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 1xgi_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 0.000 177.410 177.584 -0.289 0.000 1.274 4 A CA 0.000 51.837 52.037 -0.334 0.000 0.836 4 A CB 0.000 18.744 19.000 -0.427 0.000 0.831 5 P HA 0.028 nan 4.420 nan 0.000 0.266 5 P C 0.800 177.984 177.300 -0.194 0.000 1.193 5 P CA -0.032 62.922 63.100 -0.243 0.000 0.770 5 P CB 0.598 32.119 31.700 -0.299 0.000 0.836 6 Q N 2.664 122.393 119.800 -0.119 0.000 2.135 6 Q HA -0.277 4.063 4.340 0.000 0.000 0.204 6 Q C 2.224 178.168 176.000 -0.093 0.000 0.981 6 Q CA 2.688 58.443 55.803 -0.081 0.000 0.856 6 Q CB -0.546 28.161 28.738 -0.051 0.000 0.902 6 Q HN 0.606 nan 8.270 nan 0.000 0.425 7 Q N 0.664 120.382 119.800 -0.137 0.000 2.096 7 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 7 Q C 2.085 177.984 176.000 -0.169 0.000 0.982 7 Q CA 1.825 57.538 55.803 -0.150 0.000 0.850 7 Q CB -0.764 27.856 28.738 -0.197 0.000 0.901 7 Q HN 0.620 nan 8.270 nan 0.000 0.422 8 I N 0.527 120.959 120.570 -0.231 0.000 2.193 8 I HA -0.221 3.949 4.170 0.000 0.000 0.240 8 I C 2.148 178.230 176.117 -0.057 0.000 1.084 8 I CA 1.110 62.301 61.300 -0.182 0.000 1.365 8 I CB -0.361 37.485 38.000 -0.258 0.000 1.064 8 I HN 0.403 nan 8.210 nan 0.000 0.410 9 N N 0.923 119.633 118.700 0.015 0.000 2.104 9 N HA -0.242 4.498 4.740 0.000 0.000 0.190 9 N C 1.503 177.051 175.510 0.064 0.000 1.024 9 N CA 1.836 54.956 53.050 0.116 0.000 0.853 9 N CB -0.515 38.023 38.487 0.086 0.000 1.008 9 N HN 0.401 nan 8.380 nan 0.000 0.424 10 D N 0.653 121.067 120.400 0.023 0.000 2.084 10 D HA -0.097 4.543 4.640 0.000 0.000 0.194 10 D C 1.898 178.217 176.300 0.032 0.000 0.990 10 D CA 0.529 54.556 54.000 0.045 0.000 0.826 10 D CB -0.187 40.619 40.800 0.010 0.000 0.971 10 D HN 0.073 nan 8.370 nan 0.000 0.453 11 I N -0.165 120.391 120.570 -0.023 0.000 2.315 11 I HA -0.157 4.013 4.170 0.000 0.000 0.248 11 I C 2.100 178.193 176.117 -0.040 0.000 1.117 11 I CA 0.858 62.136 61.300 -0.037 0.000 1.404 11 I CB -0.208 37.754 38.000 -0.063 0.000 1.071 11 I HN -0.013 nan 8.210 nan 0.000 0.419 12 V N 0.007 119.868 119.914 -0.090 0.000 2.358 12 V HA -0.295 3.825 4.120 0.000 0.000 0.246 12 V C 2.524 178.662 176.094 0.073 0.000 1.047 12 V CA 2.168 64.386 62.300 -0.136 0.000 1.035 12 V CB -1.045 30.431 31.823 -0.578 0.000 0.658 12 V HN 0.539 nan 8.190 nan 0.000 0.452 13 H N 0.867 119.950 119.070 0.023 0.000 2.389 13 H HA -0.051 4.505 4.556 0.000 0.000 0.299 13 H C 2.360 177.736 175.328 0.080 0.000 1.081 13 H CA 1.717 57.841 56.048 0.128 0.000 1.345 13 H CB -0.040 29.785 29.762 0.105 0.000 1.393 13 H HN 0.276 nan 8.280 nan 0.000 0.520 14 R N -1.082 119.410 120.500 -0.013 0.000 2.236 14 R HA 0.015 4.355 4.340 0.000 0.000 0.208 14 R C 1.396 177.652 176.300 -0.073 0.000 1.036 14 R CA 1.333 57.374 56.100 -0.098 0.000 1.001 14 R CB 0.312 30.584 30.300 -0.046 0.000 0.896 14 R HN 0.325 nan 8.270 nan 0.000 0.464 15 T N 0.476 115.005 114.554 -0.043 0.000 3.044 15 T HA 0.127 4.477 4.350 0.000 0.000 0.237 15 T C 1.755 176.408 174.700 -0.079 0.000 1.001 15 T CA 0.219 62.294 62.100 -0.042 0.000 1.160 15 T CB 0.246 69.104 68.868 -0.017 0.000 0.889 15 T HN -0.048 nan 8.240 nan 0.000 0.442 16 I N 2.128 122.641 120.570 -0.095 0.000 2.333 16 I HA -0.040 4.130 4.170 0.000 0.000 0.246 16 I C 2.572 178.463 176.117 -0.377 0.000 1.106 16 I CA 1.306 62.449 61.300 -0.263 0.000 1.411 16 I CB -1.795 35.968 38.000 -0.397 0.000 1.082 16 I HN 0.242 nan 8.210 nan 0.000 0.420 17 T N 2.170 116.623 114.554 -0.168 0.000 2.720 17 T HA -0.093 4.257 4.350 0.000 0.000 0.268 17 T C -0.330 174.270 174.700 -0.166 0.000 1.037 17 T CA 1.639 63.672 62.100 -0.112 0.000 1.144 17 T CB -1.300 67.685 68.868 0.196 0.000 0.864 17 T HN 0.241 nan 8.240 nan 0.000 0.444 18 P HA 0.068 nan 4.420 nan 0.000 0.220 18 P C 1.626 178.837 177.300 -0.148 0.000 1.152 18 P CA 0.319 63.343 63.100 -0.127 0.000 0.812 18 P CB -0.132 31.505 31.700 -0.104 0.000 0.792 19 L N -0.447 120.668 121.223 -0.181 0.000 2.012 19 L HA -0.166 4.175 4.340 0.000 0.000 0.210 19 L C 2.021 178.719 176.870 -0.287 0.000 1.073 19 L CA 1.996 56.712 54.840 -0.208 0.000 0.748 19 L CB -1.230 40.703 42.059 -0.211 0.000 0.891 19 L HN -0.143 nan 8.230 nan 0.000 0.431 20 I N -0.124 120.240 120.570 -0.344 0.000 2.208 20 I HA -0.244 3.926 4.170 0.000 0.000 0.245 20 I C 2.517 178.502 176.117 -0.220 0.000 1.097 20 I CA 1.312 62.407 61.300 -0.340 0.000 1.363 20 I CB -1.289 36.471 38.000 -0.400 0.000 1.051 20 I HN 0.404 nan 8.210 nan 0.000 0.413 21 E N 0.628 120.728 120.200 -0.168 0.000 2.072 21 E HA -0.188 4.162 4.350 0.000 0.000 0.190 21 E C 2.173 178.711 176.600 -0.103 0.000 0.982 21 E CA 0.962 57.296 56.400 -0.110 0.000 0.803 21 E CB -0.301 29.352 29.700 -0.078 0.000 0.755 21 E HN 0.592 nan 8.360 nan 0.000 0.453 22 Q N 0.262 119.994 119.800 -0.112 0.000 2.084 22 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 22 Q C 1.887 177.831 176.000 -0.093 0.000 0.978 22 Q CA 1.056 56.806 55.803 -0.089 0.000 0.844 22 Q CB 0.066 28.756 28.738 -0.080 0.000 0.898 22 Q HN 0.177 nan 8.270 nan 0.000 0.426 23 Q N 0.105 119.814 119.800 -0.152 0.000 2.360 23 Q HA 