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 3iwo_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAGGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.435 177.584 -0.248 0.000 1.274 4 A CA 0.000 51.883 52.037 -0.257 0.000 0.836 4 A CB 0.000 18.811 19.000 -0.315 0.000 0.831 5 P HA 0.037 nan 4.420 nan 0.000 0.264 5 P C 0.863 178.043 177.300 -0.200 0.000 1.183 5 P CA 0.023 62.973 63.100 -0.250 0.000 0.763 5 P CB 0.634 32.126 31.700 -0.348 0.000 0.807 6 Q N 3.086 122.815 119.800 -0.119 0.000 2.152 6 Q HA -0.277 4.063 4.340 -0.000 0.000 0.206 6 Q C 1.654 177.599 176.000 -0.092 0.000 0.985 6 Q CA 1.926 57.681 55.803 -0.080 0.000 0.863 6 Q CB -0.040 28.669 28.738 -0.048 0.000 0.904 6 Q HN 0.585 nan 8.270 nan 0.000 0.422 7 Q N -0.289 119.432 119.800 -0.132 0.000 2.170 7 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 7 Q C 2.074 177.971 176.000 -0.173 0.000 0.976 7 Q CA 1.343 57.063 55.803 -0.137 0.000 0.858 7 Q CB -0.545 28.103 28.738 -0.151 0.000 0.907 7 Q HN 0.517 nan 8.270 nan 0.000 0.433 8 I N 1.408 121.830 120.570 -0.246 0.000 2.233 8 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 8 I C 1.976 178.040 176.117 -0.089 0.000 1.093 8 I CA 0.854 62.023 61.300 -0.218 0.000 1.380 8 I CB -0.415 37.405 38.000 -0.299 0.000 1.067 8 I HN 0.142 nan 8.210 nan 0.000 0.413 9 N N 0.969 119.661 118.700 -0.012 0.000 2.104 9 N HA -0.239 4.501 4.740 -0.000 0.000 0.190 9 N C 1.520 177.062 175.510 0.054 0.000 1.024 9 N CA 1.781 54.884 53.050 0.089 0.000 0.853 9 N CB -0.512 38.017 38.487 0.070 0.000 1.008 9 N HN 0.369 nan 8.380 nan 0.000 0.424 10 D N 0.352 120.763 120.400 0.017 0.000 2.084 10 D HA -0.107 4.533 4.640 -0.000 0.000 0.194 10 D C 1.873 178.188 176.300 0.026 0.000 0.990 10 D CA 0.630 54.653 54.000 0.038 0.000 0.826 10 D CB -0.198 40.605 40.800 0.005 0.000 0.971 10 D HN 0.104 nan 8.370 nan 0.000 0.453 11 I N -0.243 120.311 120.570 -0.028 0.000 2.315 11 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 11 I C 2.081 178.173 176.117 -0.041 0.000 1.117 11 I CA 0.774 62.050 61.300 -0.039 0.000 1.404 11 I CB -0.193 37.770 38.000 -0.062 0.000 1.071 11 I HN -0.013 nan 8.210 nan 0.000 0.419 12 V N 0.072 119.932 119.914 -0.091 0.000 2.307 12 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 12 V C 2.541 178.694 176.094 0.098 0.000 1.045 12 V CA 2.250 64.475 62.300 -0.125 0.000 1.024 12 V CB -1.059 30.417 31.823 -0.579 0.000 0.651 12 V HN 0.525 nan 8.190 nan 0.000 0.449 13 H N 0.705 119.803 119.070 0.046 0.000 2.387 13 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 13 H C 2.387 177.769 175.328 0.089 0.000 1.090 13 H CA 1.768 57.903 56.048 0.145 0.000 1.332 13 H CB -0.075 29.757 29.762 0.116 0.000 1.386 13 H HN 0.276 nan 8.280 nan 0.000 0.516 14 R N -1.147 119.345 120.500 -0.014 0.000 2.189 14 R HA -0.010 4.330 4.340 -0.000 0.000 0.218 14 R C 1.564 177.824 176.300 -0.066 0.000 1.074 14 R CA 1.508 57.554 56.100 -0.089 0.000 0.991 14 R CB 0.272 30.548 30.300 -0.041 0.000 0.883 14 R HN 0.334 nan 8.270 nan 0.000 0.457 15 T N 0.321 114.855 114.554 -0.033 0.000 3.044 15 T HA 0.134 4.484 4.350 -0.000 0.000 0.237 15 T C 1.744 176.404 174.700 -0.067 0.000 1.001 15 T CA 0.266 62.347 62.100 -0.031 0.000 1.160 15 T CB 0.227 69.092 68.868 -0.005 0.000 0.889 15 T HN -0.037 nan 8.240 nan 0.000 0.442 16 I N 2.046 122.567 120.570 -0.083 0.000 2.333 16 I HA -0.043 4.127 4.170 -0.000 0.000 0.246 16 I C 2.565 178.454 176.117 -0.379 0.000 1.106 16 I CA 1.270 62.415 61.300 -0.258 0.000 1.411 16 I CB -1.732 36.037 38.000 -0.385 0.000 1.082 16 I HN 0.249 nan 8.210 nan 0.000 0.420 17 T N 2.283 116.742 114.554 -0.159 0.000 2.684 17 T HA -0.086 4.263 4.350 -0.000 0.000 0.267 17 T C -0.307 174.299 174.700 -0.157 0.000 1.036 17 T CA 1.659 63.700 62.100 -0.099 0.000 1.148 17 T CB -1.331 67.693 68.868 0.261 0.000 0.863 17 T HN 0.229 nan 8.240 nan 0.000 0.436 18 P HA 0.044 nan 4.420 nan 0.000 0.219 18 P C 1.633 178.852 177.300 -0.135 0.000 1.150 18 P CA 0.370 63.400 63.100 -0.116 0.000 0.814 18 P CB -0.165 31.479 31.700 -0.094 0.000 0.787 19 L N -0.460 120.664 121.223 -0.165 0.000 2.013 19 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 19 L C 2.134 178.844 176.870 -0.267 0.000 1.073 19 L CA 1.898 56.624 54.840 -0.189 0.000 0.753 19 L CB -1.180 40.765 42.059 -0.189 0.000 0.890 19 L HN -0.134 nan 8.230 nan 0.000 0.432 20 I N -0.546 119.825 120.570 -0.333 0.000 2.179 20 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 20 I C 2.460 178.453 176.117 -0.206 0.000 1.088 20 I CA 1.123 62.224 61.300 -0.332 0.000 1.357 20 I CB -0.442 37.310 38.000 -0.413 0.000 1.051 20 I HN 0.316 nan 8.210 nan 0.000 0.409 21 E N 0.582 120.691 120.200 -0.153 0.000 2.051 21 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 21 E C 2.171 178.719 176.600 -0.086 0.000 0.991 21 E CA 1.375 57.718 56.400 -0.095 0.000 0.799 21 E CB -0.417 29.244 29.700 -0.065 0.000 0.748 21 E HN 0.592 nan 8.360 nan 0.000 0.449 22 Q N 0.036 119.780 119.800 -0.094 0.000 2.124 22 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 22 Q C 1.839 177.797 176.000 -0.070 0.000 0.977 22 Q CA 1.077 56.838 55.803 -0.070 0.000 0.850 22 Q CB 0.108 28.808 28.738 -0.063 0.000 0.901 22 Q HN 0.174 nan 8.270 nan 0.000 0.429 23 Q N -0.070 119.659 119.800 -0.118 0.000 2.282 23 Q HA 0.100 4.440 4.340 -0.000 0.000 0.206 23 Q C -0.384 175.558 176.000 -0.096 0.000 0.878 23 Q CA 0.115 55.850 55.803 -0.112 0.000 0.944 23 Q CB 0.756 29.348 28.738 -0.244 0.000 1.100 23 Q HN 0.246 nan 8.270 nan 0.000 0.509 24 K N 0.903 121.245 120.400 -0.097 0.000 3.257 24 K HA -0.178 4.142 4.320 -0.000 0.000 0.270 24 K C -0.573 175.980 176.600 -0.078 0.000 0.984 24 K CA 0.203 56.446 56.287 -0.074 0.000 0.739 24 K CB -1.763 30.712 32.500 -0.042 0.000 1.351 24 K HN 0.250 nan 8.250 nan 0.000 0.463 25 I N 0.924 121.420 120.570 -0.123 0.000 2.416 25 I HA 0.035 4.205 4.170 -0.000 0.000 0.288 25 I C -0.981 175.106 176.117 -0.050 0.000 1.051 25 I CA -2.106 59.134 61.300 -0.100 0.000 1.375 25 I CB 0.973 38.848 38.000 -0.207 0.000 1.407 25 I HN 0.039 nan 8.210 nan 0.000 0.516 26 P HA 0.055 nan 4.420 nan 0.000 0.220 26 P C 0.272 177.616 177.300 0.073 0.000 1.152 26 P CA 0.416 63.500 63.100 -0.026 0.000 0.812 26 P CB 0.363 31.966 31.700 -0.161 0.000 0.792 27 G N -1.142 107.761 108.800 0.171 0.000 2.742 27 G HA2 0.657 4.617 3.960 -0.000 0.000 0.296 27 G HA3 0.657 4.617 3.960 -0.000 0.000 0.296 27 G C -1.999 173.141 174.900 0.400 0.000 1.436 27 G CA -0.347 44.929 45.100 0.293 0.000 0.928 27 G HN 0.030 nan 8.290 nan 0.000 0.520 28 M N 1.143 121.024 119.600 0.468 0.000 2.413 28 M HA 0.717 5.197 4.480 -0.000 0.000 0.287 28 M C -1.409 175.233 176.300 0.570 0.000 1.186 28 M CA -0.502 55.048 55.300 0.415 0.000 0.927 28 M CB 2.269 34.949 32.600 0.133 0.000 1.715 28 M HN 1.122 nan 8.290 nan 0.000 0.478 29 A N 3.238 126.269 122.820 0.351 0.000 2.414 29 A HA 0.896 5.216 4.320 -0.000 0.000 0.306 29 A C -1.762 176.042 177.584 0.367 0.000 1.054 29 A CA -0.627 51.657 52.037 0.412 0.000 0.724 29 A CB 1.838 21.039 19.000 0.335 0.000 1.267 29 A HN 0.619 nan 8.150 nan 0.000 0.418 30 V N 0.847 121.091 119.914 0.549 0.000 2.709 30 V HA 0.777 4.897 4.120 -0.000 0.000 0.308 30 V C 0.110 176.537 176.094 0.555 0.000 1.062 30 V CA -0.261 62.340 62.300 0.502 0.000 0.901 30 V CB 1.846 33.995 31.823 0.544 0.000 1.003 30 V HN 1.414 nan 8.190 nan 0.000 0.425 31 A N 3.942 127.001 122.820 0.398 0.000 2.331 31 A HA 0.887 5.207 4.320 -0.000 0.000 0.320 31 A C -1.026 176.705 177.584 0.246 0.000 1.138 31 A CA -0.564 51.642 52.037 0.281 0.000 0.790 31 A CB 1.681 20.801 19.000 0.199 0.000 1.206 31 A HN 0.671 nan 8.150 nan 0.000 0.470 32 V N 3.497 123.580 119.914 0.281 0.000 2.448 32 V HA 0.354 4.474 4.120 -0.000 0.000 0.295 32 V C -0.777 175.437 176.094 0.199 0.000 1.025 32 V CA -0.274 62.172 62.300 0.243 0.000 0.859 32 V CB 1.350 33.345 31.823 0.287 0.000 0.988 32 V HN 0.734 nan 8.190 nan 0.000 0.431 33 I N 5.840 126.484 120.570 0.123 0.000 2.315 33 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 33 I C -0.728 175.498 176.117 0.181 0.000 1.006 33 I CA -0.179 61.170 61.300 0.081 0.000 1.265 33 I CB 0.859 38.839 38.000 -0.034 0.000 1.387 33 I HN 0.594 nan 8.210 nan 0.000 0.475 34 Y N 5.282 125.647 120.300 0.108 0.000 2.346 34 Y HA 0.322 4.872 4.550 0.000 0.000 0.332 34 Y C 0.129 176.081 175.900 0.087 0.000 0.985 34 Y CA -0.934 57.231 58.100 0.107 0.000 1.112 34 Y CB 1.236 39.795 38.460 0.165 0.000 1.170 34 Y HN 0.690 nan 8.280 nan 0.000 0.447 35 Q N 4.500 124.015 119.800 -0.475 0.000 2.435 35 Q HA -0.274 4.066 4.340 -0.000 0.000 0.286 35 Q C 1.103 177.011 176.000 -0.153 0.000 1.229 35 Q CA 1.276 56.871 55.803 -0.347 0.000 0.884 35 Q CB -1.603 26.904 28.738 -0.385 0.000 1.245 35 Q HN 1.410 nan 8.270 nan 0.000 0.488 36 G N -0.703 108.024 108.800 -0.121 0.000 2.179 36 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 36 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 36 G C 0.015 174.859 174.900 -0.093 0.000 0.977 36 G CA 0.666 45.702 45.100 -0.106 0.000 0.641 36 G HN 0.308 nan 8.290 nan 0.000 0.533 37 K N 1.343 121.704 120.400 -0.066 0.000 2.164 37 K HA 0.554 4.874 4.320 -0.000 0.000 0.258 37 K C -2.658 173.756 176.600 -0.310 0.000 0.951 37 K CA -1.985 54.198 56.287 -0.173 0.000 0.844 37 K CB 2.698 35.097 32.500 -0.169 0.000 1.099 37 K HN 0.061 nan 8.250 nan 0.000 0.435 38 P HA 0.238 nan 4.420 nan 0.000 0.292 38 P C -1.504 175.194 177.300 -1.003 0.000 1.283 38 P CA -0.417 62.346 63.100 -0.561 0.000 0.835 38 P CB 0.606 32.033 31.700 -0.455 0.000 1.017 39 Y N 1.021 121.039 120.300 -0.469 0.000 2.477 39 Y HA 0.502 5.052 4.550 -0.000 0.000 0.347 39 Y C -0.182 175.301 175.900 -0.696 0.000 0.981 39 Y CA -0.553 57.249 58.100 -0.496 0.000 1.033 39 Y CB 1.918 40.266 38.460 -0.187 0.000 1.245 39 Y HN 0.279 nan 8.280 nan 0.000 0.455 40 Y N 1.921 121.998 120.300 -0.371 0.000 2.485 40 Y HA 0.717 5.267 4.550 -0.000 0.000 0.345 40 Y C -1.159 174.283 175.900 -0.763 0.000 0.998 40 Y CA -1.593 56.319 58.100 -0.313 0.000 1.059 40 Y CB 1.539 39.923 38.460 -0.126 0.000 1.234 40 Y HN 0.367 nan 8.280 nan 0.000 0.461 41 F N 0.192 120.246 119.950 0.174 0.000 2.581 41 F HA 0.659 5.186 4.527 -0.000 0.000 0.311 41 F C -0.346 175.362 175.800 -0.154 0.000 1.113 41 F CA -0.983 56.940 58.000 -0.128 0.000 0.935 41 F CB 2.374 41.288 39.000 -0.145 0.000 1.232 41 F HN 0.398 nan 8.300 nan 0.000 0.445 42 T N -1.318 113.063 114.554 -0.287 0.000 2.909 42 T HA 0.689 5.039 4.350 -0.000 0.000 0.299 42 T C -1.607 172.993 174.700 -0.167 0.000 1.073 42 T CA -0.748 61.348 62.100 -0.006 0.000 0.999 42 T CB 1.857 70.785 68.868 0.099 0.000 1.098 42 T HN 0.627 nan 8.240 nan 0.000 0.477 43 W N 0.505 121.893 121.300 0.147 0.000 3.127 43 W HA 0.501 5.161 4.660 -0.000 0.000 0.330 43 W C 0.776 177.319 176.519 0.040 0.000 1.187 43 W CA -0.291 57.100 57.345 0.077 0.000 1.198 43 W CB 1.782 31.287 29.460 0.074 0.000 1.408 43 W HN 1.402 nan 8.180 nan 0.000 0.529 44 G N 1.457 110.334 108.800 0.129 0.000 2.569 44 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.259 44 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.259 44 G C -1.508 173.343 174.900 -0.082 0.000 1.263 44 G CA -0.296 44.731 45.100 -0.122 0.000 0.928 44 G HN 0.571 nan 8.290 nan 0.000 0.572 45 Y N 0.224 120.610 120.300 0.144 0.000 2.393 45 Y HA 0.542 5.092 4.550 -0.000 0.000 0.341 45 Y C 1.377 177.377 175.900 0.168 0.000 0.988 45 Y CA -0.433 57.744 58.100 0.127 0.000 1.078 45 Y CB 1.994 40.496 38.460 0.071 0.000 1.203 45 Y HN 0.806 nan 8.280 nan 0.000 0.453 46 A N 1.189 124.214 122.820 0.343 0.000 1.968 46 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 46 A C 0.294 178.083 177.584 0.342 0.000 1.169 46 A CA 1.439 53.622 52.037 0.244 0.000 0.638 46 A CB -0.001 19.077 19.000 0.130 0.000 0.812 46 A HN 0.674 nan 8.150 nan 0.000 0.446 47 D N -1.235 119.354 120.400 0.316 0.000 2.476 47 D HA 0.415 5.055 4.640 -0.000 0.000 0.251 47 D C 0.552 176.906 176.300 0.090 0.000 1.291 47 D CA -0.471 53.726 54.000 0.329 0.000 0.939 47 D CB 0.762 41.742 40.800 0.300 0.000 1.221 47 D HN 0.126 nan 8.370 nan 0.000 0.567 48 I N 2.303 122.934 120.570 0.103 0.000 2.202 48 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 48 I C 2.453 178.441 176.117 -0.215 0.000 1.091 48 I CA 1.073 62.295 61.300 -0.130 0.000 1.368 48 I CB -0.057 37.816 38.000 -0.210 0.000 1.058 48 I HN 0.453 nan 8.210 nan 0.000 0.410 49 A N 0.780 123.534 122.820 -0.110 0.000 1.908 49 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 49 A C 2.252 179.752 177.584 -0.140 0.000 1.181 49 A CA 1.666 53.631 52.037 -0.121 