.430 52.037 -0.126 0.000 0.708 498 A CB -0.063 18.838 19.000 -0.165 0.000 0.805 498 A HN 0.265 nan 8.150 nan 0.000 0.460 499 E N 0.865 121.041 120.200 -0.041 0.000 2.398 499 E HA 0.224 4.098 4.350 -0.794 0.000 0.263 499 E C -2.394 174.201 176.600 -0.009 0.000 1.046 499 E CA -1.765 54.636 56.400 0.002 0.000 0.908 499 E CB 0.045 29.776 29.700 0.052 0.000 0.963 499 E HN 0.224 nan 8.360 nan 0.000 0.431 500 P HA 0.014 nan 4.420 nan 0.000 0.272 500 P C -0.500 176.796 177.300 -0.007 0.000 1.223 500 P CA 0.179 63.275 63.100 -0.006 0.000 0.784 500 P CB 0.523 32.223 31.700 -0.000 0.000 0.923 501 M N 1.390 120.982 119.600 -0.014 0.000 2.233 501 M HA 0.161 4.164 4.480 -0.794 0.000 0.350 501 M C 0.488 176.779 176.300 -0.015 0.000 1.176 501 M CA -0.646 54.641 55.300 -0.022 0.000 1.150 501 M CB 0.569 33.154 32.600 -0.025 0.000 1.530 501 M HN 0.151 nan 8.290 nan 0.000 0.459 502 V N 0.135 120.039 119.914 -0.016 0.000 3.237 502 V HA 0.168 3.812 4.120 -0.794 0.000 0.305 502 V C 0.296 176.382 176.094 -0.015 0.000 1.096 502 V CA -0.793 61.504 62.300 -0.005 0.000 1.130 502 V CB 0.493 32.320 31.823 0.007 0.000 1.048 502 V HN 0.936 nan 8.190 nan 0.000 0.484 503 E N 2.590 122.785 120.200 -0.009 0.000 2.493 503 E HA 0.052 3.925 4.350 -0.794 0.000 0.255 503 E C 0.501 177.085 176.600 -0.027 0.000 0.999 503 E CA 0.380 56.770 56.400 -0.016 0.000 0.934 503 E CB -0.024 29.670 29.700 -0.010 0.000 0.940 503 E HN 0.733 nan 8.360 nan 0.000 0.473 504 R N 1.139 121.617 120.500 -0.038 0.000 3.951 504 R HA -0.194 3.669 4.340 -0.794 0.000 0.352 504 R C 0.267 176.522 176.300 -0.075 0.000 1.178 504 R CA 0.681 56.748 56.100 -0.056 0.000 0.949 504 R CB -2.125 28.144 30.300 -0.051 0.000 1.452 504 R HN 0.625 nan 8.270 nan 0.000 0.540 505 G N -0.721 108.039 108.800 -0.068 0.000 3.175 505 G HA2 0.605 4.089 3.960 -0.794 0.000 0.255 505 G HA3 0.605 4.089 3.960 -0.794 0.000 0.255 505 G C 0.248 175.102 174.900 -0.078 0.000 1.352 505 G CA -0.600 44.449 45.100 -0.086 0.000 1.037 505 G HN 0.007 nan 8.290 nan 0.000 0.556 506 R N -0.688 119.761 120.500 -0.086 0.000 2.590 506 R HA 0.293 4.156 4.340 -0.794 0.000 0.410 506 R C -0.042 176.173 176.300 -0.142 0.000 1.010 506 R CA -0.030 56.044 56.100 -0.043 0.000 1.155 506 R CB 0.266 30.648 30.300 0.138 0.000 1.455 506 R HN 0.564 nan 8.270 nan 0.000 0.567 507 V N -4.443 115.357 119.914 -0.189 0.000 3.182 507 V HA 0.959 4.603 4.120 -0.794 0.000 0.308 507 V C 0.108 176.137 176.094 -0.109 0.000 1.240 507 V CA -0.943 61.231 62.300 -0.209 0.000 1.063 507 V CB 1.739 33.340 31.823 -0.369 0.000 1.076 507 V HN 0.038 nan 8.190 nan 0.000 0.446 508 G N -0.683 108.073 108.800 -0.073 0.000 2.642 508 G HA2 0.655 4.139 3.960 -0.794 0.000 0.291 508 G HA3 0.655 4.139 3.960 -0.794 0.000 0.291 508 G C -2.119 172.781 174.900 0.000 0.000 1.345 508 G CA -1.222 43.865 45.100 -0.022 0.000 1.043 508 G HN 0.607 nan 8.290 nan 0.000 0.528 509 P HA -0.150 nan 4.420 nan 0.000 0.214 509 P C 2.134 179.468 177.300 0.057 0.000 1.169 509 P CA 0.822 63.965 63.100 0.072 0.000 0.908 509 P CB 0.086 31.833 31.700 0.079 0.000 0.791 510 L N -1.589 119.664 121.223 0.050 0.000 2.046 510 L HA -0.138 3.725 4.340 -0.794 0.000 0.208 510 L C 2.131 178.994 176.870 -0.011 0.000 1.077 510 L CA 1.915 56.776 54.840 0.037 0.000 0.747 510 L CB -1.503 40.588 42.059 0.054 0.000 0.896 510 L HN -0.138 nan 8.230 nan 0.000 0.432 511 L N -0.156 121.052 121.223 -0.025 0.000 2.056 511 L HA -0.031 3.832 4.340 -0.794 0.000 0.207 511 L C 2.681 179.489 176.870 -0.103 0.000 1.078 511 L CA 1.912 56.714 54.840 -0.062 0.000 0.749 511 L CB -1.560 40.455 42.059 -0.074 0.000 0.901 511 L HN 0.351 nan 8.230 nan 0.000 0.433 512 A N -1.575 121.182 122.820 -0.105 0.000 1.948 512 A HA -0.315 3.528 4.320 -0.794 0.000 0.220 512 A C 2.603 179.985 177.584 -0.337 0.000 1.177 512 A CA 1.916 53.879 52.037 -0.124 0.000 0.636 512 A CB -1.400 17.596 19.000 -0.006 0.000 0.815 512 A HN 0.610 nan 8.150 nan 0.000 0.449 513 c N -0.657 117.704 118.600 -0.398 0.000 2.489 513 c HA 0.035 4.129 4.570 -0.794 0.000 0.279 513 c C 2.597 176.342 174.090 -0.575 0.000 1.266 513 c CA 1.097 56.903 56.329 -0.873 0.000 1.707 513 c CB -1.509 40.752 42.510 -0.414 0.000 2.059 513 c HN 0.581 nan 8.230 nan 0.000 0.481 514 L N 0.624 121.745 121.223 -0.169 0.000 1.994 514 L HA -0.143 3.720 4.340 -0.794 0.000 0.208 514 L C 2.747 179.697 176.870 0.134 0.000 1.071 514 L CA 1.630 56.509 54.840 0.065 0.000 0.745 514 L CB -0.732 41.310 42.059 -0.029 0.000 0.892 514 L HN 0.412 nan 8.230 nan 0.000 0.431 515 L N -0.555 120.700 121.223 0.054 0.000 2.017 515 L HA -0.150 3.713 4.340 -0.794 0.000 0.208 515 L C 2.728 179.729 176.870 0.218 0.000 1.073 515 L CA 1.483 56.436 54.840 0.188 0.000 0.745 515 L CB -1.347 40.786 42.059 0.123 0.000 0.894 515 L HN 0.339 nan 8.230 nan 0.000 0.432 516 G N -0.098 108.716 108.800 0.024 0.000 2.514 516 G HA2 -0.294 3.189 3.960 -0.794 0.000 0.217 516 G HA3 -0.294 3.189 3.960 -0.794 0.000 0.217 516 G C 1.676 176.674 174.900 0.163 0.000 1.198 516 G CA 0.864 46.019 45.100 0.091 0.000 0.780 516 G HN 0.264 nan 8.290 nan 0.000 0.565 517 R N -0.239 120.262 120.500 0.001 0.000 2.112 517 R HA -0.185 3.678 4.340 -0.794 0.000 0.242 517 R C 2.710 179.104 176.300 0.157 0.000 1.137 517 R CA 1.922 58.069 56.100 0.078 0.000 0.944 517 R CB -0.471 29.768 30.300 -0.101 0.000 0.857 517 R HN 0.445 nan 8.270 nan 0.000 0.435 518 Q N 0.144 120.067 119.800 0.206 0.000 2.061 518 Q HA -0.163 3.701 4.340 -0.794 0.000 0.204 518 Q C 1.735 177.652 176.000 -0.138 0.000 0.984 518 Q CA 1.834 57.619 55.803 -0.031 0.000 0.846 518 Q CB -0.247 28.157 28.738 -0.557 0.000 0.902 518 Q HN 0.244 nan 8.270 nan 0.000 0.421 519 F N 0.548 120.530 119.950 0.052 0.000 2.234 519 F HA -0.095 3.935 4.527 -0.828 0.000 0.299 519 F C 2.433 178.400 175.800 0.278 0.000 1.087 519 F CA 1.340 59.429 58.000 0.148 0.000 1.340 519 F CB -0.474 38.550 39.000 0.039 0.000 1.031 519 F HN 0.276 nan 8.300 nan 0.000 0.500 520 Q N 0.735 120.763 119.800 0.380 0.000 2.170 520 Q HA -0.208 3.656 4.340 -0.794 0.000 0.203 520 Q C 1.788 177.893 176.000 0.175 0.000 0.976 520 Q CA 1.613 57.583 55.803 0.278 0.000 0.858 520 Q CB -0.151 28.740 28.738 0.254 0.000 0.907 520 Q HN 0.519 nan 8.270 nan 0.000 0.433 521 Q N 0.061 119.953 119.800 0.153 0.000 2.096 521 Q HA -0.079 3.784 4.340 -0.794 0.000 0.197 521 Q C 2.200 178.277 176.000 0.128 0.000 0.964 521 Q CA 1.291 57.166 55.803 0.119 0.000 0.838 521 Q CB -0.192 28.615 28.738 0.114 0.000 0.906 521 Q HN 0.508 nan 8.270 nan 0.000 0.444 522 I N -1.258 119.388 120.570 0.127 0.000 2.614 522 I HA -0.162 3.532 4.170 -0.794 0.000 0.258 522 I C 2.238 178.484 176.117 0.215 0.000 1.189 522 I CA 1.338 62.744 61.300 0.176 0.000 1.462 522 I CB -0.329 37.769 38.000 0.163 0.000 1.092 522 I HN -0.016 nan 8.210 nan 0.000 0.442 523 