0.074 4.414 4.340 0.000 0.000 0.202 23 Q C -0.243 175.682 176.000 -0.125 0.000 0.915 23 Q CA 0.197 55.908 55.803 -0.153 0.000 0.943 23 Q CB 0.635 29.172 28.738 -0.334 0.000 1.064 23 Q HN 0.291 nan 8.270 nan 0.000 0.511 24 K N 0.747 121.075 120.400 -0.121 0.000 3.096 24 K HA -0.170 4.150 4.320 0.000 0.000 0.266 24 K C -0.496 176.048 176.600 -0.092 0.000 1.043 24 K CA 0.223 56.456 56.287 -0.090 0.000 0.758 24 K CB -1.913 30.554 32.500 -0.056 0.000 1.260 24 K HN 0.267 nan 8.250 nan 0.000 0.481 25 I N 0.953 121.441 120.570 -0.137 0.000 2.517 25 I HA -0.012 4.158 4.170 0.000 0.000 0.285 25 I C -0.914 175.175 176.117 -0.047 0.000 1.106 25 I CA -1.890 59.351 61.300 -0.097 0.000 1.402 25 I CB 0.683 38.570 38.000 -0.189 0.000 1.399 25 I HN -0.007 nan 8.210 nan 0.000 0.535 26 P HA -0.057 nan 4.420 nan 0.000 0.215 26 P C 0.402 177.755 177.300 0.087 0.000 1.157 26 P CA 0.623 63.711 63.100 -0.020 0.000 0.868 26 P CB 0.253 31.880 31.700 -0.122 0.000 0.788 27 G N -1.715 107.205 108.800 0.199 0.000 2.696 27 G HA2 0.695 4.655 3.960 0.000 0.000 0.295 27 G HA3 0.695 4.655 3.960 0.000 0.000 0.295 27 G C -1.889 173.254 174.900 0.404 0.000 1.398 27 G CA -0.372 44.919 45.100 0.319 0.000 0.920 27 G HN 0.058 nan 8.290 nan 0.000 0.492 28 M N 0.708 120.583 119.600 0.459 0.000 2.471 28 M HA 0.694 5.174 4.480 0.000 0.000 0.284 28 M C -1.671 174.946 176.300 0.527 0.000 1.203 28 M CA -0.574 54.958 55.300 0.387 0.000 0.915 28 M CB 2.265 34.943 32.600 0.130 0.000 1.734 28 M HN 1.134 nan 8.290 nan 0.000 0.485 29 A N 3.045 126.043 122.820 0.297 0.000 2.393 29 A HA 0.875 5.195 4.320 0.000 0.000 0.306 29 A C -1.830 175.960 177.584 0.343 0.000 1.050 29 A CA -0.598 51.655 52.037 0.360 0.000 0.724 29 A CB 1.828 20.957 19.000 0.215 0.000 1.248 29 A HN 0.628 nan 8.150 nan 0.000 0.424 30 V N 0.654 120.889 119.914 0.535 0.000 2.925 30 V HA 0.849 4.969 4.120 0.000 0.000 0.311 30 V C -0.007 176.408 176.094 0.535 0.000 1.104 30 V CA -0.183 62.407 62.300 0.484 0.000 0.954 30 V CB 2.007 34.142 31.823 0.519 0.000 1.022 30 V HN 1.536 nan 8.190 nan 0.000 0.427 31 A N 3.377 126.423 122.820 0.377 0.000 2.374 31 A HA 0.893 5.213 4.320 0.000 0.000 0.305 31 A C -1.288 176.425 177.584 0.215 0.000 1.053 31 A CA -0.544 51.639 52.037 0.244 0.000 0.726 31 A CB 1.862 20.946 19.000 0.139 0.000 1.229 31 A HN 0.674 nan 8.150 nan 0.000 0.431 32 V N 3.245 123.308 119.914 0.247 0.000 2.448 32 V HA 0.402 4.523 4.120 0.000 0.000 0.295 32 V C -0.889 175.312 176.094 0.178 0.000 1.025 32 V CA -0.343 62.095 62.300 0.230 0.000 0.859 32 V CB 1.471 33.475 31.823 0.301 0.000 0.988 32 V HN 0.732 nan 8.190 nan 0.000 0.431 33 I N 5.631 126.265 120.570 0.107 0.000 2.312 33 I HA 0.377 4.547 4.170 0.000 0.000 0.290 33 I C -0.741 175.471 176.117 0.158 0.000 1.008 33 I CA -0.329 61.002 61.300 0.052 0.000 1.226 33 I CB 0.898 38.867 38.000 -0.053 0.000 1.371 33 I HN 0.585 nan 8.210 nan 0.000 0.468 34 Y N 5.463 125.821 120.300 0.096 0.000 2.338 34 Y HA 0.355 4.905 4.550 0.000 0.000 0.333 34 Y C 0.320 176.261 175.900 0.070 0.000 0.968 34 Y CA -0.906 57.258 58.100 0.107 0.000 1.123 34 Y CB 1.106 39.687 38.460 0.201 0.000 1.165 34 Y HN 0.691 nan 8.280 nan 0.000 0.452 35 Q N 4.581 124.069 119.800 -0.520 0.000 2.457 35 Q HA -0.276 4.064 4.340 0.000 0.000 0.283 35 Q C 1.084 176.964 176.000 -0.199 0.000 1.234 35 Q CA 1.201 56.756 55.803 -0.414 0.000 0.877 35 Q CB -1.587 26.856 28.738 -0.491 0.000 1.250 35 Q HN 1.389 nan 8.270 nan 0.000 0.481 36 G N -2.648 106.057 108.800 -0.159 0.000 2.253 36 G HA2 -0.366 3.594 3.960 0.000 0.000 0.251 36 G HA3 -0.366 3.594 3.960 0.000 0.000 0.251 36 G C 0.175 175.001 174.900 -0.122 0.000 0.998 36 G CA 0.676 45.696 45.100 -0.133 0.000 0.621 36 G HN 0.800 nan 8.290 nan 0.000 0.524 37 K N 1.791 122.125 120.400 -0.110 0.000 2.138 37 K HA 0.838 5.158 4.320 0.000 0.000 0.263 37 K C -2.469 173.905 176.600 -0.377 0.000 0.965 37 K CA -1.325 54.833 56.287 -0.214 0.000 0.868 37 K CB 1.489 33.862 32.500 -0.212 0.000 1.083 37 K HN 0.313 nan 8.250 nan 0.000 0.443 38 P HA 0.448 nan 4.420 nan 0.000 0.288 38 P C -1.412 175.269 177.300 -1.032 0.000 1.267 38 P CA -0.331 62.404 63.100 -0.607 0.000 0.815 38 P CB 0.511 31.934 31.700 -0.460 0.000 0.989 39 Y N 1.009 121.025 120.300 -0.473 0.000 2.406 39 Y HA 0.434 4.984 4.550 0.000 0.000 0.340 39 Y C -0.088 175.422 175.900 -0.649 0.000 0.975 39 Y CA -0.479 57.353 58.100 -0.447 0.000 1.056 39 Y CB 1.783 40.154 38.460 -0.148 0.000 1.210 39 Y HN 0.289 nan 8.280 nan 0.000 0.448 40 Y N 2.365 122.500 120.300 -0.275 0.000 2.446 40 Y HA 0.731 5.281 4.550 0.000 0.000 0.338 40 Y C -0.947 174.523 175.900 -0.717 0.000 1.055 40 Y CA -1.324 56.624 58.100 -0.254 0.000 1.101 40 Y CB 1.532 39.932 38.460 -0.100 0.000 1.221 40 Y HN 0.383 nan 8.280 nan 0.000 0.460 41 F N 0.084 120.138 119.950 0.173 0.000 2.581 41 F HA 0.645 5.172 4.527 0.000 0.000 0.311 41 F C -0.360 175.355 175.800 -0.141 0.000 1.113 41 F CA -0.937 56.986 58.000 -0.130 0.000 0.935 41 F CB 2.490 41.383 39.000 -0.178 0.000 1.232 41 F HN 0.414 nan 8.300 nan 0.000 0.445 42 T N -1.612 112.787 114.554 -0.258 0.000 2.903 42 T HA 0.677 5.027 4.350 0.000 0.000 0.299 42 T