0.000 0.627 49 A CB -0.436 18.498 19.000 -0.111 0.000 0.818 49 A HN 0.326 nan 8.150 nan 0.000 0.445 50 K N -0.860 119.465 120.400 -0.124 0.000 2.459 50 K HA 0.048 4.368 4.320 -0.000 0.000 0.193 50 K C -0.289 176.190 176.600 -0.203 0.000 1.030 50 K CA 0.331 56.552 56.287 -0.110 0.000 1.026 50 K CB 0.034 32.517 32.500 -0.028 0.000 0.809 50 K HN 0.431 nan 8.250 nan 0.000 0.504 51 K N 1.393 121.529 120.400 -0.441 0.000 3.071 51 K HA -0.223 4.097 4.320 -0.000 0.000 0.262 51 K C -0.349 176.017 176.600 -0.390 0.000 0.977 51 K CA 0.360 56.114 56.287 -0.888 0.000 0.721 51 K CB -1.169 30.991 32.500 -0.565 0.000 1.293 51 K HN 0.151 nan 8.250 nan 0.000 0.475 52 Q N 0.868 120.574 119.800 -0.158 0.000 2.294 52 Q HA 0.229 4.569 4.340 -0.000 0.000 0.257 52 Q C -2.484 173.663 176.000 0.245 0.000 0.955 52 Q CA -2.236 53.605 55.803 0.065 0.000 0.936 52 Q CB 1.010 29.794 28.738 0.077 0.000 1.188 52 Q HN -0.042 nan 8.270 nan 0.000 0.420 53 P HA 0.045 nan 4.420 nan 0.000 0.274 53 P C -0.819 176.616 177.300 0.226 0.000 1.237 53 P CA -0.447 62.845 63.100 0.320 0.000 0.793 53 P CB 0.664 32.492 31.700 0.214 0.000 0.977 54 V N 1.971 122.028 119.914 0.239 0.000 2.585 54 V HA 0.204 4.324 4.120 -0.000 0.000 0.296 54 V C 1.110 177.313 176.094 0.182 0.000 1.035 54 V CA 0.816 63.258 62.300 0.238 0.000 1.084 54 V CB -0.073 31.970 31.823 0.366 0.000 0.953 54 V HN 0.851 nan 8.190 nan 0.000 0.483 55 T N 1.714 116.355 114.554 0.146 0.000 2.858 55 T HA 0.318 4.668 4.350 -0.000 0.000 0.285 55 T C 0.767 175.513 174.700 0.076 0.000 1.052 55 T CA -0.465 61.685 62.100 0.082 0.000 1.009 55 T CB 1.688 70.575 68.868 0.032 0.000 1.241 55 T HN 0.557 nan 8.240 nan 0.000 0.542 56 Q N -0.141 119.646 119.800 -0.022 0.000 2.500 56 Q HA -0.104 4.236 4.340 -0.000 0.000 0.213 56 Q C 0.976 176.918 176.000 -0.097 0.000 0.974 56 Q CA 1.170 56.909 55.803 -0.106 0.000 0.918 56 Q CB -0.210 28.358 28.738 -0.284 0.000 0.980 56 Q HN 0.638 nan 8.270 nan 0.000 0.505 57 Q N 0.806 120.561 119.800 -0.074 0.000 2.319 57 Q HA 0.153 4.493 4.340 -0.000 0.000 0.202 57 Q C -0.029 175.949 176.000 -0.038 0.000 0.896 57 Q CA 0.281 56.011 55.803 -0.122 0.000 0.942 57 Q CB 0.847 29.507 28.738 -0.130 0.000 1.083 57 Q HN 0.257 nan 8.270 nan 0.000 0.510 58 T N 1.904 116.482 114.554 0.041 0.000 2.814 58 T HA 0.262 4.612 4.350 -0.000 0.000 0.297 58 T C 0.091 174.818 174.700 0.045 0.000 0.956 58 T CA -0.162 61.949 62.100 0.019 0.000 1.123 58 T CB 0.490 69.359 68.868 0.002 0.000 0.902 58 T HN -0.027 nan 8.240 nan 0.000 0.528 59 L N 4.162 125.372 121.223 -0.021 0.000 2.305 59 L HA 0.502 4.842 4.340 -0.000 0.000 0.281 59 L C -0.393 176.444 176.870 -0.054 0.000 1.085 59 L CA -0.030 54.806 54.840 -0.007 0.000 0.813 59 L CB 0.330 42.300 42.059 -0.147 0.000 1.157 59 L HN 0.537 nan 8.230 nan 0.000 0.436 60 F N 0.574 120.530 119.950 0.011 0.000 2.538 60 F HA 0.414 4.941 4.527 -0.000 0.000 0.325 60 F C 0.463 175.994 175.800 -0.449 0.000 1.066 60 F CA -0.895 57.060 58.000 -0.076 0.000 0.946 60 F CB 1.313 40.420 39.000 0.178 0.000 1.199 60 F HN 0.403 nan 8.300 nan 0.000 0.473 61 E N 2.673 122.313 120.200 -0.934 0.000 2.290 61 E HA 0.149 4.499 4.350 -0.000 0.000 0.277 61 E C 0.410 176.900 176.600 -0.185 0.000 1.035 61 E CA -0.021 56.035 56.400 -0.573 0.000 0.873 61 E CB 0.857 30.140 29.700 -0.696 0.000 1.029 61 E HN 0.612 nan 8.360 nan 0.000 0.419 62 L N 2.781 123.972 121.223 -0.053 0.000 2.446 62 L HA 0.092 4.432 4.340 -0.000 0.000 0.219 62 L C 1.443 178.377 176.870 0.106 0.000 1.116 62 L CA 0.453 55.333 54.840 0.068 0.000 0.844 62 L CB -0.729 41.379 42.059 0.083 0.000 0.970 62 L HN 0.910 nan 8.230 nan 0.000 0.457 63 G N 0.572 109.419 108.800 0.079 0.000 2.596 63 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.295 63 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.295 63 G C 0.831 175.806 174.900 0.126 0.000 1.240 63 G CA 0.401 45.569 45.100 0.113 0.000 0.985 63 G HN 0.217 nan 8.290 nan 0.000 0.555 64 S N 0.028 115.820 115.700 0.153 0.000 2.507 64 S HA 0.054 4.524 4.470 -0.000 0.000 0.235 64 S C 2.367 177.066 174.600 0.164 0.000 0.988 64 S CA 1.237 59.545 58.200 0.181 0.000 0.944 64 S CB -0.034 63.325 63.200 0.266 0.000 0.762 64 S HN 0.759 nan 8.310 nan 0.000 0.526 65 V N 1.925 121.930 119.914 0.152 0.000 2.688 65 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 65 V C 2.204 178.396 176.094 0.164 0.000 1.084 65 V CA 1.641 64.019 62.300 0.130 0.000 1.103 65 V CB -0.950 30.980 31.823 0.177 0.000 0.688 65 V HN 0.472 nan 8.190 nan 0.000 0.480 66 S N -0.308 115.511 115.700 0.198 0.000 2.400 66 S HA -0.252 4.218 4.470 -0.000 0.000 0.232 66 S C 1.909 176.657 174.600 0.247 0.000 1.025 66 S CA 1.397 59.753 58.200 0.260 0.000 0.993 66 S CB -0.310 62.978 63.200 0.147 0.000 0.808 66 S HN 0.642 nan 8.310 nan 0.000 0.478 67 K N 0.898 121.393 120.400 0.157 0.000 2.211 67 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 67 K C 2.472 179.095 176.600 0.040 0.000 1.047 67 K CA 1.608 57.973 56.287 0.129 0.000 0.935 67 K CB -0.486 32.105 32.500 0.152 0.000 0.728 67 K HN 0.645 nan 8.250 nan 0.000 0.452 68 T N -1.290 113.191 114.554 -0.122 0.000 2.821 68 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 68 T C 1.742 176.444 174.700 0.004 0.000 1.046 68 T CA 0.838 62.696 62.100 -0.404 0.000 1.139 68 T CB -0.371 67.809 68.868 -1.147 0.000 0.871 68 T HN 0.031 nan 8.240 nan 0.000 0.454 69 F N 2.102 122.092 119.950 0.066 0.000 2.146 69 F HA 0.051 4.578 4.527 0.000 0.000 0.298 69 F C 3.015 178.860 175.800 0.075 0.000 1.096 69 F CA 1.310 59.304 58.000 -0.011 0.000 1.275 69 F CB -1.093 37.781 39.000 -0.209 0.000 1.008 69 F HN 0.135 nan 8.300 nan 0.000 0.480 70 T N -0.532 114.213 114.554 0.318 0.000 2.746 70 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 70 T C 2.372 177.258 174.700 0.309 0.000 1.039 70 T CA 1.444 63.742 62.100 0.330 0.000 1.142 70 T CB -1.022 68.049 68.868 0.338 0.000 0.866 70 T HN 0.440 nan 8.240 nan 0.000 0.444 71 G N 0.890 109.837 108.800 0.245 0.000 2.421 71 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.216 71 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.216 71 G C 1.700 176.752 174.900 0.255 0.000 1.171 71 G CA 0.840 46.075 45.100 0.224 0.000 0.775 71 G HN 0.435 nan 8.290 nan 0.000 0.543 72 V N 0.564 120.641 119.914 0.272 0.000 2.427 72 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 72 V C 2.666 178.882 176.094 0.203 0.000 1.051 72 V CA 1.481 63.952 62.300 0.284 0.000 1.048 72 V CB -0.304 31.783 31.823 0.440 0.000 0.666 72 V HN 0.344 nan 8.190 nan 0.000 0.456 73 L N 1.350 122.670 121.223 0.161 0.000 2.042 73 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 73 L C 2.316 179.207 176.870 0.037 0.000 1.076 73 L CA 2.448 57.309 54.840 0.034 0.000 0.749 73 L CB -1.233 40.771 42.059 -0.091 0.000 0.893 73 L HN 0.273 nan 8.230 nan 0.000 0.432 74 G N -1.226 107.653 108.800 0.130 0.000 2.418 74 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 74 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 74 G C 1.517 176.525 174.900 0.179 0.000 1.158 74 G CA 0.547 45.743 45.100 0.161 0.000 0.771 74 G HN 0.589 nan 8.290 nan 0.000 0.545 75 G N 0.615 109.528 108.800 0.189 0.000 2.418 75 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 75 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 75 G C 1.437 176.394 174.900 0.096 0.000 1.158 75 G CA 1.348 46.537 45.100 0.148 0.000 0.771 75 G HN 0.502 nan 8.290 nan 0.000 0.545 76 D N 0.581 121.027 120.400 0.078 0.000 2.117 76 D HA 0.010 4.650 4.640 -0.000 0.000 0.197 76 D C 2.650 178.959 176.300 0.015 0.000 0.987 76 D CA 1.481 55.505 54.000 0.040 0.000 0.829 76 D CB -0.252 40.562 40.800 0.024 0.000 0.961 76 D HN 0.245 nan 8.370 nan 0.000 0.460 77 A N 0.023 122.842 122.820 -0.001 0.000 1.930 77 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 77 A C 2.330 179.915 177.584 0.001 0.000 1.175 77 A CA 1.115 53.136 52.037 -0.026 0.000 0.627 77 A CB -0.753 18.197 19.000 -0.084 0.000 0.815 77 A HN 0.393 nan 8.150 nan 0.000 0.443 78 I N -0.139 120.449 120.570 0.031 0.000 2.179 78 I HA -0.279 3.890 4.170 -0.000 0.000 0.242 78 I C 2.919 179.062 176.117 0.043 0.000 1.088 78 I CA 1.162 62.492 61.300 0.049 0.000 1.357 78 I CB -0.374 37.672 38.000 0.078 0.000 1.051 78 I HN 0.334 nan 8.210 nan 0.000 0.409 79 A N 0.747 123.592 122.820 0.041 0.000 1.969 79 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 79 A C 2.312 179.908 177.584 0.021 0.000 1.169 79 A CA 1.222 53.278 52.037 0.032 0.000 0.635 79 A CB -0.541 18.478 19.000 0.031 0.000 0.810 79 A HN 0.333 nan 8.150 nan 0.000 0.445 80 R N -1.164 119.345 120.500 0.015 0.000 2.316 80 R HA 0.087 4.427 4.340 -0.000 0.000 0.202 80 R C 1.330 177.640 176.300 0.015 0.000 1.029 80 R CA 0.511 56.616 56.100 0.008 0.000 1.018 80 R CB -0.312 29.986 30.300 -0.003 0.000 0.888 80 R HN 0.688 nan 8.270 nan 0.000 0.471 81 G N 1.124 109.939 108.800 0.025 0.000 2.179 81 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 81 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 81 G C 0.504 175.431 174.900 0.044 0.000 1.010 81 G CA 0.713 45.834 45.100 0.035 0.000 0.736 81 G HN 0.470 nan 8.290 nan 0.000 0.513 82 E N -0.721 119.501 120.200 0.036 0.000 2.170 82 E HA 0.243 4.593 4.350 -0.000 0.000 0.191 82 E C 1.530 178.187 176.600 0.094 0.000 0.981 82 E CA 1.100 57.529 56.400 0.047 0.000 0.830 82 E CB 0.196 29.900 29.700 0.008 0.000 0.775 82 E HN 0.900 nan 8.360 nan 0.000 0.470 83 I N -2.452 118.149 120.570 0.053 0.000 3.074 83 I HA 0.494 4.664 4.170 -0.000 0.000 0.310 83 I C -1.288 174.884 176.117 0.092 0.000 1.153 83 I CA -1.257 60.075 61.300 0.054 0.000 0.993 83 I CB 2.275 40.127 38.000 -0.246 0.000 1.237 83 I HN -0.353 nan 8.210 nan 0.000 0.443 84 K N 2.920 123.413 120.400 0.154 0.000 2.378 84 K HA 0.504 4.824 4.320 -0.000 0.000 0.252 84 K C 0.119 176.791 176.600 0.121 0.000 0.931 84 K CA -0.752 55.612 56.287 0.128 0.000 0.794 84 K CB 2.868 35.451 32.500 0.137 0.000 1.181 84 K HN 0.616 nan 8.250 nan 0.000 0.425 85 L N 1.059 122.332 121.223 0.083 0.000 2.275 85 L HA -0.160 4.179 4.340 -0.000 0.000 0.215 85 L C 1.969 178.864 176.870 0.040 0.000 1.119 85 L CA 1.226 56.093 54.840 0.045 0.000 0.790 85 L CB -0.289 41.746 42.059 -0.039 0.000 0.919 85 L HN 0.706 nan 8.230 nan 0.000 0.443 86 S N -2.548 113.191 115.700 0.064 0.000 2.561 86 S HA -0.012 4.458 4.470 -0.000 0.000 0.225 86 S C 0.587 175.255 174.600 0.112 0.000 0.977 86 S CA -0.156 58.083 58.200 0.065 0.000 0.926 86 S CB -0.364 62.873 63.200 0.062 0.000 0.769 86 S HN 0.228 nan 8.310 nan 0.000 0.533 87 D N 3.671 124.175 120.400 0.173 0.000 2.341 87 D HA 0.361 5.001 4.640 -0.000 0.000 0.245 87 D C -2.623 173.826 176.300 0.250 0.000 1.106 87 D CA -1.758 52.379 54.000 0.228 0.000 0.905 87 D CB 0.722 41.749 40.800 0.379 0.000 1.202 87 D HN 0.125 nan 8.370 nan 0.000 0.426 88 P HA 0.019 nan 4.420 nan 0.000 0.266 88 P C 0.779 178.245 177.300 0.277 0.000 1.195 88 P CA 0.014 63.246 63.100 0.220 0.000 0.768 88 P CB 0.514 32.304 31.700 0.150 0.000 0.838 89 T N 0.878 115.619 114.554 0.312 0.000 2.699 89 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 89 T C 1.539 176.368 174.700 0.215 0.000 1.036 89 T CA 2.113 64.394 62.100 0.301 0.000 1.147 89 T CB -0.903 68.143 68.868 0.297 0.000 0.862 89 T HN 0.486 nan 8.240 nan 0.000 0.446 90 T N 1.479 116.111 114.554 0.130 0.000 2.881 90 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 90 T C 1.859 176.563 174.700 0.007 0.000 1.068 90 T CA 1.011 63.133 62.100 0.037 0.000 1.131 90 T CB -0.158 68.718 68.868 0.014 0.000 0.871 90 T HN 0.462 nan 8.240 nan 0.000 0.479 91 K N 0.340 120.705 120.400 -0.058 0.000 2.103 91 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 91 K C 1.332 177.691 176.600 -0.402 0.000 1.048 91 K CA 1.549 57.657 56.287 -0.298 0.000 0.930 91 K CB -0.158 32.032 32.500 -0.515 0.000 0.716 91 K HN 0.465 nan 8.250 nan 0.000 0.444 92 Y N -2.545 117.792 120.300 0.061 0.000 2.478 92 Y HA 0.082 4.632 4.550 -0.000 0.000 0.261 92 Y C 0.378 176.331 175.900 0.089 0.000 1.127 92 Y CA -0.491 57.633 58.100 0.039 0.000 1.288 92 Y CB 0.476 38.935 38.460 -0.002 0.000 1.084 92 Y HN 0.138 nan 8.280 nan 0.000 0.530 93 W N 2.487 123.780 121.300 -0.012 0.000 2.423 93 W HA 0.415 5.075 4.660 -0.000 0.000 0.286 93 W C -2.595 173.868 176.519 -0.093 0.000 1.001 93 W CA -3.798 53.501 57.345 -0.076 0.000 1.643 93 W CB 1.076 30.444 29.460 -0.154 0.000 1.593 93 W HN -0.099 nan 8.180 nan 0.000 0.403 94 P HA -0.194 nan 4.420 nan 0.000 0.219 94 P C 0.973 178.235 177.300 -0.062 0.000 1.146 94 P CA 1.936 65.052 63.100 0.026 0.000 0.808 94 P CB 0.506 32.228 31.700 