R N 1.255 121.772 120.500 0.028 0.000 2.066 523 R HA -0.089 3.775 4.340 -0.794 0.000 0.224 523 R C 1.462 177.616 176.300 -0.244 0.000 1.122 523 R CA 1.644 57.449 56.100 -0.491 0.000 0.974 523 R CB -0.399 29.307 30.300 -0.990 0.000 0.871 523 R HN 0.324 nan 8.270 nan 0.000 0.435 524 D N -0.351 120.045 120.400 -0.007 0.000 2.219 524 D HA -0.048 4.115 4.640 -0.794 0.000 0.205 524 D C 1.429 177.869 176.300 0.232 0.000 0.970 524 D CA 1.355 55.433 54.000 0.131 0.000 0.851 524 D CB -0.193 40.653 40.800 0.076 0.000 0.943 524 D HN 0.506 nan 8.370 nan 0.000 0.488 525 G N -0.415 108.548 108.800 0.272 0.000 3.088 525 G HA2 -0.054 3.429 3.960 -0.794 0.000 0.217 525 G HA3 -0.054 3.429 3.960 -0.794 0.000 0.217 525 G C 0.063 175.347 174.900 0.640 0.000 1.159 525 G CA -0.238 45.101 45.100 0.399 0.000 0.760 525 G HN 0.029 nan 8.290 nan 0.000 0.550 526 D N 0.197 120.919 120.400 0.537 0.000 2.359 526 D HA 0.187 4.350 4.640 -0.794 0.000 0.230 526 D C 1.482 177.823 176.300 0.069 0.000 1.118 526 D CA -0.706 53.535 54.000 0.403 0.000 0.844 526 D CB 1.107 42.226 40.800 0.532 0.000 1.059 526 D HN 0.085 nan 8.370 nan 0.000 0.493 527 R N 2.835 123.115 120.500 -0.368 0.000 2.193 527 R HA -0.062 3.802 4.340 -0.794 0.000 0.229 527 R C 0.578 176.525 176.300 -0.588 0.000 1.110 527 R CA 1.148 56.660 56.100 -0.980 0.000 0.988 527 R CB -0.035 29.677 30.300 -0.981 0.000 0.871 527 R HN 0.389 nan 8.270 nan 0.000 0.458 528 F N -0.595 119.242 119.950 -0.188 0.000 2.639 528 F HA 0.169 4.219 4.527 -0.794 0.000 0.302 528 F C 0.406 176.262 175.800 0.094 0.000 1.097 528 F CA -0.847 57.104 58.000 -0.082 0.000 1.294 528 F CB -0.045 38.885 39.000 -0.116 0.000 1.027 528 F HN 0.084 nan 8.300 nan 0.000 0.550 529 W N 2.883 124.246 121.300 0.105 0.000 2.377 529 W HA -0.196 3.982 4.660 -0.804 0.000 0.341 529 W C 1.284 177.896 176.519 0.155 0.000 1.240 529 W CA -0.160 57.249 57.345 0.106 0.000 1.311 529 W CB 0.421 29.832 29.460 -0.081 0.000 1.175 529 W HN 0.500 nan 8.180 nan 0.000 0.571 530 W N 4.111 125.082 121.300 -0.548 0.000 2.525 530 W HA -0.105 4.079 4.660 -0.794 0.000 0.259 530 W C 0.848 177.372 176.519 0.009 0.000 1.253 530 W CA 1.131 58.422 57.345 -0.089 0.000 1.262 530 W CB -0.705 28.584 29.460 -0.284 0.000 1.122 530 W HN 0.480 nan 8.180 nan 0.000 0.607 531 E N 0.621 120.190 120.200 -1.051 0.000 2.400 531 E HA -0.086 3.787 4.350 -0.794 0.000 0.195 531 E C 0.252 176.864 176.600 0.020 0.000 1.012 531 E CA -0.239 55.731 56.400 -0.718 0.000 0.875 531 E CB -0.178 29.064 29.700 -0.765 0.000 0.859 531 E HN -0.020 nan 8.360 nan 0.000 0.498 532 N N 2.411 121.250 118.700 0.231 0.000 2.440 532 N HA 0.002 4.265 4.740 -0.794 0.000 0.265 532 N C -2.656 172.906 175.510 0.088 0.000 1.239 532 N CA -1.336 51.877 53.050 0.271 0.000 0.909 532 N CB 0.578 39.213 38.487 0.247 0.000 1.066 532 N HN -0.235 nan 8.380 nan 0.000 0.474 533 P HA 0.068 nan 4.420 nan 0.000 0.260 533 P C 0.702 177.984 177.300 -0.032 0.000 1.172 533 P CA 0.793 63.900 63.100 0.011 0.000 0.760 533 P CB 0.451 32.153 31.700 0.004 0.000 0.773 534 G N 1.275 110.050 108.800 -0.043 0.000 2.313 534 G HA2 -0.293 3.190 3.960 -0.794 0.000 0.215 534 G HA3 -0.293 3.190 3.960 -0.794 0.000 0.215 534 G C 1.026 175.844 174.900 -0.136 0.000 1.023 534 G CA 0.149 45.195 45.100 -0.089 0.000 0.626 534 G HN 0.363 nan 8.290 nan 0.000 0.503 535 V N 0.446 120.267 119.914 -0.155 0.000 2.261 535 V HA 0.221 3.865 