C -1.623 172.996 174.700 -0.135 0.000 1.093 42 T CA -0.787 61.332 62.100 0.033 0.000 1.002 42 T CB 1.990 70.932 68.868 0.123 0.000 1.127 42 T HN 0.637 nan 8.240 nan 0.000 0.488 43 W N 0.254 121.650 121.300 0.160 0.000 3.256 43 W HA 0.487 5.147 4.660 0.000 0.000 0.324 43 W C 0.738 177.294 176.519 0.063 0.000 1.196 43 W CA -0.252 57.150 57.345 0.094 0.000 1.206 43 W CB 1.744 31.255 29.460 0.084 0.000 1.385 43 W HN 1.404 nan 8.180 nan 0.000 0.522 44 G N 1.493 110.396 108.800 0.171 0.000 2.569 44 G HA2 -0.297 3.663 3.960 0.000 0.000 0.259 44 G HA3 -0.297 3.663 3.960 0.000 0.000 0.259 44 G C -1.426 173.469 174.900 -0.008 0.000 1.263 44 G CA -0.321 44.741 45.100 -0.063 0.000 0.928 44 G HN 0.574 nan 8.290 nan 0.000 0.572 45 Y N 0.031 120.427 120.300 0.159 0.000 2.409 45 Y HA 0.554 5.104 4.550 0.000 0.000 0.339 45 Y C 1.330 177.345 175.900 0.191 0.000 1.033 45 Y CA -0.519 57.668 58.100 0.146 0.000 1.094 45 Y CB 2.010 40.522 38.460 0.087 0.000 1.210 45 Y HN 0.790 nan 8.280 nan 0.000 0.456 46 A N 0.786 123.825 122.820 0.365 0.000 1.984 46 A HA -0.012 4.308 4.320 0.000 0.000 0.214 46 A C 0.153 177.934 177.584 0.328 0.000 1.173 46 A CA 0.997 53.187 52.037 0.255 0.000 0.673 46 A CB 0.163 19.245 19.000 0.138 0.000 0.830 46 A HN 0.672 nan 8.150 nan 0.000 0.453 47 D N -0.807 119.774 120.400 0.302 0.000 2.476 47 D HA 0.394 5.034 4.640 0.000 0.000 0.251 47 D C 0.646 177.011 176.300 0.108 0.000 1.291 47 D CA -0.419 53.771 54.000 0.316 0.000 0.939 47 D CB 0.767 41.731 40.800 0.273 0.000 1.221 47 D HN 0.144 nan 8.370 nan 0.000 0.567 48 I N 2.253 122.907 120.570 0.141 0.000 2.142 48 I HA -0.246 3.924 4.170 0.000 0.000 0.240 48 I C 2.522 178.549 176.117 -0.149 0.000 1.078 48 I CA 1.310 62.579 61.300 -0.052 0.000 1.343 48 I CB -0.174 37.752 38.000 -0.124 0.000 1.046 48 I HN 0.442 nan 8.210 nan 0.000 0.405 49 A N 0.978 123.760 122.820 -0.064 0.000 1.892 49 A HA -0.251 4.069 4.320 0.000 0.000 0.218 49 A C 2.225 179.744 177.584 -0.109 0.000 1.188 49 A CA 1.937 53.924 52.037 -0.083 0.000 0.631 49 A CB -0.533 18.423 19.000 -0.074 0.000 0.822 49 A HN 0.392 nan 8.150 nan 0.000 0.447 50 K N -0.872 119.471 120.400 -0.095 0.000 2.444 50 K HA 0.088 4.408 4.320 0.000 0.000 0.193 50 K C -0.299 176.183 176.600 -0.197 0.000 1.024 50 K CA 0.265 56.495 56.287 -0.095 0.000 1.077 50 K CB 0.092 32.580 32.500 -0.020 0.000 0.833 50 K HN 0.442 nan 8.250 nan 0.000 0.517 51 K N 0.135 120.287 120.400 -0.413 0.000 3.077 51 K HA -0.224 4.096 4.320 0.000 0.000 0.264 51 K C -0.149 176.154 176.600 -0.495 0.000 1.008 51 K CA 0.731 56.482 56.287 -0.893 0.000 0.740 51 K CB -2.020 30.132 32.500 -0.580 0.000 1.273 51 K HN 0.415 nan 8.250 nan 0.000 0.477 52 Q N 0.881 120.547 119.800 -0.225 0.000 2.279 52 Q HA 0.320 4.660 4.340 0.000 0.000 0.256 52 Q C -2.166 173.947 176.000 0.188 0.000 0.937 52 Q CA -1.730 54.080 55.803 0.012 0.000 0.933 52 Q CB 0.115 28.884 28.738 0.052 0.000 1.189 52 Q HN 0.101 nan 8.270 nan 0.000 0.417 53 P HA 0.312 nan 4.420 nan 0.000 0.276 53 P C -0.493 176.959 177.300 0.253 0.000 1.244 53 P CA -0.355 62.954 63.100 0.348 0.000 0.801 53 P CB 1.021 32.871 31.700 0.251 0.000 1.006 54 V N 1.872 121.952 119.914 0.277 0.000 2.614 54 V HA 0.282 4.402 4.120 0.000 0.000 0.291 54 V C 1.192 177.418 176.094 0.220 0.000 1.049 54 V CA 0.705 63.180 62.300 0.292 0.000 1.038 54 V CB 0.530 32.611 31.823 0.431 0.000 0.980 54 V HN 0.915 nan 8.190 nan 0.000 0.481 55 T N 1.250 115.918 114.554 0.190 0.000 2.716 55 T HA 0.347 4.697 4.350 0.000 0.000 0.286 55 T C 0.372 175.134 174.700 0.103 0.000 1.052 55 T CA -0.726 61.440 62.100 0.109 0.000 1.024 55 T CB 1.650 70.550 68.868 0.052 0.000 1.349 55 T HN 0.413 nan 8.240 nan 0.000 0.525 56 Q N -0.220 119.579 119.800 -0.002 0.000 2.488 56 Q HA 0.063 4.403 4.340 0.000 0.000 0.211 56 Q C 2.270 178.231 176.000 -0.065 0.000 0.967 56 Q CA 1.341 57.097 55.803 -0.080 0.000 0.926 56 Q CB -0.268 28.318 28.738 -0.253 0.000 0.992 56 Q HN 0.853 nan 8.270 nan 0.000 0.506 57 Q N 0.202 119.971 119.800 -0.052 0.000 2.247 57 Q HA 0.096 4.436 4.340 0.000 0.000 0.211 57 Q C 0.665 176.650 176.000 -0.025 0.000 0.861 57 Q CA 0.180 55.915 55.803 -0.114 0.000 0.949 57 Q CB 0.343 28.980 28.738 -0.168 0.000 1.115 57 Q HN 0.166 nan 8.270 nan 0.000 0.507 58 T N 1.809 116.408 114.554 0.075 0.000 2.870 58 T HA 0.497 4.847 4.350 0.000 0.000 0.300 58 T C 0.103 174.861 174.700 0.097 0.000 0.989 58 T CA -0.116 62.021 62.100 0.062 0.000 1.139 58 T CB 0.258 69.170 68.868 0.073 0.000 0.920 58 T HN 0.468 nan 8.240 nan 0.000 0.537 59 L N 4.233 125.457 121.223 0.002 0.000 2.276 59 L HA 0.496 4.836 4.340 0.000 0.000 0.286 59 L C -0.529 176.323 176.870 -0.029 0.000 1.061 59 L CA -0.530 54.327 54.840 0.029 0.000 0.807 59 L CB 0.404 42.404 42.059 -0.099 0.000 1.177 59 L HN 0.539 nan 8.230 nan 0.000 0.429 60 F N 0.844 120.831 119.950 0.062 0.000 2.507 60 F HA 0.374 4.901 4.527 0.000 0.000 0.327 60 F C 0.503 176.093 175.800 -0.350 0.000 1.068 60 F CA -0.857 57.129 58.000 -0.024 0.000 0.965 60 F CB 1.350 40.474 39.000 0.208 0.000 1.192 60 F HN 0.382 nan 8.300 nan 0.000 0.476 61 E N 2.373 122.090 120.200 -0.806 0.000 2.259 61 E HA 0.184 4.534 