0.035 0.000 0.779 95 E N -1.046 119.100 120.200 -0.090 0.000 2.418 95 E HA -0.055 4.295 4.350 -0.000 0.000 0.197 95 E C 0.586 176.916 176.600 -0.449 0.000 1.026 95 E CA 0.269 56.541 56.400 -0.213 0.000 0.862 95 E CB -0.646 28.985 29.700 -0.114 0.000 0.799 95 E HN 0.138 nan 8.360 nan 0.000 0.518 96 L N 1.824 122.644 121.223 -0.671 0.000 2.399 96 L HA 0.131 4.471 4.340 -0.000 0.000 0.257 96 L C 0.588 177.226 176.870 -0.386 0.000 1.236 96 L CA 0.382 54.751 54.840 -0.784 0.000 1.144 96 L CB -0.235 41.121 42.059 -1.172 0.000 1.379 96 L HN 0.047 nan 8.230 nan 0.000 0.414 97 T N -0.637 113.782 114.554 -0.225 0.000 3.040 97 T HA 0.400 4.750 4.350 -0.000 0.000 0.250 97 T C 0.911 175.622 174.700 0.018 0.000 1.058 97 T CA 0.228 62.281 62.100 -0.077 0.000 0.988 97 T CB 0.055 68.884 68.868 -0.065 0.000 0.993 97 T HN 0.502 nan 8.240 nan 0.000 0.519 98 A N 2.758 125.612 122.820 0.057 0.000 2.531 98 A HA 0.284 4.604 4.320 -0.000 0.000 0.236 98 A C 1.653 179.362 177.584 0.209 0.000 1.062 98 A CA -0.009 52.116 52.037 0.146 0.000 0.760 98 A CB 0.250 19.373 19.000 0.204 0.000 0.995 98 A HN 0.643 nan 8.150 nan 0.000 0.501 99 K N 1.433 121.898 120.400 0.110 0.000 2.209 99 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 99 K C 1.430 178.067 176.600 0.062 0.000 1.048 99 K CA 1.493 57.826 56.287 0.077 0.000 0.940 99 K CB -0.075 32.440 32.500 0.026 0.000 0.729 99 K HN 0.807 nan 8.250 nan 0.000 0.451 100 Q N 0.431 120.240 119.800 0.015 0.000 2.364 100 Q HA -0.153 4.187 4.340 -0.000 0.000 0.207 100 Q C 0.929 176.830 176.000 -0.165 0.000 0.970 100 Q CA 1.124 56.839 55.803 -0.146 0.000 0.888 100 Q CB -0.468 28.071 28.738 -0.332 0.000 0.951 100 Q HN 0.594 nan 8.270 nan 0.000 0.469 101 W N 1.575 122.931 121.300 0.092 0.000 2.905 101 W HA 0.127 4.786 4.660 -0.000 0.000 0.251 101 W C 1.602 178.185 176.519 0.107 0.000 1.305 101 W CA 0.242 57.663 57.345 0.127 0.000 1.465 101 W CB -0.105 29.410 29.460 0.091 0.000 1.122 101 W HN 0.225 nan 8.180 nan 0.000 0.659 102 N N 0.107 118.948 118.700 0.234 0.000 2.036 102 N HA -0.184 4.556 4.740 -0.000 0.000 0.199 102 N C 1.873 177.492 175.510 0.181 0.000 1.036 102 N CA 2.323 55.478 53.050 0.176 0.000 0.870 102 N CB -0.874 37.680 38.487 0.110 0.000 1.055 102 N HN 0.111 nan 8.380 nan 0.000 0.436 103 G N -0.813 108.081 108.800 0.156 0.000 3.314 103 G HA2 0.261 4.221 3.960 -0.000 0.000 0.238 103 G HA3 0.261 4.221 3.960 -0.000 0.000 0.238 103 G C -0.124 174.944 174.900 0.280 0.000 1.184 103 G CA -0.281 44.932 45.100 0.189 0.000 0.806 103 G HN 0.161 nan 8.290 nan 0.000 0.536 104 I N 2.646 123.404 120.570 0.313 0.000 2.304 104 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 104 I C 0.736 177.150 176.117 0.495 0.000 1.018 104 I CA -0.454 61.114 61.300 0.446 0.000 1.260 104 I CB 1.261 39.464 38.000 0.338 0.000 1.390 104 I HN 0.056 nan 8.210 nan 0.000 0.475 105 T N 2.819 117.683 114.554 0.518 0.000 2.937 105 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 105 T C 1.209 176.036 174.700 0.212 0.000 1.012 105 T CA -0.879 61.373 62.100 0.253 0.000 0.997 105 T CB 1.508 70.408 68.868 0.054 0.000 1.136 105 T HN 0.411 nan 8.240 nan 0.000 0.551 106 L N 0.284 121.620 121.223 0.188 0.000 2.127 106 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 106 L C 2.558 179.436 176.870 0.014 0.000 1.089 106 L CA 0.977 55.937 54.840 0.200 0.000 0.757 106 L CB -0.795 41.400 42.059 0.226 0.000 0.899 106 L HN 0.615 nan 8.230 nan 0.000 0.434 107 L N -0.279 120.885 121.223 -0.098 0.000 2.012 107 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 107 L C 2.398 179.201 176.870 -0.112 0.000 1.073 107 L CA 1.996 56.703 54.840 -0.220 0.000 0.748 107 L CB -0.640 41.290 42.059 -0.215 0.000 0.891 107 L HN 0.239 nan 8.230 nan 0.000 0.431 108 H N -1.042 118.088 119.070 0.101 0.000 2.352 108 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 108 H C 2.250 177.579 175.328 0.003 0.000 1.097 108 H CA 1.694 57.794 56.048 0.087 0.000 1.311 108 H CB -0.194 29.645 29.762 0.129 0.000 1.377 108 H HN 0.324 nan 8.280 nan 0.000 0.504 109 L N 0.175 121.489 121.223 0.151 0.000 2.012 109 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 109 L C 2.838 179.640 176.870 -0.113 0.000 1.073 109 L CA 0.967 55.865 54.840 0.096 0.000 0.748 109 L CB -0.564 41.622 42.059 0.212 0.000 0.891 109 L HN 0.362 nan 8.230 nan 0.000 0.431 110 A N -0.316 122.257 122.820 -0.412 0.000 2.019 110 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 110 A C 2.064 179.228 177.584 -0.700 0.000 1.164 110 A CA 2.031 53.569 52.037 -0.833 0.000 0.644 110 A CB -0.636 17.451 19.000 -1.522 0.000 0.805 110 A HN 0.539 nan 8.150 nan 0.000 0.449 111 T N -6.631 107.618 114.554 -0.508 0.000 3.132 111 T HA 0.336 4.686 4.350 -0.000 0.000 0.274 111 T C 0.166 174.615 174.700 -0.419 0.000 1.011 111 T CA 0.183 61.994 62.100 -0.481 0.000 0.899 111 T CB -0.440 68.453 68.868 0.042 0.000 1.089 111 T HN 0.661 nan 8.240 nan 0.000 0.543 112 Y N 0.937 121.219 120.300 -0.030 0.000 4.272 112 Y HA -0.248 4.302 4.550 0.000 0.000 0.232 112 Y C 1.185 177.047 175.900 -0.063 0.000 1.149 112 Y CA 0.471 58.552 58.100 -0.033 0.000 1.961 112 Y CB -3.160 35.292 38.460 -0.014 0.000 1.611 112 Y HN 0.610 nan 8.280 nan 0.000 0.682 113 T N -4.510 110.042 114.554 -0.003 0.000 3.182 113 T HA 0.680 5.030 4.350 -0.000 0.000 0.277 113 T C 1.502 176.165 174.700 -0.062 0.000 1.013 113 T CA 0.194 62.208 62.100 -0.144 0.000 0.900 113 T CB 0.545 69.083 68.868 -0.550 0.000 1.098 113 T HN 0.488 nan 8.240 nan 0.000 0.543 114 A N 1.450 124.300 122.820 0.050 0.000 2.121 114 A HA 0.526 4.846 4.320 -0.000 0.000 0.218 114 A C 1.908 179.555 177.584 0.106 0.000 1.154 114 A CA 0.740 52.792 52.037 0.025 0.000 0.679 114 A CB -0.893 18.124 19.000 0.029 0.000 0.795 114 A HN 1.516 nan 8.150 nan 0.000 0.458 115 G N -3.190 105.748 108.800 0.231 0.000 2.247 115 G HA2 0.407 4.367 3.960 -0.000 0.000 0.111 115 G HA3 0.407 4.367 3.960 -0.000 0.000 0.111 115 G C 0.974 176.187 174.900 0.522 0.000 1.045 115 G CA 0.335 45.670 45.100 0.392 0.000 0.715 115 G HN 2.010 nan 8.290 nan 0.000 0.485 116 G N -0.893 108.240 108.800 0.554 0.000 2.173 116 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.174 116 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.174 116 G C 0.437 175.603 174.900 0.444 0.000 1.025 116 G CA -0.027 45.347 45.100 0.458 0.000 0.706 116 G HN 1.262 nan 8.290 nan 0.000 0.499 117 L N 1.653 123.003 121.223 0.212 0.000 2.514 117 L HA 0.238 4.578 4.340 -0.000 0.000 0.280 117 L C -0.902 176.028 176.870 0.100 0.000 1.223 117 L CA -1.089 53.677 54.840 -0.122 0.000 0.864 117 L CB 0.411 42.307 42.059 -0.271 0.000 1.118 117 L HN 0.112 nan 8.230 nan 0.000 0.494 118 P HA 0.005 nan 4.420 nan 0.000 0.277 118 P C 0.508 177.861 177.300 0.089 0.000 1.240 118 P CA -0.609 62.581 63.100 0.150 0.000 0.798 118 P CB 1.109 32.925 31.700 0.193 0.000 0.979 119 L N 0.640 121.910 121.223 0.078 0.000 2.021 119 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 119 L C 0.813 177.694 176.870 0.019 0.000 1.074 119 L CA 2.147 57.015 54.840 0.047 0.000 0.760 119 L CB -0.686 41.419 42.059 0.078 0.000 0.889 119 L HN 0.388 nan 8.230 nan 0.000 0.433 120 Q N -0.749 119.059 119.800 0.014 0.000 2.377 120 Q HA 0.388 4.728 4.340 -0.000 0.000 0.271 120 Q C -0.766 175.174 176.000 -0.100 0.000 1.077 120 Q CA -0.919 54.867 55.803 -0.028 0.000 0.820 120 Q CB 1.951 30.674 28.738 -0.024 0.000 1.347 120 Q HN -0.086 nan 8.270 nan 0.000 0.444 121 V N 3.359 123.167 119.914 -0.177 0.000 2.585 121 V HA 0.075 4.195 4.120 -0.000 0.000 0.296 121 V C -1.926 173.943 176.094 -0.376 0.000 1.035 121 V CA -0.888 61.148 62.300 -0.440 0.000 1.084 121 V CB 0.029 31.623 31.823 -0.381 0.000 0.953 121 V HN 0.602 nan 8.190 nan 0.000 0.483 122 P HA 0.034 nan 4.420 nan 0.000 0.265 122 P C 0.387 177.577 177.300 -0.184 0.000 1.187 122 P CA -0.084 62.866 63.100 -0.251 0.000 0.766 122 P CB 0.411 31.979 31.700 -0.220 0.000 0.820 123 D N 2.265 122.605 120.400 -0.099 0.000 2.170 123 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 123 D C 1.068 177.333 176.300 -0.059 0.000 1.004 123 D CA 1.720 55.682 54.000 -0.063 0.000 0.860 123 D CB -0.410 40.371 40.800 -0.031 0.000 0.931 123 D HN 0.527 nan 8.370 nan 0.000 0.448 124 E N -0.065 120.101 120.200 -0.056 0.000 2.481 124 E HA 0.065 4.415 4.350 -0.000 0.000 0.195 124 E C 0.134 176.713 176.600 -0.036 0.000 1.047 124 E CA -0.083 56.297 56.400 -0.033 0.000 0.867 124 E CB 0.357 30.049 29.700 -0.014 0.000 0.858 124 E HN 0.047 nan 8.360 nan 0.000 0.513 125 V N 2.227 122.094 119.914 -0.078 0.000 2.397 125 V HA 0.009 4.129 4.120 -0.000 0.000 0.262 125 V C 0.932 176.999 176.094 -0.045 0.000 1.047 125 V CA 0.629 62.888 62.300 -0.070 0.000 1.003 125 V CB 0.668 32.384 31.823 -0.178 0.000 1.037 125 V HN 0.182 nan 8.190 nan 0.000 0.480 126 K N 2.323 122.718 120.400 -0.009 0.000 2.353 126 K HA 0.166 4.486 4.320 -0.000 0.000 0.206 126 K C 1.042 177.649 176.600 0.012 0.000 1.191 126 K CA 0.385 56.670 56.287 -0.003 0.000 0.897 126 K CB 0.442 32.942 32.500 0.000 0.000 1.283 126 K HN 0.672 nan 8.250 nan 0.000 0.477 127 S N 0.187 115.905 115.700 0.029 0.000 2.669 127 S HA 0.183 4.653 4.470 -0.000 0.000 0.270 127 S C 1.105 175.742 174.600 0.062 0.000 1.225 127 S CA -0.579 57.643 58.200 0.037 0.000 0.991 127 S CB 1.701 64.924 63.200 0.040 0.000 0.987 127 S HN 0.042 nan 8.310 nan 0.000 0.552 128 S N 1.344 117.078 115.700 0.057 0.000 2.374 128 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 128 S C 2.140 176.835 174.600 0.158 0.000 1.037 128 S CA 1.777 60.029 58.200 0.088 0.000 1.024 128 S CB -0.791 62.442 63.200 0.055 0.000 0.861 128 S HN 0.742 nan 8.310 nan 0.000 0.456 129 S N 1.544 117.317 115.700 0.122 0.000 2.356 129 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 129 S C 1.582 176.269 174.600 0.145 0.000 1.032 129 S CA 1.218 59.495 58.200 0.128 0.000 1.005 129 S CB -0.546 62.705 63.200 0.086 0.000 0.867 129 S HN 0.455 nan 8.310 nan 0.000 0.449 130 D N 1.213 121.687 120.400 0.123 0.000 2.133 130 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 130 D C 1.868 178.288 176.300 0.200 0.000 0.997 130 D CA 0.707 54.783 54.000 0.127 0.000 0.840 130 D CB -0.436 40.412 40.800 0.080 0.000 0.947 130 D HN 0.167 nan 8.370 nan 0.000 0.452 131 L N 0.426 121.796 121.223 0.244 0.000 2.027 131 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 131 L C 2.230 179.457 176.870 0.595 0.000 1.074 131 L CA 1.090 56.173 54.840 0.404 0.000 0.745 131 L CB -0.805 41.479 42.059 0.375 0.000 0.898 131 L HN 0.026 nan 8.230 nan 0.000 0.433 132 L N -0.376 121.161 121.223 0.524 0.000 2.013 132 L HA -0.252 4.087 4.340 -0.000 0.000 0.212 132 L C 2.673 179.629 176.870 0.144 0.000 1.073 132 L CA 1.856 56.883 54.840 0.311 0.000 0.753 132 L CB -0.564 41.628 42.059 0.222 0.000 0.890 132 L HN 0.218 nan 8.230 nan 0.000 0.432 133 R N -1.721 118.879 120.500 0.167 0.000 2.081 133 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 133 R C 2.212 178.601 176.300 0.149 0.000 1.131 133 R CA 1.654 57.827 56.100 0.121 0.000 0.960 133 R CB -0.717 29.652 30.300 0.116 0.000 0.856 133 R HN 0.412 nan 8.270 nan 0.000 0.436 134 F N 0.568 120.557 119.950 0.065 0.000 2.065 134 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 134 F C 1.673 177.498 175.800 0.043 0.000 1.112 134 F CA 1.520 59.517 58.000 -0.005 0.000 1.212 134 F CB -0.505 38.407 39.000 -0.146 0.000 0.975 134 F HN -0.058 nan 8.300 nan 0.000 0.476 135 Y N 0.373 120.668 120.300 -0.009 0.000 2.293 135 Y HA -0.164 4.386 4.550 0.000 0.000 0.291 135 Y C 2.624 178.629 175.900 0.175 0.000 1.137 135 Y CA 1.456 59.560 58.100 0.006 0.000 1.202 135 Y CB -0.879 37.569 38.460 -0.020 0.000 0.990 135 Y HN 0.145 nan 8.280 nan 0.000 0.537 136 Q N 0.098 119.976 119.800 0.130 0.000 2.170 136 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 136 Q C 1.271 177.366 176.000 0.159 0.000 0.976 136 Q CA 1.432 57.304 55.803 0.114 0.000 0.858 136 Q CB -0.476 28.252 28.738 -0.017 0.000 0.907 136 Q HN 0.669 nan 8.270 nan 0.000 0.433 137 N N -0.983 117.770 118.700 0.089 0.000 2.373 137 N HA -0.041 4.699 4.740 -0.000 0.000 0.181 137 N C -0.069 175.443 175.510 0.003 0.000 1.082 137 N CA -0.387 52.683 53.050 0.033 0.000 0.885 137 N CB 0.186 38.686 38.487 0.022 0.000 0.977 137 N HN 0.158 nan 8.380 nan 0.000 0.462 138 W N 2.835 124.020 121.300 -0.192 0.000 2.251 138 W HA 0.112 4.771 4.660 -0.000 0.000 0.327 138 W C -0.638 175.766 176.519 -0.191 0.000 1.361 138 W CA -0.067 57.118 57.345 -0.267 0.000 1.234 138 W CB 0.578 29.825 29.460 -0.355 0.000 1.212 138 W HN -0.077 nan 8.180 nan 0.000 0.557 139 Q N 8.179 127.363 