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 1iem_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 GALDAEAYGV 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 0.000 177.573 177.584 -0.019 0.000 1.274 4 A CA 0.000 52.165 52.037 0.214 0.000 0.836 4 A CB 0.000 19.144 19.000 0.240 0.000 0.831 5 P HA -0.120 nan 4.420 nan 0.000 0.255 5 P C 1.271 178.506 177.300 -0.109 0.000 1.151 5 P CA 0.455 63.479 63.100 -0.128 0.000 0.767 5 P CB 0.693 32.255 31.700 -0.230 0.000 0.736 6 Q N 4.302 124.074 119.800 -0.046 0.000 2.290 6 Q HA -0.343 3.997 4.340 -0.000 0.000 0.211 6 Q C 1.682 177.652 176.000 -0.049 0.000 0.991 6 Q CA 2.142 57.930 55.803 -0.025 0.000 0.893 6 Q CB -0.148 28.581 28.738 -0.015 0.000 0.913 6 Q HN 0.656 nan 8.270 nan 0.000 0.428 7 Q N -0.069 119.674 119.800 -0.095 0.000 2.061 7 Q HA -0.157 4.182 4.340 -0.000 0.000 0.204 7 Q C 2.256 178.165 176.000 -0.151 0.000 0.984 7 Q CA 1.689 57.418 55.803 -0.123 0.000 0.846 7 Q CB -0.132 28.506 28.738 -0.168 0.000 0.902 7 Q HN 0.582 nan 8.270 nan 0.000 0.421 8 I N 0.818 121.257 120.570 -0.218 0.000 2.163 8 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 8 I C 1.869 177.975 176.117 -0.019 0.000 1.081 8 I CA 1.308 62.492 61.300 -0.193 0.000 1.353 8 I CB -0.432 37.371 38.000 -0.329 0.000 1.054 8 I HN 0.282 nan 8.210 nan 0.000 0.407 9 N N 0.918 119.679 118.700 0.102 0.000 2.094 9 N HA -0.261 4.479 4.740 -0.000 0.000 0.191 9 N C 1.438 177.006 175.510 0.097 0.000 1.023 9 N CA 1.798 54.984 53.050 0.227 0.000 0.857 9 N CB -0.383 38.242 38.487 0.229 0.000 1.013 9 N HN 0.375 nan 8.380 nan 0.000 0.426 10 D N -0.004 120.418 120.400 0.037 0.000 2.087 10 D HA -0.141 4.499 4.640 -0.000 0.000 0.192 10 D C 1.790 178.108 176.300 0.030 0.000 0.993 10 D CA 0.904 54.923 54.000 0.032 0.000 0.828 10 D CB -0.241 40.557 40.800 -0.003 0.000 0.968 10 D HN 0.195 nan 8.370 nan 0.000 0.448 11 I N -0.290 120.265 120.570 -0.026 0.000 2.252 11 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 11 I C 2.151 178.229 176.117 -0.065 0.000 1.102 11 I CA 0.800 62.075 61.300 -0.042 0.000 1.385 11 I CB -0.209 37.752 38.000 -0.065 0.000 1.064 11 I HN 0.018 nan 8.210 nan 0.000 0.414 12 V N 0.355 120.194 119.914 -0.125 0.000 2.295 12 V HA -0.352 3.768 4.120 -0.000 0.000 0.246 12 V C 2.500 178.505 176.094 -0.148 0.000 1.049 12 V CA 2.408 64.573 62.300 -0.226 0.000 1.024 12 V CB -1.140 30.291 31.823 -0.654 0.000 0.648 12 V HN 0.578 nan 8.190 nan 0.000 0.447 13 H N 0.810 119.805 119.070 -0.124 0.000 2.265 13 H HA -0.163 4.393 4.556 -0.000 0.000 0.295 13 H C 2.450 177.726 175.328 -0.086 0.000 1.084 13 H CA 2.211 58.248 56.048 -0.018 0.000 1.261 13 H CB -0.126 29.677 29.762 0.069 0.000 1.360 13 H HN 0.230 nan 8.280 nan 0.000 0.487 14 R N -0.841 119.648 120.500 -0.018 0.000 2.241 14 R HA -0.064 4.276 4.340 -0.000 0.000 0.224 14 R C 1.713 177.935 176.300 -0.131 0.000 1.101 14 R CA 1.491 57.546 56.100 -0.075 0.000 0.995 14 R CB 0.098 30.404 30.300 0.011 0.000 0.870 14 R HN 0.424 nan 8.270 nan 0.000 0.463 15 T N 0.397 114.866 114.554 -0.142 0.000 2.988 15 T HA 0.091 4.441 4.350 -0.000 0.000 0.240 15 T C 1.735 176.316 174.700 -0.199 0.000 1.014 15 T CA 0.309 62.336 62.100 -0.122 0.000 1.155 15 T CB 0.180 69.012 68.868 -0.060 0.000 0.872 15 T HN -0.016 nan 8.240 nan 0.000 0.440 16 I N 2.960 123.346 120.570 -0.308 0.000 2.353 16 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 16 I C 2.930 178.667 176.117 -0.634 0.000 1.119 16 I CA 1.552 62.572 61.300 -0.467 0.000 1.417 16 I CB -2.006 35.590 38.000 -0.673 0.000 1.078 16 I HN 0.415 nan 8.210 nan 0.000 0.421 17 T N -0.296 113.828 114.554 -0.716 0.000 2.788 17 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 17 T C -0.281 174.186 174.700 -0.389 0.000 1.044 17 T CA 0.919 62.628 62.100 -0.652 0.000 1.139 17 T CB -1.801 66.666 68.868 -0.667 0.000 0.867 17 T HN 0.165 nan 8.240 nan 0.000 0.454 18 P HA 0.087 nan 4.420 nan 0.000 0.217 18 P C 1.765 178.958 177.300 -0.179 0.000 1.151 18 P CA 0.290 63.277 63.100 -0.190 0.000 0.828 18 P CB -0.224 31.393 31.700 -0.138 0.000 0.788 19 L N -0.597 120.505 121.223 -0.201 0.000 2.042 19 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 19 L C 2.109 178.833 176.870 -0.243 0.000 1.076 19 L CA 1.836 56.568 54.840 -0.180 0.000 0.749 19 L CB -1.161 40.804 42.059 -0.158 0.000 0.893 19 L HN -0.124 nan 8.230 nan 0.000 0.432 20 I N -0.586 119.802 120.570 -0.302 0.000 2.286 20 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 20 I C 2.583 178.579 176.117 -0.203 0.000 1.115 20 I CA 1.518 62.648 61.300 -0.283 0.000 1.392 20 I CB -0.364 37.440 38.000 -0.326 0.000 1.065 20 I HN 0.466 nan 8.210 nan 0.000 0.418 21 E N 0.812 120.902 120.200 -0.184 0.000 2.072 21 E HA -0.242 4.108 4.350 -0.000 0.000 0.190 21 E C 2.119 178.660 176.600 -0.099 0.000 0.982 21 E CA 1.237 57.562 56.400 -0.126 0.000 0.803 21 E CB 0.086 29.716 29.700 -0.117 0.000 0.755 21 E HN 0.521 nan 8.360 nan 0.000 0.453 22 Q N -0.290 119.449 119.800 -0.100 0.000 2.167 22 Q HA -0.102 4.237 4.340 -0.000 0.000 0.202 22 Q C 1.886 177.851 176.000 -0.058 0.000 0.970 22 Q CA 1.171 56.934 55.803 -0.067 0.000 0.855 22 Q CB 0.192 28.898 28.738 -0.054 0.000 0.911 22 Q HN 0.175 nan 8.270 nan 0.000 0.438 23 Q N 0.041 119.783 119.800 -0.097 0.000 2.319 23 Q HA 0.088 4.428 4.340 -0.000 0.000 0.202 23 Q C -0.416 175.534 176.000 -0.084 0.000 0.896 23 Q CA 0.154 55.905 55.803 -0.088 0.000 0.942 23 Q CB 0.675 29.290 28.738 -0.204 0.000 1.083 23 Q HN 0.267 nan 8.270 nan 0.000 0.510 24 K N 0.988 121.334 120.400 -0.090 0.000 3.257 24 K HA -0.174 4.146 4.320 -0.000 0.000 0.270 24 K C -0.564 175.993 176.600 -0.071 0.000 0.984 24 K CA 0.260 56.505 56.287 -0.069 0.000 0.739 24 K CB -1.883 30.593 32.500 -0.040 0.000 1.351 24 K HN 0.270 nan 8.250 nan 0.000 0.463 25 I N 0.868 121.372 120.570 -0.110 0.000 2.363 25 I HA 0.020 4.190 4.170 -0.000 0.000 0.292 25 I C -0.994 175.108 176.117 -0.025 0.000 1.075 25 I CA -2.151 59.100 61.300 -0.082 0.000 1.333 25 I CB 0.751 38.645 38.000 -0.178 0.000 1.415 25 I HN 0.028 nan 8.210 nan 0.000 0.502 26 P HA -0.105 nan 4.420 nan 0.000 0.214 26 P C 0.500 177.852 177.300 0.086 0.000 1.163 26 P CA 0.752 63.837 63.100 -0.026 0.000 0.889 26 P CB 0.216 31.799 31.700 -0.196 0.000 0.790 27 G N -1.669 107.244 108.800 0.188 0.000 2.563 27 G HA2 0.707 4.667 3.960 -0.000 0.000 0.302 27 G HA3 0.707 4.667 3.960 -0.000 0.000 0.302 27 G C -1.719 173.442 174.900 0.434 0.000 1.301 27 G CA -0.385 44.897 45.100 0.303 0.000 0.965 27 G HN 0.069 nan 8.290 nan 0.000 0.480 28 M N 0.885 120.782 119.600 0.495 0.000 2.471 28 M HA 0.683 5.163 4.480 -0.000 0.000 0.284 28 M C -1.619 174.987 176.300 0.511 0.000 1.203 28 M CA -0.576 55.022 55.300 0.496 0.000 0.915 28 M CB 2.295 35.127 32.600 0.388 0.000 1.734 28 M HN 0.991 nan 8.290 nan 0.000 0.485 29 A N 2.975 125.973 122.820 0.296 0.000 2.449 29 A HA 0.884 5.204 4.320 -0.000 0.000 0.302 29 A C -1.834 175.908 177.584 0.264 0.000 1.048 29 A CA -0.607 51.575 52.037 0.241 0.000 0.708 29 A CB 1.890 20.970 19.000 0.133 0.000 1.274 29 A HN 0.628 nan 8.150 nan 0.000 0.410 30 V N 0.617 120.757 119.914 0.378 0.000 2.841 30 V HA 0.814 4.934 4.120 -0.000 0.000 0.310 30 V C -0.029 176.325 176.094 0.434 0.000 1.090 30 V CA -0.216 62.333 62.300 0.415 0.000 0.930 30 V CB 1.926 34.062 31.823 0.522 0.000 1.014 30 V HN 1.526 nan 8.190 nan 0.000 0.425 31 A N 3.694 126.702 122.820 0.315 0.000 2.343 31 A HA 0.860 5.180 4.320 -0.000 0.000 0.308 31 A C -1.114 176.565 177.584 0.158 0.000 1.092 31 A CA -0.534 51.612 52.037 0.182 0.000 0.751 31 A CB 1.687 20.767 19.000 0.134 0.000 1.203 31 A HN 0.683 nan 8.150 nan 0.000 0.452 32 V N 3.761 123.782 119.914 0.179 0.000 2.370 32 V HA 0.308 4.428 4.120 -0.000 0.000 0.283 32 V C -0.689 175.511 176.094 0.178 0.000 1.023 32 V CA -0.293 62.120 62.300 0.187 0.000 0.857 32 V CB 1.191 33.154 31.823 0.234 0.000 0.985 32 V HN 0.724 nan 8.190 nan 0.000 0.443 33 I N 6.122 126.756 120.570 0.108 0.000 2.291 33 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 33 I C -0.567 175.655 176.117 0.174 0.000 1.064 33 I CA -0.252 61.102 61.300 0.091 0.000 1.269 33 I CB 0.395 38.378 38.000 -0.029 0.000 1.418 33 I HN 0.564 nan 8.210 nan 0.000 0.485 34 Y N 5.859 126.238 120.300 0.132 0.000 2.334 34 Y HA 0.370 4.920 4.550 0.000 0.000 0.336 34 Y C 0.386 176.330 175.900 0.073 0.000 0.960 34 Y CA -0.957 57.181 58.100 0.062 0.000 1.164 34 Y CB 0.658 39.107 38.460 -0.019 0.000 1.155 34 Y HN 0.661 nan 8.280 nan 0.000 0.478 35 Q N 4.752 124.329 119.800 -0.371 0.000 2.460 35 Q HA -0.243 4.097 4.340 -0.000 0.000 0.311 35 Q C 1.094 177.000 176.000 -0.156 0.000 1.396 35 Q CA 1.051 56.646 55.803 -0.348 0.000 0.838 35 Q CB -1.449 26.978 28.738 -0.517 0.000 1.140 35 Q HN 1.346 nan 8.270 nan 0.000 0.415 36 G N -2.630 106.101 108.800 -0.114 0.000 2.257 36 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.267 36 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.267 36 G C 0.186 175.047 174.900 -0.066 0.000 0.984 36 G CA 1.003 46.047 45.100 -0.093 0.000 0.626 36 G HN 0.844 nan 8.290 nan 0.000 0.540 37 K N 1.450 121.839 120.400 -0.018 0.000 2.156 37 K HA 0.871 5.191 4.320 -0.000 0.000 0.254 37 K C -2.480 174.039 176.600 -0.135 0.000 0.950 37 K CA -1.380 54.861 56.287 -0.076 0.000 0.849 37 K CB 1.798 34.251 32.500 -0.078 0.000 1.100 37 K HN 0.276 nan 8.250 nan 0.000 0.434 38 P HA 0.436 nan 4.420 nan 0.000 0.282 38 P C -1.369 175.358 177.300 -0.955 0.000 1.249 38 P CA -0.263 62.533 63.100 -0.506 0.000 0.806 38 P CB 0.449 31.875 31.700 -0.456 0.000 0.984 39 Y N 0.795 120.767 120.300 -0.547 0.000 2.361 39 Y HA 0.394 4.943 4.550 -0.000 0.000 0.328 39 Y C -0.090 175.426 175.900 -0.640 0.000 1.044 39 Y CA -0.488 57.342 58.100 -0.450 0.000 1.085 39 Y CB 1.629 40.016 38.460 -0.122 0.000 1.194 39 Y HN 0.291 nan 8.280 nan 0.000 0.438 40 Y N 2.178 122.284 120.300 -0.322 0.000 2.534 40 Y HA 0.782 5.332 4.550 -0.000 0.000 0.329 40 Y C -0.844 174.509 175.900 -0.911 0.000 1.154 40 Y CA -1.440 56.455 58.100 -0.341 0.000 1.192 40 Y CB 1.603 39.947 38.460 -0.193 0.000 1.275 40 Y HN 0.378 nan 8.280 nan 0.000 0.491 41 F N -0.561 119.394 119.950 0.008 0.000 2.615 41 F HA 0.526 5.053 4.527 -0.000 0.000 0.312 41 F C -0.644 174.792 175.800 -0.607 0.000 1.119 41 F CA -0.972 56.766 58.000 -0.436 0.000 0.979 41 F CB 2.337 40.992 39.000 -0.575 0.000 1.266 41 F HN 0.401 nan 8.300 nan 0.000 0.444 42 T N -1.136 113.014 114.554 -0.672 0.000 2.912 42 T HA 0.709 5.059 4.350 -0.000 0.000 0.299 42 T C -1.687 172.703 174.700 -0.516 0.000 1.052 42 T CA -0.654 61.225 62.100 -0.369 0.000 0.996 42 T CB 1.808 70.611 68.868 -0.108 0.000 1.070 42 T HN 0.570 nan 8.240 nan 0.000 0.465 43 W N 0.729 122.118 121.300 0.148 0.000 3.127 43 W HA 0.553 5.213 4.660 -0.000 0.000 0.330 43 W C 0.748 177.285 176.519 0.030 0.000 1.187 43 W CA -0.058 57.330 57.345 0.072 0.000 1.198 43 W CB 1.616 31.112 29.460 0.061 0.000 1.408 43 W HN 1.419 nan 8.180 nan 0.000 0.529 44 G N 1.233 110.109 108.800 0.126 0.000 2.645 44 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.239 44 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.239 44 G C -1.560 173.252 174.900 -0.146 0.000 1.331 44 G CA -0.545 44.502 45.100 -0.088 0.000 0.890 44 G HN 0.500 nan 8.290 nan 0.000 0.572 45 Y N -0.018 120.345 120.300 0.107 0.000 2.387 45 Y HA 0.549 5.099 4.550 -0.000 0.000 0.336 45 Y C 1.411 177.389 175.900 0.131 0.000 1.067 45 Y CA -0.137 58.020 58.100 0.094 0.000 1.114 45 Y CB 1.954 40.439 38.460 0.041 0.000 1.208 45 Y HN 0.824 nan 8.280 nan 0.000 0.458 46 A N 0.884 123.892 122.820 0.313 0.000 2.132 46 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 46 A C 0.118 177.903 177.584 0.336 0.000 1.154 46 A CA 0.949 53.127 52.037 0.234 0.000 0.753 46 A CB 0.095 19.168 19.000 0.121 0.000 0.826 46 A HN 0.675 nan 8.150 nan 0.000 0.469 47 D N -0.754 119.848 120.400 0.336 0.000 2.375 47 D HA 0.313 4.953 4.640 -0.000 0.000 0.241 47 D C 0.597 176.978 176.300 0.136 0.000 1.361 47 D CA -0.433 53.779 54.000 0.352 0.000 0.995 47 D CB 0.525 41.511 40.800 0.311 0.000 1.312 47 D HN 0.111 nan 8.370 nan 0.000 0.576 48 I N 2.082 122.704 120.570 0.086 0.000 2.179 48 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 48 I C 2.470 178.447 176.117 -0.234 0.000 1.088 48 I CA 1.332 62.520 61.300 -0.185 0.000 1.357 48 I CB -0.167 37.656 38.000 -0.294 0.000 1.051 48 I HN 0.419 nan 8.210 nan 0.000 0.409 49 A N 1.303 124.054 122.820 -0.115 0.000 1.851 49 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 49 A C 2.156 179.658 177.584 -0.135 0.000 1.195 49 A CA 1.660 