4.350 0.000 0.000 0.281 61 E C 0.378 176.921 176.600 -0.096 0.000 1.037 61 E CA -0.074 56.040 56.400 -0.477 0.000 0.854 61 E CB 0.954 30.275 29.700 -0.630 0.000 1.051 61 E HN 0.607 nan 8.360 nan 0.000 0.409 62 L N 2.697 123.941 121.223 0.035 0.000 2.446 62 L HA 0.103 4.443 4.340 0.000 0.000 0.219 62 L C 1.393 178.375 176.870 0.187 0.000 1.116 62 L CA 0.414 55.341 54.840 0.146 0.000 0.844 62 L CB -0.729 41.431 42.059 0.167 0.000 0.970 62 L HN 0.904 nan 8.230 nan 0.000 0.457 63 G N 0.477 109.391 108.800 0.190 0.000 2.596 63 G HA2 -0.386 3.575 3.960 0.000 0.000 0.295 63 G HA3 -0.386 3.575 3.960 0.000 0.000 0.295 63 G C 0.826 175.884 174.900 0.263 0.000 1.240 63 G CA 0.350 45.590 45.100 0.233 0.000 0.985 63 G HN 0.179 nan 8.290 nan 0.000 0.555 64 S N -0.198 115.649 115.700 0.246 0.000 2.500 64 S HA 0.029 4.499 4.470 0.000 0.000 0.239 64 S C 2.384 177.116 174.600 0.220 0.000 0.989 64 S CA 1.313 59.672 58.200 0.266 0.000 0.951 64 S CB -0.141 63.251 63.200 0.320 0.000 0.759 64 S HN 0.744 nan 8.310 nan 0.000 0.523 65 V N 1.561 121.596 119.914 0.202 0.000 2.867 65 V HA -0.127 3.993 4.120 0.000 0.000 0.260 65 V C 2.111 178.320 176.094 0.191 0.000 1.099 65 V CA 1.419 63.815 62.300 0.160 0.000 1.122 65 V CB -0.778 31.170 31.823 0.208 0.000 0.708 65 V HN 0.449 nan 8.190 nan 0.000 0.490 66 S N -0.170 115.687 115.700 0.262 0.000 2.419 66 S HA -0.223 4.247 4.470 0.000 0.000 0.235 66 S C 1.903 176.677 174.600 0.291 0.000 1.019 66 S CA 1.244 59.650 58.200 0.343 0.000 0.982 66 S CB -0.268 63.064 63.200 0.219 0.000 0.789 66 S HN 0.641 nan 8.310 nan 0.000 0.490 67 K N 0.964 121.473 120.400 0.182 0.000 2.280 67 K HA -0.093 4.227 4.320 0.000 0.000 0.202 67 K C 2.395 179.007 176.600 0.021 0.000 1.047 67 K CA 1.562 57.928 56.287 0.131 0.000 0.942 67 K CB -0.439 32.152 32.500 0.153 0.000 0.739 67 K HN 0.615 nan 8.250 nan 0.000 0.457 68 T N -1.471 112.984 114.554 -0.164 0.000 2.951 68 T HA -0.071 4.279 4.350 0.000 0.000 0.268 68 T C 1.679 176.341 174.700 -0.063 0.000 1.073 68 T CA 0.689 62.503 62.100 -0.477 0.000 1.134 68 T CB -0.275 67.867 68.868 -1.211 0.000 0.884 68 T HN -0.001 nan 8.240 nan 0.000 0.479 69 F N 2.172 122.163 119.950 0.069 0.000 2.163 69 F HA 0.089 4.616 4.527 0.000 0.000 0.297 69 F C 2.958 178.809 175.800 0.085 0.000 1.094 69 F CA 1.169 59.169 58.000 -0.001 0.000 1.290 69 F CB -1.072 37.829 39.000 -0.165 0.000 1.017 69 F HN 0.131 nan 8.300 nan 0.000 0.483 70 T N -0.573 114.174 114.554 0.321 0.000 2.746 70 T HA -0.122 4.228 4.350 0.000 0.000 0.267 70 T C 2.386 177.275 174.700 0.315 0.000 1.039 70 T CA 1.422 63.728 62.100 0.343 0.000 1.142 70 T CB -1.035 68.032 68.868 0.332 0.000 0.866 70 T HN 0.422 nan 8.240 nan 0.000 0.444 71 G N 1.044 109.981 108.800 0.229 0.000 2.446 71 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 71 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 71 G C 1.700 176.750 174.900 0.251 0.000 1.168 71 G CA 0.896 46.117 45.100 0.202 0.000 0.771 71 G HN 0.435 nan 8.290 nan 0.000 0.551 72 V N 0.607 120.688 119.914 0.278 0.000 2.358 72 V HA -0.100 4.020 4.120 0.000 0.000 0.246 72 V C 2.670 178.891 176.094 0.213 0.000 1.047 72 V CA 1.522 64.002 62.300 0.301 0.000 1.035 72 V CB -0.393 31.724 31.823 0.490 0.000 0.658 72 V HN 0.342 nan 8.190 nan 0.000 0.452 73 L N 1.419 122.741 121.223 0.165 0.000 2.042 73 L HA -0.053 4.287 4.340 0.000 0.000 0.210 73 L C 2.315 179.210 176.870 0.041 0.000 1.076 73 L CA 2.447 57.307 54.840 0.033 0.000 0.749 73 L CB -1.265 40.736 42.059 -0.098 0.000 0.893 73 L HN 0.275 nan 8.230 nan 0.000 0.432 74 G N -1.270 107.617 108.800 0.147 0.000 2.408 74 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 74 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 74 G C 1.517 176.526 174.900 0.182 0.000 1.150 74 G CA 0.522 45.726 45.100 0.172 0.000 0.776 74 G HN 0.588 nan 8.290 nan 0.000 0.542 75 G N 0.551 109.467 108.800 0.193 0.000 2.422 75 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 75 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 75 G C 1.434 176.392 174.900 0.098 0.000 1.146 75 G CA 1.329 46.520 45.100 0.152 0.000 0.769 75 G HN 0.496 nan 8.290 nan 0.000 0.547 76 D N 0.626 121.072 120.400 0.077 0.000 2.117 76 D HA 0.050 4.690 4.640 0.000 0.000 0.198 76 D C 2.651 178.957 176.300 0.010 0.000 0.982 76 D CA 1.361 55.383 54.000 0.038 0.000 0.828 76 D CB -0.270 40.542 40.800 0.019 0.000 0.967 76 D HN 0.220 nan 8.370 nan 0.000 0.464 77 A N -0.013 122.801 122.820 -0.010 0.000 1.972 77 A HA -0.074 4.246 4.320 0.000 0.000 0.219 77 A C 2.328 179.907 177.584 -0.009 0.000 1.169 77 A CA 0.991 53.005 52.037 -0.038 0.000 0.635 77 A CB -0.693 18.248 19.000 -0.098 0.000 0.810 77 A HN 0.395 nan 8.150 nan 0.000 0.446 78 I N -0.432 120.153 120.570 0.024 0.000 2.286 78 I HA -0.209 3.961 4.170 0.000 0.000 0.245 78 I C 2.909 179.050 176.117 0.039 0.000 1.104 78 I CA 0.947 62.273 61.300 0.043 0.000 1.397 78 I CB -0.317 37.728 38.000 0.076 0.000 1.072 78 I HN 0.328 nan 8.210 nan 0.000 0.417 79 A N 0.830 123.673 122.820 0.038 0.000 1.972 79 A HA -0.151 4.169 4.320 0.000 0.000 0.219 79 A C 2.240 179.835 177.584 0.018 0.000 1.169 79 A CA 1.281 