119.800 -1.027 0.000 2.331 139 Q HA 0.319 4.659 4.340 -0.000 0.000 0.267 139 Q C -2.102 173.007 176.000 -1.485 0.000 1.006 139 Q CA -2.020 53.142 55.803 -1.069 0.000 0.818 139 Q CB 1.529 29.939 28.738 -0.547 0.000 1.276 139 Q HN 0.400 nan 8.270 nan 0.000 0.450 140 P HA 0.079 nan 4.420 nan 0.000 0.271 140 P C -0.138 176.756 177.300 -0.677 0.000 1.218 140 P CA 0.066 62.486 63.100 -1.132 0.000 0.780 140 P CB 0.937 32.169 31.700 -0.780 0.000 0.901 141 A N 2.807 125.238 122.820 -0.647 0.000 2.016 141 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 141 A C 0.442 177.389 177.584 -1.061 0.000 1.162 141 A CA 0.728 52.150 52.037 -1.024 0.000 0.662 141 A CB -0.235 17.718 19.000 -1.745 0.000 0.812 141 A HN 0.604 nan 8.150 nan 0.000 0.450 142 W N -2.946 118.299 121.300 -0.091 0.000 3.075 142 W HA 0.627 5.287 4.660 -0.000 0.000 0.334 142 W C -0.036 176.421 176.519 -0.102 0.000 1.243 142 W CA -1.262 56.034 57.345 -0.081 0.000 1.170 142 W CB 0.938 30.365 29.460 -0.055 0.000 1.452 142 W HN 0.140 nan 8.180 nan 0.000 0.572 143 A N 2.317 125.221 122.820 0.141 0.000 2.406 143 A HA 0.526 4.846 4.320 -0.000 0.000 0.243 143 A C -2.245 175.339 177.584 0.000 0.000 1.082 143 A CA -0.733 51.323 52.037 0.032 0.000 0.786 143 A CB -0.734 18.284 19.000 0.031 0.000 1.029 143 A HN 0.142 nan 8.150 nan 0.000 0.495 144 P HA 0.306 nan 4.420 nan 0.000 0.269 144 P C 0.805 177.946 177.300 -0.266 0.000 1.209 144 P CA 1.597 64.501 63.100 -0.327 0.000 0.776 144 P CB 0.589 32.000 31.700 -0.482 0.000 0.876 145 G N 1.545 110.146 108.800 -0.333 0.000 2.160 145 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 145 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 145 G C 0.655 175.488 174.900 -0.112 0.000 1.008 145 G CA 0.717 45.783 45.100 -0.058 0.000 0.724 145 G HN 0.670 nan 8.290 nan 0.000 0.514 146 T N -4.926 109.523 114.554 -0.176 0.000 2.987 146 T HA 0.456 4.806 4.350 -0.000 0.000 0.248 146 T C 0.553 175.090 174.700 -0.271 0.000 0.997 146 T CA 0.817 62.833 62.100 -0.140 0.000 1.013 146 T CB 0.670 69.500 68.868 -0.062 0.000 1.077 146 T HN 0.302 nan 8.240 nan 0.000 0.483 147 Q N 0.844 120.434 119.800 -0.350 0.000 2.359 147 Q HA 0.476 4.816 4.340 -0.000 0.000 0.274 147 Q C -1.439 174.349 176.000 -0.353 0.000 1.074 147 Q CA -0.518 54.996 55.803 -0.481 0.000 0.810 147 Q CB 3.204 31.333 28.738 -1.016 0.000 1.342 147 Q HN 0.373 nan 8.270 nan 0.000 0.427 148 R N 2.136 122.465 120.500 -0.286 0.000 2.255 148 R HA 0.546 4.886 4.340 -0.000 0.000 0.326 148 R C -1.224 175.052 176.300 -0.040 0.000 0.986 148 R CA -0.564 55.463 56.100 -0.121 0.000 0.847 148 R CB 0.505 30.773 30.300 -0.055 0.000 1.111 148 R HN 0.480 nan 8.270 nan 0.000 0.452 149 L N 5.985 127.255 121.223 0.078 0.000 2.388 149 L HA 0.270 4.610 4.340 -0.000 0.000 0.267 149 L C -1.302 175.607 176.870 0.066 0.000 0.995 149 L CA -0.705 54.205 54.840 0.116 0.000 0.864 149 L CB 0.940 43.154 42.059 0.258 0.000 1.216 149 L HN 0.621 nan 8.230 nan 0.000 0.430 150 Y N 4.804 124.973 120.300 -0.218 0.000 2.881 150 Y HA 0.298 4.848 4.550 -0.000 0.000 0.335 150 Y C 0.079 175.782 175.900 -0.329 0.000 1.263 150 Y CA 1.023 58.760 58.100 -0.605 0.000 1.572 150 Y CB 0.365 38.551 38.460 -0.457 0.000 1.237 150 Y HN 0.805 nan 8.280 nan 0.000 0.568 151 A N 5.877 128.229 122.820 -0.781 0.000 2.480 151 A HA 0.282 4.602 4.320 -0.000 0.000 0.289 151 A C -0.047 177.404 177.584 -0.222 0.000 1.044 151 A CA -0.892 50.977 52.037 -0.280 0.000 0.761 151 A CB 0.745 19.741 19.000 -0.007 0.000 1.289 151 A HN 0.796 nan 8.150 nan 0.000 0.401 152 N N 1.233 119.834 118.700 -0.165 0.000 2.223 152 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 152 N C 1.988 177.514 175.510 0.027 0.000 1.016 152 N CA 1.892 54.904 53.050 -0.064 0.000 0.863 152 N CB -0.075 38.389 38.487 -0.037 0.000 0.983 152 N HN 0.844 nan 8.380 nan 0.000 0.429 153 S N -0.949 114.790 115.700 0.065 0.000 2.507 153 S HA 0.030 4.500 4.470 -0.000 0.000 0.235 153 S C 1.984 176.736 174.600 0.255 0.000 0.988 153 S CA 0.937 59.248 58.200 0.186 0.000 0.944 153 S CB 0.034 63.352 63.200 0.196 0.000 0.762 153 S HN 0.209 nan 8.310 nan 0.000 0.526 154 S N 1.024 116.823 115.700 0.165 0.000 2.370 154 S HA 0.276 4.746 4.470 -0.000 0.000 0.214 154 S C 1.608 176.296 174.600 0.146 0.000 1.033 154 S CA 0.331 58.631 58.200 0.166 0.000 0.941 154 S CB -0.528 62.782 63.200 0.183 0.000 0.886 154 S HN 0.544 nan 8.310 nan 0.000 0.521 155 I N 1.368 122.022 120.570 0.142 0.000 2.546 155 I HA 0.033 4.203 4.170 -0.000 0.000 0.255 155 I C 2.147 178.338 176.117 0.123 0.000 1.163 155 I CA 1.146 62.519 61.300 0.123 0.000 1.457 155 I CB -0.597 37.462 38.000 0.098 0.000 1.092 155 I HN 0.487 nan 8.210 nan 0.000 0.434 156 G N 1.081 109.916 108.800 0.058 0.000 2.446 156 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 156 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 156 G C 1.543 176.398 174.900 -0.076 0.000 1.168 156 G CA 0.998 46.077 45.100 -0.036 0.000 0.771 156 G HN 0.387 nan 8.290 nan 0.000 0.551 157 L N -0.300 120.922 121.223 -0.001 0.000 2.056 157 L HA 0.141 4.481 4.340 -0.000 0.000 0.207 157 L C 2.448 179.271 176.870 -0.078 0.000 1.078 157 L CA 1.521 56.304 54.840 -0.094 0.000 0.749 157 L CB -0.747 41.216 42.059 -0.159 0.000 0.901 157 L HN 0.231 nan 8.230 nan 0.000 0.433 158 F N 0.467 120.357 119.950 -0.100 0.000 2.091 158 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 158 F C 2.161 177.897 175.800 -0.106 0.000 1.103 158 F CA 1.989 59.931 58.000 -0.096 0.000 1.228 158 F CB -1.056 37.897 39.000 -0.077 0.000 0.984 158 F HN 0.126 nan 8.300 nan 0.000 0.477 159 G N -0.488 108.184 108.800 -0.214 0.000 2.418 159 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 159 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 159 G C 1.815 176.547 174.900 -0.280 0.000 1.158 159 G CA 0.910 45.852 45.100 -0.263 0.000 0.771 159 G HN 0.670 nan 8.290 nan 0.000 0.545 160 A N 0.393 123.000 122.820 -0.355 0.000 1.933 160 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 160 A C 2.418 179.837 177.584 -0.275 0.000 1.175 160 A CA 1.210 53.065 52.037 -0.304 0.000 0.628 160 A CB -0.307 18.484 19.000 -0.348 0.000 0.814 160 A HN 0.365 nan 8.150 nan 0.000 0.444 161 L N -1.127 119.903 121.223 -0.321 0.000 2.131 161 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 161 L C 3.028 179.677 176.870 -0.369 0.000 1.087 161 L CA 0.793 55.459 54.840 -0.290 0.000 0.767 161 L CB -0.598 41.332 42.059 -0.214 0.000 0.917 161 L HN 0.404 nan 8.230 nan 0.000 0.441 162 A N 0.449 122.946 122.820 -0.538 0.000 1.978 162 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 162 A C 2.150 179.538 177.584 -0.327 0.000 1.170 162 A CA 1.973 53.656 52.037 -0.590 0.000 0.636 162 A CB -0.775 17.708 19.000 -0.863 0.000 0.810 162 A HN 0.360 nan 8.150 nan 0.000 0.448 163 V N -3.908 115.878 119.914 -0.214 0.000 3.623 163 V HA 0.058 4.178 4.120 -0.000 0.000 0.271 163 V C 1.675 177.711 176.094 -0.096 0.000 1.248 163 V CA 0.982 63.203 62.300 -0.132 0.000 1.156 163 V CB -0.427 31.347 31.823 -0.082 0.000 0.870 163 V HN 0.246 nan 8.190 nan 0.000 0.453 164 K N 1.518 121.863 120.400 -0.092 0.000 2.026 164 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 164 K C 0.236 176.836 176.600 -0.000 0.000 1.048 164 K CA 1.787 58.050 56.287 -0.039 0.000 0.929 164 K CB -1.887 30.607 32.500 -0.010 0.000 0.713 164 K HN 0.463 nan 8.250 nan 0.000 0.439 165 P HA -0.121 nan 4.420 nan 0.000 0.218 165 P C 1.454 178.756 177.300 0.003 0.000 1.148 165 P CA 1.528 64.654 63.100 0.044 0.000 0.822 165 P CB -0.078 31.672 31.700 0.083 0.000 0.784 166 S N -1.290 114.396 115.700 -0.024 0.000 2.447 166 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 166 S C 1.922 176.501 174.600 -0.036 0.000 1.006 166 S CA 1.018 59.195 58.200 -0.038 0.000 0.957 166 S CB -1.660 61.501 63.200 -0.064 0.000 0.773 166 S HN 0.299 nan 8.310 nan 0.000 0.507 167 G N 0.742 109.522 108.800 -0.033 0.000 2.196 167 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.268 167 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.268 167 G C 0.023 174.898 174.900 -0.042 0.000 0.975 167 G CA 0.778 45.858 45.100 -0.032 0.000 0.648 167 G HN 0.605 nan 8.290 nan 0.000 0.538 168 L N 1.357 122.547 121.223 -0.055 0.000 2.399 168 L HA 0.538 4.878 4.340 -0.000 0.000 0.266 168 L C 1.538 178.371 176.870 -0.060 0.000 1.114 168 L CA -0.226 54.575 54.840 -0.065 0.000 0.804 168 L CB 1.190 43.194 42.059 -0.092 0.000 1.146 168 L HN 0.382 nan 8.230 nan 0.000 0.451 169 S N 0.598 116.267 115.700 -0.052 0.000 2.576 169 S HA -0.016 4.454 4.470 -0.000 0.000 0.272 169 S C 0.877 175.458 174.600 -0.031 0.000 1.352 169 S CA -0.319 57.864 58.200 -0.027 0.000 1.021 169 S CB 0.354 63.545 63.200 -0.015 0.000 0.887 169 S HN 0.549 nan 8.310 nan 0.000 0.542 170 F N 1.268 121.142 119.950 -0.127 0.000 2.095 170 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 170 F C 2.485 178.189 175.800 -0.160 0.000 1.104 170 F CA 2.286 60.196 58.000 -0.150 0.000 1.232 170 F CB -0.489 38.425 39.000 -0.143 0.000 0.987 170 F HN 0.942 nan 8.300 nan 0.000 0.475 171 E N -0.555 119.606 120.200 -0.066 0.000 2.051 171 E HA -0.252 4.097 4.350 -0.000 0.000 0.192 171 E C 2.201 178.646 176.600 -0.258 0.000 0.991 171 E CA 1.362 57.665 56.400 -0.162 0.000 0.799 171 E CB -0.132 29.571 29.700 0.005 0.000 0.748 171 E HN 0.413 nan 8.360 nan 0.000 0.449 172 Q N -0.110 119.585 119.800 -0.175 0.000 2.119 172 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 172 Q C 2.076 177.928 176.000 -0.247 0.000 0.972 172 Q CA 1.280 56.980 55.803 -0.172 0.000 0.847 172 Q CB -0.314 28.362 28.738 -0.103 0.000 0.903 172 Q HN 0.373 nan 8.270 nan 0.000 0.433 173 A N 0.736 123.382 122.820 -0.290 0.000 1.858 173 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 173 A C 2.163 179.475 177.584 -0.455 0.000 1.190 173 A CA 1.901 53.744 52.037 -0.322 0.000 0.617 173 A CB -0.527 18.287 19.000 -0.310 0.000 0.827 173 A HN 0.345 nan 8.150 nan 0.000 0.443 174 M N -0.312 118.875 119.600 -0.689 0.000 2.080 174 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 174 M C 2.242 177.966 176.300 -0.961 0.000 1.068 174 M CA 2.442 57.190 55.300 -0.920 0.000 1.109 174 M CB -0.548 31.318 32.600 -1.222 0.000 1.342 174 M HN 0.598 nan 8.290 nan 0.000 0.405 175 Q N -1.147 118.214 119.800 -0.733 0.000 2.046 175 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 175 Q C 1.708 177.529 176.000 -0.298 0.000 0.975 175 Q CA 2.416 57.922 55.803 -0.495 0.000 0.836 175 Q CB -0.200 28.358 28.738 -0.301 0.000 0.896 175 Q HN 0.739 nan 8.270 nan 0.000 0.428 176 T N -2.574 111.829 114.554 -0.252 0.000 3.014 176 T HA 0.064 4.414 4.350 -0.000 0.000 0.263 176 T C 1.626 176.242 174.700 -0.141 0.000 1.078 176 T CA 0.536 62.540 62.100 -0.160 0.000 1.135 176 T CB 0.006 68.797 68.868 -0.129 0.000 0.895 176 T HN 0.232 nan 8.240 nan 0.000 0.480 177 R N -0.121 120.267 120.500 -0.186 0.000 2.282 177 R HA 0.383 4.723 4.340 -0.000 0.000 0.195 177 R C 1.508 177.754 176.300 -0.089 0.000 0.909 177 R CA 0.242 56.264 56.100 -0.130 0.000 1.039 177 R CB 0.464 30.679 30.300 -0.142 0.000 1.015 177 R HN 0.293 nan 8.270 nan 0.000 0.513 178 V N -1.118 118.712 119.914 -0.140 0.000 3.161 178 V HA 0.033 4.153 4.120 -0.000 0.000 0.221 178 V C 1.365 177.534 176.094 0.126 0.000 1.296 178 V CA 0.398 62.698 62.300 0.001 0.000 1.306 178 V CB -0.332 31.469 31.823 -0.036 0.000 1.171 178 V HN -0.025 nan 8.190 nan 0.000 0.513 179 F N 1.539 121.419 119.950 -0.117 0.000 2.075 179 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 179 F C 2.610 178.331 175.800 -0.132 0.000 1.113 179 F CA 1.615 59.511 58.000 -0.174 0.000 1.218 179 F CB -1.141 37.644 39.000 -0.360 0.000 0.984 179 F HN 0.200 nan 8.300 nan 0.000 0.472 180 Q N -0.421 119.407 119.800 0.047 0.000 2.046 180 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 180 Q C -0.376 175.628 176.000 0.006 0.000 0.975 180 Q CA 1.532 57.325 55.803 -0.015 0.000 0.836 180 Q CB -1.362 27.340 28.738 -0.059 0.000 0.896 180 Q HN 0.255 nan 8.270 nan 0.000 0.428 181 P HA -0.140 nan 4.420 nan 0.000 0.220 181 P C 0.551 177.881 177.300 0.050 0.000 1.148 181 P CA 1.186 64.301 63.100 0.025 0.000 0.803 181 P CB 0.073 31.789 31.700 0.028 0.000 0.782 182 L N -1.319 119.960 121.223 0.093 0.000 2.611 182 L HA 0.160 4.500 4.340 -0.000 0.000 0.229 182 L C 0.421 177.343 176.870 0.088 0.000 1.137 182 L CA 0.078 54.989 54.840 0.119 0.000 0.901 182 L CB -0.646 41.552 42.059 0.232 0.000 1.098 182 L HN -0.053 nan 8.230 nan 0.000 0.456 183 K N 0.710 121.137 120.400 0.045 0.000 3.117 183 K HA -0.170 4.150 4.320 -0.000 0.000 0.269 183 K C -0.259 176.340 