53.620 52.037 -0.129 0.000 0.622 49 A CB -0.515 18.414 19.000 -0.120 0.000 0.831 49 A HN 0.367 nan 8.150 nan 0.000 0.444 50 K N -0.286 120.062 120.400 -0.087 0.000 2.551 50 K HA 0.085 4.405 4.320 -0.000 0.000 0.192 50 K C -0.314 176.218 176.600 -0.114 0.000 1.027 50 K CA 0.228 56.478 56.287 -0.062 0.000 1.059 50 K CB -0.034 32.474 32.500 0.014 0.000 0.831 50 K HN 0.418 nan 8.250 nan 0.000 0.508 51 K N 1.715 121.942 120.400 -0.288 0.000 3.177 51 K HA -0.181 4.139 4.320 -0.000 0.000 0.266 51 K C -0.676 175.865 176.600 -0.097 0.000 0.937 51 K CA 0.505 56.458 56.287 -0.558 0.000 0.702 51 K CB -0.739 31.499 32.500 -0.436 0.000 1.365 51 K HN 0.210 nan 8.250 nan 0.000 0.466 52 Q N 0.644 120.478 119.800 0.057 0.000 2.314 52 Q HA 0.182 4.522 4.340 -0.000 0.000 0.257 52 Q C -2.125 174.067 176.000 0.319 0.000 0.975 52 Q CA -1.909 54.001 55.803 0.178 0.000 0.933 52 Q CB 0.965 29.787 28.738 0.139 0.000 1.195 52 Q HN 0.202 nan 8.270 nan 0.000 0.426 53 P HA 0.009 nan 4.420 nan 0.000 0.269 53 P C -0.207 177.188 177.300 0.158 0.000 1.215 53 P CA -0.204 63.026 63.100 0.218 0.000 0.780 53 P CB 0.887 32.664 31.700 0.129 0.000 0.898 54 V N 3.019 123.022 119.914 0.148 0.000 2.470 54 V HA 0.192 4.312 4.120 -0.000 0.000 0.276 54 V C 1.312 177.479 176.094 0.121 0.000 1.040 54 V CA 0.458 62.859 62.300 0.169 0.000 1.008 54 V CB 0.358 32.350 31.823 0.282 0.000 0.990 54 V HN 0.826 nan 8.190 nan 0.000 0.477 55 T N 1.829 116.442 114.554 0.098 0.000 2.841 55 T HA 0.340 4.690 4.350 -0.000 0.000 0.276 55 T C 0.548 175.272 174.700 0.041 0.000 1.003 55 T CA -0.686 61.437 62.100 0.039 0.000 0.995 55 T CB 1.537 70.406 68.868 0.002 0.000 1.260 55 T HN 0.491 nan 8.240 nan 0.000 0.581 56 Q N -0.286 119.484 119.800 -0.051 0.000 2.482 56 Q HA 0.035 4.375 4.340 -0.000 0.000 0.209 56 Q C 1.190 177.127 176.000 -0.106 0.000 0.961 56 Q CA 0.511 56.242 55.803 -0.120 0.000 0.945 56 Q CB 0.113 28.668 28.738 -0.304 0.000 1.012 56 Q HN 0.474 nan 8.270 nan 0.000 0.515 57 Q N -0.390 119.361 119.800 -0.081 0.000 2.247 57 Q HA 0.116 4.456 4.340 -0.000 0.000 0.211 57 Q C 0.103 176.071 176.000 -0.053 0.000 0.861 57 Q CA 0.303 56.025 55.803 -0.134 0.000 0.949 57 Q CB 0.876 29.507 28.738 -0.177 0.000 1.115 57 Q HN 0.158 nan 8.270 nan 0.000 0.507 58 T N 1.596 116.174 114.554 0.040 0.000 2.901 58 T HA 0.278 4.628 4.350 -0.000 0.000 0.301 58 T C 0.402 175.148 174.700 0.077 0.000 1.012 58 T CA -0.035 62.085 62.100 0.034 0.000 1.135 58 T CB 0.699 69.573 68.868 0.010 0.000 0.936 58 T HN 0.077 nan 8.240 nan 0.000 0.539 59 L N 3.753 124.974 121.223 -0.004 0.000 2.275 59 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 59 L C -0.725 176.138 176.870 -0.013 0.000 1.046 59 L CA -0.572 54.290 54.840 0.037 0.000 0.805 59 L CB 0.492 42.508 42.059 -0.070 0.000 1.193 59 L HN 0.551 nan 8.230 nan 0.000 0.426 60 F N 0.793 120.766 119.950 0.039 0.000 2.522 60 F HA 0.348 4.875 4.527 -0.000 0.000 0.324 60 F C 0.476 176.035 175.800 -0.402 0.000 1.077 60 F CA -0.883 57.084 58.000 -0.056 0.000 0.944 60 F CB 1.483 40.587 39.000 0.174 0.000 1.175 60 F HN 0.381 nan 8.300 nan 0.000 0.468 61 E N 2.556 122.213 120.200 -0.905 0.000 2.324 61 E HA 0.149 4.499 4.350 -0.000 0.000 0.271 61 E C 0.500 177.007 176.600 -0.156 0.000 1.028 61 E CA 0.009 56.077 56.400 -0.553 0.000 0.890 61 E CB 0.703 29.975 29.700 -0.714 0.000 1.004 61 E HN 0.615 nan 8.360 nan 0.000 0.431 62 L N 3.080 124.299 121.223 -0.007 0.000 2.492 62 L HA 0.091 4.431 4.340 -0.000 0.000 0.223 62 L C 1.410 178.381 176.870 0.168 0.000 1.132 62 L CA 0.347 55.256 54.840 0.114 0.000 0.850 62 L CB -0.847 41.289 42.059 0.128 0.000 0.966 62 L HN 0.894 nan 8.230 nan 0.000 0.454 63 G N 0.397 109.299 108.800 0.169 0.000 2.596 63 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.295 63 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.295 63 G C 0.850 175.911 174.900 0.269 0.000 1.240 63 G CA 0.364 45.603 45.100 0.231 0.000 0.985 63 G HN 0.188 nan 8.290 nan 0.000 0.555 64 S N -0.298 115.564 115.700 0.269 0.000 2.500 64 S HA 0.012 4.482 4.470 -0.000 0.000 0.239 64 S C 2.403 177.141 174.600 0.231 0.000 0.989 64 S CA 1.311 59.684 58.200 0.288 0.000 0.951 64 S CB -0.184 63.229 63.200 0.355 0.000 0.759 64 S HN 0.749 nan 8.310 nan 0.000 0.523 65 V N 1.670 121.707 119.914 0.206 0.000 2.867 65 V HA -0.140 3.980 4.120 -0.000 0.000 0.260 65 V C 2.080 178.289 176.094 0.192 0.000 1.099 65 V CA 1.470 63.865 62.300 0.159 0.000 1.122 65 V CB -0.817 31.126 31.823 0.200 0.000 0.708 65 V HN 0.461 nan 8.190 nan 0.000 0.490 66 S N -0.216 115.633 115.700 0.248 0.000 2.419 66 S HA -0.218 4.252 4.470 -0.000 0.000 0.233 66 S C 1.906 176.671 174.600 0.276 0.000 1.016 66 S CA 1.191 59.578 58.200 0.311 0.000 0.974 66 S CB -0.264 63.054 63.200 0.198 0.000 0.786 66 S HN 0.641 nan 8.310 nan 0.000 0.492 67 K N 1.009 121.521 120.400 0.186 0.000 2.211 67 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 67 K C 2.465 179.093 176.600 0.047 0.000 1.047 67 K CA 1.626 58.002 56.287 0.149 0.000 0.935 67 K CB -0.497 32.114 32.500 0.184 0.000 0.728 67 K HN 0.632 nan 8.250 nan 0.000 0.452 68 T N -1.413 113.058 114.554 -0.138 0.000 2.904 68 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 68 T C 1.713 176.432 174.700 0.032 0.000 1.059 68 T CA 0.749 62.598 62.100 -0.419 0.000 1.137 68 T CB -0.295 67.870 68.868 -1.171 0.000 0.879 68 T HN 0.006 nan 8.240 nan 0.000 0.467 69 F N 2.086 122.122 119.950 0.142 0.000 2.163 69 F HA 0.083 4.610 4.527 -0.000 0.000 0.297 69 F C 3.009 178.885 175.800 0.126 0.000 1.094 69 F CA 1.240 59.277 58.000 0.062 0.000 1.290 69 F CB -1.100 37.803 39.000 -0.162 0.000 1.017 69 F HN 0.119 nan 8.300 nan 0.000 0.483 70 T N -0.482 114.274 114.554 0.338 0.000 2.708 70 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 70 T C 2.372 177.260 174.700 0.313 0.000 1.037 70 T CA 1.515 63.818 62.100 0.339 0.000 1.146 70 T CB -1.075 67.992 68.868 0.333 0.000 0.865 70 T HN 0.433 nan 8.240 nan 0.000 0.435 71 G N 0.868 109.826 108.800 0.263 0.000 2.440 71 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 71 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 71 G C 1.696 176.766 174.900 0.283 0.000 1.154 71 G CA 0.911 46.165 45.100 0.258 0.000 0.767 71 G HN 0.443 nan 8.290 nan 0.000 0.552 72 V N 0.483 120.579 119.914 0.302 0.000 2.427 72 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 72 V C 2.647 178.875 176.094 0.224 0.000 1.051 72 V CA 1.467 63.954 62.300 0.312 0.000 1.048 72 V CB -0.228 31.890 31.823 0.491 0.000 0.666 72 V HN 0.353 nan 8.190 nan 0.000 0.456 73 L N 1.357 122.687 121.223 0.179 0.000 2.046 73 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 73 L C 2.345 179.237 176.870 0.037 0.000 1.077 73 L CA 2.463 57.326 54.840 0.038 0.000 0.747 73 L CB -1.310 40.690 42.059 -0.098 0.000 0.896 73 L HN 0.261 nan 8.230 nan 0.000 0.432 74 G N -1.102 107.769 108.800 0.119 0.000 2.418 74 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 74 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 74 G C 1.530 176.536 174.900 0.178 0.000 1.158 74 G CA 0.577 45.754 45.100 0.128 0.000 0.771 74 G HN 0.600 nan 8.290 nan 0.000 0.545 75 G N 0.618 109.540 108.800 0.202 0.000 2.440 75 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 75 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 75 G C 1.449 176.408 174.900 0.100 0.000 1.154 75 G CA 1.360 46.555 45.100 0.159 0.000 0.767 75 G HN 0.507 nan 8.290 nan 0.000 0.552 76 D N 0.373 120.821 120.400 0.079 0.000 2.178 76 D HA 0.060 4.700 4.640 -0.000 0.000 0.201 76 D C 2.630 178.935 176.300 0.008 0.000 0.980 76 D CA 1.323 55.345 54.000 0.038 0.000 0.842 76 D CB -0.210 40.603 40.800 0.020 0.000 0.948 76 D HN 0.256 nan 8.370 nan 0.000 0.472 77 A N -0.104 122.710 122.820 -0.010 0.000 1.929 77 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 77 A C 2.253 179.832 177.584 -0.008 0.000 1.176 77 A CA 0.864 52.877 52.037 -0.040 0.000 0.628 77 A CB -0.650 18.287 19.000 -0.105 0.000 0.816 77 A HN 0.346 nan 8.150 nan 0.000 0.444 78 I N -0.038 120.547 120.570 0.026 0.000 2.179 78 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 78 I C 2.939 179.080 176.117 0.039 0.000 1.088 78 I CA 1.112 62.440 61.300 0.046 0.000 1.357 78 I CB -0.321 37.727 38.000 0.079 0.000 1.051 78 I HN 0.326 nan 8.210 nan 0.000 0.409 79 A N 0.759 123.601 122.820 0.038 0.000 1.978 79 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 79 A C 2.327 179.922 177.584 0.018 0.000 1.170 79 A CA 1.556 53.610 52.037 0.029 0.000 0.636 79 A CB -0.592 18.425 19.000 0.028 0.000 0.810 79 A HN 0.362 nan 8.150 nan 0.000 0.448 80 R N -1.557 118.950 120.500 0.011 0.000 2.276 80 R HA 0.162 4.502 4.340 -0.000 0.000 0.203 80 R C 1.285 177.592 176.300 0.011 0.000 1.017 80 R CA 0.544 56.647 56.100 0.004 0.000 1.010 80 R CB -0.167 30.128 30.300 -0.009 0.000 0.900 80 R HN 0.715 nan 8.270 nan 0.000 0.469 81 G N 1.132 109.944 108.800 0.020 0.000 2.147 81 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 81 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 81 G C 0.444 175.368 174.900 0.040 0.000 1.005 81 G CA 0.454 45.573 45.100 0.031 0.000 0.713 81 G HN 0.457 nan 8.290 nan 0.000 0.515 82 E N -0.674 119.543 120.200 0.028 0.000 2.250 82 E HA 0.286 4.636 4.350 -0.000 0.000 0.192 82 E C 1.481 178.123 176.600 0.070 0.000 0.986 82 E CA 1.095 57.516 56.400 0.036 0.000 0.849 82 E CB 0.318 30.012 29.700 -0.010 0.000 0.797 82 E HN 0.906 nan 8.360 nan 0.000 0.482 83 I N -2.477 118.111 120.570 0.031 0.000 3.095 83 I HA 0.506 4.676 4.170 -0.000 0.000 0.310 83 I C -1.514 174.653 176.117 0.083 0.000 1.196 83 I CA -1.326 59.994 61.300 0.032 0.000 0.985 83 I CB 2.304 40.149 38.000 -0.258 0.000 1.250 83 I HN -0.346 nan 8.210 nan 0.000 0.446 84 K N 2.474 122.958 120.400 0.140 0.000 2.427 84 K HA 0.507 4.827 4.320 -0.000 0.000 0.252 84 K C 0.004 176.679 176.600 0.125 0.000 0.931 84 K CA -0.735 55.626 56.287 0.122 0.000 0.793 84 K CB 2.863 35.439 32.500 0.128 0.000 1.211 84 K HN 0.597 nan 8.250 nan 0.000 0.426 85 L N 1.180 122.455 121.223 0.088 0.000 2.456 85 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 85 L C 1.774 178.668 176.870 0.040 0.000 1.148 85 L CA 1.196 56.065 54.840 0.048 0.000 0.825 85 L CB -0.233 41.806 42.059 -0.034 0.000 0.937 85 L HN 0.713 nan 8.230 nan 0.000 0.450 86 S N -3.132 112.608 115.700 0.066 0.000 2.524 86 S HA 0.043 4.513 4.470 -0.000 0.000 0.216 86 S C 0.581 175.246 174.600 0.108 0.000 0.987 86 S CA -0.458 57.779 58.200 0.063 0.000 0.909 86 S CB -0.163 63.069 63.200 0.054 0.000 0.781 86 S HN 0.190 nan 8.310 nan 0.000 0.521 87 D N 4.328 124.825 120.400 0.162 0.000 2.372 87 D HA 0.289 4.929 4.640 -0.000 0.000 0.243 87 D C -2.341 174.095 176.300 0.226 0.000 1.121 87 D CA -1.403 52.720 54.000 0.206 0.000 0.898 87 D CB 0.793 41.806 40.800 0.355 0.000 1.202 87 D HN 0.225 nan 8.370 nan 0.000 0.428 88 P HA 0.059 nan 4.420 nan 0.000 0.274 88 P C 0.524 177.979 177.300 0.259 0.000 1.231 88 P CA -0.297 62.932 63.100 0.216 0.000 0.790 88 P CB 0.816 32.615 31.700 0.165 0.000 0.951 89 T N 0.759 115.495 114.554 0.304 0.000 2.737 89 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 89 T C 1.734 176.563 174.700 0.214 0.000 1.040 89 T CA 2.654 64.932 62.100 0.297 0.000 1.142 89 T CB -1.121 67.943 68.868 0.327 0.000 0.861 89 T HN 0.661 nan 8.240 nan 0.000 0.456 90 T N 0.393 115.035 114.554 0.146 0.000 2.977 90 T HA -0.030 4.320 4.350 -0.000 0.000 0.271 90 T C 1.758 176.469 174.700 0.019 0.000 1.105 90 T CA 1.082 63.218 62.100 0.059 0.000 1.116 90 T CB -0.240 68.653 68.868 0.041 0.000 0.878 90 T HN 0.409 nan 8.240 nan 0.000 0.509 91 K N 0.261 120.638 120.400 -0.039 0.000 2.147 91 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 91 K C 1.102 177.446 176.600 -0.427 0.000 1.049 91 K CA 1.170 57.292 56.287 -0.274 0.000 0.936 91 K CB -0.180 32.051 32.500 -0.448 0.000 0.722 91 K HN 0.552 nan 8.250 nan 0.000 0.446 92 Y N -2.325 118.018 120.300 0.071 0.000 2.457 92 Y HA 0.096 4.646 4.550 -0.000 0.000 0.263 92 Y C 0.033 176.001 175.900 0.112 0.000 1.164 92 Y CA -0.529 57.601 58.100 0.050 0.000 1.274 92 Y CB 0.588 39.049 38.460 0.002 0.000 1.097 92 Y HN 0.142 nan 8.280 nan 0.000 0.523 93 W N 1.739 123.028 121.300 -0.018 0.000 1.752 93 W HA 0.373 5.033 4.660 -0.000 0.000 0.308 93 W C -2.645 173.818 176.519 -0.094 0.000 0.978 93 W CA -3.416 53.885 57.345 -0.072 0.000 1.401 93 W CB 0.728 30.105 29.460 -0.138 0.000 1.522 93 W HN -0.127 nan 8.180 nan 0.000 0.359 94 P HA -0.226 nan 4.420 nan 0.000 0.220 94 P C 1.444 178.693 177.300 -0.085 0.000 1.144 94 P CA 1.890 64.986 63.100 -0.007 0.000 