53.336 52.037 0.030 0.000 0.635 79 A CB -0.513 18.505 19.000 0.030 0.000 0.810 79 A HN 0.337 nan 8.150 nan 0.000 0.446 80 R N -1.095 119.411 120.500 0.010 0.000 2.319 80 R HA 0.171 4.512 4.340 0.000 0.000 0.204 80 R C 1.246 177.551 176.300 0.008 0.000 0.954 80 R CA 0.463 56.565 56.100 0.002 0.000 1.066 80 R CB -0.262 30.032 30.300 -0.011 0.000 0.991 80 R HN 0.645 nan 8.270 nan 0.000 0.486 81 G N 1.455 110.266 108.800 0.018 0.000 2.187 81 G HA2 -0.333 3.627 3.960 0.000 0.000 0.261 81 G HA3 -0.333 3.627 3.960 0.000 0.000 0.261 81 G C 0.544 175.464 174.900 0.034 0.000 1.000 81 G CA 0.795 45.912 45.100 0.028 0.000 0.718 81 G HN 0.503 nan 8.290 nan 0.000 0.519 82 E N -0.647 119.568 120.200 0.024 0.000 2.230 82 E HA 0.269 4.619 4.350 0.000 0.000 0.192 82 E C 1.507 178.152 176.600 0.075 0.000 0.987 82 E CA 1.071 57.490 56.400 0.033 0.000 0.841 82 E CB 0.250 29.946 29.700 -0.006 0.000 0.783 82 E HN 0.909 nan 8.360 nan 0.000 0.481 83 I N -2.607 117.988 120.570 0.042 0.000 3.102 83 I HA 0.495 4.665 4.170 0.000 0.000 0.310 83 I C -1.499 174.667 176.117 0.081 0.000 1.246 83 I CA -1.317 60.015 61.300 0.053 0.000 0.979 83 I CB 2.337 40.195 38.000 -0.237 0.000 1.267 83 I HN -0.337 nan 8.210 nan 0.000 0.451 84 K N 2.613 123.096 120.400 0.138 0.000 2.427 84 K HA 0.495 4.815 4.320 0.000 0.000 0.252 84 K C -0.020 176.650 176.600 0.117 0.000 0.931 84 K CA -0.789 55.568 56.287 0.117 0.000 0.793 84 K CB 3.051 35.626 32.500 0.125 0.000 1.211 84 K HN 0.617 nan 8.250 nan 0.000 0.426 85 L N 1.047 122.320 121.223 0.083 0.000 2.362 85 L HA -0.141 4.199 4.340 0.000 0.000 0.219 85 L C 1.956 178.854 176.870 0.046 0.000 1.134 85 L CA 1.188 56.059 54.840 0.052 0.000 0.807 85 L CB -0.243 41.797 42.059 -0.032 0.000 0.927 85 L HN 0.697 nan 8.230 nan 0.000 0.447 86 S N -2.734 113.007 115.700 0.069 0.000 2.562 86 S HA 0.009 4.479 4.470 0.000 0.000 0.221 86 S C 0.548 175.218 174.600 0.117 0.000 0.975 86 S CA -0.262 57.980 58.200 0.071 0.000 0.918 86 S CB -0.308 62.932 63.200 0.065 0.000 0.772 86 S HN 0.208 nan 8.310 nan 0.000 0.531 87 D N 3.755 124.259 120.400 0.173 0.000 2.345 87 D HA 0.374 5.014 4.640 0.000 0.000 0.247 87 D C -2.583 173.874 176.300 0.262 0.000 1.108 87 D CA -1.738 52.400 54.000 0.229 0.000 0.894 87 D CB 0.748 41.774 40.800 0.376 0.000 1.203 87 D HN 0.134 nan 8.370 nan 0.000 0.430 88 P HA 0.024 nan 4.420 nan 0.000 0.267 88 P C 0.733 178.196 177.300 0.273 0.000 1.200 88 P CA 0.039 63.270 63.100 0.219 0.000 0.772 88 P CB 0.580 32.368 31.700 0.146 0.000 0.855 89 T N 0.304 115.044 114.554 0.309 0.000 2.881 89 T HA -0.106 4.244 4.350 0.000 0.000 0.270 89 T C 1.467 176.294 174.700 0.213 0.000 1.068 89 T CA 1.742 64.023 62.100 0.301 0.000 1.131 89 T CB -0.725 68.328 68.868 0.309 0.000 0.871 89 T HN 0.475 nan 8.240 nan 0.000 0.479 90 T N 1.512 116.148 114.554 0.136 0.000 2.962 90 T HA -0.020 4.330 4.350 0.000 0.000 0.270 90 T C 1.845 176.553 174.700 0.013 0.000 1.088 90 T CA 0.809 62.939 62.100 0.049 0.000 1.127 90 T CB -0.075 68.811 68.868 0.029 0.000 0.883 90 T HN 0.425 nan 8.240 nan 0.000 0.493 91 K N 0.491 120.856 120.400 -0.059 0.000 2.103 91 K HA -0.128 4.192 4.320 0.000 0.000 0.207 91 K C 1.167 177.510 176.600 -0.429 0.000 1.048 91 K CA 1.444 57.543 56.287 -0.313 0.000 0.930 91 K CB -0.127 32.045 32.500 -0.547 0.000 0.716 91 K HN 0.451 nan 8.250 nan 0.000 0.444 92 Y N -2.564 117.768 120.300 0.054 0.000 2.457 92 Y HA 0.106 4.656 4.550 0.000 0.000 0.263 92 Y C 0.186 176.136 175.900 0.084 0.000 1.164 92 Y CA -0.548 57.569 58.100 0.029 0.000 1.274 92 Y CB 0.459 38.905 38.460 -0.024 0.000 1.097 92 Y HN 0.141 nan 8.280 nan 0.000 0.523 93 W N 2.100 123.395 121.300 -0.009 0.000 2.162 93 W HA 0.404 5.064 4.660 0.000 0.000 0.292 93 W C -2.514 173.953 176.519 -0.087 0.000 0.998 93 W CA -3.746 53.559 57.345 -0.067 0.000 1.570 93 W CB 0.888 30.266 29.460 -0.136 0.000 1.644 93 W HN -0.097 nan 8.180 nan 0.000 0.360 94 P HA -0.282 nan 4.420 nan 0.000 0.218 94 P C 1.307 178.560 177.300 -0.078 0.000 1.154 94 P CA 2.250 65.362 63.100 0.021 0.000 0.872 94 P CB 0.306 32.029 31.700 0.038 0.000 0.790 95 E N -1.339 118.785 120.200 -0.127 0.000 2.409 95 E HA -0.104 4.246 4.350 0.000 0.000 0.198 95 E C 0.412 176.693 176.600 -0.531 0.000 1.024 95 E CA 0.058 56.286 56.400 -0.286 0.000 0.861 95 E CB -0.492 29.073 29.700 -0.224 0.000 0.788 95 E HN 0.038 nan 8.360 nan 0.000 0.521 96 L N 1.343 122.138 121.223 -0.713 0.000 2.389 96 L HA 0.131 4.471 4.340 0.000 0.000 0.265 96 L C 0.796 177.444 176.870 -0.370 0.000 1.167 96 L CA 0.360 54.739 54.840 -0.769 0.000 1.045 96 L CB 0.268 41.706 42.059 -1.035 0.000 1.351 96 L HN 0.009 nan 8.230 nan 0.000 0.419 97 T N -0.430 113.989 114.554 -0.224 0.000 3.044 97 T HA 0.348 4.698 4.350 0.000 0.000 0.250 97 T C 0.955 175.670 174.700 0.025 0.000 1.081 97 T CA 0.247 62.303 62.100 -0.073 0.000 1.040 97 T CB -0.009 68.820 68.868 -0.065 0.000 0.962 97 T HN 0.524 nan 8.240 nan 0.000 0.506 98 A N 2.852 125.713 122.820 0.068 0.000 2.565 98 A HA 0.226 4.546 4.320 0.000 0.000 0.237 98 A C 1.677 179.385 177.584 0.207 0.000 1.053 98 A CA 0.134 52.263 52.037 0.153 0.000 0.755 98 A CB 0.167 19.300 19.000 