176.600 -0.002 0.000 1.098 183 K CA 0.429 56.722 56.287 0.010 0.000 0.785 183 K CB -1.912 30.598 32.500 0.017 0.000 1.242 183 K HN 0.348 nan 8.250 nan 0.000 0.491 184 L N 1.359 122.570 121.223 -0.019 0.000 2.387 184 L HA 0.129 4.469 4.340 -0.000 0.000 0.267 184 L C 1.025 177.741 176.870 -0.257 0.000 1.197 184 L CA -0.429 54.346 54.840 -0.108 0.000 1.070 184 L CB 0.036 42.002 42.059 -0.156 0.000 1.349 184 L HN 0.141 nan 8.230 nan 0.000 0.422 185 N N 0.395 118.965 118.700 -0.216 0.000 2.398 185 N HA 0.002 4.742 4.740 -0.000 0.000 0.188 185 N C 0.534 175.650 175.510 -0.657 0.000 1.122 185 N CA 0.526 53.342 53.050 -0.390 0.000 0.866 185 N CB 0.303 38.594 38.487 -0.326 0.000 0.970 185 N HN 0.528 nan 8.380 nan 0.000 0.462 186 H N -0.771 118.193 119.070 -0.178 0.000 2.676 186 H HA 0.271 4.827 4.556 -0.000 0.000 0.238 186 H C -0.404 174.801 175.328 -0.206 0.000 1.276 186 H CA -0.091 55.912 56.048 -0.074 0.000 0.983 186 H CB 0.402 30.153 29.762 -0.018 0.000 2.000 186 H HN -0.145 nan 8.280 nan 0.000 0.584 187 T N 0.795 115.022 114.554 -0.545 0.000 2.848 187 T HA 0.361 4.711 4.350 -0.000 0.000 0.285 187 T C -0.806 173.174 174.700 -1.199 0.000 0.995 187 T CA -0.458 61.125 62.100 -0.861 0.000 0.970 187 T CB 1.568 69.679 68.868 -1.261 0.000 0.976 187 T HN 0.249 nan 8.240 nan 0.000 0.441 188 W N 1.622 122.585 121.300 -0.562 0.000 3.167 188 W HA 0.538 5.198 4.660 0.000 0.000 0.324 188 W C 0.531 176.938 176.519 -0.186 0.000 1.230 188 W CA -0.805 56.382 57.345 -0.264 0.000 1.184 188 W CB 1.163 30.471 29.460 -0.254 0.000 1.414 188 W HN 0.499 nan 8.180 nan 0.000 0.551 189 I N 1.410 122.127 120.570 0.245 0.000 2.494 189 I HA -0.035 4.135 4.170 -0.000 0.000 0.250 189 I C 0.367 176.531 176.117 0.078 0.000 1.112 189 I CA 0.823 62.200 61.300 0.129 0.000 1.438 189 I CB -0.037 38.051 38.000 0.147 0.000 1.111 189 I HN 0.256 nan 8.210 nan 0.000 0.431 190 N N 1.388 120.167 118.700 0.133 0.000 2.476 190 N HA 0.248 4.988 4.740 -0.000 0.000 0.257 190 N C -0.849 174.571 175.510 -0.150 0.000 0.970 190 N CA -0.212 52.834 53.050 -0.007 0.000 0.938 190 N CB 2.497 40.985 38.487 0.002 0.000 1.144 190 N HN -0.189 nan 8.380 nan 0.000 0.500 191 V N 4.874 124.609 119.914 -0.298 0.000 2.479 191 V HA 0.129 4.249 4.120 -0.000 0.000 0.281 191 V C -1.439 174.308 176.094 -0.579 0.000 1.031 191 V CA -0.766 61.201 62.300 -0.555 0.000 1.038 191 V CB 0.382 31.864 31.823 -0.568 0.000 0.981 191 V HN 0.522 nan 8.190 nan 0.000 0.478 192 P HA 0.332 nan 4.420 nan 0.000 0.278 192 P C -2.370 174.702 177.300 -0.381 0.000 1.266 192 P CA -1.976 60.750 63.100 -0.623 0.000 0.807 192 P CB 0.681 31.871 31.700 -0.849 0.000 1.094 193 P HA -0.152 nan 4.420 nan 0.000 0.216 193 P C 1.476 178.698 177.300 -0.130 0.000 1.150 193 P CA 1.988 64.999 63.100 -0.148 0.000 0.837 193 P CB -0.480 31.159 31.700 -0.103 0.000 0.786 194 A N -0.117 122.616 122.820 -0.146 0.000 2.024 194 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 194 A C 2.010 179.543 177.584 -0.086 0.000 1.164 194 A CA 1.521 53.500 52.037 -0.095 0.000 0.643 194 A CB -0.777 18.176 19.000 -0.077 0.000 0.806 194 A HN 0.117 nan 8.150 nan 0.000 0.451 195 E N -0.643 119.464 120.200 -0.155 0.000 2.472 195 E HA 0.004 4.354 4.350 -0.000 0.000 0.196 195 E C 1.411 177.959 176.600 -0.088 0.000 1.033 195 E CA 0.108 56.437 56.400 -0.119 0.000 0.886 195 E CB -0.018 29.556 29.700 -0.209 0.000 0.944 195 E HN 0.745 nan 8.360 nan 0.000 0.492 196 E N 1.367 121.517 120.200 -0.082 0.000 2.130 196 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 196 E C 1.973 178.582 176.600 0.015 0.000 0.998 196 E CA 1.431 57.821 56.400 -0.017 0.000 0.806 196 E CB -0.064 29.623 29.700 -0.022 0.000 0.738 196 E HN 0.231 nan 8.360 nan 0.000 0.459 197 K N 0.225 120.631 120.400 0.010 0.000 2.362 197 K HA -0.064 4.256 4.320 -0.000 0.000 0.200 197 K C 1.167 177.786 176.600 0.032 0.000 1.046 197 K CA 1.110 57.414 56.287 0.028 0.000 0.952 197 K CB 0.095 32.608 32.500 0.023 0.000 0.753 197 K HN -0.007 nan 8.250 nan 0.000 0.466 198 N N -0.013 118.701 118.700 0.024 0.000 2.280 198 N HA -0.058 4.682 4.740 -0.000 0.000 0.192 198 N C -0.661 174.876 175.510 0.045 0.000 1.109 198 N CA 0.077 53.140 53.050 0.022 0.000 0.855 198 N CB 0.149 38.638 38.487 0.004 0.000 0.974 198 N HN 0.179 nan 8.380 nan 0.000 0.482 199 Y N 3.013 123.230 120.300 -0.139 0.000 2.539 199 Y HA 0.422 4.972 4.550 -0.000 0.000 0.352 199 Y C 0.177 175.973 175.900 -0.173 0.000 1.004 199 Y CA -1.843 56.132 58.100 -0.209 0.000 1.278 199 Y CB -0.567 37.696 38.460 -0.328 0.000 1.136 199 Y HN -0.047 nan 8.280 nan 0.000 0.528 200 A N 6.054 128.952 122.820 0.129 0.000 2.520 200 A HA 0.087 4.407 4.320 -0.000 0.000 0.235 200 A C -0.487 177.136 177.584 0.065 0.000 1.065 200 A CA -0.272 51.808 52.037 0.072 0.000 0.764 200 A CB 0.061 19.052 19.000 -0.014 0.000 1.002 200 A HN 0.862 nan 8.150 nan 0.000 0.502 201 W N 0.761 122.074 121.300 0.022 0.000 2.218 201 W HA 0.466 5.126 4.660 0.000 0.000 0.326 201 W C 0.975 177.204 176.519 -0.484 0.000 1.276 201 W CA 0.619 57.766 57.345 -0.330 0.000 1.210 201 W CB 0.874 29.972 29.460 -0.604 0.000 1.143 201 W HN 0.936 nan 8.180 nan 0.000 0.563 202 G N 1.386 109.998 108.800 -0.313 0.000 2.507 202 G HA2 0.445 4.405 3.960 -0.000 0.000 0.271 202 G HA3 0.445 4.405 3.960 -0.000 0.000 0.271 202 G C -2.066 172.431 174.900 -0.672 0.000 1.189 202 G CA -0.488 44.163 45.100 -0.749 0.000 0.859 202 G HN 0.427 nan 8.290 nan 0.000 0.542 203 Y N -0.145 120.070 120.300 -0.142 0.000 2.326 203 Y HA 0.504 5.054 4.550 -0.000 0.000 0.329 203 Y C 0.469 176.363 175.900 -0.011 0.000 0.973 203 Y CA -0.778 57.295 58.100 -0.046 0.000 1.162 203 Y CB 2.058 40.499 38.460 -0.033 0.000 1.147 203 Y HN 0.493 nan 8.280 nan 0.000 0.456 204 R N 2.552 123.112 120.500 0.100 0.000 2.476 204 R HA 0.333 4.673 4.340 -0.000 0.000 0.305 204 R C -0.580 175.767 176.300 0.079 0.000 0.965 204 R CA -0.489 55.664 56.100 0.088 0.000 0.867 204 R CB 0.734 31.075 30.300 0.068 0.000 1.176 204 R HN 0.875 nan 8.270 nan 0.000 0.447 205 E N 2.762 123.007 120.200 0.075 0.000 2.238 205 E HA -0.273 4.077 4.350 -0.000 0.000 0.219 205 E C 0.655 177.291 176.600 0.059 0.000 1.275 205 E CA 0.902 57.335 56.400 0.056 0.000 0.714 205 E CB -1.109 28.615 29.700 0.040 0.000 1.154 205 E HN 1.163 nan 8.360 nan 0.000 0.363 206 G N -0.295 108.560 108.800 0.091 0.000 2.189 206 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.267 206 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.267 206 G C 0.229 175.217 174.900 0.147 0.000 0.975 206 G CA 0.909 46.069 45.100 0.101 0.000 0.644 206 G HN 0.314 nan 8.290 nan 0.000 0.537 207 K N 0.808 121.269 120.400 0.100 0.000 2.156 207 K HA 0.663 4.983 4.320 -0.000 0.000 0.271 207 K C 0.487 177.047 176.600 -0.067 0.000 0.995 207 K CA 0.019 56.318 56.287 0.019 0.000 0.890 207 K CB 1.636 34.122 32.500 -0.023 0.000 1.073 207 K HN 0.429 nan 8.250 nan 0.000 0.454 208 A N 2.595 125.267 122.820 -0.247 0.000 2.409 208 A HA 0.379 4.699 4.320 -0.000 0.000 0.267 208 A C -0.071 177.310 177.584 -0.339 0.000 1.127 208 A CA -0.434 51.237 52.037 -0.610 0.000 0.795 208 A CB -0.155 18.291 19.000 -0.923 0.000 1.061 208 A HN 0.530 nan 8.150 nan 0.000 0.502 209 V N 1.056 120.894 119.914 -0.127 0.000 2.925 209 V HA 0.669 4.789 4.120 -0.000 0.000 0.311 209 V C -0.692 175.496 176.094 0.158 0.000 1.104 209 V CA -0.824 61.515 62.300 0.065 0.000 0.954 209 V CB 1.261 33.115 31.823 0.052 0.000 1.022 209 V HN 0.944 nan 8.190 nan 0.000 0.427 210 H N 0.762 119.949 119.070 0.196 0.000 2.621 210 H HA 0.681 5.237 4.556 -0.000 0.000 0.360 210 H C -0.366 175.033 175.328 0.117 0.000 1.163 210 H CA -0.966 55.120 56.048 0.064 0.000 1.194 210 H CB 2.293 31.933 29.762 -0.204 0.000 1.649 210 H HN 0.798 nan 8.280 nan 0.000 0.532 211 V N 2.088 122.168 119.914 0.276 0.000 2.788 211 V HA -0.006 4.114 4.120 -0.000 0.000 0.307 211 V C -0.353 175.822 176.094 0.135 0.000 1.069 211 V CA 0.524 62.932 62.300 0.180 0.000 1.173 211 V CB 0.863 32.771 31.823 0.142 0.000 0.925 211 V HN 0.754 nan 8.190 nan 0.000 0.492 212 S N 7.939 123.700 115.700 0.102 0.000 2.577 212 S HA 0.470 4.940 4.470 -0.000 0.000 0.294 212 S C -2.314 172.316 174.600 0.049 0.000 1.161 212 S CA -0.756 57.488 58.200 0.073 0.000 1.143 212 S CB 0.963 64.202 63.200 0.066 0.000 0.991 212 S HN 0.886 nan 8.310 nan 0.000 0.475 213 P HA 0.418 nan 4.420 nan 0.000 0.275 213 P C 0.314 177.618 177.300 0.007 0.000 1.227 213 P CA -0.171 62.941 63.100 0.020 0.000 0.781 213 P CB 0.921 32.628 31.700 0.012 0.000 0.906 214 G N 0.718 109.516 108.800 -0.004 0.000 2.828 214 G HA2 0.563 4.523 3.960 -0.000 0.000 0.244 214 G HA3 0.563 4.523 3.960 -0.000 0.000 0.244 214 G C -0.730 174.151 174.900 -0.032 0.000 1.365 214 G CA -0.666 44.423 45.100 -0.017 0.000 1.041 214 G HN 0.666 nan 8.290 nan 0.000 0.560 215 A N -0.988 121.808 122.820 -0.041 0.000 2.546 215 A HA 0.442 4.762 4.320 -0.000 0.000 0.243 215 A C 1.210 178.763 177.584 -0.053 0.000 1.063 215 A CA 0.426 52.437 52.037 -0.044 0.000 0.757 215 A CB -0.587 18.391 19.000 -0.036 0.000 0.991 215 A HN 1.478 nan 8.150 nan 0.000 0.503 216 L N 0.513 121.690 121.223 -0.077 0.000 4.813 216 L HA -0.294 4.046 4.340 -0.000 0.000 0.434 216 L C 0.713 177.516 176.870 -0.111 0.000 1.106 216 L CA 0.802 55.573 54.840 -0.115 0.000 0.991 216 L CB -1.517 40.507 42.059 -0.058 0.000 2.005 216 L HN 0.742 nan 8.230 nan 0.000 0.817 217 D N 0.212 120.566 120.400 -0.076 0.000 2.183 217 D HA 0.015 4.655 4.640 -0.000 0.000 0.203 217 D C 2.067 178.333 176.300 -0.057 0.000 0.969 217 D CA 1.324 55.295 54.000 -0.048 0.000 0.842 217 D CB 0.138 40.928 40.800 -0.017 0.000 0.957 217 D HN 0.569 nan 8.370 nan 0.000 0.484 218 A N 1.021 123.789 122.820 -0.086 0.000 1.883 218 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 218 A C 2.073 179.579 177.584 -0.129 0.000 1.186 218 A CA 1.602 53.605 52.037 -0.057 0.000 0.624 218 A CB -0.437 18.545 19.000 -0.029 0.000 0.822 218 A HN 0.088 nan 8.150 nan 0.000 0.444 219 E N -0.198 119.742 120.200 -0.434 0.000 2.106 219 E HA 0.066 4.416 4.350 -0.000 0.000 0.192 219 E C 2.008 178.510 176.600 -0.164 0.000 0.984 219 E CA 1.302 57.319 56.400 -0.638 0.000 0.806 219 E CB -0.310 28.901 29.700 -0.817 0.000 0.750 219 E HN 0.586 nan 8.360 nan 0.000 0.458 220 A N -0.542 122.224 122.820 -0.089 0.000 2.147 220 A HA 0.394 4.714 4.320 -0.000 0.000 0.211 220 A C 1.579 179.193 177.584 0.049 0.000 1.160 220 A CA 0.890 52.927 52.037 0.001 0.000 0.781 220 A CB 0.358 19.352 19.000 -0.011 0.000 0.842 220 A HN 0.260 nan 8.150 nan 0.000 0.475 221 G N -1.834 106.990 108.800 0.041 0.000 5.310 221 G HA2 0.347 4.307 3.960 -0.000 0.000 0.203 221 G HA3 0.347 4.307 3.960 -0.000 0.000 0.203 221 G C 0.651 175.578 174.900 0.044 0.000 0.800 221 G CA 0.610 45.748 45.100 0.064 0.000 0.754 221 G HN 0.646 nan 8.290 nan 0.000 0.308 222 G N 0.155 108.980 108.800 0.042 0.000 3.088 222 G HA2 0.368 4.328 3.960 -0.000 0.000 0.217 222 G HA3 0.368 4.328 3.960 -0.000 0.000 0.217 222 G C 0.422 175.316 174.900 -0.011 0.000 1.159 222 G CA 0.140 45.255 45.100 0.023 0.000 0.760 222 G HN 0.350 nan 8.290 nan 0.000 0.550 223 V N 0.719 120.609 119.914 -0.041 0.000 2.583 223 V HA 0.372 4.492 4.120 -0.000 0.000 0.287 223 V C -0.228 175.746 176.094 -0.201 0.000 1.051 223 V CA -0.351 61.855 62.300 -0.158 0.000 1.010 223 V CB 1.293 32.915 31.823 -0.335 0.000 0.988 223 V HN 0.130 nan 8.190 nan 0.000 0.478 224 K N 2.615 122.856 120.400 -0.265 0.000 2.270 224 K HA 0.783 5.103 4.320 -0.000 0.000 0.255 224 K C -0.503 175.932 176.600 -0.276 0.000 0.936 224 K CA -0.154 55.955 56.287 -0.296 0.000 0.809 224 K CB 2.004 34.215 32.500 -0.481 0.000 1.131 224 K HN 0.713 nan 8.250 nan 0.000 0.427 225 S N 0.281 115.889 115.700 -0.154 0.000 2.596 225 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 225 S C -1.161 173.485 174.600 0.077 0.000 1.155 225 S CA -0.744 57.385 58.200 -0.117 0.000 0.827 225 S CB 0.994 64.088 63.200 -0.178 0.000 1.130 225 S HN 0.671 nan 8.310 nan 0.000 0.467 226 T N 0.381 114.987 114.554 0.086 0.000 2.912 226 T HA 0.518 4.868 4.350 -0.000 0.000 0.280 226 T C 1.267 176.078 174.700 0.185 0.000 0.989 226 T CA -0.558 61.644 62.100 0.169 0.000 0.995 226 T CB 0.760 69.667 68.868 0.065 0.000 1.077 226 T HN 0.436 nan 8.240 nan 0.000 0.531 227 I N 0.752 121.452 120.570 0.217 0.000 2.361 227 I HA -0.060 4.110 4.170 -0.000 0.000 0.251 227 I C 2.319 178.581 176.117 0.242 0.000 1.133 227 I CA 1.438 62.875 61.300 0.228 0.000 1.413 227 I CB -0.609 37.553 38.000 0.271 0.000 1.073 227 I HN 0.797 nan 8.210 nan 0.000 0.424 228 E N -0.026 120.212 120.200 0.063 0.000 2.047 228 