4.120 -0.794 0.000 0.246 535 V C 1.464 177.302 176.094 -0.427 0.000 1.047 535 V CA 2.162 64.294 62.300 -0.280 0.000 1.015 535 V CB -0.529 31.157 31.823 -0.227 0.000 0.642 535 V HN 0.324 nan 8.190 nan 0.000 0.446 536 F N -0.812 119.155 119.950 0.027 0.000 2.618 536 F HA 0.542 4.591 4.527 -0.797 0.000 0.332 536 F C 0.598 176.368 175.800 -0.049 0.000 1.061 536 F CA -0.692 57.312 58.000 0.006 0.000 0.974 536 F CB 1.436 40.484 39.000 0.080 0.000 1.310 536 F HN -0.090 nan 8.300 nan 0.000 0.491 537 T N -2.668 111.947 114.554 0.102 0.000 2.918 537 T HA 0.273 4.146 4.350 -0.794 0.000 0.283 537 T C 0.825 175.534 174.700 0.015 0.000 1.001 537 T CA -0.604 61.501 62.100 0.009 0.000 1.041 537 T CB 1.483 70.314 68.868 -0.061 0.000 1.028 537 T HN 0.715 nan 8.240 nan 0.000 0.511 538 E N 0.810 121.016 120.200 0.009 0.000 2.119 538 E HA -0.310 3.563 4.350 -0.794 0.000 0.221 538 E C 2.030 178.633 176.600 0.005 0.000 1.062 538 E CA 2.047 58.455 56.400 0.013 0.000 0.894 538 E CB -0.154 29.549 29.700 0.005 0.000 0.785 538 E HN 0.678 nan 8.360 nan 0.000 0.472 539 K N 0.140 120.524 120.400 -0.027 0.000 2.063 539 K HA -0.203 3.640 4.320 -0.794 0.000 0.208 539 K C 2.347 178.895 176.600 -0.086 0.000 1.048 539 K CA 1.478 57.739 56.287 -0.043 0.000 0.928 539 K CB -0.061 32.406 32.500 -0.055 0.000 0.713 539 K HN 0.181 nan 8.250 nan 0.000 0.442 540 Q N -0.122 119.563 119.800 -0.191 0.000 2.079 540 Q HA -0.114 3.750 4.340 -0.794 0.000 0.200 540 Q C 2.145 178.092 176.000 -0.089 0.000 0.974 540 Q CA 1.215 56.791 55.803 -0.379 0.000 0.840 540 Q CB 0.012 28.393 28.738 -0.595 0.000 0.898 540 Q HN 0.217 nan 8.270 nan 0.000 0.430 541 R N 0.670 121.186 120.500 0.027 0.000 2.083 541 R HA -0.164 3.699 4.340 -0.794 0.000 0.237 541 R C 1.950 178.355 176.300 0.176 0.000 1.137 541 R CA 1.462 57.660 56.100 0.164 0.000 0.951 541 R CB -0.347 30.066 30.300 0.189 0.000 0.851 541 R HN 0.358 nan 8.270 nan 0.000 0.434 542 D N -0.047 120.420 120.400 0.112 0.000 2.133 542 D HA -0.157 4.007 4.640 -0.794 0.000 0.195 542 D C 1.827 178.184 176.300 0.096 0.000 0.997 542 D CA 1.393 55.454 54.000 0.101 0.000 0.840 542 D CB 0.054 40.893 40.800 0.065 0.000 0.947 542 D HN 0.096 nan 8.370 nan 0.000 0.452 543 S N -0.492 115.268 115.700 0.101 0.000 2.406 543 S HA -0.024 3.970 4.470 -0.794 0.000 0.228 543 S C 2.171 176.834 174.600 0.106 0.000 1.020 543 S CA 0.275 58.550 58.200 0.126 0.000 0.965 543 S CB -0.045 63.283 63.200 0.214 0.000 0.798 543 S HN 0.214 nan 8.310 nan 0.000 0.488 544 L N 0.829 122.108 121.223 0.093 0.000 2.291 544 L HA 0.030 3.893 4.340 -0.794 0.000 0.214 544 L C 2.471 179.272 176.870 -0.115 0.000 1.120 544 L CA 0.764 55.589 54.840 -0.025 0.000 0.799 544 L CB -0.299 41.682 42.059 -0.129 0.000 0.925 544 L HN 0.352 nan 8.230 nan 0.000 0.446 545 Q N -0.295 119.495 119.800 -0.018 0.000 2.437 545 Q HA -0.167 3.696 4.340 -0.794 0.000 0.210 545 Q C 1.668 177.659 176.000 -0.013 0.000 0.972 545 Q CA 0.942 56.739 55.803 -0.009 0.000 0.903 545 Q CB 0.100 28.907 28.738 0.114 0.000 0.967 545 Q HN 0.368 nan 8.270 nan 0.000 0.486 546 K N 0.308 120.706 120.400 -0.003 0.000 2.393 546 K HA 0.055 3.898 4.320 -0.794 0.000 0.193 546 K C 0.364 176.960 176.600 -0.007 0.000 1.026 546 K CA -0.056 56.234 56.287 0.004 0.000 1.064 546 K CB 0.534 33.046 32.500 0.019 0.000 0.833 546 K HN 0.091 nan 8.250 nan 0.000 0.521 547 V N -0.007 119.895 119.914 -0.019 0.000 