0.222 0.000 0.980 98 A HN 0.678 nan 8.150 nan 0.000 0.506 99 K N 1.796 122.262 120.400 0.109 0.000 2.152 99 K HA -0.249 4.071 4.320 0.000 0.000 0.206 99 K C 1.450 178.090 176.600 0.067 0.000 1.048 99 K CA 1.608 57.944 56.287 0.081 0.000 0.933 99 K CB -0.139 32.378 32.500 0.028 0.000 0.721 99 K HN 0.814 nan 8.250 nan 0.000 0.447 100 Q N 0.440 120.248 119.800 0.014 0.000 2.439 100 Q HA -0.164 4.176 4.340 0.000 0.000 0.211 100 Q C 0.872 176.785 176.000 -0.145 0.000 0.978 100 Q CA 1.227 56.946 55.803 -0.141 0.000 0.897 100 Q CB -0.509 28.027 28.738 -0.337 0.000 0.956 100 Q HN 0.612 nan 8.270 nan 0.000 0.483 101 W N 2.030 123.384 121.300 0.091 0.000 3.139 101 W HA 0.200 4.860 4.660 0.000 0.000 0.260 101 W C 0.185 176.772 176.519 0.113 0.000 1.312 101 W CA -0.527 56.901 57.345 0.138 0.000 1.606 101 W CB 0.034 29.566 29.460 0.120 0.000 1.118 101 W HN 0.066 nan 8.180 nan 0.000 0.675 102 N N 0.668 119.505 118.700 0.229 0.000 2.468 102 N HA 0.238 4.978 4.740 0.000 0.000 0.265 102 N C 1.096 176.698 175.510 0.154 0.000 1.199 102 N CA 0.898 54.051 53.050 0.172 0.000 0.928 102 N CB 0.516 39.069 38.487 0.110 0.000 1.059 102 N HN 0.199 nan 8.380 nan 0.000 0.467 103 G N 2.335 111.245 108.800 0.184 0.000 2.195 103 G HA2 -0.266 3.694 3.960 0.000 0.000 0.246 103 G HA3 -0.266 3.694 3.960 0.000 0.000 0.246 103 G C 0.122 175.185 174.900 0.272 0.000 0.984 103 G CA -0.433 44.783 45.100 0.193 0.000 0.633 103 G HN 0.549 nan 8.290 nan 0.000 0.525 104 I N 2.979 123.736 120.570 0.311 0.000 2.297 104 I HA 0.382 4.552 4.170 0.000 0.000 0.291 104 I C 1.191 177.614 176.117 0.510 0.000 1.033 104 I CA 0.117 61.674 61.300 0.428 0.000 1.253 104 I CB 1.104 39.318 38.000 0.356 0.000 1.396 104 I HN 0.307 nan 8.210 nan 0.000 0.476 105 T N 2.978 117.882 114.554 0.583 0.000 2.923 105 T HA 0.439 4.789 4.350 0.000 0.000 0.281 105 T C 1.255 176.091 174.700 0.228 0.000 0.995 105 T CA -0.841 61.431 62.100 0.287 0.000 0.985 105 T CB 1.407 70.332 68.868 0.095 0.000 1.114 105 T HN 0.405 nan 8.240 nan 0.000 0.548 106 L N 0.235 121.574 121.223 0.194 0.000 2.083 106 L HA -0.023 4.318 4.340 0.000 0.000 0.209 106 L C 2.567 179.466 176.870 0.048 0.000 1.083 106 L CA 0.928 55.896 54.840 0.214 0.000 0.752 106 L CB -0.777 41.418 42.059 0.228 0.000 0.899 106 L HN 0.608 nan 8.230 nan 0.000 0.433 107 L N -0.548 120.627 121.223 -0.081 0.000 2.012 107 L HA -0.268 4.072 4.340 0.000 0.000 0.210 107 L C 2.721 179.517 176.870 -0.124 0.000 1.073 107 L CA 1.926 56.634 54.840 -0.220 0.000 0.748 107 L CB -0.788 41.130 42.059 -0.235 0.000 0.891 107 L HN 0.253 nan 8.230 nan 0.000 0.431 108 H N -0.254 118.887 119.070 0.119 0.000 2.319 108 H HA -0.137 4.419 4.556 0.000 0.000 0.299 108 H C 2.398 177.729 175.328 0.004 0.000 1.092 108 H CA 2.093 58.203 56.048 0.104 0.000 1.302 108 H CB -0.579 29.268 29.762 0.142 0.000 1.373 108 H HN 0.378 nan 8.280 nan 0.000 0.497 109 L N 0.149 121.460 121.223 0.146 0.000 2.046 109 L HA -0.137 4.203 4.340 0.000 0.000 0.208 109 L C 2.835 179.611 176.870 -0.158 0.000 1.077 109 L CA 1.038 55.924 54.840 0.076 0.000 0.747 109 L CB -0.543 41.630 42.059 0.190 0.000 0.896 109 L HN 0.219 nan 8.230 nan 0.000 0.432 110 A N -0.417 122.153 122.820 -0.417 0.000 2.015 110 A HA -0.139 4.181 4.320 0.000 0.000 0.219 110 A C 2.001 179.150 177.584 -0.726 0.000 1.163 110 A CA 1.883 53.410 52.037 -0.851 0.000 0.646 110 A CB -0.610 17.494 19.000 -1.492 0.000 0.806 110 A HN 0.507 nan 8.150 nan 0.000 0.448 111 T N -5.979 108.275 114.554 -0.501 0.000 3.228 111 T HA 0.339 4.689 4.350 0.000 0.000 0.278 111 T C 0.189 174.677 174.700 -0.353 0.000 1.014 111 T CA 0.074 61.919 62.100 -0.423 0.000 0.904 111 T CB -0.943 67.986 68.868 0.102 0.000 1.110 111 T HN 0.638 nan 8.240 nan 0.000 0.541 112 Y N 0.942 121.226 120.300 -0.028 0.000 3.825 112 Y HA -0.278 4.272 4.550 0.000 0.000 0.221 112 Y C 1.148 177.012 175.900 -0.060 0.000 1.195 112 Y CA 0.613 58.695 58.100 -0.029 0.000 1.699 112 Y CB -2.970 35.482 38.460 -0.013 0.000 1.531 112 Y HN 0.607 nan 8.280 nan 0.000 0.640 113 T N -4.332 110.217 114.554 -0.008 0.000 3.215 113 T HA 0.665 5.015 4.350 0.000 0.000 0.271 113 T C 1.380 176.064 174.700 -0.026 0.000 1.012 113 T CA 0.103 62.123 62.100 -0.134 0.000 0.899 113 T CB 0.780 69.326 68.868 -0.537 0.000 1.089 113 T HN 0.491 nan 8.240 nan 0.000 0.552 114 A N 1.405 124.268 122.820 0.072 0.000 2.067 114 A HA 0.547 4.867 4.320 0.000 0.000 0.219 114 A C 1.937 179.608 177.584 0.145 0.000 1.158 114 A CA 0.784 52.856 52.037 0.059 0.000 0.661 114 A CB -0.782 18.235 19.000 0.028 0.000 0.801 114 A HN 1.457 nan 8.150 nan 0.000 0.452 115 G N -3.438 105.522 108.800 0.265 0.000 2.165 115 G HA2 0.416 4.376 3.960 0.000 0.000 0.144 115 G HA3 0.416 4.376 3.960 0.000 0.000 0.144 115 G C 0.972 176.196 174.900 0.541 0.000 1.049 115 G CA 0.383 45.726 45.100 0.404 0.000 0.741 115 G HN 1.962 nan 8.290 nan 0.000 0.493 116 G N -0.763 108.380 108.800 0.572 0.000 2.145 116 G HA2 -0.086 3.874 3.960 0.000 0.000 0.176 116 G HA3 -0.086 3.874 3.960 0.000 0.000 0.176 116 G C 0.430 175.600 174.900 0.449 0.000 1.013 116 G CA -0.038 45.348 45.100 0.477 0.000 0.689 116 G HN 1.171 nan 8.290 nan 0.000 