0.800 94 P CB 0.380 32.089 31.700 0.014 0.000 0.772 95 E N -0.499 119.623 120.200 -0.130 0.000 2.110 95 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 95 E C 0.929 177.268 176.600 -0.435 0.000 0.988 95 E CA 0.597 56.852 56.400 -0.242 0.000 0.804 95 E CB -0.722 28.846 29.700 -0.219 0.000 0.745 95 E HN 0.241 nan 8.360 nan 0.000 0.458 96 L N 3.315 124.121 121.223 -0.694 0.000 2.400 96 L HA 0.008 4.348 4.340 -0.000 0.000 0.262 96 L C 1.206 177.866 176.870 -0.351 0.000 1.309 96 L CA 0.494 54.883 54.840 -0.751 0.000 1.186 96 L CB -0.382 41.043 42.059 -1.057 0.000 1.375 96 L HN 0.014 nan 8.230 nan 0.000 0.433 97 T N -0.743 113.685 114.554 -0.209 0.000 3.051 97 T HA 0.255 4.605 4.350 -0.000 0.000 0.255 97 T C 1.001 175.712 174.700 0.019 0.000 1.085 97 T CA 0.249 62.307 62.100 -0.071 0.000 1.109 97 T CB -0.106 68.727 68.868 -0.058 0.000 0.921 97 T HN 0.544 nan 8.240 nan 0.000 0.488 98 A N 3.095 125.945 122.820 0.050 0.000 2.580 98 A HA 0.192 4.512 4.320 -0.000 0.000 0.244 98 A C 1.698 179.405 177.584 0.205 0.000 1.045 98 A CA 0.243 52.363 52.037 0.140 0.000 0.761 98 A CB -0.002 19.120 19.000 0.204 0.000 0.962 98 A HN 0.722 nan 8.150 nan 0.000 0.512 99 K N 2.516 122.980 120.400 0.107 0.000 2.144 99 K HA -0.307 4.013 4.320 -0.000 0.000 0.209 99 K C 1.524 178.164 176.600 0.067 0.000 1.047 99 K CA 1.822 58.155 56.287 0.077 0.000 0.927 99 K CB -0.223 32.292 32.500 0.025 0.000 0.716 99 K HN 0.841 nan 8.250 nan 0.000 0.454 100 Q N 0.387 120.200 119.800 0.020 0.000 2.439 100 Q HA -0.168 4.172 4.340 -0.000 0.000 0.211 100 Q C 0.797 176.703 176.000 -0.156 0.000 0.978 100 Q CA 1.272 56.997 55.803 -0.130 0.000 0.897 100 Q CB -0.423 28.130 28.738 -0.308 0.000 0.956 100 Q HN 0.629 nan 8.270 nan 0.000 0.483 101 W N 1.899 123.251 121.300 0.087 0.000 3.256 101 W HA 0.199 4.859 4.660 -0.000 0.000 0.269 101 W C 0.168 176.746 176.519 0.099 0.000 1.310 101 W CA -0.636 56.784 57.345 0.124 0.000 1.673 101 W CB 0.117 29.634 29.460 0.094 0.000 1.115 101 W HN -0.023 nan 8.180 nan 0.000 0.686 102 N N 0.830 119.648 118.700 0.197 0.000 2.454 102 N HA 0.147 4.886 4.740 -0.000 0.000 0.260 102 N C 1.241 176.834 175.510 0.139 0.000 1.218 102 N CA 1.720 54.861 53.050 0.153 0.000 0.904 102 N CB 0.874 39.419 38.487 0.095 0.000 1.065 102 N HN 0.276 nan 8.380 nan 0.000 0.462 103 G N 1.855 110.757 108.800 0.170 0.000 2.253 103 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 103 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 103 G C 0.229 175.289 174.900 0.267 0.000 0.998 103 G CA -0.289 44.924 45.100 0.188 0.000 0.621 103 G HN 0.582 nan 8.290 nan 0.000 0.524 104 I N 3.194 123.926 120.570 0.270 0.000 2.379 104 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 104 I C 1.262 177.673 176.117 0.491 0.000 1.063 104 I CA 0.453 61.967 61.300 0.358 0.000 1.351 104 I CB 0.713 38.877 38.000 0.273 0.000 1.410 104 I HN 0.339 nan 8.210 nan 0.000 0.505 105 T N 3.000 117.936 114.554 0.637 0.000 2.923 105 T HA 0.442 4.792 4.350 -0.000 0.000 0.281 105 T C 1.191 176.044 174.700 0.256 0.000 0.995 105 T CA -0.913 61.378 62.100 0.317 0.000 0.985 105 T CB 1.609 70.547 68.868 0.117 0.000 1.114 105 T HN 0.419 nan 8.240 nan 0.000 0.548 106 L N 0.248 121.600 121.223 0.215 0.000 2.187 106 L HA -0.028 4.312 4.340 -0.000 0.000 0.213 106 L C 2.486 179.376 176.870 0.034 0.000 1.100 106 L CA 0.893 55.871 54.840 0.230 0.000 0.765 106 L CB -0.689 41.537 42.059 0.279 0.000 0.904 106 L HN 0.623 nan 8.230 nan 0.000 0.437 107 L N -0.682 120.496 121.223 -0.075 0.000 2.046 107 L HA -0.226 4.113 4.340 -0.000 0.000 0.208 107 L C 2.371 179.176 176.870 -0.109 0.000 1.077 107 L CA 1.817 56.522 54.840 -0.224 0.000 0.747 107 L CB -0.466 41.455 42.059 -0.230 0.000 0.896 107 L HN 0.209 nan 8.230 nan 0.000 0.432 108 H N -0.885 118.240 119.070 0.092 0.000 2.319 108 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 108 H C 2.211 177.542 175.328 0.006 0.000 1.092 108 H CA 1.942 58.049 56.048 0.098 0.000 1.302 108 H CB -0.179 29.663 29.762 0.134 0.000 1.373 108 H HN 0.311 nan 8.280 nan 0.000 0.497 109 L N 0.060 121.374 121.223 0.152 0.000 2.017 109 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 109 L C 2.861 179.662 176.870 -0.115 0.000 1.073 109 L CA 0.889 55.783 54.840 0.091 0.000 0.745 109 L CB -0.567 41.611 42.059 0.198 0.000 0.894 109 L HN 0.345 nan 8.230 nan 0.000 0.432 110 A N -0.172 122.413 122.820 -0.393 0.000 2.019 110 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 110 A C 2.083 179.256 177.584 -0.685 0.000 1.164 110 A CA 2.132 53.667 52.037 -0.836 0.000 0.644 110 A CB -0.740 17.291 19.000 -1.615 0.000 0.805 110 A HN 0.539 nan 8.150 nan 0.000 0.449 111 T N -6.161 108.117 114.554 -0.459 0.000 3.174 111 T HA 0.338 4.687 4.350 -0.000 0.000 0.269 111 T C 0.271 174.788 174.700 -0.306 0.000 1.017 111 T CA 0.213 62.066 62.100 -0.412 0.000 0.899 111 T CB -0.847 68.069 68.868 0.079 0.000 1.077 111 T HN 0.711 nan 8.240 nan 0.000 0.552 112 Y N 0.819 121.123 120.300 0.007 0.000 4.177 112 Y HA -0.281 4.269 4.550 -0.000 0.000 0.227 112 Y C 1.189 177.063 175.900 -0.043 0.000 1.154 112 Y CA 0.546 58.647 58.100 0.002 0.000 1.887 112 Y CB -2.967 35.511 38.460 0.030 0.000 1.594 112 Y HN 0.600 nan 8.280 nan 0.000 0.668 113 T N -4.177 110.392 114.554 0.026 0.000 3.215 113 T HA 0.666 5.016 4.350 -0.000 0.000 0.271 113 T C 1.311 175.988 174.700 -0.039 0.000 1.012 113 T CA 0.118 62.145 62.100 -0.123 0.000 0.899 113 T CB 0.785 69.338 68.868 -0.526 0.000 1.089 113 T HN 0.487 nan 8.240 nan 0.000 0.552 114 A N 1.249 124.094 122.820 0.041 0.000 2.119 114 A HA 0.565 4.885 4.320 -0.000 0.000 0.217 114 A C 1.855 179.480 177.584 0.069 0.000 1.153 114 A CA 0.542 52.566 52.037 -0.022 0.000 0.692 114 A CB -0.870 18.116 19.000 -0.023 0.000 0.799 114 A HN 1.548 nan 8.150 nan 0.000 0.458 115 G N -2.977 105.948 108.800 0.208 0.000 2.245 115 G HA2 0.381 4.340 3.960 -0.000 0.000 0.130 115 G HA3 0.381 4.340 3.960 -0.000 0.000 0.130 115 G C 1.028 176.270 174.900 0.570 0.000 1.040 115 G CA 0.395 45.739 45.100 0.406 0.000 0.713 115 G HN 1.990 nan 8.290 nan 0.000 0.488 116 G N -1.166 107.992 108.800 0.597 0.000 2.148 116 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.203 116 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.203 116 G C 0.526 175.687 174.900 0.435 0.000 0.993 116 G CA 0.005 45.399 45.100 0.491 0.000 0.661 116 G HN 1.327 nan 8.290 nan 0.000 0.518 117 L N 2.561 123.897 121.223 0.188 0.000 2.559 117 L HA 0.197 4.537 4.340 -0.000 0.000 0.282 117 L C -0.777 176.162 176.870 0.116 0.000 1.232 117 L CA -1.009 53.749 54.840 -0.137 0.000 0.885 117 L CB 0.240 42.168 42.059 -0.218 0.000 1.131 117 L HN 0.099 nan 8.230 nan 0.000 0.498 118 P HA -0.109 nan 4.420 nan 0.000 0.267 118 P C 0.552 177.938 177.300 0.143 0.000 1.200 118 P CA -0.318 62.898 63.100 0.195 0.000 0.772 118 P CB 0.903 32.762 31.700 0.266 0.000 0.855 119 L N 1.861 123.155 121.223 0.118 0.000 2.079 119 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 119 L C 0.895 177.804 176.870 0.066 0.000 1.081 119 L CA 1.941 56.825 54.840 0.074 0.000 0.752 119 L CB -0.486 41.629 42.059 0.093 0.000 0.896 119 L HN 0.432 nan 8.230 nan 0.000 0.433 120 Q N -1.020 118.827 119.800 0.079 0.000 2.389 120 Q HA 0.434 4.774 4.340 -0.000 0.000 0.277 120 Q C -1.193 174.813 176.000 0.011 0.000 1.082 120 Q CA -0.993 54.843 55.803 0.055 0.000 0.810 120 Q CB 2.678 31.437 28.738 0.034 0.000 1.374 120 Q HN -0.132 nan 8.270 nan 0.000 0.422 121 V N 2.741 122.615 119.914 -0.067 0.000 2.488 121 V HA 0.171 4.291 4.120 -0.000 0.000 0.277 121 V C -2.090 173.827 176.094 -0.296 0.000 1.046 121 V CA -1.375 60.718 62.300 -0.344 0.000 0.986 121 V CB 0.405 32.036 31.823 -0.320 0.000 0.989 121 V HN 0.629 nan 8.190 nan 0.000 0.475 122 P HA -0.035 nan 4.420 nan 0.000 0.263 122 P C 0.489 177.695 177.300 -0.156 0.000 1.175 122 P CA 0.286 63.270 63.100 -0.192 0.000 0.761 122 P CB 0.393 31.988 31.700 -0.174 0.000 0.794 123 D N 1.831 122.187 120.400 -0.073 0.000 2.378 123 D HA -0.142 4.498 4.640 -0.000 0.000 0.222 123 D C 0.934 177.211 176.300 -0.039 0.000 0.980 123 D CA 1.034 55.008 54.000 -0.043 0.000 0.907 123 D CB 0.125 40.918 40.800 -0.012 0.000 0.899 123 D HN 0.334 nan 8.370 nan 0.000 0.527 124 E N -0.816 119.356 120.200 -0.047 0.000 2.478 124 E HA 0.089 4.439 4.350 -0.000 0.000 0.194 124 E C -0.037 176.541 176.600 -0.037 0.000 1.045 124 E CA 0.007 56.391 56.400 -0.027 0.000 0.868 124 E CB 0.584 30.277 29.700 -0.013 0.000 0.885 124 E HN 0.087 nan 8.360 nan 0.000 0.505 125 V N 1.019 120.884 119.914 -0.083 0.000 2.470 125 V HA 0.338 4.458 4.120 -0.000 0.000 0.276 125 V C 0.971 177.033 176.094 -0.053 0.000 1.040 125 V CA 0.935 63.182 62.300 -0.089 0.000 1.008 125 V CB 0.710 32.401 31.823 -0.220 0.000 0.990 125 V HN 0.288 nan 8.190 nan 0.000 0.477 126 K N 3.359 123.749 120.400 -0.017 0.000 2.494 126 K HA 0.329 4.649 4.320 -0.000 0.000 0.201 126 K C 1.076 177.680 176.600 0.006 0.000 1.338 126 K CA 0.661 56.944 56.287 -0.006 0.000 0.935 126 K CB -0.086 32.415 32.500 0.001 0.000 1.514 126 K HN 0.751 nan 8.250 nan 0.000 0.490 127 S N 0.962 116.674 115.700 0.020 0.000 2.632 127 S HA 0.251 4.720 4.470 -0.000 0.000 0.267 127 S C 1.443 176.075 174.600 0.053 0.000 1.276 127 S CA 0.301 58.520 58.200 0.031 0.000 0.998 127 S CB 1.512 64.733 63.200 0.035 0.000 0.953 127 S HN 0.830 nan 8.310 nan 0.000 0.547 128 S N 1.149 116.882 115.700 0.054 0.000 2.419 128 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 128 S C 1.837 176.527 174.600 0.151 0.000 1.016 128 S CA 1.199 59.451 58.200 0.086 0.000 0.974 128 S CB -1.030 62.203 63.200 0.055 0.000 0.786 128 S HN 0.630 nan 8.310 nan 0.000 0.492 129 S N 2.131 117.899 115.700 0.114 0.000 2.348 129 S HA -0.112 4.358 4.470 -0.000 0.000 0.221 129 S C 1.640 176.321 174.600 0.135 0.000 1.033 129 S CA 1.444 59.714 58.200 0.118 0.000 1.010 129 S CB -0.660 62.587 63.200 0.078 0.000 0.891 129 S HN 0.550 nan 8.310 nan 0.000 0.442 130 D N 1.058 121.525 120.400 0.111 0.000 2.123 130 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 130 D C 1.884 178.289 176.300 0.175 0.000 0.992 130 D CA 0.685 54.751 54.000 0.110 0.000 0.833 130 D CB -0.469 40.366 40.800 0.059 0.000 0.954 130 D HN 0.177 nan 8.370 nan 0.000 0.455 131 L N 0.367 121.714 121.223 0.207 0.000 2.017 131 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 131 L C 2.216 179.404 176.870 0.531 0.000 1.073 131 L CA 1.132 56.176 54.840 0.341 0.000 0.745 131 L CB -0.591 41.664 42.059 0.328 0.000 0.894 131 L HN 0.044 nan 8.230 nan 0.000 0.432 132 L N -0.341 121.169 121.223 0.478 0.000 1.976 132 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 132 L C 2.721 179.671 176.870 0.134 0.000 1.071 132 L CA 2.058 57.074 54.840 0.294 0.000 0.746 132 L CB -0.779 41.405 42.059 0.208 0.000 0.890 132 L HN 0.304 nan 8.230 nan 0.000 0.432 133 R N -1.314 119.273 120.500 0.145 0.000 2.113 133 R HA -0.287 4.053 4.340 -0.000 0.000 0.244 133 R C 2.373 178.762 176.300 0.149 0.000 1.142 133 R CA 2.274 58.443 56.100 0.114 0.000 0.953 133 R CB -0.773 29.595 30.300 0.113 0.000 0.860 133 R HN 0.480 nan 8.270 nan 0.000 0.438 134 F N 0.479 120.447 119.950 0.030 0.000 2.065 134 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 134 F C 1.584 177.381 175.800 -0.006 0.000 1.112 134 F CA 1.642 59.618 58.000 -0.039 0.000 1.212 134 F CB -0.694 38.202 39.000 -0.173 0.000 0.975 134 F HN 0.048 nan 8.300 nan 0.000 0.476 135 Y N 0.321 120.613 120.300 -0.014 0.000 2.373 135 Y HA -0.127 4.423 4.550 -0.000 0.000 0.293 135 Y C 2.537 178.558 175.900 0.201 0.000 1.129 135 Y CA 1.237 59.334 58.100 -0.005 0.000 1.226 135 Y CB -0.736 37.674 38.460 -0.083 0.000 1.000 135 Y HN 0.177 nan 8.280 nan 0.000 0.549 136 Q N -0.277 119.615 119.800 0.154 0.000 2.187 136 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 136 Q C 1.242 177.345 176.000 0.172 0.000 0.957 136 Q CA 0.921 56.810 55.803 0.145 0.000 0.857 136 Q CB -0.146 28.599 28.738 0.011 0.000 0.929 136 Q HN 0.487 nan 8.270 nan 0.000 0.453 137 N N -0.644 118.122 118.700 0.110 0.000 2.424 137 N HA -0.046 4.693 4.740 -0.000 0.000 0.178 137 N C 0.034 175.568 175.510 0.040 0.000 1.060 137 N CA -0.041 53.044 53.050 0.059 0.000 0.901 137 N CB -0.079 38.437 38.487 0.048 0.000 0.979 137 N HN 0.209 nan 8.380 nan 0.000 0.451 138 W N 3.011 124.226 121.300 -0.141 0.000 2.257 138 W HA 0.076 4.736 4.660 -0.000 0.000 0.337 138 W C -0.439 175.991 176.519 -0.149 0.000 1.321 138 W CA 0.227 57.453 57.345 -0.199 0.000 1.267 138 W CB 0.531 29.834 29.460 -0.262 0.000 1.187 138 W HN -0.093 nan 8.180 nan 0.000 0.565 139 Q N 