3.096 547 V HA 0.225 3.868 4.120 -0.794 0.000 0.306 547 V C 0.001 176.099 176.094 0.007 0.000 1.088 547 V CA -0.569 61.747 62.300 0.026 0.000 1.129 547 V CB 1.251 33.139 31.823 0.109 0.000 1.014 547 V HN 0.213 nan 8.190 nan 0.000 0.486 548 S N 1.569 117.310 115.700 0.068 0.000 2.567 548 S HA 0.511 4.504 4.470 -0.794 0.000 0.270 548 S C -0.245 174.427 174.600 0.119 0.000 1.152 548 S CA -0.397 57.822 58.200 0.032 0.000 0.835 548 S CB 1.157 64.349 63.200 -0.014 0.000 1.115 548 S HN 0.798 nan 8.310 nan 0.000 0.459 549 F N 2.298 122.185 119.950 -0.105 0.000 2.171 549 F HA -0.026 4.030 4.527 -0.786 0.000 0.300 549 F C 2.521 178.266 175.800 -0.093 0.000 1.090 549 F CA 2.269 60.215 58.000 -0.090 0.000 1.293 549 F CB -0.529 38.263 39.000 -0.347 0.000 1.013 549 F HN 0.693 nan 8.300 nan 0.000 0.486 550 S N 0.207 115.896 115.700 -0.018 0.000 2.359 550 S HA -0.312 3.681 4.470 -0.794 0.000 0.223 550 S C 1.992 176.521 174.600 -0.118 0.000 1.039 550 S CA 1.626 59.782 58.200 -0.074 0.000 1.042 550 S CB -0.526 62.622 63.200 -0.086 0.000 0.915 550 S HN 0.277 nan 8.310 nan 0.000 0.439 551 R N 1.335 121.775 120.500 -0.101 0.000 2.083 551 R HA -0.040 3.823 4.340 -0.794 0.000 0.237 551 R C 2.180 178.369 176.300 -0.186 0.000 1.137 551 R CA 1.267 57.300 56.100 -0.111 0.000 0.951 551 R CB -1.147 29.109 30.300 -0.073 0.000 0.851 551 R HN 0.387 nan 8.270 nan 0.000 0.434 552 L N 0.294 121.363 121.223 -0.256 0.000 2.089 552 L HA -0.171 3.693 4.340 -0.794 0.000 0.213 552 L C 2.021 178.647 176.870 -0.407 0.000 1.079 552 L CA 1.830 56.419 54.840 -0.418 0.000 0.758 552 L CB -0.335 41.352 42.059 -0.619 0.000 0.891 552 L HN 0.340 nan 8.230 nan 0.000 0.433 553 I N -1.978 118.356 120.570 -0.394 0.000 2.202 553 I HA -0.345 3.348 4.170 -0.794 0.000 0.242 553 I C 2.493 178.505 176.117 -0.175 0.000 1.091 553 I CA 1.268 62.405 61.300 -0.271 0.000 1.368 553 I CB -0.532 37.365 38.000 -0.172 0.000 1.058 553 I HN 0.363 nan 8.210 nan 0.000 0.410 554 c N 0.967 119.484 118.600 -0.138 0.000 2.413 554 c HA -0.184 3.909 4.570 -0.794 0.000 0.277 554 c C 2.413 176.438 174.090 -0.107 0.000 1.228 554 c CA 0.936 57.211 56.329 -0.091 0.000 1.731 554 c CB -1.050 41.420 42.510 -0.068 0.000 2.042 554 c HN 0.535 nan 8.230 nan 0.000 0.468 555 D N 0.430 120.749 120.400 -0.136 0.000 2.219 555 D HA -0.062 4.101 4.640 -0.794 0.000 0.205 555 D C 1.379 177.585 176.300 -0.157 0.000 0.970 555 D CA 1.007 54.926 54.000 -0.135 0.000 0.851 555 D CB -0.537 40.173 40.800 -0.150 0.000 0.943 555 D HN 0.536 nan 8.370 nan 0.000 0.488 556 N N -0.124 118.461 118.700 -0.191 0.000 2.187 556 N HA 0.025 4.289 4.740 -0.794 0.000 0.212 556 N C 0.177 175.543 175.510 -0.240 0.000 1.152 556 N CA 0.218 53.143 53.050 -0.208 0.000 0.872 556 N CB 1.485 39.841 38.487 -0.218 0.000 1.025 556 N HN 0.266 nan 8.380 nan 0.000 0.514 557 T N -3.565 110.840 114.554 -0.248 0.000 2.778 557 T HA 0.353 4.226 4.350 -0.794 0.000 0.293 557 T C -0.082 174.435 174.700 -0.305 0.000 1.144 557 T CA -0.524 61.398 62.100 -0.296 0.000 1.010 557 T CB 1.368 70.129 68.868 -0.178 0.000 1.325 557 T HN 0.044 nan 8.240 nan 0.000 0.515 558 H N -0.492 118.525 119.070 -0.087 0.000 2.507 558 H HA 0.460 4.540 4.556 -0.793 0.000 0.294 558 H C -0.030 175.253 175.328 -0.075 0.000 1.064 558 H CA -0.475 55.519 56.048 -0.090 0.000 1.138 558 H CB -0.143 29.539 29.762 -0.134 0.000 1.515 558 H HN 0.315 nan 8.280 nan 0.000 0.547 