0.506 117 L N 1.964 123.300 121.223 0.190 0.000 2.514 117 L HA 0.250 4.591 4.340 0.000 0.000 0.280 117 L C -0.790 176.148 176.870 0.114 0.000 1.223 117 L CA -1.193 53.550 54.840 -0.162 0.000 0.864 117 L CB 0.381 42.276 42.059 -0.273 0.000 1.118 117 L HN 0.105 nan 8.230 nan 0.000 0.494 118 P HA -0.050 nan 4.420 nan 0.000 0.271 118 P C 0.512 177.892 177.300 0.134 0.000 1.218 118 P CA -0.476 62.734 63.100 0.184 0.000 0.780 118 P CB 1.076 32.921 31.700 0.242 0.000 0.901 119 L N 1.303 122.596 121.223 0.116 0.000 2.043 119 L HA -0.154 4.186 4.340 0.000 0.000 0.212 119 L C 0.813 177.725 176.870 0.070 0.000 1.075 119 L CA 2.060 56.954 54.840 0.090 0.000 0.752 119 L CB -0.625 41.496 42.059 0.104 0.000 0.891 119 L HN 0.381 nan 8.230 nan 0.000 0.432 120 Q N -0.697 119.139 119.800 0.059 0.000 2.387 120 Q HA 0.423 4.763 4.340 0.000 0.000 0.273 120 Q C -0.980 174.998 176.000 -0.038 0.000 1.089 120 Q CA -0.828 54.991 55.803 0.027 0.000 0.824 120 Q CB 2.132 30.877 28.738 0.011 0.000 1.367 120 Q HN -0.087 nan 8.270 nan 0.000 0.443 121 V N 3.173 123.023 119.914 -0.107 0.000 2.488 121 V HA 0.184 4.305 4.120 0.000 0.000 0.277 121 V C -1.966 173.952 176.094 -0.293 0.000 1.046 121 V CA -1.312 60.765 62.300 -0.372 0.000 0.986 121 V CB 0.638 32.265 31.823 -0.328 0.000 0.989 121 V HN 0.599 nan 8.190 nan 0.000 0.475 122 P HA 0.075 nan 4.420 nan 0.000 0.264 122 P C 0.919 178.143 177.300 -0.128 0.000 1.173 122 P CA 1.029 64.025 63.100 -0.173 0.000 0.761 122 P CB 0.407 32.022 31.700 -0.142 0.000 0.794 123 D N 1.958 122.324 120.400 -0.057 0.000 2.218 123 D HA -0.191 4.449 4.640 0.000 0.000 0.204 123 D C 1.358 177.643 176.300 -0.025 0.000 0.976 123 D CA 1.310 55.294 54.000 -0.028 0.000 0.853 123 D CB -0.628 40.170 40.800 -0.004 0.000 0.939 123 D HN 0.553 nan 8.370 nan 0.000 0.481 124 E N -0.661 119.523 120.200 -0.027 0.000 2.358 124 E HA 0.162 4.512 4.350 0.000 0.000 0.195 124 E C 0.668 177.257 176.600 -0.019 0.000 1.010 124 E CA -0.155 56.237 56.400 -0.012 0.000 0.856 124 E CB 0.494 30.195 29.700 0.001 0.000 0.795 124 E HN 0.432 nan 8.360 nan 0.000 0.504 125 V N 1.750 121.630 119.914 -0.057 0.000 2.470 125 V HA 0.032 4.152 4.120 0.000 0.000 0.276 125 V C 0.811 176.884 176.094 -0.036 0.000 1.040 125 V CA 0.609 62.874 62.300 -0.058 0.000 1.008 125 V CB 1.095 32.820 31.823 -0.163 0.000 0.990 125 V HN 0.167 nan 8.190 nan 0.000 0.477 126 K N 2.230 122.628 120.400 -0.004 0.000 2.638 126 K HA 0.181 4.501 4.320 0.000 0.000 0.207 126 K C 0.972 177.580 176.600 0.013 0.000 1.429 126 K CA 0.282 56.569 56.287 0.001 0.000 0.957 126 K CB 0.209 32.713 32.500 0.007 0.000 1.733 126 K HN 0.671 nan 8.250 nan 0.000 0.474 127 S N 1.103 116.820 115.700 0.027 0.000 2.596 127 S HA -0.015 4.455 4.470 0.000 0.000 0.260 127 S C 1.295 175.933 174.600 0.062 0.000 1.336 127 S CA 0.072 58.294 58.200 0.037 0.000 0.993 127 S CB 1.215 64.440 63.200 0.041 0.000 0.923 127 S HN 0.318 nan 8.310 nan 0.000 0.567 128 S N 0.803 116.542 115.700 0.065 0.000 2.423 128 S HA -0.136 4.334 4.470 0.000 0.000 0.231 128 S C 1.882 176.588 174.600 0.178 0.000 1.014 128 S CA 0.954 59.218 58.200 0.106 0.000 0.965 128 S CB -1.256 61.988 63.200 0.074 0.000 0.785 128 S HN 0.920 nan 8.310 nan 0.000 0.495 129 S N 2.376 118.155 115.700 0.131 0.000 2.387 129 S HA -0.090 4.380 4.470 0.000 0.000 0.226 129 S C 1.375 176.059 174.600 0.140 0.000 1.026 129 S CA 1.002 59.280 58.200 0.131 0.000 0.972 129 S CB -0.669 62.583 63.200 0.087 0.000 0.814 129 S HN 0.407 nan 8.310 nan 0.000 0.477 130 D N 1.569 122.041 120.400 0.120 0.000 2.117 130 D HA -0.007 4.633 4.640 0.000 0.000 0.197 130 D C 1.831 178.238 176.300 0.178 0.000 0.987 130 D CA 0.597 54.667 54.000 0.117 0.000 0.829 130 D CB -0.480 40.363 40.800 0.072 0.000 0.961 130 D HN 0.247 nan 8.370 nan 0.000 0.460 131 L N 0.465 121.820 121.223 0.221 0.000 2.027 131 L HA -0.088 4.252 4.340 0.000 0.000 0.206 131 L C 2.144 179.335 176.870 0.536 0.000 1.074 131 L CA 1.098 56.153 54.840 0.359 0.000 0.745 131 L CB -0.685 41.590 42.059 0.360 0.000 0.898 131 L HN 0.028 nan 8.230 nan 0.000 0.433 132 L N -0.462 121.040 121.223 0.464 0.000 2.012 132 L HA -0.213 4.127 4.340 0.000 0.000 0.210 132 L C 2.640 179.584 176.870 0.123 0.000 1.073 132 L CA 1.743 56.726 54.840 0.238 0.000 0.748 132 L CB -0.637 41.503 42.059 0.135 0.000 0.891 132 L HN 0.201 nan 8.230 nan 0.000 0.431 133 R N -1.445 119.143 120.500 0.147 0.000 2.083 133 R HA -0.215 4.125 4.340 0.000 0.000 0.237 133 R C 2.231 178.620 176.300 0.148 0.000 1.137 133 R CA 1.869 58.038 56.100 0.115 0.000 0.951 133 R CB -0.819 29.548 30.300 0.112 0.000 0.851 133 R HN 0.429 nan 8.270 nan 0.000 0.434 134 F N 0.654 120.630 119.950 0.043 0.000 2.043 134 F HA -0.291 4.236 4.527 0.000 0.000 0.297 134 F C 1.793 177.614 175.800 0.034 0.000 1.121 134 F CA 1.544 59.527 58.000 -0.029 0.000 1.199 134 F CB -0.614 38.272 39.000 -0.189 0.000 0.968 134 F HN -0.054 nan 8.300 nan 0.000 0.478 135 Y N 0.412 120.760 120.300 0.080 0.000 2.242 135 Y HA -0.185 4.365 4.550 0.000 0.000 0.291 135 Y C 2.642 178.711 175.900 0.283 0.000 1.137 135 Y CA 1.544 59.720 58.100 0.126 0.000 1.181 135 Y CB -0.934 37.596 38.460 0.117 