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 228 E C 1.742 178.439 176.600 0.161 0.000 0.987 228 E CA 1.448 57.879 56.400 0.051 0.000 0.799 228 E CB -0.233 29.385 29.700 -0.136 0.000 0.752 228 E HN 0.469 nan 8.360 nan 0.000 0.449 229 D N 0.372 120.843 120.400 0.117 0.000 2.123 229 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 229 D C 1.870 178.299 176.300 0.216 0.000 0.992 229 D CA 1.015 55.089 54.000 0.123 0.000 0.833 229 D CB -0.059 40.756 40.800 0.024 0.000 0.954 229 D HN 0.078 nan 8.370 nan 0.000 0.455 230 M N 0.272 120.015 119.600 0.239 0.000 2.175 230 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 230 M C 2.255 178.747 176.300 0.319 0.000 1.063 230 M CA 0.722 56.221 55.300 0.333 0.000 1.119 230 M CB -1.082 31.692 32.600 0.290 0.000 1.377 230 M HN -0.016 nan 8.290 nan 0.000 0.415 231 A N -0.034 122.950 122.820 0.273 0.000 1.902 231 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 231 A C 2.385 180.048 177.584 0.132 0.000 1.181 231 A CA 1.922 54.075 52.037 0.193 0.000 0.623 231 A CB -0.700 18.439 19.000 0.232 0.000 0.818 231 A HN 0.453 nan 8.150 nan 0.000 0.443 232 R N -1.393 119.212 120.500 0.176 0.000 2.092 232 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 232 R C 2.128 178.531 176.300 0.172 0.000 1.119 232 R CA 1.457 57.639 56.100 0.136 0.000 0.970 232 R CB -0.372 30.019 30.300 0.151 0.000 0.864 232 R HN 0.830 nan 8.270 nan 0.000 0.440 233 W N 0.367 121.695 121.300 0.046 0.000 2.335 233 W HA -0.225 4.435 4.660 0.000 0.000 0.311 233 W C 1.405 177.866 176.519 -0.098 0.000 1.213 233 W CA 1.338 58.696 57.345 0.022 0.000 1.274 233 W CB -0.073 29.450 29.460 0.104 0.000 1.148 233 W HN -0.021 nan 8.180 nan 0.000 0.498 234 V N 1.218 121.061 119.914 -0.119 0.000 2.343 234 V HA -0.348 3.772 4.120 -0.000 0.000 0.247 234 V C 2.380 178.145 176.094 -0.549 0.000 1.051 234 V CA 2.265 64.287 62.300 -0.462 0.000 1.036 234 V CB -1.113 30.566 31.823 -0.239 0.000 0.654 234 V HN 0.243 nan 8.190 nan 0.000 0.451 235 Q N -0.158 119.468 119.800 -0.291 0.000 2.096 235 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 235 Q C 2.473 178.292 176.000 -0.301 0.000 0.982 235 Q CA 2.045 57.694 55.803 -0.257 0.000 0.850 235 Q CB -0.255 28.403 28.738 -0.132 0.000 0.901 235 Q HN 0.627 nan 8.270 nan 0.000 0.422 236 S N 0.665 116.191 115.700 -0.290 0.000 2.387 236 S HA -0.053 4.416 4.470 -0.000 0.000 0.226 236 S C 1.481 175.820 174.600 -0.435 0.000 1.026 236 S CA 0.807 58.842 58.200 -0.275 0.000 0.972 236 S CB -0.109 63.000 63.200 -0.151 0.000 0.814 236 S HN 0.379 nan 8.310 nan 0.000 0.477 237 N N 1.089 119.357 118.700 -0.720 0.000 2.376 237 N HA 0.157 4.896 4.740 -0.000 0.000 0.177 237 N C 1.566 176.579 175.510 -0.828 0.000 1.024 237 N CA 0.407 52.948 53.050 -0.848 0.000 0.893 237 N CB -0.097 37.654 38.487 -1.228 0.000 0.980 237 N HN 0.318 nan 8.380 nan 0.000 0.439 238 L N 0.606 121.315 121.223 -0.856 0.000 2.056 238 L HA -0.052 4.287 4.340 -0.000 0.000 0.207 238 L C 0.873 177.566 176.870 -0.294 0.000 1.078 238 L CA 1.219 55.743 54.840 -0.525 0.000 0.749 238 L CB 0.069 41.870 42.059 -0.431 0.000 0.901 238 L HN -0.075 nan 8.230 nan 0.000 0.433 239 K N -0.708 119.528 120.400 -0.274 0.000 2.954 239 K HA 0.194 4.514 4.320 -0.000 0.000 0.171 239 K C -1.870 174.636 176.600 -0.157 0.000 1.079 239 K CA -1.143 55.035 56.287 -0.181 0.000 0.908 239 K CB 1.183 33.592 32.500 -0.152 0.000 1.142 239 K HN -0.083 nan 8.250 nan 0.000 0.613 240 P HA -0.121 nan 4.420 nan 0.000 0.226 240 P C 0.929 178.182 177.300 -0.079 0.000 1.153 240 P CA 0.783 63.811 63.100 -0.121 0.000 0.777 240 P CB 0.277 31.911 31.700 -0.110 0.000 0.794 241 L N -0.361 120.817 121.223 -0.074 0.000 2.376 241 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 241 L C 1.536 178.376 176.870 -0.051 0.000 1.133 241 L CA 1.102 55.909 54.840 -0.055 0.000 0.816 241 L CB -0.925 41.103 42.059 -0.053 0.000 0.933 241 L HN -0.128 nan 8.230 nan 0.000 0.449 242 D N 0.068 120.431 120.400 -0.061 0.000 2.363 242 D HA 0.081 4.721 4.640 -0.000 0.000 0.220 242 D C 0.615 176.890 176.300 -0.041 0.000 0.994 242 D CA 0.652 54.620 54.000 -0.053 0.000 0.890 242 D CB 0.071 40.833 40.800 -0.063 0.000 0.906 242 D HN 0.232 nan 8.370 nan 0.000 0.530 243 I N 1.366 121.912 120.570 -0.040 0.000 2.371 243 I HA 0.036 4.206 4.170 -0.000 0.000 0.290 243 I C 1.289 177.397 176.117 -0.016 0.000 1.028 243 I CA -0.385 60.900 61.300 -0.024 0.000 1.345 243 I CB 1.117 39.105 38.000 -0.020 0.000 1.407 243 I HN -0.170 nan 8.210 nan 0.000 0.501 244 N N 3.875 122.569 118.700 -0.010 0.000 2.216 244 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 244 N C 0.117 175.623 175.510 -0.006 0.000 1.017 244 N CA 0.847 53.892 53.050 -0.009 0.000 0.861 244 N CB 0.018 38.500 38.487 -0.008 0.000 0.986 244 N HN 0.549 nan 8.380 nan 0.000 0.428 245 E N 1.385 121.585 120.200 -0.001 0.000 2.220 245 E HA 0.059 4.409 4.350 -0.000 0.000 0.272 245 E C 0.781 177.382 176.600 0.001 0.000 1.099 245 E CA 0.099 56.499 56.400 0.000 0.000 0.907 245 E CB 0.718 30.421 29.700 0.004 0.000 1.022 245 E HN 0.155 nan 8.360 nan 0.000 0.428 246 K N 1.244 121.643 120.400 -0.001 0.000 2.057 246 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 246 K C 1.977 178.579 176.600 0.005 0.000 1.049 246 K CA 1.818 58.104 56.287 -0.001 0.000 0.931 246 K CB -0.149 32.350 32.500 -0.002 0.000 0.714 246 K HN 0.595 nan 8.250 nan 0.000 0.440 247 T N 0.084 114.642 114.554 0.006 0.000 2.867 247 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 247 T C 1.849 176.562 174.700 0.022 0.000 1.057 247 T CA 0.745 62.852 62.100 0.012 0.000 1.136 247 T CB -0.179 68.693 68.868 0.007 0.000 0.874 247 T HN 0.043 nan 8.240 nan 0.000 0.466 248 L N 1.166 122.402 121.223 0.022 0.000 2.072 248 L HA 0.133 4.473 4.340 -0.000 0.000 0.205 248 L C 2.801 179.692 176.870 0.035 0.000 1.079 248 L CA 1.728 56.593 54.840 0.040 0.000 0.752 248 L CB -1.078 41.009 42.059 0.046 0.000 0.906 248 L HN 0.392 nan 8.230 nan 0.000 0.436 249 Q N -0.708 119.101 119.800 0.015 0.000 2.045 249 Q HA -0.319 4.021 4.340 -0.000 0.000 0.206 249 Q C 2.152 178.154 176.000 0.003 0.000 0.991 249 Q CA 2.595 58.396 55.803 -0.002 0.000 0.851 249 Q CB -0.156 28.576 28.738 -0.010 0.000 0.911 249 Q HN 0.675 nan 8.270 nan 0.000 0.418 250 Q N -0.685 119.123 119.800 0.013 0.000 2.079 250 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 250 Q C 2.099 178.126 176.000 0.045 0.000 0.974 250 Q CA 1.196 57.012 55.803 0.022 0.000 0.840 250 Q CB -0.313 28.438 28.738 0.022 0.000 0.898 250 Q HN 0.585 nan 8.270 nan 0.000 0.430 251 G N 1.137 109.971 108.800 0.057 0.000 2.476 251 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 251 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 251 G C 1.404 176.371 174.900 0.112 0.000 1.164 251 G CA 0.918 46.072 45.100 0.091 0.000 0.768 251 G HN 0.249 nan 8.290 nan 0.000 0.560 252 I N 0.238 120.856 120.570 0.080 0.000 2.226 252 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 252 I C 3.044 179.192 176.117 0.051 0.000 1.100 252 I CA 1.264 62.599 61.300 0.059 0.000 1.374 252 I CB -0.266 37.710 38.000 -0.040 0.000 1.057 252 I HN 0.233 nan 8.210 nan 0.000 0.413 253 Q N 0.399 120.214 119.800 0.025 0.000 2.084 253 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 253 Q C 2.373 178.403 176.000 0.051 0.000 0.978 253 Q CA 1.379 57.189 55.803 0.012 0.000 0.844 253 Q CB -0.150 28.584 28.738 -0.007 0.000 0.898 253 Q HN 0.520 nan 8.270 nan 0.000 0.426 254 L N -0.045 121.234 121.223 0.092 0.000 2.141 254 L HA -0.142 4.197 4.340 -0.000 0.000 0.209 254 L C 2.381 179.406 176.870 0.257 0.000 1.094 254 L CA 0.798 55.730 54.840 0.155 0.000 0.763 254 L CB -0.464 41.694 42.059 0.164 0.000 0.908 254 L HN 0.211 nan 8.230 nan 0.000 0.437 255 A N -0.815 122.153 122.820 0.247 0.000 2.014 255 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 255 A C 2.075 179.888 177.584 0.382 0.000 1.163 255 A CA 1.051 53.291 52.037 0.338 0.000 0.652 255 A CB -0.216 19.016 19.000 0.387 0.000 0.808 255 A HN 0.469 nan 8.150 nan 0.000 0.449 256 Q N 0.132 120.072 119.800 0.233 0.000 2.319 256 Q HA 0.174 4.514 4.340 -0.000 0.000 0.202 256 Q C -0.105 175.917 176.000 0.036 0.000 0.896 256 Q CA -0.314 55.563 55.803 0.124 0.000 0.942 256 Q CB 0.325 29.058 28.738 -0.009 0.000 1.083 256 Q HN 0.497 nan 8.270 nan 0.000 0.510 257 S N 1.067 116.771 115.700 0.007 0.000 2.572 257 S HA 0.171 4.641 4.470 -0.000 0.000 0.279 257 S C 0.061 174.458 174.600 -0.338 0.000 1.341 257 S CA -0.060 57.989 58.200 -0.251 0.000 1.043 257 S CB 0.514 63.434 63.200 -0.468 0.000 0.887 257 S HN 0.236 nan 8.310 nan 0.000 0.516 258 R N 1.677 121.954 120.500 -0.373 0.000 2.204 258 R HA 0.243 4.583 4.340 -0.000 0.000 0.341 258 R C -0.346 175.767 176.300 -0.312 0.000 1.035 258 R CA -0.145 55.841 56.100 -0.190 0.000 0.887 258 R CB 0.360 30.546 30.300 -0.189 0.000 1.114 258 R HN 0.686 nan 8.270 nan 0.000 0.473 259 Y N 0.639 120.923 120.300 -0.026 0.000 2.436 259 Y HA 0.132 4.682 4.550 0.000 0.000 0.288 259 Y C 0.164 175.716 175.900 -0.580 0.000 1.112 259 Y CA 0.373 58.279 58.100 -0.323 0.000 1.220 259 Y CB 0.523 38.782 38.460 -0.334 0.000 1.073 259 Y HN 0.457 nan 8.280 nan 0.000 0.552 260 W N -0.162 121.305 121.300 0.277 0.000 3.107 260 W HA 0.549 5.209 4.660 0.000 0.000 0.331 260 W C -0.867 175.759 176.519 0.179 0.000 1.204 260 W CA -0.977 56.486 57.345 0.197 0.000 1.184 260 W CB 1.170 30.729 29.460 0.165 0.000 1.421 260 W HN -0.449 nan 8.180 nan 0.000 0.544 261 Q N 1.368 121.366 119.800 0.329 0.000 2.353 261 Q HA 0.626 4.966 4.340 -0.000 0.000 0.268 261 Q C -1.194 174.824 176.000 0.030 0.000 1.045 261 Q CA -0.456 55.367 55.803 0.033 0.000 0.811 261 Q CB 2.355 31.041 28.738 -0.087 0.000 1.305 261 Q HN 0.434 nan 8.270 nan 0.000 0.447 262 T N 2.771 117.291 114.554 -0.057 0.000 2.906 262 T HA 0.607 4.957 4.350 -0.000 0.000 0.302 262 T C 0.373 175.013 174.700 -0.100 0.000 1.002 262 T CA 0.743 62.814 62.100 -0.049 0.000 0.988 262 T CB 0.583 69.442 68.868 -0.014 0.000 0.972 262 T HN 1.022 nan 8.240 nan 0.000 0.447 263 G N 5.527 114.269 108.800 -0.096 0.000 2.591 263 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.298 263 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.298 263 G C 0.387 175.195 174.900 -0.153 0.000 1.195 263 G CA 0.737 45.778 45.100 -0.099 0.000 0.989 263 G HN 0.950 nan 8.290 nan 0.000 0.551 264 D N 0.389 120.708 120.400 -0.135 0.000 2.342 264 D HA 0.279 4.919 4.640 -0.000 0.000 0.221 264 D C 1.103 177.294 176.300 -0.182 0.000 1.101 264 D CA 0.458 54.370 54.000 -0.146 0.000 0.837 264 D CB 0.053 40.807 40.800 -0.078 0.000 0.938 264 D HN 0.599 nan 8.370 nan 0.000 0.508 265 M N 0.641 120.111 119.600 -0.218 0.000 2.508 265 M HA 0.436 4.916 4.480 -0.000 0.000 0.327 265 M C -1.757 174.404 176.300 -0.233 0.000 1.160 265 M CA -0.690 54.555 55.300 -0.092 0.000 0.980 265 M CB 1.838 34.471 32.600 0.054 0.000 1.693 265 M HN -0.190 nan 8.290 nan 0.000 0.452 266 Y N 1.683 122.092 120.300 0.182 0.000 2.409 266 Y HA 0.379 4.929 4.550 -0.000 0.000 0.343 266 Y C -0.430 175.628 175.900 0.264 0.000 0.973 266 Y CA -0.724 57.495 58.100 0.198 0.000 1.064 266 Y CB 1.707 40.249 38.460 0.136 0.000 1.207 266 Y HN 0.567 nan 8.280 nan 0.000 0.452 267 Q N 2.012 122.086 119.800 0.458 0.000 2.296 267 Q HA 0.548 4.888 4.340 -0.000 0.000 0.257 267 Q C 0.022 176.312 176.000 0.484 0.000 0.942 267 Q CA -0.200 55.875 55.803 0.454 0.000 0.939 267 Q CB 1.157 30.180 28.738 0.476 0.000 1.198 267 Q HN 0.894 nan 8.270 nan 0.000 0.429 268 G N 2.818 111.878 108.800 0.433 0.000 2.641 268 G HA2 0.460 4.420 3.960 -0.000 0.000 0.239 268 G HA3 0.460 4.420 3.960 -0.000 0.000 0.239 268 G C -0.869 174.206 174.900 0.293 0.000 1.402 268 G CA -0.821 44.561 45.100 0.470 0.000 1.046 268 G HN 0.605 nan 8.290 nan 0.000 0.565 269 L N 1.145 122.510 121.223 0.238 0.000 2.270 269 L HA 0.446 4.786 4.340 -0.000 0.000 0.286 269 L C 1.393 178.305 176.870 0.070 0.000 1.059 269 L CA 0.456 55.306 54.840 0.016 0.000 0.839 269 L CB 0.401 42.453 42.059 -0.012 0.000 1.221 269 L HN 1.037 nan 8.230 nan 0.000 0.431 270 G N 2.134 110.944 108.800 0.017 0.000 4.655 270 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 270 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 270 G C 0.017 174.960 174.900 0.071 0.000 1.403 270 G CA -0.181 44.928 45.100 0.014 0.000 0.931 270 G HN 0.523 nan 8.290 nan 0.000 0.654 271 W N 2.602 124.028 121.300 0.211 0.000 2.170 271 W HA 0.530 5.190 4.660 -0.000 0.000 0.342 271 W C 0.881 177.541 176.519 0.234 0.000 1.294 271 W CA -0.071 57.394 57.345 0.199 0.000 1.246 271 W CB 0.344 29.895 29.460 0.151 0.000 