559 I N 1.560 122.142 120.570 0.020 0.000 2.395 559 I HA 0.027 3.720 4.170 -0.794 0.000 0.289 559 I C 1.168 177.328 176.117 0.071 0.000 1.023 559 I CA 0.072 61.394 61.300 0.037 0.000 1.350 559 I CB 1.493 39.512 38.000 0.031 0.000 1.409 559 I HN 0.282 nan 8.210 nan 0.000 0.507 560 T N 1.177 115.795 114.554 0.108 0.000 2.975 560 T HA 0.230 4.103 4.350 -0.794 0.000 0.257 560 T C 0.523 175.311 174.700 0.147 0.000 1.003 560 T CA -0.245 61.916 62.100 0.101 0.000 0.932 560 T CB 0.305 69.221 68.868 0.079 0.000 1.087 560 T HN 0.328 nan 8.240 nan 0.000 0.512 561 K N 2.431 122.979 120.400 0.247 0.000 2.323 561 K HA 0.678 4.521 4.320 -0.794 0.000 0.259 561 K C -0.711 176.187 176.600 0.497 0.000 0.947 561 K CA -0.612 55.879 56.287 0.339 0.000 0.819 561 K CB 2.532 35.273 32.500 0.401 0.000 1.109 561 K HN 0.315 nan 8.250 nan 0.000 0.429 562 V N -0.149 119.989 119.914 0.373 0.000 3.147 562 V HA 0.629 4.273 4.120 -0.794 0.000 0.306 562 V C -2.978 173.001 176.094 -0.192 0.000 1.209 562 V CA -2.631 59.800 62.300 0.219 0.000 1.023 562 V CB 2.217 34.093 31.823 0.089 0.000 1.059 562 V HN 0.407 nan 8.190 nan 0.000 0.435 563 P HA 0.390 nan 4.420 nan 0.000 0.276 563 P C 0.263 177.352 177.300 -0.351 0.000 1.252 563 P CA -0.364 62.377 63.100 -0.598 0.000 0.802 563 P CB 0.750 32.080 31.700 -0.616 0.000 1.035 564 L N 0.340 121.328 121.223 -0.392 0.000 2.084 564 L HA 0.011 3.874 4.340 -0.794 0.000 0.202 564 L C 1.003 177.575 176.870 -0.496 0.000 1.074 564 L CA 1.813 56.369 54.840 -0.473 0.000 0.757 564 L CB -1.481 40.181 42.059 -0.662 0.000 0.918 564 L HN 0.398 nan 8.230 nan 0.000 0.444 565 H N -0.426 118.561 119.070 -0.138 0.000 2.746 565 H HA 0.393 4.471 4.556 -0.796 0.000 0.269 565 H C 0.953 176.196 175.328 -0.142 0.000 1.248 565 H CA 0.186 56.171 56.048 -0.105 0.000 1.258 565 H CB 0.764 30.487 29.762 -0.064 0.000 1.441 565 H HN 0.079 nan 8.280 nan 0.000 0.508 566 A N 2.539 125.278 122.820 -0.136 0.000 2.168 566 A HA -0.067 3.776 4.320 -0.794 0.000 0.215 566 A C 1.200 178.645 177.584 -0.231 0.000 1.152 566 A CA 0.597 52.495 52.037 -0.232 0.000 0.716 566 A CB -0.403 18.419 19.000 -0.297 0.000 0.794 566 A HN 0.379 nan 8.150 nan 0.000 0.465 567 F N 0.222 120.180 119.950 0.015 0.000 2.743 567 F HA 0.099 4.147 4.527 -0.798 0.000 0.297 567 F C 1.426 177.214 175.800 -0.020 0.000 1.131 567 F CA 0.445 58.464 58.000 0.031 0.000 1.426 567 F CB -0.016 39.019 39.000 0.058 0.000 1.116 567 F HN 0.450 nan 8.300 nan 0.000 0.583 568 Q N 0.492 120.359 119.800 0.112 0.000 2.266 568 Q HA 0.690 4.553 4.340 -0.794 0.000 0.261 568 Q C -0.340 175.680 176.000 0.032 0.000 0.985 568 Q CA -1.106 54.714 55.803 0.029 0.000 0.873 568 Q CB 1.856 30.594 28.738 -0.001 0.000 1.306 568 Q HN 0.046 nan 8.270 nan 0.000 0.447 569 A N 3.259 126.097 122.820 0.030 0.000 2.553 569 A HA 0.089 3.932 4.320 -0.794 0.000 0.258 569 A C -0.829 176.783 177.584 0.048 0.000 1.069 569 A CA 0.089 52.160 52.037 0.056 0.000 0.767 569 A CB -0.818 18.216 19.000 0.057 0.000 0.997 569 A HN 0.826 nan 8.150 nan 0.000 0.512 570 N N 2.316 121.053 118.700 0.061 0.000 2.269 570 N HA 0.344 4.607 4.740 -0.794 0.000 0.304 570 N C -0.943 174.688 175.510 0.201 0.000 1.072 570 N CA -0.723 52.351 53.050 0.041 0.000 0.802 570 N CB 1.461 39.845 38.487 -0.172 0.000 1.348 570 N HN 0.709 nan 8.380 nan 0.000 0.484 571 N N 0.939 119.769 118.700 0.218 0.000 2.443 571 N HA 0.182 4.445 4.740 -0.794 