7.315 126.482 119.800 -1.055 0.000 2.325 139 Q HA 0.307 4.647 4.340 -0.000 0.000 0.270 139 Q C -2.126 172.978 176.000 -1.494 0.000 1.020 139 Q CA -2.065 53.082 55.803 -1.093 0.000 0.785 139 Q CB 1.390 29.800 28.738 -0.547 0.000 1.259 139 Q HN 0.335 nan 8.270 nan 0.000 0.452 140 P HA 0.027 nan 4.420 nan 0.000 0.266 140 P C -0.097 176.820 177.300 -0.639 0.000 1.195 140 P CA 0.223 62.701 63.100 -1.036 0.000 0.768 140 P CB 0.798 32.062 31.700 -0.727 0.000 0.838 141 A N 2.499 124.951 122.820 -0.613 0.000 2.095 141 A HA 0.134 4.454 4.320 -0.000 0.000 0.212 141 A C 0.097 177.026 177.584 -1.093 0.000 1.162 141 A CA 0.705 52.142 52.037 -1.000 0.000 0.753 141 A CB -0.084 17.947 19.000 -1.615 0.000 0.840 141 A HN 0.539 nan 8.150 nan 0.000 0.468 142 W N -2.676 118.580 121.300 -0.072 0.000 3.042 142 W HA 0.641 5.301 4.660 -0.000 0.000 0.342 142 W C -0.116 176.352 176.519 -0.085 0.000 1.240 142 W CA -1.253 56.051 57.345 -0.067 0.000 1.166 142 W CB 0.975 30.409 29.460 -0.043 0.000 1.469 142 W HN 0.114 nan 8.180 nan 0.000 0.579 143 A N 2.321 125.244 122.820 0.171 0.000 2.407 143 A HA 0.555 4.875 4.320 -0.000 0.000 0.248 143 A C -2.233 175.369 177.584 0.029 0.000 1.082 143 A CA -0.900 51.170 52.037 0.055 0.000 0.785 143 A CB -0.706 18.323 19.000 0.048 0.000 1.020 143 A HN 0.130 nan 8.150 nan 0.000 0.489 144 P HA 0.239 nan 4.420 nan 0.000 0.265 144 P C 0.865 178.073 177.300 -0.152 0.000 1.187 144 P CA 1.709 64.661 63.100 -0.247 0.000 0.766 144 P CB 0.426 31.893 31.700 -0.388 0.000 0.820 145 G N 1.702 110.390 108.800 -0.187 0.000 2.176 145 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 145 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 145 G C 0.652 175.488 174.900 -0.107 0.000 1.024 145 G CA 0.722 45.826 45.100 0.007 0.000 0.755 145 G HN 0.683 nan 8.290 nan 0.000 0.507 146 T N -4.963 109.497 114.554 -0.157 0.000 3.019 146 T HA 0.421 4.771 4.350 -0.000 0.000 0.247 146 T C 0.640 175.171 174.700 -0.281 0.000 0.992 146 T CA 0.745 62.758 62.100 -0.144 0.000 1.036 146 T CB 0.613 69.444 68.868 -0.063 0.000 1.063 146 T HN 0.275 nan 8.240 nan 0.000 0.476 147 Q N 0.942 120.531 119.800 -0.352 0.000 2.387 147 Q HA 0.522 4.862 4.340 -0.000 0.000 0.273 147 Q C -1.202 174.583 176.000 -0.358 0.000 1.089 147 Q CA -0.620 54.887 55.803 -0.493 0.000 0.824 147 Q CB 3.010 31.125 28.738 -1.038 0.000 1.367 147 Q HN 0.391 nan 8.270 nan 0.000 0.443 148 R N 1.839 122.162 120.500 -0.295 0.000 2.310 148 R HA 0.493 4.833 4.340 -0.000 0.000 0.324 148 R C -1.336 174.932 176.300 -0.054 0.000 0.955 148 R CA -0.572 55.450 56.100 -0.130 0.000 0.830 148 R CB 0.405 30.661 30.300 -0.073 0.000 1.154 148 R HN 0.427 nan 8.270 nan 0.000 0.458 149 L N 6.059 127.318 121.223 0.060 0.000 2.388 149 L HA 0.276 4.616 4.340 -0.000 0.000 0.267 149 L C -1.279 175.622 176.870 0.051 0.000 0.995 149 L CA -0.729 54.171 54.840 0.100 0.000 0.864 149 L CB 0.855 43.061 42.059 0.245 0.000 1.216 149 L HN 0.615 nan 8.230 nan 0.000 0.430 150 Y N 4.811 124.964 120.300 -0.245 0.000 2.865 150 Y HA 0.293 4.843 4.550 -0.000 0.000 0.338 150 Y C 0.072 175.776 175.900 -0.327 0.000 1.269 150 Y CA 0.986 58.700 58.100 -0.643 0.000 1.585 150 Y CB 0.314 38.503 38.460 -0.452 0.000 1.224 150 Y HN 0.824 nan 8.280 nan 0.000 0.554 151 A N 5.662 128.065 122.820 -0.696 0.000 2.513 151 A HA 0.293 4.612 4.320 -0.000 0.000 0.296 151 A C -0.070 177.433 177.584 -0.135 0.000 1.052 151 A CA -0.923 50.967 52.037 -0.245 0.000 0.714 151 A CB 0.889 19.904 19.000 0.025 0.000 1.279 151 A HN 0.781 nan 8.150 nan 0.000 0.397 152 N N 1.091 119.743 118.700 -0.080 0.000 2.244 152 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 152 N C 1.932 177.511 175.510 0.115 0.000 1.016 152 N CA 1.875 54.953 53.050 0.046 0.000 0.866 152 N CB -0.062 38.513 38.487 0.148 0.000 0.980 152 N HN 0.828 nan 8.380 nan 0.000 0.430 153 S N -1.227 114.565 115.700 0.154 0.000 2.515 153 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 153 S C 1.972 176.745 174.600 0.288 0.000 0.987 153 S CA 0.690 59.057 58.200 0.279 0.000 0.936 153 S CB 0.077 63.485 63.200 0.347 0.000 0.766 153 S HN 0.160 nan 8.310 nan 0.000 0.528 154 S N 1.229 117.050 115.700 0.201 0.000 2.324 154 S HA 0.271 4.741 4.470 -0.000 0.000 0.210 154 S C 1.590 176.281 174.600 0.152 0.000 1.027 154 S CA 0.445 58.753 58.200 0.181 0.000 0.945 154 S CB -0.536 62.799 63.200 0.226 0.000 0.908 154 S HN 0.562 nan 8.310 nan 0.000 0.496 155 I N 1.282 121.943 120.570 0.152 0.000 2.614 155 I HA 0.018 4.188 4.170 -0.000 0.000 0.258 155 I C 2.019 178.216 176.117 0.133 0.000 1.189 155 I CA 1.034 62.404 61.300 0.116 0.000 1.462 155 I CB -0.534 37.504 38.000 0.063 0.000 1.092 155 I HN 0.473 nan 8.210 nan 0.000 0.442 156 G N 1.046 109.895 108.800 0.081 0.000 2.421 156 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 156 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 156 G C 1.511 176.370 174.900 -0.067 0.000 1.171 156 G CA 0.804 45.887 45.100 -0.028 0.000 0.775 156 G HN 0.385 nan 8.290 nan 0.000 0.543 157 L N -0.172 121.060 121.223 0.014 0.000 2.141 157 L HA 0.161 4.501 4.340 -0.000 0.000 0.209 157 L C 2.386 179.208 176.870 -0.080 0.000 1.094 157 L CA 1.349 56.139 54.840 -0.084 0.000 0.763 157 L CB -0.679 41.280 42.059 -0.167 0.000 0.908 157 L HN 0.235 nan 8.230 nan 0.000 0.437 158 F N 0.401 120.289 119.950 -0.103 0.000 2.095 158 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 158 F C 2.190 177.929 175.800 -0.102 0.000 1.104 158 F CA 1.726 59.669 58.000 -0.094 0.000 1.232 158 F CB -1.080 37.873 39.000 -0.077 0.000 0.987 158 F HN 0.103 nan 8.300 nan 0.000 0.475 159 G N -0.044 108.621 108.800 -0.226 0.000 2.476 159 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 159 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 159 G C 1.837 176.571 174.900 -0.277 0.000 1.164 159 G CA 1.171 46.113 45.100 -0.263 0.000 0.768 159 G HN 0.678 nan 8.290 nan 0.000 0.560 160 A N 0.418 123.027 122.820 -0.352 0.000 1.902 160 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 160 A C 2.439 179.849 177.584 -0.290 0.000 1.181 160 A CA 1.340 53.193 52.037 -0.307 0.000 0.623 160 A CB -0.349 18.437 19.000 -0.357 0.000 0.818 160 A HN 0.369 nan 8.150 nan 0.000 0.443 161 L N -1.022 119.997 121.223 -0.339 0.000 2.156 161 L HA -0.085 4.254 4.340 -0.000 0.000 0.208 161 L C 2.960 179.577 176.870 -0.423 0.000 1.095 161 L CA 0.780 55.429 54.840 -0.319 0.000 0.770 161 L CB -0.570 41.353 42.059 -0.228 0.000 0.914 161 L HN 0.417 nan 8.230 nan 0.000 0.439 162 A N 0.339 122.828 122.820 -0.551 0.000 2.019 162 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 162 A C 2.136 179.510 177.584 -0.350 0.000 1.164 162 A CA 1.786 53.472 52.037 -0.584 0.000 0.644 162 A CB -0.587 17.935 19.000 -0.797 0.000 0.805 162 A HN 0.353 nan 8.150 nan 0.000 0.449 163 V N -4.276 115.493 119.914 -0.241 0.000 3.650 163 V HA 0.078 4.198 4.120 -0.000 0.000 0.271 163 V C 1.717 177.739 176.094 -0.120 0.000 1.281 163 V CA 0.660 62.865 62.300 -0.158 0.000 1.120 163 V CB -0.342 31.418 31.823 -0.105 0.000 0.856 163 V HN 0.187 nan 8.190 nan 0.000 0.443 164 K N 1.670 121.996 120.400 -0.123 0.000 2.015 164 K HA -0.113 4.207 4.320 -0.000 0.000 0.216 164 K C 0.299 176.891 176.600 -0.013 0.000 1.052 164 K CA 2.377 58.628 56.287 -0.059 0.000 0.937 164 K CB -2.150 30.345 32.500 -0.009 0.000 0.719 164 K HN 0.446 nan 8.250 nan 0.000 0.446 165 P HA -0.156 nan 4.420 nan 0.000 0.217 165 P C 1.476 178.775 177.300 -0.001 0.000 1.151 165 P CA 1.936 65.064 63.100 0.046 0.000 0.849 165 P CB -0.132 31.619 31.700 0.085 0.000 0.787 166 S N -1.932 113.747 115.700 -0.036 0.000 2.474 166 S HA 0.057 4.527 4.470 -0.000 0.000 0.235 166 S C 1.932 176.506 174.600 -0.044 0.000 0.997 166 S CA 1.057 59.230 58.200 -0.046 0.000 0.949 166 S CB -1.418 61.738 63.200 -0.074 0.000 0.766 166 S HN 0.325 nan 8.310 nan 0.000 0.517 167 G N 0.883 109.659 108.800 -0.040 0.000 2.284 167 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.261 167 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.261 167 G C 0.108 174.979 174.900 -0.049 0.000 0.997 167 G CA 0.498 45.576 45.100 -0.038 0.000 0.621 167 G HN 0.577 nan 8.290 nan 0.000 0.534 168 L N 1.724 122.909 121.223 -0.064 0.000 2.472 168 L HA 0.510 4.850 4.340 -0.000 0.000 0.260 168 L C 1.590 178.416 176.870 -0.074 0.000 1.209 168 L CA 0.007 54.802 54.840 -0.076 0.000 0.817 168 L CB 0.791 42.788 42.059 -0.103 0.000 1.106 168 L HN 0.472 nan 8.230 nan 0.000 0.479 169 S N -0.047 115.611 115.700 -0.069 0.000 2.655 169 S HA 0.150 4.620 4.470 -0.000 0.000 0.265 169 S C 0.723 175.297 174.600 -0.042 0.000 1.240 169 S CA -0.498 57.678 58.200 -0.041 0.000 0.986 169 S CB 0.649 63.830 63.200 -0.030 0.000 0.985 169 S HN 0.514 nan 8.310 nan 0.000 0.562 170 F N 1.142 121.004 119.950 -0.148 0.000 2.075 170 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 170 F C 2.583 178.272 175.800 -0.185 0.000 1.113 170 F CA 2.170 60.066 58.000 -0.173 0.000 1.218 170 F CB -0.598 38.300 39.000 -0.170 0.000 0.984 170 F HN 0.942 nan 8.300 nan 0.000 0.472 171 E N -0.505 119.659 120.200 -0.060 0.000 2.058 171 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 171 E C 2.150 178.595 176.600 -0.259 0.000 0.997 171 E CA 1.543 57.846 56.400 -0.161 0.000 0.801 171 E CB -0.139 29.549 29.700 -0.020 0.000 0.746 171 E HN 0.381 nan 8.360 nan 0.000 0.450 172 Q N -0.145 119.543 119.800 -0.186 0.000 2.119 172 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 172 Q C 2.048 177.893 176.000 -0.257 0.000 0.972 172 Q CA 1.341 57.035 55.803 -0.182 0.000 0.847 172 Q CB -0.330 28.339 28.738 -0.115 0.000 0.903 172 Q HN 0.410 nan 8.270 nan 0.000 0.433 173 A N 0.486 123.120 122.820 -0.310 0.000 1.873 173 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 173 A C 2.136 179.440 177.584 -0.467 0.000 1.186 173 A CA 1.745 53.579 52.037 -0.339 0.000 0.616 173 A CB -0.452 18.344 19.000 -0.340 0.000 0.823 173 A HN 0.326 nan 8.150 nan 0.000 0.442 174 M N -0.141 119.039 119.600 -0.699 0.000 2.117 174 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 174 M C 2.123 177.822 176.300 -1.002 0.000 1.065 174 M CA 1.908 56.648 55.300 -0.934 0.000 1.114 174 M CB -0.620 31.260 32.600 -1.199 0.000 1.361 174 M HN 0.531 nan 8.290 nan 0.000 0.408 175 Q N -1.201 118.156 119.800 -0.737 0.000 2.050 175 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 175 Q C 1.907 177.732 176.000 -0.291 0.000 0.980 175 Q CA 2.315 57.828 55.803 -0.484 0.000 0.840 175 Q CB -0.324 28.258 28.738 -0.261 0.000 0.898 175 Q HN 0.767 nan 8.270 nan 0.000 0.424 176 T N -2.125 112.280 114.554 -0.248 0.000 3.043 176 T HA 0.048 4.398 4.350 -0.000 0.000 0.263 176 T C 1.643 176.258 174.700 -0.142 0.000 1.094 176 T CA 0.388 62.391 62.100 -0.161 0.000 1.127 176 T CB 0.074 68.862 68.868 -0.134 0.000 0.905 176 T HN 0.131 nan 8.240 nan 0.000 0.490 177 R N 0.014 120.402 120.500 -0.187 0.000 2.254 177 R HA 0.357 4.697 4.340 -0.000 0.000 0.193 177 R C 1.620 177.869 176.300 -0.086 0.000 0.929 177 R CA 0.330 56.353 56.100 -0.129 0.000 1.038 177 R CB 0.337 30.551 30.300 -0.143 0.000 1.009 177 R HN 0.300 nan 8.270 nan 0.000 0.512 178 V N -0.775 119.053 119.914 -0.144 0.000 3.134 178 V HA 0.024 4.144 4.120 -0.000 0.000 0.222 178 V C 1.530 177.702 176.094 0.130 0.000 1.247 178 V CA 0.458 62.759 62.300 0.001 0.000 1.281 178 V CB -0.406 31.396 31.823 -0.035 0.000 1.169 178 V HN -0.039 nan 8.190 nan 0.000 0.512 179 F N 1.529 121.393 119.950 -0.144 0.000 2.046 179 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 179 F C 2.650 178.353 175.800 -0.161 0.000 1.123 179 F CA 1.679 59.553 58.000 -0.210 0.000 1.199 179 F CB -1.340 37.431 39.000 -0.382 0.000 0.972 179 F HN 0.188 nan 8.300 nan 0.000 0.474 180 Q N -0.179 119.641 119.800 0.034 0.000 2.030 180 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 180 Q C -0.280 175.717 176.000 -0.005 0.000 0.986 180 Q CA 2.106 57.892 55.803 -0.028 0.000 0.843 180 Q CB -1.512 27.190 28.738 -0.061 0.000 0.904 180 Q HN 0.263 nan 8.270 nan 0.000 0.420 181 P HA -0.152 nan 4.420 nan 0.000 0.218 181 P C 0.566 177.893 177.300 0.044 0.000 1.148 181 P CA 1.185 64.297 63.100 0.019 0.000 0.822 181 P CB 0.060 31.773 31.700 0.022 0.000 0.784 182 L N -1.197 120.079 121.223 0.088 0.000 2.612 182 L HA 0.132 4.471 4.340 -0.000 0.000 0.230 182 L C 0.381 177.294 176.870 0.071 0.000 1.140 182 L CA 0.119 55.028 54.840 0.115 0.000 0.896 182 L CB -0.687 41.516 42.059 0.240 0.000 1.065 182 L HN -0.025 nan 8.230 nan 0.000 0.447 183 K N 0.816 121.230 120.400 0.023 0.000 3.096 183 K HA -0.176 4.144 4.320 -0.000 0.000 0.266 183 K C -0.220 176.348 