1.156 271 W HN 0.363 nan 8.180 nan 0.000 0.572 272 E N 1.769 122.310 120.200 0.568 0.000 2.207 272 E HA 0.588 4.938 4.350 -0.000 0.000 0.270 272 E C -0.780 176.121 176.600 0.502 0.000 0.927 272 E CA -1.144 55.560 56.400 0.507 0.000 0.799 272 E CB 1.625 31.611 29.700 0.478 0.000 1.172 272 E HN 0.179 nan 8.360 nan 0.000 0.404 273 M N 1.933 121.781 119.600 0.412 0.000 2.501 273 M HA 0.463 4.943 4.480 -0.000 0.000 0.293 273 M C -1.572 174.954 176.300 0.378 0.000 1.192 273 M CA -0.352 55.134 55.300 0.309 0.000 0.886 273 M CB 1.778 34.495 32.600 0.196 0.000 1.710 273 M HN 0.296 nan 8.290 nan 0.000 0.457 274 L N 0.567 121.978 121.223 0.313 0.000 2.393 274 L HA 0.563 4.903 4.340 -0.000 0.000 0.260 274 L C -0.758 176.281 176.870 0.281 0.000 1.002 274 L CA -0.738 54.292 54.840 0.317 0.000 0.818 274 L CB 1.852 44.010 42.059 0.164 0.000 1.369 274 L HN 0.546 nan 8.230 nan 0.000 0.412 275 D N 0.894 121.452 120.400 0.262 0.000 2.443 275 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 275 D C -0.893 175.544 176.300 0.229 0.000 1.136 275 D CA 0.278 54.394 54.000 0.194 0.000 0.879 275 D CB 1.059 41.944 40.800 0.141 0.000 1.195 275 D HN 0.360 nan 8.370 nan 0.000 0.443 276 W N 4.405 125.758 121.300 0.088 0.000 2.469 276 W HA 0.279 4.938 4.660 -0.000 0.000 0.320 276 W C -2.292 174.276 176.519 0.082 0.000 1.086 276 W CA -1.851 55.563 57.345 0.116 0.000 1.211 276 W CB 1.080 30.625 29.460 0.142 0.000 1.298 276 W HN 0.230 nan 8.180 nan 0.000 0.525 277 P HA 0.115 nan 4.420 nan 0.000 0.271 277 P C -0.377 176.587 177.300 -0.560 0.000 1.218 277 P CA 0.032 62.345 63.100 -1.312 0.000 0.780 277 P CB 1.385 32.535 31.700 -0.917 0.000 0.901 278 V N -0.609 119.001 119.914 -0.507 0.000 2.837 278 V HA 0.465 4.585 4.120 -0.000 0.000 0.310 278 V C 0.325 176.149 176.094 -0.451 0.000 1.059 278 V CA -1.098 61.009 62.300 -0.322 0.000 1.004 278 V CB 1.320 32.965 31.823 -0.297 0.000 1.045 278 V HN 0.553 nan 8.190 nan 0.000 0.465 279 N N 3.890 122.351 118.700 -0.398 0.000 2.401 279 N HA 0.320 5.060 4.740 -0.000 0.000 0.255 279 N C -1.435 173.704 175.510 -0.619 0.000 1.110 279 N CA -2.130 50.658 53.050 -0.437 0.000 0.949 279 N CB 1.444 39.761 38.487 -0.283 0.000 1.110 279 N HN 0.511 nan 8.380 nan 0.000 0.490 280 P HA -0.109 nan 4.420 nan 0.000 0.217 280 P C 0.474 177.394 177.300 -0.633 0.000 1.150 280 P CA 1.104 63.510 63.100 -1.156 0.000 0.832 280 P CB 0.475 31.082 31.700 -1.820 0.000 0.787 281 D N -0.411 119.719 120.400 -0.450 0.000 2.178 281 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 281 D C 2.121 178.279 176.300 -0.236 0.000 0.980 281 D CA 1.113 54.945 54.000 -0.281 0.000 0.842 281 D CB -0.324 40.353 40.800 -0.206 0.000 0.948 281 D HN 0.168 nan 8.370 nan 0.000 0.472 282 S N 0.808 116.353 115.700 -0.259 0.000 2.356 282 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 282 S C 2.264 176.761 174.600 -0.173 0.000 1.032 282 S CA 1.062 59.144 58.200 -0.196 0.000 1.005 282 S CB -0.219 62.865 63.200 -0.194 0.000 0.867 282 S HN 0.377 nan 8.310 nan 0.000 0.449 283 I N -0.745 119.676 120.570 -0.248 0.000 2.353 283 I HA -0.012 4.158 4.170 -0.000 0.000 0.248 283 I C 2.102 178.166 176.117 -0.089 0.000 1.119 283 I CA 1.178 62.384 61.300 -0.156 0.000 1.417 283 I CB -0.579 37.233 38.000 -0.314 0.000 1.078 283 I HN 0.236 nan 8.210 nan 0.000 0.421 284 I N 2.066 122.537 120.570 -0.165 0.000 2.133 284 I HA -0.230 3.940 4.170 -0.000 0.000 0.238 284 I C 2.363 178.427 176.117 -0.088 0.000 1.074 284 I CA 1.527 62.756 61.300 -0.117 0.000 1.342 284 I CB -0.715 37.203 38.000 -0.138 0.000 1.053 284 I HN 0.277 nan 8.210 nan 0.000 0.404 285 N N 1.213 119.855 118.700 -0.097 0.000 2.188 285 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 285 N C 1.920 177.395 175.510 -0.059 0.000 1.018 285 N CA 1.559 54.564 53.050 -0.074 0.000 0.858 285 N CB -0.839 37.601 38.487 -0.078 0.000 0.989 285 N HN 0.434 nan 8.380 nan 0.000 0.426 286 G N 0.467 109.234 108.800 -0.054 0.000 2.479 286 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 286 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 286 G C 1.577 176.467 174.900 -0.018 0.000 1.115 286 G CA 1.316 46.399 45.100 -0.027 0.000 0.757 286 G HN 0.522 nan 8.290 nan 0.000 0.560 287 S N -0.505 115.183 115.700 -0.021 0.000 2.528 287 S HA 0.047 4.517 4.470 -0.000 0.000 0.219 287 S C 0.731 175.286 174.600 -0.075 0.000 0.985 287 S CA -0.039 58.136 58.200 -0.041 0.000 0.914 287 S CB 0.049 63.222 63.200 -0.045 0.000 0.776 287 S HN 0.275 nan 8.310 nan 0.000 0.526 288 D N 2.252 122.613 120.400 -0.064 0.000 2.458 288 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 288 D C 0.409 176.670 176.300 -0.066 0.000 1.146 288 D CA 0.052 54.016 54.000 -0.060 0.000 0.877 288 D CB 0.526 41.298 40.800 -0.047 0.000 1.176 288 D HN 0.091 nan 8.370 nan 0.000 0.461 289 N N 3.361 122.022 118.700 -0.066 0.000 2.334 289 N HA -0.225 4.515 4.740 -0.000 0.000 0.187 289 N C 1.608 177.091 175.510 -0.044 0.000 1.016 289 N CA 0.938 53.948 53.050 -0.067 0.000 0.879 289 N CB -0.148 38.309 38.487 -0.050 0.000 0.965 289 N HN 0.659 nan 8.380 nan 0.000 0.438 290 K N 0.297 120.678 120.400 -0.032 0.000 2.211 290 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 290 K C 1.729 178.315 176.600 -0.024 0.000 1.050 290 K CA 1.026 57.301 56.287 -0.020 0.000 0.945 290 K CB -0.043 32.448 32.500 -0.016 0.000 0.732 290 K HN 0.167 nan 8.250 nan 0.000 0.451 291 I N 0.952 121.500 120.570 -0.036 0.000 2.729 291 I HA 0.019 4.189 4.170 -0.000 0.000 0.256 291 I C 2.535 178.623 176.117 -0.048 0.000 1.115 291 I CA 0.515 61.793 61.300 -0.037 0.000 1.446 291 I CB -0.118 37.859 38.000 -0.038 0.000 1.176 291 I HN 0.215 nan 8.210 nan 0.000 0.446 292 A N 0.991 123.766 122.820 -0.076 0.000 2.019 292 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 292 A C 2.074 179.566 177.584 -0.153 0.000 1.164 292 A CA 1.367 53.324 52.037 -0.134 0.000 0.644 292 A CB -0.597 18.284 19.000 -0.198 0.000 0.805 292 A HN 0.433 nan 8.150 nan 0.000 0.449 293 L N -1.038 120.131 121.223 -0.089 0.000 2.640 293 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 293 L C 1.032 177.919 176.870 0.029 0.000 1.123 293 L CA -0.132 54.697 54.840 -0.019 0.000 0.900 293 L CB -0.158 41.904 42.059 0.004 0.000 1.146 293 L HN 0.347 nan 8.230 nan 0.000 0.484 294 A N 0.732 123.557 122.820 0.008 0.000 2.316 294 A HA 0.691 5.011 4.320 -0.000 0.000 0.284 294 A C 0.468 178.057 177.584 0.008 0.000 1.115 294 A CA -0.258 51.792 52.037 0.022 0.000 0.812 294 A CB 0.541 19.542 19.000 0.001 0.000 1.064 294 A HN 0.193 nan 8.150 nan 0.000 0.489 295 A N 2.272 125.100 122.820 0.012 0.000 2.511 295 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 295 A C 0.508 177.993 177.584 -0.166 0.000 1.069 295 A CA 0.176 52.142 52.037 -0.118 0.000 0.763 295 A CB 0.045 18.907 19.000 -0.230 0.000 1.001 295 A HN 0.778 nan 8.150 nan 0.000 0.498 296 R N 2.519 122.896 120.500 -0.205 0.000 2.673 296 R HA 0.444 4.784 4.340 -0.000 0.000 0.281 296 R C -3.049 173.117 176.300 -0.223 0.000 0.991 296 R CA -1.860 54.138 56.100 -0.171 0.000 0.896 296 R CB 2.461 32.706 30.300 -0.091 0.000 1.201 296 R HN 0.544 nan 8.270 nan 0.000 0.457 297 P HA 0.088 nan 4.420 nan 0.000 0.275 297 P C -0.352 176.884 177.300 -0.106 0.000 1.227 297 P CA -0.293 62.694 63.100 -0.188 0.000 0.781 297 P CB 1.042 32.657 31.700 -0.141 0.000 0.906 298 V N -0.076 119.784 119.914 -0.090 0.000 2.628 298 V HA 0.560 4.680 4.120 -0.000 0.000 0.306 298 V C -0.154 176.043 176.094 0.171 0.000 1.045 298 V CA -1.036 61.285 62.300 0.036 0.000 0.905 298 V CB 1.895 33.680 31.823 -0.063 0.000 0.997 298 V HN 0.297 nan 8.190 nan 0.000 0.436 299 K N 2.948 123.495 120.400 0.244 0.000 2.240 299 K HA 0.731 5.051 4.320 -0.000 0.000 0.271 299 K C 0.096 176.923 176.600 0.377 0.000 1.018 299 K CA -0.297 56.140 56.287 0.250 0.000 0.874 299 K CB 1.914 34.499 32.500 0.142 0.000 1.098 299 K HN 1.047 nan 8.250 nan 0.000 0.458 300 A N 4.131 127.159 122.820 0.348 0.000 2.488 300 A HA 0.173 4.493 4.320 -0.000 0.000 0.249 300 A C 0.050 177.614 177.584 -0.033 0.000 1.083 300 A CA -0.113 51.953 52.037 0.049 0.000 0.768 300 A CB -0.252 18.756 19.000 0.013 0.000 1.017 300 A HN 0.751 nan 8.150 nan 0.000 0.496 301 I N 2.889 123.362 120.570 -0.160 0.000 2.307 301 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 301 I C -0.160 175.869 176.117 -0.147 0.000 1.054 301 I CA 0.154 61.398 61.300 -0.093 0.000 1.218 301 I CB 1.173 39.137 38.000 -0.059 0.000 1.398 301 I HN 0.536 nan 8.210 nan 0.000 0.475 302 T N 6.404 120.905 114.554 -0.088 0.000 2.893 302 T HA 0.422 4.772 4.350 -0.000 0.000 0.324 302 T C -1.790 172.876 174.700 -0.058 0.000 1.082 302 T CA -1.002 61.051 62.100 -0.078 0.000 0.983 302 T CB 0.712 69.555 68.868 -0.042 0.000 1.005 302 T HN 0.412 nan 8.240 nan 0.000 0.475 303 P HA 0.541 nan 4.420 nan 0.000 0.281 303 P C -3.014 174.199 177.300 -0.146 0.000 1.281 303 P CA -2.161 60.882 63.100 -0.095 0.000 0.811 303 P CB -0.098 31.558 31.700 -0.072 0.000 1.154 304 P HA 0.085 nan 4.420 nan 0.000 0.268 304 P C -0.376 176.753 177.300 -0.286 0.000 1.205 304 P CA 0.350 63.242 63.100 -0.348 0.000 0.771 304 P CB -0.014 31.313 31.700 -0.622 0.000 0.858 305 T N 5.470 119.858 114.554 -0.277 0.000 2.814 305 T HA 0.244 4.594 4.350 -0.000 0.000 0.297 305 T C -2.117 172.444 174.700 -0.232 0.000 0.956 305 T CA -1.024 60.943 62.100 -0.221 0.000 1.123 305 T CB -0.148 68.585 68.868 -0.225 0.000 0.902 305 T HN 0.273 nan 8.240 nan 0.000 0.528 306 P HA 0.239 nan 4.420 nan 0.000 0.272 306 P C -0.511 176.709 177.300 -0.134 0.000 1.230 306 P CA -0.566 62.449 63.100 -0.142 0.000 0.788 306 P CB 0.291 31.931 31.700 -0.100 0.000 0.949 307 A N 2.146 124.901 122.820 -0.108 0.000 2.583 307 A HA 0.039 4.359 4.320 -0.000 0.000 0.249 307 A C 0.173 177.698 177.584 -0.098 0.000 1.035 307 A CA 0.323 52.302 52.037 -0.097 0.000 0.777 307 A CB -0.903 18.053 19.000 -0.073 0.000 0.942 307 A HN 0.368 nan 8.150 nan 0.000 0.516 308 V N 6.138 125.986 119.914 -0.110 0.000 2.385 308 V HA 0.133 4.253 4.120 -0.000 0.000 0.269 308 V C 1.536 177.587 176.094 -0.071 0.000 1.043 308 V CA -0.303 61.939 62.300 -0.096 0.000 0.906 308 V CB 0.898 32.648 31.823 -0.122 0.000 0.995 308 V HN 1.056 nan 8.190 nan 0.000 0.467 309 R N 3.628 124.094 120.500 -0.056 0.000 2.096 309 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 309 R C 1.346 177.627 176.300 -0.032 0.000 1.127 309 R CA 1.322 57.391 56.100 -0.052 0.000 0.968 309 R CB -0.060 30.209 30.300 -0.051 0.000 0.861 309 R HN 0.734 nan 8.270 nan 0.000 0.440 310 A N 1.720 124.548 122.820 0.013 0.000 3.077 310 A HA 0.215 4.535 4.320 -0.000 0.000 0.255 310 A C -0.510 177.167 177.584 0.154 0.000 1.728 310 A CA 0.106 52.204 52.037 0.102 0.000 1.383 310 A CB -0.007 19.078 19.000 0.142 0.000 1.097 310 A HN 0.040 nan 8.150 nan 0.000 0.634 311 S N 0.411 116.165 115.700 0.090 0.000 2.548 311 S HA 0.468 4.938 4.470 -0.000 0.000 0.286 311 S C -0.838 173.832 174.600 0.117 0.000 1.098 311 S CA -0.589 57.679 58.200 0.115 0.000 0.930 311 S CB 1.117 64.303 63.200 -0.024 0.000 1.070 311 S HN 0.675 nan 8.310 nan 0.000 0.480 312 W N 4.246 125.576 121.300 0.050 0.000 2.387 312 W HA 0.512 5.171 4.660 -0.000 0.000 0.310 312 W C -1.693 174.687 176.519 -0.232 0.000 1.181 312 W CA -0.392 56.918 57.345 -0.059 0.000 1.333 312 W CB 0.463 29.982 29.460 0.100 0.000 1.286 312 W HN 0.334 nan 8.180 nan 0.000 0.455 313 V N 7.405 126.881 119.914 -0.731 0.000 2.459 313 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 313 V C -0.163 175.510 176.094 -0.702 0.000 1.029 313 V CA -0.463 61.376 62.300 -0.770 0.000 0.874 313 V CB 1.445 32.320 31.823 -1.580 0.000 0.985 313 V HN 0.658 nan 8.190 nan 0.000 0.438 314 H N 2.315 121.302 119.070 -0.139 0.000 2.981 314 H HA 0.893 5.449 4.556 -0.000 0.000 0.327 314 H C -1.331 174.264 175.328 0.444 0.000 1.342 314 H CA -1.237 54.864 56.048 0.088 0.000 1.123 314 H CB 2.184 32.039 29.762 0.156 0.000 1.851 314 H HN 0.455 nan 8.280 nan 0.000 0.531 315 K N 1.347 121.862 120.400 0.192 0.000 2.575 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.255 315 K C -1.314 175.417 176.600 0.219 0.000 0.953 315 K CA -0.042 56.315 56.287 0.116 0.000 0.840 315 K CB 1.982 34.528 32.500 0.077 0.000 1.303 315 K HN 0.919 nan 8.250 nan 0.000 0.438 316 T N 0.049 114.732 114.554 0.216 0.000 2.913 316 T HA 0.837 5.186 4.350 -0.000 0.000 0.287 316 T C 0.371 175.165 174.700 0.155 0.000 1.008 316 T CA -0.381 61.867 62.100 0.246 0.000 1.067 316 T CB 1.529 70.443 68.868 0.076 0.000 0.996 316 T HN 0.648 nan 8.240 nan 0.000 0.513 317 G N -0.487 108.406 108.800 0.154 0.000 2.759 317 G HA2 0.724 