0.000 0.295 571 N C -1.422 174.312 175.510 0.374 0.000 1.076 571 N CA -0.300 52.916 53.050 0.275 0.000 0.919 571 N CB 1.739 40.336 38.487 0.182 0.000 1.176 571 N HN 0.485 nan 8.380 nan 0.000 0.487 572 Y N 2.766 123.122 120.300 0.092 0.000 2.323 572 Y HA 0.341 4.414 4.550 -0.795 0.000 0.331 572 Y C -1.375 174.482 175.900 -0.072 0.000 1.092 572 Y CA -1.242 56.735 58.100 -0.205 0.000 1.150 572 Y CB 1.197 39.200 38.460 -0.762 0.000 1.200 572 Y HN 0.488 nan 8.280 nan 0.000 0.472 573 P HA 0.057 nan 4.420 nan 0.000 0.267 573 P C 0.755 177.889 177.300 -0.277 0.000 1.289 573 P CA 0.545 62.984 63.100 -1.100 0.000 0.866 573 P CB 0.208 31.119 31.700 -1.314 0.000 1.309 574 H N 1.835 120.814 119.070 -0.151 0.000 2.353 574 H HA -0.138 3.942 4.556 -0.794 0.000 0.298 574 H C 0.871 176.186 175.328 -0.021 0.000 1.103 574 H CA 2.124 58.133 56.048 -0.066 0.000 1.293 574 H CB -0.367 29.377 29.762 -0.030 0.000 1.372 574 H HN -0.040 nan 8.280 nan 0.000 0.501 575 D N -0.772 119.570 120.400 -0.097 0.000 2.340 575 D HA 0.024 4.188 4.640 -0.794 0.000 0.220 575 D C -0.447 175.691 176.300 -0.270 0.000 1.039 575 D CA 0.153 54.009 54.000 -0.241 0.000 0.866 575 D CB -0.109 40.590 40.800 -0.167 0.000 0.913 575 D HN 0.198 nan 8.370 nan 0.000 0.523 576 F N 0.711 120.515 119.950 -0.244 0.000 2.422 576 F HA 0.317 4.367 4.527 -0.795 0.000 0.333 576 F C 0.720 176.421 175.800 -0.166 0.000 1.095 576 F CA -1.233 56.653 58.000 -0.189 0.000 1.038 576 F CB 1.397 40.281 39.000 -0.194 0.000 1.156 576 F HN -0.315 nan 8.300 nan 0.000 0.483 577 V N -1.162 118.767 119.914 0.025 0.000 3.158 577 V HA 0.538 4.181 4.120 -0.794 0.000 0.315 577 V C -0.575 175.546 176.094 0.045 0.000 1.148 577 V CA -1.028 61.271 62.300 -0.002 0.000 1.042 577 V CB 1.862 33.649 31.823 -0.060 0.000 1.101 577 V HN 0.699 nan 8.190 nan 0.000 0.448 578 D N -0.117 120.298 120.400 0.025 0.000 2.345 578 D HA 0.131 4.295 4.640 -0.794 0.000 0.247 578 D C 1.021 177.331 176.300 0.017 0.000 1.108 578 D CA -0.005 54.017 54.000 0.036 0.000 0.894 578 D CB 1.867 42.681 40.800 0.024 0.000 1.203 578 D HN 0.746 nan 8.370 nan 0.000 0.430 579 c N 1.928 120.543 118.600 0.026 0.000 2.403 579 c HA -0.137 3.956 4.570 -0.794 0.000 0.282 579 c C 2.724 176.807 174.090 -0.012 0.000 1.297 579 c CA 0.687 57.018 56.329 0.003 0.000 1.785 579 c CB -0.986 41.526 42.510 0.005 0.000 1.963 579 c HN 0.618 nan 8.230 nan 0.000 0.507 580 S N 0.298 115.995 115.700 -0.006 0.000 2.500 580 S HA -0.033 3.960 4.470 -0.794 0.000 0.239 580 S C 1.728 176.317 174.600 -0.017 0.000 0.989 580 S CA 1.003 59.197 58.200 -0.011 0.000 0.951 580 S CB -0.181 63.016 63.200 -0.005 0.000 0.759 580 S HN 0.765 nan 8.310 nan 0.000 0.523 581 A N 0.549 123.355 122.820 -0.022 0.000 2.275 581 A HA 0.395 4.238 4.320 -0.794 0.000 0.212 581 A C 0.467 178.025 177.584 -0.043 0.000 1.201 581 A CA -0.088 51.931 52.037 -0.031 0.000 0.843 581 A CB 0.251 19.230 19.000 -0.036 0.000 0.873 581 A HN 0.232 nan 8.150 nan 0.000 0.492 582 V N 1.625 121.513 119.914 -0.043 0.000 2.370 582 V HA 0.172 3.815 4.120 -0.794 0.000 0.283 582 V C -0.849 175.221 176.094 -0.041 0.000 1.023 582 V CA -1.001 61.267 62.300 -0.053 0.000 0.857 582 V CB 1.191 32.977 31.823 -0.061 0.000 0.985 582 V HN 0.349 nan 8.190 nan 0.000 0.443 583 D N 4.478 124.856 120.400 -0.037 0.000 2.581 583 D HA 0.046 4.209 4.640 -0.794 0.000 0.238 583 D C 0.360 176.644 176.300 -0.027 0.000 