176.600 -0.053 0.000 1.043 183 K CA 0.416 56.689 56.287 -0.023 0.000 0.758 183 K CB -1.798 30.695 32.500 -0.012 0.000 1.260 183 K HN 0.353 nan 8.250 nan 0.000 0.481 184 L N 1.229 122.402 121.223 -0.084 0.000 2.422 184 L HA 0.124 4.464 4.340 -0.000 0.000 0.256 184 L C 1.121 177.773 176.870 -0.364 0.000 1.202 184 L CA -0.072 54.651 54.840 -0.195 0.000 1.119 184 L CB -0.147 41.748 42.059 -0.274 0.000 1.383 184 L HN 0.237 nan 8.230 nan 0.000 0.411 185 N N 0.246 118.750 118.700 -0.327 0.000 2.571 185 N HA -0.054 4.686 4.740 -0.000 0.000 0.189 185 N C 0.401 175.460 175.510 -0.751 0.000 1.154 185 N CA 0.413 53.160 53.050 -0.506 0.000 0.907 185 N CB 0.210 38.428 38.487 -0.449 0.000 0.977 185 N HN 0.541 nan 8.380 nan 0.000 0.449 186 H N -0.401 118.512 119.070 -0.261 0.000 2.651 186 H HA 0.221 4.777 4.556 -0.000 0.000 0.241 186 H C -0.523 174.628 175.328 -0.296 0.000 1.225 186 H CA -0.067 55.909 56.048 -0.120 0.000 0.942 186 H CB 0.496 30.250 29.762 -0.012 0.000 1.996 186 H HN -0.068 nan 8.280 nan 0.000 0.600 187 T N 0.885 115.001 114.554 -0.730 0.000 2.812 187 T HA 0.361 4.711 4.350 -0.000 0.000 0.282 187 T C -0.711 173.242 174.700 -1.246 0.000 0.990 187 T CA -0.454 61.082 62.100 -0.940 0.000 0.960 187 T CB 1.375 69.430 68.868 -1.354 0.000 0.948 187 T HN 0.210 nan 8.240 nan 0.000 0.438 188 W N 1.752 122.746 121.300 -0.510 0.000 3.033 188 W HA 0.571 5.231 4.660 0.000 0.000 0.336 188 W C 0.607 177.012 176.519 -0.189 0.000 1.173 188 W CA -0.826 56.355 57.345 -0.273 0.000 1.185 188 W CB 1.069 30.382 29.460 -0.245 0.000 1.425 188 W HN 0.487 nan 8.180 nan 0.000 0.536 189 I N 1.467 122.157 120.570 0.200 0.000 2.731 189 I HA -0.004 4.165 4.170 -0.000 0.000 0.260 189 I C 0.190 176.339 176.117 0.053 0.000 1.138 189 I CA 0.802 62.163 61.300 0.101 0.000 1.461 189 I CB 0.032 38.101 38.000 0.116 0.000 1.128 189 I HN 0.286 nan 8.210 nan 0.000 0.438 190 N N 1.166 119.927 118.700 0.102 0.000 2.491 190 N HA 0.235 4.975 4.740 -0.000 0.000 0.274 190 N C -0.867 174.578 175.510 -0.108 0.000 1.023 190 N CA -0.215 52.832 53.050 -0.006 0.000 0.902 190 N CB 2.634 41.125 38.487 0.006 0.000 1.267 190 N HN -0.231 nan 8.380 nan 0.000 0.503 191 V N 4.667 124.415 119.914 -0.275 0.000 2.450 191 V HA 0.099 4.219 4.120 -0.000 0.000 0.281 191 V C -1.393 174.387 176.094 -0.522 0.000 1.019 191 V CA -0.769 61.221 62.300 -0.517 0.000 1.062 191 V CB -0.034 31.420 31.823 -0.615 0.000 0.979 191 V HN 0.490 nan 8.190 nan 0.000 0.477 192 P HA 0.241 nan 4.420 nan 0.000 0.274 192 P C -2.295 174.780 177.300 -0.375 0.000 1.237 192 P CA -1.706 61.036 63.100 -0.596 0.000 0.793 192 P CB 0.659 31.845 31.700 -0.856 0.000 0.977 193 P HA -0.229 nan 4.420 nan 0.000 0.215 193 P C 1.534 178.752 177.300 -0.137 0.000 1.163 193 P CA 2.482 65.494 63.100 -0.145 0.000 0.894 193 P CB -0.554 31.082 31.700 -0.105 0.000 0.791 194 A N -0.531 122.199 122.820 -0.150 0.000 2.131 194 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 194 A C 1.967 179.487 177.584 -0.106 0.000 1.158 194 A CA 1.558 53.532 52.037 -0.105 0.000 0.665 194 A CB -0.800 18.149 19.000 -0.085 0.000 0.795 194 A HN 0.162 nan 8.150 nan 0.000 0.460 195 E N -0.755 119.334 120.200 -0.186 0.000 2.460 195 E HA -0.003 4.347 4.350 -0.000 0.000 0.200 195 E C 1.409 177.948 176.600 -0.103 0.000 1.011 195 E CA 0.167 56.473 56.400 -0.156 0.000 0.912 195 E CB -0.018 29.511 29.700 -0.286 0.000 0.953 195 E HN 0.762 nan 8.360 nan 0.000 0.494 196 E N 1.262 121.410 120.200 -0.087 0.000 2.097 196 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 196 E C 2.212 178.824 176.600 0.019 0.000 1.000 196 E CA 1.966 58.364 56.400 -0.004 0.000 0.804 196 E CB -0.252 29.443 29.700 -0.008 0.000 0.740 196 E HN 0.169 nan 8.360 nan 0.000 0.454 197 K N 1.028 121.430 120.400 0.004 0.000 2.520 197 K HA -0.127 4.193 4.320 -0.000 0.000 0.197 197 K C 1.180 177.795 176.600 0.024 0.000 1.043 197 K CA 1.730 58.028 56.287 0.019 0.000 0.944 197 K CB -0.818 31.689 32.500 0.013 0.000 0.770 197 K HN 0.301 nan 8.250 nan 0.000 0.480 198 N N -2.096 116.616 118.700 0.019 0.000 2.181 198 N HA 0.133 4.873 4.740 -0.000 0.000 0.207 198 N C -0.273 175.269 175.510 0.054 0.000 1.182 198 N CA -0.490 52.571 53.050 0.018 0.000 0.893 198 N CB 0.441 38.919 38.487 -0.014 0.000 1.032 198 N HN 0.531 nan 8.380 nan 0.000 0.513 199 Y N 2.931 123.157 120.300 -0.124 0.000 2.680 199 Y HA 0.257 4.807 4.550 -0.000 0.000 0.356 199 Y C 0.492 176.313 175.900 -0.131 0.000 1.122 199 Y CA -1.236 56.759 58.100 -0.175 0.000 1.509 199 Y CB -0.057 38.243 38.460 -0.267 0.000 1.245 199 Y HN 0.013 nan 8.280 nan 0.000 0.513 200 A N 5.857 128.756 122.820 0.132 0.000 2.507 200 A HA -0.051 4.269 4.320 -0.000 0.000 0.235 200 A C -0.950 176.701 177.584 0.112 0.000 1.070 200 A CA -0.029 52.054 52.037 0.077 0.000 0.768 200 A CB 0.289 19.268 19.000 -0.034 0.000 1.011 200 A HN 0.931 nan 8.150 nan 0.000 0.502 201 W N 0.206 121.527 121.300 0.036 0.000 2.376 201 W HA 0.501 5.161 4.660 -0.000 0.000 0.322 201 W C 0.828 177.044 176.519 -0.505 0.000 1.160 201 W CA 0.262 57.431 57.345 -0.294 0.000 1.218 201 W CB 1.417 30.557 29.460 -0.533 0.000 1.205 201 W HN 0.948 nan 8.180 nan 0.000 0.559 202 G N 1.489 110.086 108.800 -0.339 0.000 2.476 202 G HA2 0.472 4.432 3.960 -0.000 0.000 0.286 202 G HA3 0.472 4.432 3.960 -0.000 0.000 0.286 202 G C -2.110 172.389 174.900 -0.668 0.000 1.177 202 G CA -0.420 44.169 45.100 -0.851 0.000 0.870 202 G HN 0.438 nan 8.290 nan 0.000 0.528 203 Y N -0.133 120.054 120.300 -0.188 0.000 2.338 203 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 203 Y C 0.461 176.345 175.900 -0.028 0.000 0.968 203 Y CA -0.781 57.276 58.100 -0.073 0.000 1.123 203 Y CB 2.256 40.684 38.460 -0.053 0.000 1.165 203 Y HN 0.479 nan 8.280 nan 0.000 0.452 204 R N 3.186 123.733 120.500 0.078 0.000 2.468 204 R HA 0.306 4.646 4.340 -0.000 0.000 0.302 204 R C -0.834 175.504 176.300 0.062 0.000 1.041 204 R CA -0.321 55.821 56.100 0.070 0.000 0.899 204 R CB 0.437 30.765 30.300 0.047 0.000 1.167 204 R HN 0.918 nan 8.270 nan 0.000 0.483 205 E N 2.683 122.924 120.200 0.069 0.000 2.340 205 E HA -0.239 4.111 4.350 -0.000 0.000 0.240 205 E C 0.568 177.198 176.600 0.049 0.000 1.154 205 E CA 0.659 57.088 56.400 0.048 0.000 0.717 205 E CB -1.197 28.521 29.700 0.031 0.000 1.250 205 E HN 1.189 nan 8.360 nan 0.000 0.386 206 G N -0.108 108.741 108.800 0.083 0.000 2.212 206 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.266 206 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.266 206 G C 0.234 175.210 174.900 0.126 0.000 0.978 206 G CA 0.972 46.125 45.100 0.088 0.000 0.632 206 G HN 0.292 nan 8.290 nan 0.000 0.537 207 K N 0.911 121.355 120.400 0.073 0.000 2.183 207 K HA 0.674 4.994 4.320 -0.000 0.000 0.274 207 K C 0.461 176.964 176.600 -0.162 0.000 1.009 207 K CA 0.004 56.271 56.287 -0.032 0.000 0.888 207 K CB 1.738 34.200 32.500 -0.062 0.000 1.078 207 K HN 0.451 nan 8.250 nan 0.000 0.459 208 A N 2.521 125.107 122.820 -0.390 0.000 2.454 208 A HA 0.391 4.711 4.320 -0.000 0.000 0.260 208 A C -0.028 177.285 177.584 -0.451 0.000 1.106 208 A CA -0.396 51.159 52.037 -0.804 0.000 0.780 208 A CB -0.088 18.199 19.000 -1.190 0.000 1.044 208 A HN 0.563 nan 8.150 nan 0.000 0.498 209 V N 0.906 120.713 119.914 -0.178 0.000 3.049 209 V HA 0.687 4.807 4.120 -0.000 0.000 0.309 209 V C -0.752 175.502 176.094 0.266 0.000 1.148 209 V CA -0.801 61.550 62.300 0.084 0.000 0.990 209 V CB 1.270 33.119 31.823 0.043 0.000 1.039 209 V HN 0.981 nan 8.190 nan 0.000 0.430 210 H N 0.530 119.744 119.070 0.241 0.000 2.731 210 H HA 0.709 5.265 4.556 -0.000 0.000 0.368 210 H C -0.518 174.919 175.328 0.183 0.000 1.168 210 H CA -0.908 55.226 56.048 0.143 0.000 1.181 210 H CB 2.356 32.046 29.762 -0.119 0.000 1.743 210 H HN 0.808 nan 8.280 nan 0.000 0.547 211 V N 1.816 121.926 119.914 0.328 0.000 2.999 211 V HA 0.035 4.155 4.120 -0.000 0.000 0.307 211 V C -0.245 175.972 176.094 0.205 0.000 1.084 211 V CA 0.423 62.869 62.300 0.243 0.000 1.155 211 V CB 1.128 33.096 31.823 0.243 0.000 0.975 211 V HN 0.711 nan 8.190 nan 0.000 0.490 212 S N 6.801 122.605 115.700 0.174 0.000 2.549 212 S HA 0.588 5.058 4.470 -0.000 0.000 0.297 212 S C -2.406 172.282 174.600 0.147 0.000 1.115 212 S CA -0.822 57.463 58.200 0.142 0.000 1.059 212 S CB 1.540 64.806 63.200 0.109 0.000 1.046 212 S HN 0.899 nan 8.310 nan 0.000 0.506 213 P HA 0.371 nan 4.420 nan 0.000 0.269 213 P C -0.183 177.174 177.300 0.096 0.000 1.211 213 P CA -0.126 63.025 63.100 0.085 0.000 0.781 213 P CB 0.266 31.997 31.700 0.050 0.000 0.877 214 G N -1.015 107.831 108.800 0.077 0.000 2.579 214 G HA2 0.510 4.470 3.960 -0.000 0.000 0.292 214 G HA3 0.510 4.470 3.960 -0.000 0.000 0.292 214 G C -1.267 173.639 174.900 0.011 0.000 1.484 214 G CA -0.265 44.881 45.100 0.078 0.000 0.813 214 G HN 0.552 nan 8.290 nan 0.000 0.515 215 A N 0.548 123.359 122.820 -0.016 0.000 2.540 215 A HA 0.528 4.848 4.320 -0.000 0.000 0.239 215 A C 1.443 178.978 177.584 -0.082 0.000 1.061 215 A CA 0.656 52.662 52.037 -0.053 0.000 0.758 215 A CB -0.379 18.579 19.000 -0.069 0.000 0.991 215 A HN 1.834 nan 8.150 nan 0.000 0.502 216 L N 0.542 121.684 121.223 -0.135 0.000 3.737 216 L HA -0.327 4.013 4.340 -0.000 0.000 0.418 216 L C 0.851 177.495 176.870 -0.377 0.000 1.216 216 L CA 0.621 55.325 54.840 -0.227 0.000 0.915 216 L CB -1.816 40.162 42.059 -0.135 0.000 1.834 216 L HN 1.005 nan 8.230 nan 0.000 0.943 217 D N -0.297 119.854 120.400 -0.415 0.000 2.103 217 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 217 D C 2.010 177.900 176.300 -0.683 0.000 0.978 217 D CA 1.197 54.711 54.000 -0.811 0.000 0.829 217 D CB -0.076 40.488 40.800 -0.392 0.000 0.981 217 D HN 0.409 nan 8.370 nan 0.000 0.464 218 A N 0.743 123.340 122.820 -0.372 0.000 1.908 218 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 218 A C 2.074 179.502 177.584 -0.260 0.000 1.181 218 A CA 1.841 53.754 52.037 -0.206 0.000 0.627 218 A CB -0.706 18.260 19.000 -0.057 0.000 0.818 218 A HN 0.198 nan 8.150 nan 0.000 0.445 219 E N -0.420 119.410 120.200 -0.616 0.000 2.208 219 E HA 0.135 4.484 4.350 -0.000 0.000 0.193 219 E C 1.827 178.276 176.600 -0.252 0.000 0.988 219 E CA 1.130 57.107 56.400 -0.705 0.000 0.828 219 E CB -0.177 28.971 29.700 -0.920 0.000 0.763 219 E HN 0.602 nan 8.360 nan 0.000 0.478 220 A N -0.510 122.137 122.820 -0.287 0.000 2.167 220 A HA 0.141 4.461 4.320 -0.000 0.000 0.208 220 A C 0.577 178.190 177.584 0.049 0.000 1.198 220 A CA 0.375 52.350 52.037 -0.104 0.000 0.863 220 A CB 0.087 19.056 19.000 -0.050 0.000 0.904 220 A HN 0.387 nan 8.150 nan 0.000 0.484 221 Y N -4.577 115.754 120.300 0.052 0.000 3.154 221 Y HA 0.400 4.950 4.550 -0.000 0.000 0.278 221 Y C 0.670 176.603 175.900 0.055 0.000 1.049 221 Y CA -0.641 57.505 58.100 0.075 0.000 1.287 221 Y CB -0.532 37.977 38.460 0.083 0.000 1.298 221 Y HN -0.003 nan 8.280 nan 0.000 0.620 222 G N 0.945 109.716 108.800 -0.049 0.000 3.523 222 G HA2 0.441 4.401 3.960 -0.000 0.000 0.270 222 G HA3 0.441 4.401 3.960 -0.000 0.000 0.270 222 G C -0.475 174.423 174.900 -0.005 0.000 1.134 222 G CA -0.033 45.063 45.100 -0.007 0.000 0.825 222 G HN 0.106 nan 8.290 nan 0.000 0.534 223 V N 0.503 120.413 119.914 -0.007 0.000 2.509 223 V HA 0.428 4.547 4.120 -0.000 0.000 0.284 223 V C -0.328 175.675 176.094 -0.152 0.000 1.047 223 V CA -0.574 61.661 62.300 -0.108 0.000 0.952 223 V CB 1.578 33.263 31.823 -0.230 0.000 0.988 223 V HN 0.139 nan 8.190 nan 0.000 0.469 224 K N 2.527 122.796 120.400 -0.218 0.000 2.221 224 K HA 0.793 5.113 4.320 -0.000 0.000 0.258 224 K C -0.519 175.953 176.600 -0.213 0.000 0.944 224 K CA -0.166 55.979 56.287 -0.236 0.000 0.823 224 K CB 1.938 34.199 32.500 -0.399 0.000 1.113 224 K HN 0.699 nan 8.250 nan 0.000 0.431 225 S N 0.248 115.888 115.700 -0.100 0.000 2.596 225 S HA 0.575 5.045 4.470 -0.000 0.000 0.270 225 S C -1.087 173.576 174.600 0.106 0.000 1.155 225 S CA -0.729 57.428 58.200 -0.072 0.000 0.827 225 S CB 0.923 64.032 63.200 -0.152 0.000 1.130 225 S HN 0.686 nan 8.310 nan 0.000 0.467 226 T N 0.421 115.033 114.554 0.097 0.000 2.881 226 T HA 0.480 4.830 4.350 -0.000 0.000 0.278 226 T C 1.294 176.088 174.700 0.158 0.000 0.982 226 T CA -0.476 61.720 62.100 0.160 0.000 0.989 226 T CB 0.680 69.586 68.868 0.062 0.000 1.058 226 T HN 0.467 nan 8.240 nan 0.000 0.529 227 I N 0.629 121.299 120.570 0.167 0.000 2.493 227 I HA -0.016 4.154 4.170 -0.000 0.000 0.254 227 I C 2.292 178.541 176.117 0.219 0.000 1.160 227 I CA 1.421 62.829 61.300 0.180 0.000 1.445 227 I CB -0.579 37.542 38.000 0.201 0.000 1.086 227 I HN 0.833 nan 8.210 nan 0.000 0.433 228 E N -0.106 120.115 120.200 0.036 0.000 2.072 228 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 228 E C 1.639 178.325 176.600 0.144 0.000 0.982 228 E CA 1.239 57.654 56.400 0.025 0.000 0.803 228 E CB -0.071 29.523 29.700 -0.177 0.000 0.755 228 E HN 0.452 nan 8.360 nan 0.000 0.453 229 D N 0.132 120.595 120.400 0.105 0.000 2.144 229 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 229 D C 1.798 178.215 176.300 0.194 0.000 0.978 229 D CA 0.903 54.963 54.000 0.101 0.000 0.833 229 D CB 0.010 40.807 40.800 -0.005 0.000 0.961 229 D HN 0.070 nan 8.370 nan 0.000 0.470 230 M N 0.404 120.134 119.600 0.216 0.000 2.175 230 M HA 0.008 4.487 4.480 -0.000 0.000 0.264 230 M C 2.208 178.685 176.300 0.294 0.000 1.063 230 M CA 0.680 56.163 55.300 0.305 0.000 1.119 230 M CB -1.154 31.602 32.600 0.260 0.000 1.377 230 M HN -0.022 nan 8.290 nan 0.000 0.415 231 A N -0.375 122.598 122.820 0.255 0.000 1.933 231 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 231 A C 2.415 180.072 177.584 0.121 0.000 1.175 231 A CA 1.690 53.832 52.037 0.176 0.000 0.628 231 A CB -0.637 18.492 19.000 0.216 0.000 0.814 231 A HN 0.445 nan 8.150 nan 0.000 0.444 232 R N -1.379 119.222 120.500 0.170 0.000 2.075 232 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 232 R C 2.163 178.566 176.300 0.171 0.000 1.126 232 R CA 1.432 57.612 56.100 0.133 0.000 0.963 232 R CB -0.373 30.012 30.300 0.143 0.000 0.858 232 R HN 0.849 nan 8.270 nan 0.000 0.435 233 W N 0.655 121.983 121.300 0.048 0.000 2.342 233 W HA -0.201 4.459 4.660 0.000 0.000 0.297 233 W C 1.328 177.794 176.519 -0.089 0.000 1.213 233 W CA 1.102 58.476 57.345 0.048 0.000 1.251 233 W CB 0.010 29.571 29.460 0.169 0.000 1.136 233 W HN -0.043 nan 8.180 nan 0.000 0.526 234 V N 1.371 121.229 119.914 -0.094 0.000 2.307 234 V HA -0.336 3.784 4.120 -0.000 0.000 0.245 234 V C 2.418 178.164 176.094 -0.580 0.000 1.045 234 V CA 2.296 64.312 62.300 -0.473 0.000 1.024 234 V CB -1.025 30.636 31.823 -0.270 0.000 0.651 234 V HN 0.215 nan 8.190 nan 0.000 0.449 235 Q N -0.162 119.457 119.800 -0.302 0.000 2.096 235 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 235 Q C 2.478 178.297 176.000 -0.301 0.000 0.982 235 Q CA 2.017 57.661 55.803 -0.264 0.000 0.850 235 Q CB -0.309 28.349 28.738 -0.133 0.000 0.901 235 Q HN 0.598 nan 8.270 nan 0.000 0.422 236 S N 0.912 116.452 115.700 -0.265 0.000 2.383 236 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 236 S C 1.536 175.887 174.600 -0.414 0.000 1.030 236 S CA 1.082 59.130 58.200 -0.253 0.000 1.002 236 S CB -0.199 62.923 63.200 -0.129 0.000 0.829 236 S HN 0.381 nan 8.310 nan 0.000 0.467 237 N N 0.978 119.264 118.700 -0.691 0.000 2.376 237 N HA 0.142 4.882 4.740 -0.000 0.000 0.177 237 N C 1.626 176.714 175.510 -0.703 0.000 1.024 237 N CA 0.396 52.970 53.050 -0.793 0.000 0.893 237 N CB -0.136 37.645 38.487 -1.177 0.000 0.980 237 N HN 0.328 nan 8.380 nan 0.000 0.439 238 L N 0.717 121.489 121.223 -0.753 0.000 2.005 238 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 238 L C 0.571 177.288 176.870 -0.255 0.000 1.072 238 L CA 1.250 55.812 54.840 -0.464 0.000 0.744 238 L CB 0.027 41.839 42.059 -0.412 0.000 0.895 238 L HN -0.064 nan 8.230 nan 0.000 0.433 239 K N -0.141 120.116 120.400 -0.239 0.000 2.562 239 K HA 0.204 4.524 4.320 -0.000 0.000 0.206 239 K C -1.883 174.628 176.600 -0.149 0.000 1.033 239 K CA -1.315 54.874 56.287 -0.162 0.000 1.029 239 K CB 1.453 33.873 32.500 -0.133 0.000 1.393 239 K HN -0.052 nan 8.250 nan 0.000 0.539 240 P HA -0.107 nan 4.420 nan 0.000 0.230 240 P C 0.965 178.220 177.300 -0.075 0.000 1.158 240 P CA 0.695 63.727 63.100 -0.113 0.000 0.769 240 P CB 0.344 31.981 31.700 -0.105 0.000 0.807 241 L N -0.103 121.077 121.223 -0.072 0.000 2.201 241 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 241 L C 1.602 178.443 176.870 -0.049 0.000 1.105 241 L CA 1.209 56.016 54.840 -0.055 0.000 0.775 241 L CB -0.868 41.158 42.059 -0.054 0.000 0.913 241 L HN -0.100 nan 8.230 nan 0.000 0.440 242 D N 0.257 120.623 120.400 -0.058 0.000 2.371 242 D HA 0.105 4.745 4.640 -0.000 0.000 0.234 242 D C 0.575 176.852 176.300 -0.038 0.000 1.049 242 D CA 0.597 54.568 54.000 -0.049 0.000 0.907 242 D CB 0.011 40.776 40.800 -0.058 0.000 0.891 242 D HN 0.258 nan 8.370 nan 0.000 0.531 243 I N 1.565 122.113 120.570 -0.036 0.000 2.312 243 I HA 0.062 4.232 4.170 -0.000 0.000 0.291 243 I C 1.386 177.494 176.117 -0.015 0.000 1.031 243 I CA -0.501 60.786 61.300 -0.021 0.000 1.293 243 I CB 1.072 39.062 38.000 -0.017 0.000 1.403 243 I HN -0.180 nan 8.210 nan 0.000 0.484 244 N N 4.654 123.348 118.700 -0.011 0.000 2.061 244 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 244 N C 0.202 175.708 175.510 -0.007 0.000 1.030 244 N CA 1.307 54.351 53.050 -0.010 0.000 0.856 244 N CB -0.065 38.417 38.487 -0.009 0.000 1.023 244 N HN 0.583 nan 8.380 nan 0.000 0.424 245 E N 1.146 121.344 120.200 -0.002 0.000 2.159 245 E HA 0.136 4.486 4.350 -0.000 0.000 0.272 245 E C 1.197 177.797 176.600 0.000 0.000 1.138 245 E CA 0.072 56.471 56.400 -0.001 0.000 0.915 245 E CB 0.547 30.249 29.700 0.003 0.000 1.028 245 E HN 0.263 nan 8.360 nan 0.000 0.423 246 K N 2.539 122.937 120.400 -0.003 0.000 2.034 246 K HA -0.255 4.065 4.320 -0.000 0.000 0.214 246 K C 2.041 178.643 176.600 0.003 0.000 1.051 246 K CA 2.580 58.865 56.287 -0.002 0.000 0.931 246 K CB -1.705 30.793 32.500 -0.004 0.000 0.715 246 K HN 0.689 nan 8.250 nan 0.000 0.446 247 T N -0.781 113.775 114.554 0.005 0.000 2.777 247 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 247 T C 2.014 176.727 174.700 0.021 0.000 1.040 247 T CA 1.284 63.390 62.100 0.011 0.000 1.141 247 T CB -0.264 68.607 68.868 0.005 0.000 0.868 247 T HN 0.239 nan 8.240 nan 0.000 0.444 248 L N 1.338 122.575 121.223 0.023 0.000 2.093 248 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 248 L C 2.786 179.678 176.870 0.037 0.000 1.085 248 L CA 1.782 56.648 54.840 0.043 0.000 0.755 248 L CB -1.070 41.019 42.059 0.051 0.000 0.904 248 L HN 0.394 nan 8.230 nan 0.000 0.435 249 Q N -1.034 118.776 119.800 0.016 0.000 2.096 249 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 249 Q C 2.178 178.179 176.000 0.003 0.000 0.982 249 Q CA 2.160 57.962 55.803 -0.001 0.000 0.850 249 Q CB -0.105 28.628 28.738 -0.010 0.000 0.901 249 Q HN 0.674 nan 8.270 nan 0.000 0.422 250 Q N -0.728 119.080 119.800 0.013 0.000 2.046 250 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 250 Q C 2.117 178.142 176.000 0.042 0.000 0.975 250 Q CA 1.154 56.969 55.803 0.020 0.000 0.836 250 Q CB -0.321 28.430 28.738 0.022 0.000 0.896 250 Q HN 0.573 nan 8.270 nan 0.000 0.428 251 G N 1.479 110.313 108.800 0.057 0.000 2.476 251 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 251 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 251 G C 1.428 176.393 174.900 0.107 0.000 1.164 251 G CA 0.893 46.049 45.100 0.092 0.000 0.768 251 G HN 0.241 nan 8.290 nan 0.000 0.560 252 I N 0.143 120.756 120.570 0.072 0.000 2.208 252 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 252 I C 2.985 179.121 176.117 0.031 0.000 1.097 252 I CA 1.358 62.682 61.300 0.041 0.000 1.363 252 I CB -0.341 37.628 38.000 -0.051 0.000 1.051 252 I HN 0.284 nan 8.210 nan 0.000 0.413 253 Q N 0.373 120.182 119.800 0.015 0.000 2.167 253 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 253 Q C 2.356 178.377 176.000 0.035 0.000 0.970 253 Q CA 1.110 56.914 55.803 0.001 0.000 0.855 253 Q CB 0.048 28.777 28.738 -0.016 0.000 0.911 253 Q HN 0.532 nan 8.270 nan 0.000 0.438 254 L N -0.273 120.998 121.223 0.080 0.000 2.109 254 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 254 L C 2.358 179.366 176.870 0.230 0.000 1.086 254 L CA 0.738 55.659 54.840 0.135 0.000 0.760 254 L CB -0.454 41.697 42.059 0.154 0.000 0.910 254 L HN 0.177 nan 8.230 nan 0.000 0.437 255 A N -0.707 122.255 122.820 0.237 0.000 2.121 255 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 255 A C 2.056 179.852 177.584 0.353 0.000 1.154 255 A CA 1.202 53.439 52.037 0.333 0.000 0.679 255 A CB -0.259 18.977 19.000 0.392 0.000 0.795 255 A HN 0.503 nan 8.150 nan 0.000 0.458 256 Q N -0.150 119.766 119.800 0.193 0.000 2.282 256 Q HA 0.180 4.520 4.340 -0.000 0.000 0.206 256 Q C -0.090 175.911 176.000 0.001 0.000 0.878 256 Q CA -0.307 55.552 55.803 0.094 0.000 0.944 256 Q CB 0.422 29.143 28.738 -0.029 0.000 1.100 256 Q HN 0.497 nan 8.270 nan 0.000 0.509 257 S N 1.078 116.747 115.700 -0.052 0.000 2.579 257 S HA 0.176 4.646 4.470 -0.000 0.000 0.275 257 S C 0.106 174.462 174.600 -0.407 0.000 1.345 257 S CA -0.055 57.956 58.200 -0.316 0.000 1.031 257 S CB 0.524 63.395 63.200 -0.548 0.000 0.892 257 S HN 0.228 nan 8.310 nan 0.000 0.529 258 R N 1.727 121.983 120.500 -0.408 0.000 2.204 258 R HA 0.221 4.561 4.340 -0.000 0.000 0.341 258 R C -0.271 175.841 176.300 -0.314 0.000 1.035 258 R CA -0.128 55.844 56.100 -0.214 0.000 0.887 258 R CB 0.356 30.515 30.300 -0.234 0.000 1.114 258 R HN 0.695 nan 8.270 nan 0.000 0.473 259 Y N 0.780 121.076 120.300 -0.007 0.000 2.389 259 Y HA 0.090 4.640 4.550 -0.000 0.000 0.292 259 Y C 0.291 175.937 175.900 -0.424 0.000 1.117 259 Y CA 0.540 58.482 58.100 -0.263 0.000 1.195 259 Y CB 0.419 38.709 38.460 -0.283 0.000 1.076 259 Y HN 0.460 nan 8.280 nan 0.000 0.548 260 W N -0.427 121.045 121.300 0.286 0.000 3.031 260 W HA 0.573 5.233 4.660 0.000 0.000 0.337 260 W C -0.844 175.794 176.519 0.198 0.000 1.187 260 W CA -1.004 56.465 57.345 0.207 0.000 1.166 260 W CB 1.152 30.713 29.460 0.169 0.000 1.437 260 W HN -0.448 nan 8.180 nan 0.000 0.551 261 Q N 1.167 121.189 119.800 0.371 0.000 2.372 261 Q HA 0.671 5.011 4.340 -0.000 0.000 0.273 261 Q C -1.320 174.707 176.000 0.045 0.000 1.078 261 Q CA -0.545 55.305 55.803 0.078 0.000 0.806 261 Q CB 2.585 31.306 28.738 -0.028 0.000 1.332 261 Q HN 0.455 nan 8.270 nan 0.000 0.435 262 T N 2.072 116.591 114.554 -0.057 0.000 3.109 262 T HA 0.613 4.963 4.350 -0.000 0.000 0.311 262 T C 0.301 174.942 174.700 -0.097 0.000 1.011 262 T CA 0.733 62.805 62.100 -0.047 0.000 1.026 262 T CB 0.767 69.624 68.868 -0.018 0.000 1.047 262 T HN 1.154 nan 8.240 nan 0.000 0.448 263 G N 5.212 113.957 108.800 -0.092 0.000 2.574 263 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.286 263 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.286 263 G C 0.102 174.909 174.900 -0.154 0.000 1.212 263 G CA 0.727 45.768 45.100 -0.098 0.000 0.979 263 G HN 1.192 nan 8.290 nan 0.000 0.557 264 D N -0.016 120.299 120.400 -0.143 0.000 2.491 264 D HA 0.395 5.035 4.640 -0.000 0.000 0.228 264 D C 0.837 177.016 176.300 -0.203 0.000 1.183 264 D CA 0.123 54.023 54.000 -0.167 0.000 0.827 264 D CB 0.115 40.861 40.800 -0.090 0.000 0.989 264 D HN 0.588 nan 8.370 nan 0.000 0.494 265 M N 0.711 120.156 119.600 -0.258 0.000 2.528 265 M HA 0.461 4.941 4.480 -0.000 0.000 0.321 265 M C -1.813 174.311 176.300 -0.293 0.000 1.153 265 M CA -0.713 54.507 55.300 -0.134 0.000 0.951 265 M CB 2.092 34.709 32.600 0.028 0.000 1.705 265 M HN -0.137 nan 8.290 nan 0.000 0.451 266 Y N 1.406 121.811 120.300 0.174 0.000 2.446 266 Y HA 0.410 4.960 4.550 -0.000 0.000 0.345 266 Y C -0.417 175.640 175.900 0.261 0.000 0.984 266 Y CA -0.692 57.525 58.100 0.194 0.000 1.058 266 Y CB 1.741 40.281 38.460 0.134 0.000 1.220 266 Y HN 0.563 nan 8.280 nan 0.000 0.455 267 Q N 1.780 121.860 119.800 0.467 0.000 2.303 267 Q HA 0.589 4.929 4.340 -0.000 0.000 0.257 267 Q C -0.137 176.161 176.000 0.497 0.000 0.941 267 Q CA -0.262 55.819 55.803 0.464 0.000 0.931 267 Q CB 1.249 30.279 28.738 0.486 0.000 1.215 267 Q HN 0.892 nan 8.270 nan 0.000 0.437 268 G N 2.659 111.725 108.800 0.443 0.000 2.828 268 G HA2 0.498 4.458 3.960 -0.000 0.000 0.244 268 G HA3 0.498 4.458 3.960 -0.000 0.000 0.244 268 G C -0.948 174.142 174.900 0.317 0.000 1.365 268 G CA -0.867 44.521 45.100 0.480 0.000 1.041 268 G HN 0.599 nan 8.290 nan 0.000 0.560 269 L N 1.382 122.769 121.223 0.274 0.000 2.302 269 L HA 0.421 4.761 4.340 -0.000 0.000 0.285 269 L C 1.417 178.349 176.870 0.104 0.000 1.090 269 L CA 0.584 55.449 54.840 0.041 0.000 0.866 269 L CB 0.239 42.323 42.059 0.043 0.000 1.244 269 L HN 1.069 nan 8.230 nan 0.000 0.435 270 G N 2.192 111.021 108.800 0.048 0.000 3.909 270 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 270 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 270 G C -0.029 174.909 174.900 0.063 0.000 1.404 270 G CA -0.267 44.848 45.100 0.024 0.000 0.905 270 G HN 0.499 nan 8.290 nan 0.000 0.589 271 W N 2.297 123.732 121.300 0.225 0.000 2.137 271 W HA 0.591 5.251 4.660 -0.000 0.000 0.344 271 W C 0.786 177.458 176.519 0.255 