4.684 3.960 -0.000 0.000 0.297 317 G HA3 0.724 4.684 3.960 -0.000 0.000 0.297 317 G C -1.495 173.489 174.900 0.139 0.000 1.434 317 G CA -0.569 44.619 45.100 0.147 0.000 0.980 317 G HN 1.108 nan 8.290 nan 0.000 0.531 318 A N 0.597 123.502 122.820 0.141 0.000 2.572 318 A HA 0.989 5.309 4.320 -0.000 0.000 0.295 318 A C 0.081 177.773 177.584 0.180 0.000 1.072 318 A CA 0.078 52.212 52.037 0.161 0.000 0.691 318 A CB 1.783 20.849 19.000 0.109 0.000 1.291 318 A HN 1.846 nan 8.150 nan 0.000 0.404 319 T N -2.192 112.505 114.554 0.239 0.000 2.724 319 T HA 0.628 4.978 4.350 -0.000 0.000 0.274 319 T C 1.324 176.162 174.700 0.230 0.000 0.984 319 T CA 0.183 62.421 62.100 0.229 0.000 1.024 319 T CB 0.912 69.941 68.868 0.269 0.000 1.320 319 T HN 1.469 nan 8.240 nan 0.000 0.555 320 G N -0.339 108.585 108.800 0.207 0.000 2.442 320 G HA2 0.157 4.117 3.960 -0.000 0.000 0.219 320 G HA3 0.157 4.117 3.960 -0.000 0.000 0.219 320 G C 1.178 176.182 174.900 0.173 0.000 1.141 320 G CA 0.629 45.828 45.100 0.164 0.000 0.763 320 G HN 1.149 nan 8.290 nan 0.000 0.554 321 G N -1.378 107.566 108.800 0.241 0.000 3.324 321 G HA2 0.478 4.438 3.960 -0.000 0.000 0.251 321 G HA3 0.478 4.438 3.960 -0.000 0.000 0.251 321 G C -0.403 174.491 174.900 -0.009 0.000 1.072 321 G CA -0.447 44.715 45.100 0.105 0.000 0.787 321 G HN 0.197 nan 8.290 nan 0.000 0.537 322 F N -0.568 119.515 119.950 0.223 0.000 2.599 322 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 322 F C 0.284 176.218 175.800 0.224 0.000 1.076 322 F CA -1.027 57.139 58.000 0.276 0.000 0.937 322 F CB 2.486 41.669 39.000 0.304 0.000 1.282 322 F HN 0.022 nan 8.300 nan 0.000 0.460 323 G N 0.768 109.830 108.800 0.437 0.000 2.707 323 G HA2 0.595 4.555 3.960 -0.000 0.000 0.299 323 G HA3 0.595 4.555 3.960 -0.000 0.000 0.299 323 G C -1.669 173.382 174.900 0.252 0.000 1.442 323 G CA -0.613 44.628 45.100 0.236 0.000 1.009 323 G HN 0.561 nan 8.290 nan 0.000 0.515 324 S N 0.048 115.865 115.700 0.195 0.000 2.599 324 S HA 0.798 5.268 4.470 -0.000 0.000 0.287 324 S C -1.753 173.020 174.600 0.288 0.000 1.105 324 S CA -0.587 57.750 58.200 0.229 0.000 0.899 324 S CB 2.013 65.343 63.200 0.217 0.000 1.100 324 S HN 0.684 nan 8.310 nan 0.000 0.482 325 Y N 0.656 121.046 120.300 0.151 0.000 2.519 325 Y HA 0.630 5.180 4.550 -0.000 0.000 0.336 325 Y C -1.873 174.168 175.900 0.235 0.000 1.089 325 Y CA -0.760 57.447 58.100 0.179 0.000 1.025 325 Y CB 1.077 39.642 38.460 0.175 0.000 1.318 325 Y HN 0.474 nan 8.280 nan 0.000 0.452 326 V N 4.140 123.870 119.914 -0.307 0.000 2.686 326 V HA 0.967 5.087 4.120 -0.000 0.000 0.306 326 V C -0.892 174.931 176.094 -0.451 0.000 1.065 326 V CA -0.319 61.895 62.300 -0.144 0.000 0.894 326 V CB 1.458 33.461 31.823 0.299 0.000 1.004 326 V HN 1.015 nan 8.190 nan 0.000 0.424 327 A N 4.575 127.167 122.820 -0.380 0.000 2.549 327 A HA 1.050 5.370 4.320 -0.000 0.000 0.297 327 A C -1.290 176.018 177.584 -0.459 0.000 1.061 327 A CA -0.526 51.154 52.037 -0.596 0.000 0.690 327 A CB 1.877 20.409 19.000 -0.779 0.000 1.287 327 A HN 1.514 nan 8.150 nan 0.000 0.402 328 F N -0.821 118.677 119.950 -0.753 0.000 2.693 328 F HA 0.825 5.351 4.527 -0.000 0.000 0.309 328 F C -1.513 173.932 175.800 -0.591 0.000 1.129 328 F CA -1.221 56.416 58.000 -0.605 0.000 0.948 328 F CB 1.239 39.949 39.000 -0.483 0.000 1.315 328 F HN 0.312 nan 8.300 nan 0.000 0.447 329 I N 2.407 122.807 120.570 -0.284 0.000 2.466 329 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 329 I C -2.183 173.824 176.117 -0.183 0.000 1.033 329 I CA -1.829 59.266 61.300 -0.342 0.000 1.123 329 I CB 1.924 39.576 38.000 -0.579 0.000 1.237 329 I HN 0.381 nan 8.210 nan 0.000 0.460 330 P HA -0.221 nan 4.420 nan 0.000 0.216 330 P C 1.277 178.507 177.300 -0.116 0.000 1.153 330 P CA 1.384 64.442 63.100 -0.070 0.000 0.858 330 P CB 0.166 31.836 31.700 -0.049 0.000 0.789 331 E N -0.209 119.916 120.200 -0.124 0.000 2.268 331 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 331 E C 1.311 177.831 176.600 -0.133 0.000 0.995 331 E CA 0.989 57.326 56.400 -0.105 0.000 0.836 331 E CB -0.578 29.086 29.700 -0.060 0.000 0.763 331 E HN 0.124 nan 8.360 nan 0.000 0.491 332 K N 0.665 120.947 120.400 -0.197 0.000 2.374 332 K HA 0.053 4.373 4.320 -0.000 0.000 0.196 332 K C -0.266 176.220 176.600 -0.190 0.000 1.023 332 K CA 0.457 56.622 56.287 -0.202 0.000 1.103 332 K CB 0.331 32.662 32.500 -0.281 0.000 0.848 332 K HN 0.233 nan 8.250 nan 0.000 0.528 333 E N 0.728 120.825 120.200 -0.172 0.000 2.360 333 E HA -0.225 4.125 4.350 -0.000 0.000 0.238 333 E C -0.667 175.838 176.600 -0.159 0.000 1.186 333 E CA 0.212 56.513 56.400 -0.165 0.000 0.719 333 E CB -1.579 28.021 29.700 -0.167 0.000 1.236 333 E HN 0.052 nan 8.360 nan 0.000 0.386 334 L N -0.296 120.837 121.223 -0.150 0.000 2.408 334 L HA 0.835 5.175 4.340 -0.000 0.000 0.268 334 L C 0.127 176.937 176.870 -0.099 0.000 0.986 334 L CA 0.258 55.033 54.840 -0.109 0.000 0.820 334 L CB 2.132 44.108 42.059 -0.139 0.000 1.303 334 L HN 0.110 nan 8.230 nan 0.000 0.411 335 G N 3.908 112.680 108.800 -0.047 0.000 2.576 335 G HA2 0.596 4.556 3.960 -0.000 0.000 0.290 335 G HA3 0.596 4.556 3.960 -0.000 0.000 0.290 335 G C -2.262 172.641 174.900 0.006 0.000 1.442 335 G CA -0.437 44.635 45.100 -0.045 0.000 0.792 335 G HN 0.790 nan 8.290 nan 0.000 0.491 336 I N -0.256 120.320 120.570 0.011 0.000 2.827 336 I HA 0.678 4.848 4.170 -0.000 0.000 0.298 336 I C -1.307 174.871 176.117 0.102 0.000 1.235 336 I CA -1.005 60.344 61.300 0.081 0.000 1.021 336 I CB 2.332 40.400 38.000 0.113 0.000 1.259 336 I HN 0.395 nan 8.210 nan 0.000 0.427 337 V N 7.187 127.197 119.914 0.161 0.000 2.588 337 V HA 0.528 4.648 4.120 -0.000 0.000 0.304 337 V C -0.494 175.728 176.094 0.213 0.000 1.042 337 V CA -0.461 61.950 62.300 0.186 0.000 0.877 337 V CB 1.832 33.780 31.823 0.209 0.000 0.996 337 V HN 0.644 nan 8.190 nan 0.000 0.425 338 M N 6.109 125.844 119.600 0.225 0.000 2.134 338 M HA 0.606 5.086 4.480 -0.000 0.000 0.310 338 M C -1.309 175.084 176.300 0.154 0.000 0.966 338 M CA -0.131 55.302 55.300 0.221 0.000 0.922 338 M CB 1.760 34.539 32.600 0.297 0.000 1.537 338 M HN 0.388 nan 8.290 nan 0.000 0.424 339 L N 2.924 124.140 121.223 -0.013 0.000 2.333 339 L HA 0.983 5.323 4.340 -0.000 0.000 0.280 339 L C -0.398 176.330 176.870 -0.238 0.000 1.004 339 L CA -0.720 53.965 54.840 -0.259 0.000 0.820 339 L CB 1.779 43.309 42.059 -0.881 0.000 1.247 339 L HN 0.785 nan 8.230 nan 0.000 0.416 340 A N 1.921 124.848 122.820 0.178 0.000 2.435 340 A HA 0.589 4.909 4.320 -0.000 0.000 0.304 340 A C -0.363 177.572 177.584 0.585 0.000 1.064 340 A CA -0.749 51.528 52.037 0.400 0.000 0.727 340 A CB 1.269 20.497 19.000 0.380 0.000 1.284 340 A HN 0.757 nan 8.150 nan 0.000 0.415 341 N N 1.201 120.180 118.700 0.466 0.000 2.575 341 N HA 0.157 4.897 4.740 -0.000 0.000 0.275 341 N C -0.429 175.078 175.510 -0.005 0.000 1.202 341 N CA -0.087 52.935 53.050 -0.047 0.000 0.945 341 N CB 0.219 38.641 38.487 -0.107 0.000 1.247 341 N HN 0.603 nan 8.380 nan 0.000 0.510 342 K N 0.100 120.592 120.400 0.153 0.000 2.523 342 K HA 0.245 4.565 4.320 -0.000 0.000 0.257 342 K C -1.518 175.261 176.600 0.299 0.000 0.932 342 K CA -0.730 55.666 56.287 0.182 0.000 0.812 342 K CB 1.302 33.904 32.500 0.169 0.000 1.326 342 K HN -0.046 nan 8.250 nan 0.000 0.433 343 N N 3.858 122.698 118.700 0.233 0.000 2.415 343 N HA 0.103 4.843 4.740 -0.000 0.000 0.250 343 N C -1.449 174.187 175.510 0.210 0.000 1.127 343 N CA 0.024 53.196 53.050 0.203 0.000 0.945 343 N CB -0.110 38.469 38.487 0.153 0.000 1.196 343 N HN 0.475 nan 8.380 nan 0.000 0.499 344 Y N 1.508 121.854 120.300 0.077 0.000 2.567 344 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 344 Y C -2.550 173.371 175.900 0.036 0.000 1.106 344 Y CA -3.076 55.052 58.100 0.047 0.000 1.157 344 Y CB 0.083 38.563 38.460 0.035 0.000 1.277 344 Y HN 0.284 nan 8.280 nan 0.000 0.490 345 P HA 0.057 nan 4.420 nan 0.000 0.265 345 P C 0.028 177.221 177.300 -0.178 0.000 1.193 345 P CA 0.214 63.283 63.100 -0.051 0.000 0.765 345 P CB 0.731 32.446 31.700 0.026 0.000 0.823 346 N N 4.603 123.195 118.700 -0.181 0.000 2.060 346 N HA -0.166 4.574 4.740 -0.000 0.000 0.195 346 N C -0.897 174.508 175.510 -0.174 0.000 1.028 346 N CA 2.002 54.928 53.050 -0.207 0.000 0.861 346 N CB -1.887 36.509 38.487 -0.151 0.000 1.029 346 N HN 0.463 nan 8.380 nan 0.000 0.428 347 P HA 0.023 nan 4.420 nan 0.000 0.221 347 P C 1.020 178.299 177.300 -0.035 0.000 1.150 347 P CA 1.204 64.259 63.100 -0.074 0.000 0.800 347 P CB -0.062 31.609 31.700 -0.049 0.000 0.787 348 A N 0.363 123.191 122.820 0.014 0.000 1.933 348 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 348 A C 2.189 179.853 177.584 0.133 0.000 1.175 348 A CA 1.382 53.480 52.037 0.101 0.000 0.628 348 A CB -0.939 18.186 19.000 0.208 0.000 0.814 348 A HN 0.129 nan 8.150 nan 0.000 0.444 349 R N -0.631 119.895 120.500 0.044 0.000 2.066 349 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 349 R C 1.947 178.194 176.300 -0.088 0.000 1.131 349 R CA 1.448 57.559 56.100 0.017 0.000 0.955 349 R CB -0.723 29.460 30.300 -0.196 0.000 0.851 349 R HN 0.351 nan 8.270 nan 0.000 0.432 350 V N 1.783 121.541 119.914 -0.260 0.000 2.427 350 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 350 V C 2.074 178.252 176.094 0.141 0.000 1.051 350 V CA 1.884 64.087 62.300 -0.162 0.000 1.048 350 V CB -0.528 31.199 31.823 -0.160 0.000 0.666 350 V HN 0.295 nan 8.190 nan 0.000 0.456 351 D N 0.531 120.986 120.400 0.092 0.000 2.104 351 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 351 D C 2.204 178.646 176.300 0.236 0.000 0.994 351 D CA 1.844 55.936 54.000 0.153 0.000 0.830 351 D CB -0.020 40.830 40.800 0.084 0.000 0.959 351 D HN 0.377 nan 8.370 nan 0.000 0.452 352 A N 0.861 123.793 122.820 0.187 0.000 1.877 352 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 352 A C 2.424 180.156 177.584 0.246 0.000 1.186 352 A CA 2.621 54.764 52.037 0.177 0.000 0.620 352 A CB -0.942 18.139 19.000 0.135 0.000 0.822 352 A HN 0.315 nan 8.150 nan 0.000 0.443 353 A N -1.031 122.006 122.820 0.361 0.000 1.877 353 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 353 A C 2.134 180.057 177.584 0.564 0.000 1.186 353 A CA 1.482 53.818 52.037 0.499 0.000 0.620 353 A CB -1.009 18.481 19.000 0.817 0.000 0.822 353 A HN 0.901 nan 8.150 nan 0.000 0.443 354 W N 0.767 122.312 121.300 0.409 0.000 2.335 354 W HA -0.211 4.448 4.660 -0.000 0.000 0.311 354 W C 1.943 178.596 176.519 0.224 0.000 1.213 354 W CA 2.054 59.578 57.345 0.298 0.000 1.274 354 W CB -0.388 29.101 29.460 0.050 0.000 1.148 354 W HN 0.440 nan 8.180 nan 0.000 0.498 355 Q N 0.572 120.424 119.800 0.087 0.000 2.112 355 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 355 Q C 2.278 178.212 176.000 -0.109 0.000 0.987 355 Q CA 2.326 58.089 55.803 -0.067 0.000 0.858 355 Q CB -0.703 28.076 28.738 0.068 0.000 0.905 355 Q HN 0.490 nan 8.270 nan 0.000 0.420 356 I N 0.329 120.897 120.570 -0.004 0.000 2.193 356 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 356 I C 2.339 178.442 176.117 -0.023 0.000 1.084 356 I CA 0.817 62.112 61.300 -0.009 0.000 1.365 356 I CB -0.265 37.754 38.000 0.031 0.000 1.064 356 I HN 0.115 nan 8.210 nan 0.000 0.410 357 L N 0.409 121.653 121.223 0.035 0.000 2.093 357 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 357 L C 2.266 179.099 176.870 -0.062 0.000 1.085 357 L CA 1.319 56.179 54.840 0.034 0.000 0.755 357 L CB -0.823 41.322 42.059 0.144 0.000 0.904 357 L HN 0.345 nan 8.230 nan 0.000 0.435 358 N N 0.574 119.099 118.700 -0.291 0.000 2.188 358 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 358 N C 1.793 177.189 175.510 -0.189 0.000 1.018 358 N CA 1.387 54.181 53.050 -0.428 0.000 0.858 358 N CB 0.021 37.790 38.487 -1.197 0.000 0.989 358 N HN 0.261 nan 8.380 nan 0.000 0.426 359 A N 0.059 122.782 122.820 -0.162 0.000 1.933 359 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 359 A C 2.072 179.641 177.584 -0.026 0.000 1.175 359 A CA 0.949 52.940 52.037 -0.078 0.000 0.628 359 A CB -0.485 18.471 19.000 -0.074 0.000 0.814 359 A HN 0.364 nan 8.150 nan 0.000 0.444 360 L N -0.692 120.529 121.223 -0.005 0.000 2.529 360 L HA 0.047 4.387 4.340 -0.000 0.000 0.223 360 L C 1.677 178.633 176.870 0.143 0.000 1.113 360 L CA -0.143 54.743 54.840 0.076 0.000 0.861 360 L CB -0.162 41.953 42.059 0.093 0.000 1.012 360 L HN 0.539 nan 8.230 nan 0.000 0.461 361 Q N 0.000 119.844 119.800 0.074 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.843 55.803 0.067 0.000 1.022 361 Q CB 0.000 28.795 28.738 0.096 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481