1.145 583 D CA 0.837 54.823 54.000 -0.024 0.000 0.866 583 D CB 0.417 41.208 40.800 -0.016 0.000 1.151 583 D HN 0.432 nan 8.370 nan 0.000 0.500 584 K N 1.315 121.701 120.400 -0.023 0.000 2.090 584 K HA 0.361 4.204 4.320 -0.794 0.000 0.250 584 K C -0.231 176.356 176.600 -0.021 0.000 1.004 584 K CA -1.064 55.205 56.287 -0.031 0.000 0.919 584 K CB 0.955 33.437 32.500 -0.031 0.000 1.045 584 K HN 0.248 nan 8.250 nan 0.000 0.471 585 L N 2.269 123.469 121.223 -0.039 0.000 2.268 585 L HA 0.110 3.974 4.340 -0.794 0.000 0.289 585 L C -0.594 176.267 176.870 -0.015 0.000 1.064 585 L CA -0.078 54.744 54.840 -0.031 0.000 0.824 585 L CB 0.235 42.245 42.059 -0.082 0.000 1.202 585 L HN 0.387 nan 8.230 nan 0.000 0.433 586 D N 4.586 125.012 120.400 0.044 0.000 2.344 586 D HA 0.065 4.228 4.640 -0.794 0.000 0.253 586 D C 0.683 177.083 176.300 0.166 0.000 1.255 586 D CA 0.278 54.325 54.000 0.078 0.000 0.894 586 D CB 0.642 41.493 40.800 0.085 0.000 1.067 586 D HN 0.642 nan 8.370 nan 0.000 0.492 587 L N 2.953 124.238 121.223 0.104 0.000 2.611 587 L HA -0.013 3.850 4.340 -0.794 0.000 0.229 587 L C 2.252 179.310 176.870 0.314 0.000 1.137 587 L CA -0.030 54.927 54.840 0.196 0.000 0.901 587 L CB -0.205 41.800 42.059 -0.089 0.000 1.098 587 L HN 0.369 nan 8.230 nan 0.000 0.456 588 S N 0.523 116.345 115.700 0.203 0.000 2.374 588 S HA -0.107 3.887 4.470 -0.794 0.000 0.227 588 S C -0.491 174.209 174.600 0.167 0.000 1.037 588 S CA 0.874 59.159 58.200 0.142 0.000 1.024 588 S CB -1.621 61.628 63.200 0.081 0.000 0.861 588 S HN 0.240 nan 8.310 nan 0.000 0.456 589 P HA -0.019 nan 4.420 nan 0.000 0.231 589 P C 0.551 177.820 177.300 -0.053 0.000 1.158 589 P CA 0.749 63.854 63.100 0.008 0.000 0.763 589 P CB -0.257 31.365 31.700 -0.131 0.000 0.805 590 W N -0.581 120.755 121.300 0.059 0.000 3.278 590 W HA 0.402 4.586 4.660 -0.795 0.000 0.308 590 W C 0.456 176.973 176.519 -0.003 0.000 1.253 590 W CA -0.447 56.954 57.345 0.094 0.000 1.759 590 W CB 0.072 29.598 29.460 0.109 0.000 1.093 590 W HN -0.137 nan 8.180 nan 0.000 0.648 591 A N 1.016 123.905 122.820 0.116 0.000 2.409 591 A HA 0.279 4.122 4.320 -0.794 0.000 0.262 591 A C 0.252 177.857 177.584 0.035 0.000 1.113 591 A CA 0.198 52.231 52.037 -0.007 0.000 0.790 591 A CB 0.604 19.604 19.000 0.000 0.000 1.046 591 A HN -0.042 nan 8.150 nan 0.000 0.496 592 S N 2.455 118.167 115.700 0.020 0.000 2.474 592 S HA 0.373 4.366 4.470 -0.794 0.000 0.320 592 S C -0.004 174.680 174.600 0.140 0.000 1.067 592 S CA -0.659 57.639 58.200 0.163 0.000 1.127 592 S CB -0.227 63.199 63.200 0.376 0.000 0.971 592 S HN 0.647 nan 8.310 nan 0.000 0.472 593 R N 3.415 123.966 120.500 0.085 0.000 2.267 593 R HA 0.286 4.150 4.340 -0.794 0.000 0.319 593 R C 0.393 176.713 176.300 0.033 0.000 1.067 593 R CA -0.468 55.658 56.100 0.043 0.000 0.936 593 R CB 0.635 30.951 30.300 0.028 0.000 1.006 593 R HN 0.622 nan 8.270 nan 0.000 0.452 594 E N 2.439 122.634 120.200 -0.008 0.000 2.376 594 E HA 0.084 3.957 4.350 -0.794 0.000 0.254 594 E C 0.174 176.767 176.600 -0.011 0.000 1.213 594 E CA -0.456 55.928 56.400 -0.026 0.000 0.945 594 E CB 0.483 30.128 29.700 -0.093 0.000 1.057 594 E HN 0.457 nan 8.360 nan 0.000 0.479 595 N N 0.000 118.694 118.700 -0.010 0.000 1.763 595 N HA 0.000 4.263 4.740 -0.794 0.000 0.220 595 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 595 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667