0.000 1.286 271 W CA -0.149 57.327 57.345 0.218 0.000 1.240 271 W CB 0.432 29.985 29.460 0.155 0.000 1.141 271 W HN 0.312 nan 8.180 nan 0.000 0.579 272 E N 1.528 122.093 120.200 0.609 0.000 2.238 272 E HA 0.494 4.844 4.350 -0.000 0.000 0.267 272 E C -0.866 176.025 176.600 0.485 0.000 0.887 272 E CA -1.104 55.610 56.400 0.524 0.000 0.769 272 E CB 1.693 31.704 29.700 0.519 0.000 1.187 272 E HN 0.150 nan 8.360 nan 0.000 0.416 273 M N 2.116 121.946 119.600 0.383 0.000 2.591 273 M HA 0.514 4.994 4.480 -0.000 0.000 0.306 273 M C -1.425 175.087 176.300 0.355 0.000 1.190 273 M CA -0.462 55.007 55.300 0.282 0.000 0.889 273 M CB 1.593 34.301 32.600 0.180 0.000 1.728 273 M HN 0.299 nan 8.290 nan 0.000 0.458 274 L N 0.577 121.978 121.223 0.296 0.000 2.445 274 L HA 0.498 4.838 4.340 -0.000 0.000 0.262 274 L C -0.807 176.233 176.870 0.284 0.000 0.974 274 L CA -0.637 54.381 54.840 0.296 0.000 0.822 274 L CB 1.997 44.141 42.059 0.142 0.000 1.339 274 L HN 0.546 nan 8.230 nan 0.000 0.409 275 D N 1.336 121.901 120.400 0.275 0.000 2.455 275 D HA -0.029 4.611 4.640 -0.000 0.000 0.241 275 D C -0.924 175.513 176.300 0.227 0.000 1.138 275 D CA 0.280 54.405 54.000 0.208 0.000 0.877 275 D CB 1.112 42.008 40.800 0.161 0.000 1.187 275 D HN 0.355 nan 8.370 nan 0.000 0.451 276 W N 4.970 126.331 121.300 0.102 0.000 2.496 276 W HA 0.311 4.971 4.660 -0.000 0.000 0.327 276 W C -2.295 174.280 176.519 0.093 0.000 1.086 276 W CA -1.868 55.556 57.345 0.132 0.000 1.222 276 W CB 0.979 30.535 29.460 0.160 0.000 1.304 276 W HN 0.243 nan 8.180 nan 0.000 0.547 277 P HA 0.100 nan 4.420 nan 0.000 0.269 277 P C -1.020 175.934 177.300 -0.578 0.000 1.209 277 P CA -0.025 62.271 63.100 -1.339 0.000 0.776 277 P CB 2.143 33.320 31.700 -0.872 0.000 0.876 278 V N 2.273 121.871 119.914 -0.526 0.000 2.769 278 V HA 0.296 4.416 4.120 -0.000 0.000 0.312 278 V C 0.051 175.878 176.094 -0.444 0.000 1.058 278 V CA -1.054 61.062 62.300 -0.308 0.000 0.952 278 V CB 1.666 33.360 31.823 -0.216 0.000 1.019 278 V HN 0.637 nan 8.190 nan 0.000 0.445 279 N N 5.591 124.058 118.700 -0.389 0.000 2.405 279 N HA 0.258 4.998 4.740 -0.000 0.000 0.260 279 N C -1.872 173.270 175.510 -0.613 0.000 1.152 279 N CA -1.440 51.356 53.050 -0.424 0.000 0.948 279 N CB 1.670 39.989 38.487 -0.281 0.000 1.111 279 N HN 0.385 nan 8.380 nan 0.000 0.485 280 P HA -0.146 nan 4.420 nan 0.000 0.215 280 P C 0.601 177.518 177.300 -0.640 0.000 1.163 280 P CA 1.246 63.646 63.100 -1.167 0.000 0.894 280 P CB 0.356 31.199 31.700 -1.429 0.000 0.791 281 D N -1.221 118.910 120.400 -0.447 0.000 2.178 281 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 281 D C 2.098 178.255 176.300 -0.238 0.000 0.980 281 D CA 1.236 55.066 54.000 -0.284 0.000 0.842 281 D CB -0.666 40.007 40.800 -0.211 0.000 0.948 281 D HN 0.136 nan 8.370 nan 0.000 0.472 282 S N 0.497 116.042 115.700 -0.259 0.000 2.368 282 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 282 S C 2.156 176.653 174.600 -0.172 0.000 1.030 282 S CA 0.985 59.068 58.200 -0.195 0.000 0.999 282 S CB -0.209 62.875 63.200 -0.193 0.000 0.844 282 S HN 0.405 nan 8.310 nan 0.000 0.459 283 I N -1.294 119.131 120.570 -0.243 0.000 2.716 283 I HA 0.089 4.259 4.170 -0.000 0.000 0.259 283 I C 2.066 178.126 176.117 -0.096 0.000 1.172 283 I CA 0.799 62.013 61.300 -0.143 0.000 1.478 283 I CB -0.483 37.353 38.000 -0.273 0.000 1.104 283 I HN 0.228 nan 8.210 nan 0.000 0.439 284 I N 2.183 122.650 120.570 -0.172 0.000 2.193 284 I HA -0.204 3.966 4.170 -0.000 0.000 0.240 284 I C 2.140 178.196 176.117 -0.102 0.000 1.084 284 I CA 1.873 63.095 61.300 -0.130 0.000 1.365 284 I CB -0.639 37.269 38.000 -0.153 0.000 1.064 284 I HN 0.271 nan 8.210 nan 0.000 0.410 285 N N 0.642 119.277 118.700 -0.108 0.000 2.244 285 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 285 N C 1.901 177.368 175.510 -0.071 0.000 1.016 285 N CA 0.954 53.953 53.050 -0.085 0.000 0.866 285 N CB -0.200 38.235 38.487 -0.086 0.000 0.980 285 N HN 0.374 nan 8.380 nan 0.000 0.430 286 G N 0.375 109.134 108.800 -0.068 0.000 2.484 286 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 286 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 286 G C 1.566 176.443 174.900 -0.038 0.000 1.130 286 G CA 0.849 45.922 45.100 -0.045 0.000 0.784 286 G HN 0.405 nan 8.290 nan 0.000 0.543 287 S N -0.147 115.527 115.700 -0.044 0.000 2.489 287 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 287 S C 0.861 175.406 174.600 -0.092 0.000 0.995 287 S CA 0.092 58.251 58.200 -0.068 0.000 0.934 287 S CB -0.056 63.091 63.200 -0.088 0.000 0.771 287 S HN 0.268 nan 8.310 nan 0.000 0.522 288 D N 2.186 122.539 120.400 -0.077 0.000 2.487 288 D HA 0.046 4.686 4.640 -0.000 0.000 0.243 288 D C 0.538 176.796 176.300 -0.071 0.000 1.154 288 D CA 0.140 54.098 54.000 -0.070 0.000 0.876 288 D CB 0.468 41.235 40.800 -0.055 0.000 1.161 288 D HN 0.070 nan 8.370 nan 0.000 0.478 289 N N 3.287 121.946 118.700 -0.068 0.000 2.137 289 N HA -0.236 4.504 4.740 -0.000 0.000 0.190 289 N C 1.586 177.070 175.510 -0.043 0.000 1.017 289 N CA 1.346 54.358 53.050 -0.064 0.000 0.859 289 N CB -0.226 38.236 38.487 -0.042 0.000 1.002 289 N HN 0.646 nan 8.380 nan 0.000 0.428 290 K N 0.000 120.382 120.400 -0.030 0.000 2.360 290 K HA -0.084 4.236 4.320 -0.000 0.000 0.201 290 K C 1.563 178.149 176.600 -0.023 0.000 1.046 290 K CA 1.132 57.408 56.287 -0.018 0.000 0.940 290 K CB -0.038 32.453 32.500 -0.016 0.000 0.748 290 K HN 0.249 nan 8.250 nan 0.000 0.465 291 I N 0.541 121.088 120.570 -0.039 0.000 3.132 291 I HA 0.025 4.195 4.170 -0.000 0.000 0.255 291 I C 2.477 178.562 176.117 -0.054 0.000 1.118 291 I CA 0.481 61.756 61.300 -0.042 0.000 1.463 291 I CB -0.177 37.795 38.000 -0.046 0.000 1.356 291 I HN 0.188 nan 8.210 nan 0.000 0.463 292 A N 1.160 123.930 122.820 -0.083 0.000 1.986 292 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 292 A C 2.124 179.622 177.584 -0.144 0.000 1.171 292 A CA 1.581 53.534 52.037 -0.140 0.000 0.640 292 A CB -0.752 18.122 19.000 -0.210 0.000 0.811 292 A HN 0.440 nan 8.150 nan 0.000 0.451 293 L N -1.248 119.928 121.223 -0.077 0.000 2.567 293 L HA 0.225 4.565 4.340 -0.000 0.000 0.225 293 L C 1.282 178.173 176.870 0.036 0.000 1.119 293 L CA -0.026 54.815 54.840 0.002 0.000 0.871 293 L CB -0.382 41.693 42.059 0.027 0.000 1.036 293 L HN 0.386 nan 8.230 nan 0.000 0.459 294 A N 0.748 123.574 122.820 0.010 0.000 2.351 294 A HA 0.628 4.948 4.320 -0.000 0.000 0.257 294 A C 0.425 178.013 177.584 0.006 0.000 1.087 294 A CA -0.166 51.884 52.037 0.022 0.000 0.798 294 A CB 0.424 19.425 19.000 0.002 0.000 1.033 294 A HN 0.195 nan 8.150 nan 0.000 0.488 295 A N 2.126 124.952 122.820 0.011 0.000 2.440 295 A HA 0.588 4.908 4.320 -0.000 0.000 0.251 295 A C 0.402 177.885 177.584 -0.168 0.000 1.089 295 A CA -0.140 51.833 52.037 -0.107 0.000 0.779 295 A CB 0.174 19.064 19.000 -0.182 0.000 1.022 295 A HN 0.756 nan 8.150 nan 0.000 0.492 296 R N 2.180 122.551 120.500 -0.215 0.000 2.604 296 R HA 0.451 4.791 4.340 -0.000 0.000 0.281 296 R C -3.105 173.056 176.300 -0.231 0.000 1.020 296 R CA -1.827 54.165 56.100 -0.180 0.000 0.899 296 R CB 2.322 32.561 30.300 -0.102 0.000 1.205 296 R HN 0.566 nan 8.270 nan 0.000 0.450 297 P HA 0.144 nan 4.420 nan 0.000 0.272 297 P C -0.374 176.854 177.300 -0.120 0.000 1.230 297 P CA -0.247 62.736 63.100 -0.195 0.000 0.788 297 P CB 0.970 32.583 31.700 -0.144 0.000 0.949 298 V N -1.529 118.324 119.914 -0.101 0.000 3.007 298 V HA 0.619 4.739 4.120 -0.000 0.000 0.311 298 V C -0.601 175.585 176.094 0.154 0.000 1.120 298 V CA -1.126 61.184 62.300 0.016 0.000 0.980 298 V CB 2.310 34.097 31.823 -0.059 0.000 1.033 298 V HN 0.328 nan 8.190 nan 0.000 0.429 299 K N 2.084 122.643 120.400 0.265 0.000 2.244 299 K HA 0.802 5.122 4.320 -0.000 0.000 0.260 299 K C -0.143 176.715 176.600 0.429 0.000 0.951 299 K CA -0.378 56.077 56.287 0.280 0.000 0.826 299 K CB 2.199 34.796 32.500 0.162 0.000 1.108 299 K HN 1.107 nan 8.250 nan 0.000 0.433 300 A N 3.608 126.662 122.820 0.390 0.000 2.425 300 A HA 0.273 4.593 4.320 -0.000 0.000 0.249 300 A C 0.041 177.606 177.584 -0.033 0.000 1.084 300 A CA -0.268 51.789 52.037 0.034 0.000 0.781 300 A CB -0.163 18.789 19.000 -0.081 0.000 1.019 300 A HN 0.757 nan 8.150 nan 0.000 0.490 301 I N 2.784 123.261 120.570 -0.155 0.000 2.313 301 I HA 0.158 4.328 4.170 -0.000 0.000 0.286 301 I C -0.175 175.858 176.117 -0.140 0.000 1.091 301 I CA 0.025 61.274 61.300 -0.084 0.000 1.216 301 I CB 0.817 38.782 38.000 -0.057 0.000 1.434 301 I HN 0.540 nan 8.210 nan 0.000 0.487 302 T N 6.168 120.668 114.554 -0.091 0.000 2.811 302 T HA 0.391 4.741 4.350 -0.000 0.000 0.309 302 T C -1.631 173.033 174.700 -0.059 0.000 1.005 302 T CA -0.967 61.085 62.100 -0.081 0.000 0.955 302 T CB 0.362 69.201 68.868 -0.048 0.000 0.970 302 T HN 0.428 nan 8.240 nan 0.000 0.496 303 P HA 0.526 nan 4.420 nan 0.000 0.283 303 P C -3.069 174.147 177.300 -0.140 0.000 1.278 303 P CA -2.316 60.727 63.100 -0.096 0.000 0.834 303 P CB 0.343 31.999 31.700 -0.072 0.000 1.150 304 P HA 0.013 nan 4.420 nan 0.000 0.264 304 P C -0.238 176.903 177.300 -0.264 0.000 1.179 304 P CA 0.629 63.536 63.100 -0.322 0.000 0.763 304 P CB -0.070 31.306 31.700 -0.540 0.000 0.806 305 T N 5.121 119.514 114.554 -0.268 0.000 2.832 305 T HA 0.288 4.638 4.350 -0.000 0.000 0.296 305 T C -2.151 172.411 174.700 -0.229 0.000 0.968 305 T CA -1.207 60.763 62.100 -0.216 0.000 1.107 305 T CB 0.127 68.861 68.868 -0.224 0.000 0.916 305 T HN 0.250 nan 8.240 nan 0.000 0.517 306 P HA 0.207 nan 4.420 nan 0.000 0.269 306 P C -0.549 176.666 177.300 -0.142 0.000 1.215 306 P CA -0.408 62.606 63.100 -0.144 0.000 0.780 306 P CB 0.305 31.945 31.700 -0.101 0.000 0.898 307 A N 2.741 125.489 122.820 -0.120 0.000 2.583 307 A HA 0.021 4.341 4.320 -0.000 0.000 0.249 307 A C 0.172 177.693 177.584 -0.105 0.000 1.035 307 A CA 0.329 52.301 52.037 -0.108 0.000 0.777 307 A CB -0.835 18.116 19.000 -0.082 0.000 0.942 307 A HN 0.372 nan 8.150 nan 0.000 0.516 308 V N 6.353 126.197 119.914 -0.117 0.000 2.385 308 V HA 0.108 4.228 4.120 -0.000 0.000 0.269 308 V C 1.582 177.631 176.094 -0.075 0.000 1.043 308 V CA -0.312 61.929 62.300 -0.098 0.000 0.906 308 V CB 0.748 32.501 31.823 -0.117 0.000 0.995 308 V HN 1.060 nan 8.190 nan 0.000 0.467 309 R N 3.709 124.173 120.500 -0.060 0.000 2.103 309 R HA -0.110 4.230 4.340 -0.000 0.000 0.242 309 R C 1.301 177.577 176.300 -0.040 0.000 1.142 309 R CA 1.561 57.627 56.100 -0.056 0.000 0.960 309 R CB -0.136 30.134 30.300 -0.050 0.000 0.858 309 R HN 0.734 nan 8.270 nan 0.000 0.439 310 A N 1.773 124.597 122.820 0.007 0.000 3.037 310 A HA 0.261 4.581 4.320 -0.000 0.000 0.272 310 A C -0.553 177.118 177.584 0.145 0.000 1.723 310 A CA 0.095 52.187 52.037 0.091 0.000 1.413 310 A CB 0.087 19.172 19.000 0.141 0.000 1.112 310 A HN 0.079 nan 8.150 nan 0.000 0.606 311 S N 0.752 116.502 115.700 0.083 0.000 2.569 311 S HA 0.539 5.009 4.470 -0.000 0.000 0.280 311 S C -1.102 173.560 174.600 0.102 0.000 1.111 311 S CA -0.583 57.686 58.200 0.116 0.000 0.887 311 S CB 1.256 64.443 63.200 -0.021 0.000 1.095 311 S HN 0.703 nan 8.310 nan 0.000 0.476 312 W N 3.930 125.249 121.300 0.031 0.000 2.291 312 W HA 0.589 5.249 4.660 -0.000 0.000 0.312 312 W C -1.902 174.472 176.519 -0.242 0.000 1.061 312 W CA -0.548 56.771 57.345 -0.043 0.000 1.296 312 W CB 0.569 30.116 29.460 0.144 0.000 1.223 312 W HN 0.355 nan 8.180 nan 0.000 0.421 313 V N 7.721 127.203 119.914 -0.721 0.000 2.459 313 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 313 V C 0.046 175.767 176.094 -0.622 0.000 1.029 313 V CA -0.350 61.514 62.300 -0.726 0.000 0.874 313 V CB 1.279 32.231 31.823 -1.451 0.000 0.985 313 V HN 0.708 nan 8.190 nan 0.000 0.438 314 H N 2.572 121.618 119.070 -0.042 0.000 2.905 314 H HA 0.907 5.463 4.556 -0.000 0.000 0.280 314 H C -1.310 174.307 175.328 0.483 0.000 1.445 314 H CA -1.322 54.829 56.048 0.172 0.000 1.165 314 H CB 2.118 32.017 29.762 0.228 0.000 1.857 314 H HN 0.424 nan 8.280 nan 0.000 0.567 315 K N 1.104 121.653 120.400 0.247 0.000 2.584 315 K HA 0.221 4.541 4.320 -0.000 0.000 0.260 315 K C -1.388 175.347 176.600 0.224 0.000 0.949 315 K CA 0.118 56.489 56.287 0.141 0.000 0.888 315 K CB 1.805 34.361 32.500 0.092 0.000 1.330 315 K HN 0.949 nan 8.250 nan 0.000 0.432 316 T N -0.034 114.647 114.554 0.213 0.000 2.902 316 T HA 0.890 5.240 4.350 -0.000 0.000 0.280 316 T C 0.352 175.163 174.700 0.184 0.000 0.992 316 T CA -0.344 61.917 62.100 0.268 0.000 1.015 316 T CB 1.634 70.551 68.868 0.081 0.000 1.044 316 T HN 0.702 nan 8.240 nan 0.000 0.520 317 G N -0.913 107.997 108.800 0.184 0.000 2.732 317 G HA2 0.735 4.695 3.960 -0.000 0.000 0.296 317 G HA3 0.735 4.695 3.960 -0.000 0.000 0.296 317 G C -1.550 173.457 174.900 0.177 0.000 1.448 317 G CA -0.477 44.738 45.100 0.191 0.000 0.911 317 G HN 1.175 nan 8.290 nan 0.000 0.528 318 A N 0.299 123.223 122.820 0.173 0.000 2.608 318 A HA 0.992 5.312 4.320 -0.000 0.000 0.292 318 A C -0.077 177.595 177.584 0.147 0.000 1.066 318 A CA 0.188 52.328 52.037 0.172 0.000 0.676 318 A CB 1.541 20.611 19.000 0.116 0.000 1.277 318 A HN 2.013 nan 8.150 nan 0.000 0.413 319 T N -2.218 112.455 114.554 0.199 0.000 2.669 319 T HA 0.646 4.996 4.350 -0.000 0.000 0.283 319 T C 1.335 176.138 174.700 0.172 0.000 1.019 319 T CA 0.170 62.358 62.100 0.148 0.000 1.039 319 T CB 0.867 69.878 68.868 0.239 0.000 1.374 319 T HN 1.686 nan 8.240 nan 0.000 0.523 320 G N -0.208 108.681 108.800 0.149 0.000 2.440 320 G HA2 0.144 4.104 3.960 -0.000 0.000 0.218 320 G HA3 0.144 4.104 3.960 -0.000 0.000 0.218 320 G C 1.187 176.176 174.900 0.149 0.000 1.154 320 G CA 0.759 45.935 45.100 0.127 0.000 0.767 320 G HN 1.171 nan 8.290 nan 0.000 0.552 321 G N -1.392 107.535 108.800 0.212 0.000 3.192 321 G HA2 0.470 4.430 3.960 -0.000 0.000 0.239 321 G HA3 0.470 4.430 3.960 -0.000 0.000 0.239 321 G C -0.220 174.662 174.900 -0.030 0.000 1.084 321 G CA -0.477 44.657 45.100 0.056 0.000 0.784 321 G HN 0.215 nan 8.290 nan 0.000 0.540 322 F N -0.294 119.796 119.950 0.234 0.000 2.598 322 F HA 0.750 5.277 4.527 -0.000 0.000 0.327 322 F C 0.452 176.407 175.800 0.258 0.000 1.057 322 F CA -1.087 57.091 58.000 0.296 0.000 0.957 322 F CB 2.404 41.601 39.000 0.329 0.000 1.278 322 F HN -0.005 nan 8.300 nan 0.000 0.484 323 G N 0.469 109.581 108.800 0.521 0.000 2.719 323 G HA2 0.538 4.498 3.960 -0.000 0.000 0.284 323 G HA3 0.538 4.498 3.960 -0.000 0.000 0.284 323 G C -1.606 173.501 174.900 0.344 0.000 1.488 323 G CA -0.679 44.616 45.100 0.325 0.000 1.139 323 G HN 0.769 nan 8.290 nan 0.000 0.552 324 S N 0.928 116.791 115.700 0.271 0.000 2.667 324 S HA 0.882 5.351 4.470 -0.000 0.000 0.292 324 S C -1.458 173.346 174.600 0.340 0.000 1.126 324 S CA -1.043 57.332 58.200 0.291 0.000 0.881 324 S CB 2.563 65.920 63.200 0.261 0.000 1.132 324 S HN 1.249 nan 8.310 nan 0.000 0.492 325 Y N -0.231 120.183 120.300 0.191 0.000 2.480 325 Y HA 0.625 5.175 4.550 -0.000 0.000 0.329 325 Y C -2.023 174.034 175.900 0.262 0.000 1.127 325 Y CA -0.865 57.360 58.100 0.208 0.000 1.037 325 Y CB 1.534 40.114 38.460 0.201 0.000 1.320 325 Y HN 0.781 nan 8.280 nan 0.000 0.446 326 V N 4.285 124.012 119.914 -0.310 0.000 2.760 326 V HA 0.991 5.111 4.120 -0.000 0.000 0.309 326 V C -0.914 174.958 176.094 -0.369 0.000 1.077 326 V CA -0.223 62.002 62.300 -0.124 0.000 0.910 326 V CB 1.544 33.555 31.823 0.313 0.000 1.008 326 V HN 1.046 nan 8.190 nan 0.000 0.424 327 A N 4.501 127.154 122.820 -0.279 0.000 2.589 327 A HA 1.021 5.341 4.320 -0.000 0.000 0.296 327 A C -1.374 175.974 177.584 -0.393 0.000 1.062 327 A CA -0.519 51.229 52.037 -0.481 0.000 0.686 327 A CB 1.819 20.431 19.000 -0.646 0.000 1.282 327 A HN 1.623 nan 8.150 nan 0.000 0.404 328 F N -0.776 118.721 119.950 -0.756 0.000 2.719 328 F HA 0.801 5.328 4.527 -0.000 0.000 0.309 328 F C -1.576 173.870 175.800 -0.591 0.000 1.138 328 F CA -1.166 56.463 58.000 -0.618 0.000 0.943 328 F CB 1.177 39.890 39.000 -0.479 0.000 1.304 328 F HN 0.333 nan 8.300 nan 0.000 0.445 329 I N 2.333 122.714 120.570 -0.315 0.000 2.495 329 I HA 0.325 4.494 4.170 -0.000 0.000 0.277 329 I C -2.172 173.831 176.117 -0.190 0.000 1.045 329 I CA -1.895 59.193 61.300 -0.354 0.000 1.135 329 I CB 1.645 39.298 38.000 -0.578 0.000 1.241 329 I HN 0.373 nan 8.210 nan 0.000 0.469 330 P HA -0.250 nan 4.420 nan 0.000 0.216 330 P C 1.456 178.687 177.300 -0.114 0.000 1.157 330 P CA 1.364 64.424 63.100 -0.067 0.000 0.880 330 P CB 0.302 31.970 31.700 -0.052 0.000 0.791 331 E N -0.278 119.847 120.200 -0.125 0.000 2.171 331 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 331 E C 1.107 177.627 176.600 -0.133 0.000 0.997 331 E CA 1.098 57.433 56.400 -0.109 0.000 0.810 331 E CB -0.072 29.580 29.700 -0.080 0.000 0.738 331 E HN 0.129 nan 8.360 nan 0.000 0.467 332 K N 0.114 120.398 120.400 -0.193 0.000 2.358 332 K HA 0.052 4.372 4.320 -0.000 0.000 0.197 332 K C -0.202 176.293 176.600 -0.175 0.000 1.025 332 K CA 0.163 56.334 56.287 -0.193 0.000 1.104 332 K CB 0.556 32.889 32.500 -0.278 0.000 0.855 332 K HN 0.160 nan 8.250 nan 0.000 0.531 333 E N 0.859 120.964 120.200 -0.159 0.000 2.360 333 E HA -0.227 4.123 4.350 -0.000 0.000 0.238 333 E C -0.746 175.768 176.600 -0.143 0.000 1.186 333 E CA 0.261 56.569 56.400 -0.152 0.000 0.719 333 E CB -1.387 28.220 29.700 -0.155 0.000 1.236 333 E HN 0.082 nan 8.360 nan 0.000 0.386 334 L N -0.444 120.696 121.223 -0.139 0.000 2.408 334 L HA 0.804 5.144 4.340 -0.000 0.000 0.268 334 L C 0.092 176.900 176.870 -0.104 0.000 0.986 334 L CA 0.217 54.996 54.840 -0.102 0.000 0.820 334 L CB 2.112 44.096 42.059 -0.125 0.000 1.303 334 L HN 0.068 nan 8.230 nan 0.000 0.411 335 G N 3.918 112.682 108.800 -0.060 0.000 2.608 335 G HA2 0.620 4.580 3.960 -0.000 0.000 0.291 335 G HA3 0.620 4.580 3.960 -0.000 0.000 0.291 335 G C -2.228 172.667 174.900 -0.009 0.000 1.425 335 G CA -0.401 44.667 45.100 -0.053 0.000 0.787 335 G HN 0.824 nan 8.290 nan 0.000 0.484 336 I N -0.525 120.049 120.570 0.005 0.000 2.841 336 I HA 0.651 4.821 4.170 -0.000 0.000 0.298 336 I C -1.484 174.696 176.117 0.104 0.000 1.304 336 I CA -0.963 60.384 61.300 0.078 0.000 1.019 336 I CB 2.278 40.351 38.000 0.122 0.000 1.282 336 I HN 0.413 nan 8.210 nan 0.000 0.432 337 V N 7.243 127.252 119.914 0.158 0.000 2.531 337 V HA 0.525 4.645 4.120 -0.000 0.000 0.301 337 V C -0.495 175.732 176.094 0.221 0.000 1.034 337 V CA -0.410 62.000 62.300 0.184 0.000 0.865 337 V CB 1.821 33.760 31.823 0.192 0.000 0.995 337 V HN 0.642 nan 8.190 nan 0.000 0.424 338 M N 6.327 126.075 119.600 0.246 0.000 2.093 338 M HA 0.594 5.074 4.480 -0.000 0.000 0.297 338 M C -1.355 175.064 176.300 0.198 0.000 0.938 338 M CA -0.140 55.319 55.300 0.265 0.000 0.920 338 M CB 1.714 34.533 32.600 0.366 0.000 1.517 338 M HN 0.398 nan 8.290 nan 0.000 0.427 339 L N 3.017 124.252 121.223 0.020 0.000 2.325 339 L HA 0.963 5.303 4.340 -0.000 0.000 0.281 339 L C -0.355 176.416 176.870 -0.165 0.000 1.004 339 L CA -0.638 54.067 54.840 -0.224 0.000 0.823 339 L CB 1.705 43.255 42.059 -0.848 0.000 1.236 339 L HN 0.759 nan 8.230 nan 0.000 0.415 340 A N 2.066 125.068 122.820 0.304 0.000 2.435 340 A HA 0.627 4.947 4.320 -0.000 0.000 0.304 340 A C -0.472 177.541 177.584 0.715 0.000 1.064 340 A CA -0.771 51.576 52.037 0.517 0.000 0.727 340 A CB 1.240 20.498 19.000 0.429 0.000 1.284 340 A HN 0.745 nan 8.150 nan 0.000 0.415 341 N N 1.301 120.341 118.700 0.568 0.000 2.994 341 N HA 0.219 4.959 4.740 -0.000 0.000 0.306 341 N C -0.596 174.954 175.510 0.066 0.000 1.348 341 N CA -0.153 52.963 53.050 0.110 0.000 1.109 341 N CB 0.216 38.704 38.487 0.003 0.000 1.415 341 N HN 0.603 nan 8.380 nan 0.000 0.529 342 K N 0.358 120.882 120.400 0.206 0.000 2.575 342 K HA 0.156 4.476 4.320 -0.000 0.000 0.255 342 K C -1.732 175.081 176.600 0.356 0.000 0.953 342 K CA -0.610 55.810 56.287 0.222 0.000 0.840 342 K CB 1.045 33.658 32.500 0.189 0.000 1.303 342 K HN 0.032 nan 8.250 nan 0.000 0.438 343 N N 4.329 123.191 118.700 0.269 0.000 2.448 343 N HA 0.091 4.831 4.740 -0.000 0.000 0.250 343 N C -1.403 174.250 175.510 0.239 0.000 1.136 343 N CA 0.054 53.246 53.050 0.237 0.000 0.953 343 N CB -0.049 38.537 38.487 0.164 0.000 1.251 343 N HN 0.448 nan 8.380 nan 0.000 0.502 344 Y N 1.634 121.992 120.300 0.097 0.000 2.528 344 Y HA 0.717 5.267 4.550 -0.000 0.000 0.335 344 Y C -2.540 173.389 175.900 0.048 0.000 1.093 344 Y CA -3.462 54.677 58.100 0.064 0.000 1.134 344 Y CB -0.509 37.986 38.460 0.058 0.000 1.253 344 Y HN 0.291 nan 8.280 nan 0.000 0.478 345 P HA -0.106 nan 4.420 nan 0.000 0.257 345 P C 0.303 177.480 177.300 -0.205 0.000 1.144 345 P CA 0.713 63.772 63.100 -0.069 0.000 0.761 345 P CB 0.556 32.268 31.700 0.019 0.000 0.734 346 N N 5.377 123.958 118.700 -0.199 0.000 2.060 346 N HA -0.168 4.572 4.740 -0.000 0.000 0.195 346 N C -0.801 174.586 175.510 -0.204 0.000 1.028 346 N CA 1.911 54.822 53.050 -0.232 0.000 0.861 346 N CB -1.763 36.623 38.487 -0.169 0.000 1.029 346 N HN 0.436 nan 8.380 nan 0.000 0.428 347 P HA -0.137 nan 4.420 nan 0.000 0.216 347 P C 1.141 178.405 177.300 -0.060 0.000 1.157 347 P CA 1.991 65.036 63.100 -0.091 0.000 0.880 347 P CB -0.138 31.527 31.700 -0.059 0.000 0.791 348 A N -0.407 122.405 122.820 -0.013 0.000 1.972 348 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 348 A C 2.174 179.823 177.584 0.108 0.000 1.169 348 A CA 1.515 53.600 52.037 0.079 0.000 0.635 348 A CB -0.945 18.168 19.000 0.189 0.000 0.810 348 A HN 0.134 nan 8.150 nan 0.000 0.446 349 R N -0.726 119.772 120.500 -0.005 0.000 2.062 349 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 349 R C 1.960 178.198 176.300 -0.103 0.000 1.136 349 R CA 1.437 57.529 56.100 -0.012 0.000 0.948 349 R CB -0.748 29.409 30.300 -0.238 0.000 0.845 349 R HN 0.336 nan 8.270 nan 0.000 0.430 350 V N 1.918 121.647 119.914 -0.308 0.000 2.490 350 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 350 V C 1.923 178.083 176.094 0.111 0.000 1.061 350 V CA 2.163 64.341 62.300 -0.204 0.000 1.064 350 V CB -0.589 31.116 31.823 -0.197 0.000 0.670 350 V HN 0.347 nan 8.190 nan 0.000 0.461 351 D N 0.411 120.852 120.400 0.069 0.000 2.097 351 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 351 D C 2.131 178.567 176.300 0.227 0.000 0.984 351 D CA 1.493 55.571 54.000 0.130 0.000 0.826 351 D CB -0.150 40.689 40.800 0.066 0.000 0.973 351 D HN 0.348 nan 8.370 nan 0.000 0.460 352 A N 0.537 123.470 122.820 0.188 0.000 1.902 352 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 352 A C 2.406 180.147 177.584 0.262 0.000 1.181 352 A CA 2.171 54.319 52.037 0.184 0.000 0.623 352 A CB -1.183 17.907 19.000 0.149 0.000 0.818 352 A HN 0.347 nan 8.150 nan 0.000 0.443 353 A N -1.011 122.034 122.820 0.374 0.000 1.908 353 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 353 A C 2.118 180.039 177.584 0.562 0.000 1.181 353 A CA 1.492 53.834 52.037 0.509 0.000 0.627 353 A CB -0.944 18.549 19.000 0.821 0.000 0.818 353 A HN 0.899 nan 8.150 nan 0.000 0.445 354 W N 0.702 122.243 121.300 0.401 0.000 2.355 354 W HA -0.195 4.465 4.660 -0.000 0.000 0.309 354 W C 1.912 178.571 176.519 0.234 0.000 1.206 354 W CA 2.030 59.572 57.345 0.329 0.000 1.284 354 W CB -0.414 29.105 29.460 0.099 0.000 1.145 354 W HN 0.399 nan 8.180 nan 0.000 0.502 355 Q N 0.842 120.764 119.800 0.204 0.000 2.062 355 Q HA -0.245 4.095 4.340 -0.000 0.000 0.209 355 Q C 2.298 178.263 176.000 -0.059 0.000 0.996 355 Q CA 2.380 58.205 55.803 0.037 0.000 0.859 355 Q CB -1.125 27.680 28.738 0.113 0.000 0.920 355 Q HN 0.493 nan 8.270 nan 0.000 0.415 356 I N 0.379 120.964 120.570 0.025 0.000 2.090 356 I HA -0.297 3.873 4.170 -0.000 0.000 0.236 356 I C 2.481 178.577 176.117 -0.035 0.000 1.064 356 I CA 1.070 62.370 61.300 -0.001 0.000 1.324 356 I CB -0.456 37.572 38.000 0.046 0.000 1.044 356 I HN 0.137 nan 8.210 nan 0.000 0.399 357 L N 0.441 121.675 121.223 0.018 0.000 2.042 357 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 357 L C 2.294 179.094 176.870 -0.116 0.000 1.076 357 L CA 1.587 56.422 54.840 -0.009 0.000 0.749 357 L CB -0.753 41.369 42.059 0.105 0.000 0.893 357 L HN 0.351 nan 8.230 nan 0.000 0.432 358 N N 0.111 118.611 118.700 -0.333 0.000 2.381 358 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 358 N C 1.628 177.010 175.510 -0.213 0.000 1.025 358 N CA 1.148 53.925 53.050 -0.454 0.000 0.888 358 N CB 0.058 37.814 38.487 -1.218 0.000 0.965 358 N HN 0.293 nan 8.380 nan 0.000 0.438 359 A N -0.386 122.332 122.820 -0.170 0.000 2.066 359 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 359 A C 1.710 179.252 177.584 -0.069 0.000 1.157 359 A CA 0.649 52.628 52.037 -0.097 0.000 0.670 359 A CB -0.218 18.729 19.000 -0.088 0.000 0.804 359 A HN 0.339 nan 8.150 nan 0.000 0.453 360 L N -1.712 119.473 121.223 -0.063 0.000 2.640 360 L HA 0.402 4.742 4.340 -0.000 0.000 0.230 360 L C 0.993 177.901 176.870 0.063 0.000 1.123 360 L CA 0.404 55.234 54.840 -0.018 0.000 0.900 360 L CB -0.303 41.728 42.059 -0.048 0.000 1.146 360 L HN 0.559 nan 8.230 nan 0.000 0.484 361 Q N 0.000 119.817 119.800 0.028 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.833 55.803 0.050 0.000 1.022 361 Q CB 0.000 28.714 28.738 -0.040 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481