0.000 0.989 135 Y HN 0.181 nan 8.280 nan 0.000 0.527 136 Q N -0.121 119.797 119.800 0.197 0.000 2.167 136 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 136 Q C 1.379 177.487 176.000 0.180 0.000 0.970 136 Q CA 0.980 56.881 55.803 0.163 0.000 0.855 136 Q CB -0.258 28.483 28.738 0.004 0.000 0.911 136 Q HN 0.518 nan 8.270 nan 0.000 0.438 137 N N -0.638 118.126 118.700 0.106 0.000 2.422 137 N HA -0.062 4.678 4.740 0.000 0.000 0.181 137 N C -0.016 175.501 175.510 0.011 0.000 1.080 137 N CA -0.017 53.059 53.050 0.042 0.000 0.893 137 N CB -0.014 38.489 38.487 0.025 0.000 0.973 137 N HN 0.214 nan 8.380 nan 0.000 0.456 138 W N 3.102 124.301 121.300 -0.167 0.000 2.251 138 W HA 0.095 4.755 4.660 0.000 0.000 0.327 138 W C -0.409 175.998 176.519 -0.187 0.000 1.361 138 W CA 0.046 57.246 57.345 -0.242 0.000 1.234 138 W CB 0.532 29.804 29.460 -0.314 0.000 1.212 138 W HN -0.115 nan 8.180 nan 0.000 0.557 139 Q N 8.620 127.845 119.800 -0.958 0.000 2.333 139 Q HA 0.312 4.652 4.340 0.000 0.000 0.268 139 Q C -2.005 173.117 176.000 -1.462 0.000 1.007 139 Q CA -2.031 53.164 55.803 -1.014 0.000 0.810 139 Q CB 1.400 29.821 28.738 -0.528 0.000 1.264 139 Q HN 0.405 nan 8.270 nan 0.000 0.452 140 P HA 0.059 nan 4.420 nan 0.000 0.269 140 P C -0.325 176.573 177.300 -0.671 0.000 1.215 140 P CA 0.070 62.482 63.100 -1.147 0.000 0.780 140 P CB 0.965 32.155 31.700 -0.850 0.000 0.898 141 A N 1.837 124.276 122.820 -0.635 0.000 2.169 141 A HA 0.193 4.513 4.320 0.000 0.000 0.210 141 A C 0.299 177.226 177.584 -1.095 0.000 1.168 141 A CA 0.385 51.829 52.037 -0.988 0.000 0.813 141 A CB -0.074 17.994 19.000 -1.554 0.000 0.861 141 A HN 0.575 nan 8.150 nan 0.000 0.481 142 W N -2.623 118.624 121.300 -0.088 0.000 3.042 142 W HA 0.638 5.298 4.660 0.000 0.000 0.342 142 W C -0.088 176.372 176.519 -0.098 0.000 1.240 142 W CA -1.231 56.068 57.345 -0.076 0.000 1.166 142 W CB 0.992 30.423 29.460 -0.048 0.000 1.469 142 W HN 0.096 nan 8.180 nan 0.000 0.579 143 A N 2.149 125.061 122.820 0.155 0.000 2.366 143 A HA 0.633 4.953 4.320 0.000 0.000 0.249 143 A C -2.284 175.308 177.584 0.014 0.000 1.084 143 A CA -0.941 51.119 52.037 0.040 0.000 0.794 143 A CB -0.594 18.427 19.000 0.035 0.000 1.034 143 A HN 0.132 nan 8.150 nan 0.000 0.491 144 P HA 0.293 nan 4.420 nan 0.000 0.269 144 P C 0.818 177.980 177.300 -0.230 0.000 1.209 144 P CA 1.597 64.527 63.100 -0.283 0.000 0.776 144 P CB 0.542 31.969 31.700 -0.455 0.000 0.876 145 G N 1.460 110.088 108.800 -0.287 0.000 2.179 145 G HA2 -0.271 3.689 3.960 0.000 0.000 0.257 145 G HA3 -0.271 3.689 3.960 0.000 0.000 0.257 145 G C 0.660 175.494 174.900 -0.109 0.000 1.010 145 G CA 0.775 45.853 45.100 -0.035 0.000 0.736 145 G HN 0.689 nan 8.290 nan 0.000 0.513 146 T N -5.130 109.325 114.554 -0.165 0.000 2.989 146 T HA 0.434 4.784 4.350 0.000 0.000 0.250 146 T C 0.560 175.109 174.700 -0.252 0.000 0.981 146 T CA 0.752 62.775 62.100 -0.128 0.000 0.980 146 T CB 0.653 69.492 68.868 -0.050 0.000 1.133 146 T HN 0.267 nan 8.240 nan 0.000 0.489 147 Q N 1.000 120.606 119.800 -0.323 0.000 2.372 147 Q HA 0.484 4.824 4.340 0.000 0.000 0.273 147 Q C -1.314 174.488 176.000 -0.329 0.000 1.078 147 Q CA -0.531 55.002 55.803 -0.450 0.000 0.806 147 Q CB 3.117 31.290 28.738 -0.942 0.000 1.332 147 Q HN 0.391 nan 8.270 nan 0.000 0.435 148 R N 2.248 122.585 120.500 -0.271 0.000 2.255 148 R HA 0.497 4.837 4.340 0.000 0.000 0.326 148 R C -1.189 175.090 176.300 -0.035 0.000 0.986 148 R CA -0.557 55.473 56.100 -0.116 0.000 0.847 148 R CB 0.415 30.682 30.300 -0.056 0.000 1.111 148 R HN 0.437 nan 8.270 nan 0.000 0.452 149 L N 6.203 127.476 121.223 0.083 0.000 2.388 149 L HA 0.257 4.597 4.340 0.000 0.000 0.267 149 L C -1.320 175.598 176.870 0.080 0.000 0.995 149 L CA -0.729 54.184 54.840 0.122 0.000 0.864 149 L CB 0.840 43.058 42.059 0.266 0.000 1.216 149 L HN 0.608 nan 8.230 nan 0.000 0.430 150 Y N 4.653 124.823 120.300 -0.216 0.000 2.944 150 Y HA 0.291 4.841 4.550 0.000 0.000 0.340 150 Y C 0.122 175.846 175.900 -0.293 0.000 1.275 150 Y CA 1.105 58.852 58.100 -0.588 0.000 1.590 150 Y CB 0.327 38.516 38.460 -0.451 0.000 1.218 150 Y HN 0.821 nan 8.280 nan 0.000 0.576 151 A N 5.509 127.932 122.820 -0.662 0.000 2.532 151 A HA 0.301 4.621 4.320 0.000 0.000 0.296 151 A C -0.090 177.426 177.584 -0.113 0.000 1.058 151 A CA -0.898 51.019 52.037 -0.201 0.000 0.729 151 A CB 0.846 19.873 19.000 0.046 0.000 1.285 151 A HN 0.750 nan 8.150 nan 0.000 0.396 152 N N 1.047 119.719 118.700 -0.046 0.000 2.244 152 N HA -0.134 4.606 4.740 0.000 0.000 0.183 152 N C 1.959 177.535 175.510 0.111 0.000 1.016 152 N CA 1.878 54.963 53.050 0.059 0.000 0.866 152 N CB -0.084 38.492 38.487 0.148 0.000 0.980 152 N HN 0.830 nan 8.380 nan 0.000 0.430 153 S N -1.173 114.610 115.700 0.138 0.000 2.515 153 S HA 0.050 4.520 4.470 0.000 0.000 0.231 153 S C 1.986 176.761 174.600 0.293 0.000 0.987 153 S CA 0.857 59.206 58.200 0.249 0.000 0.936 153 S CB 0.002 63.366 63.200 0.273 0.000 0.766 153 S HN 0.194 nan 8.310 nan 0.000 0.528 154 S N 1.217 117.033 115.700 0.192 0.000 2.339 154 S HA 0.245 4.715 4.470 0.000 0.000 0.213 154 S C 1.645 176.316 174.600 0.118 0.000 1.033 154 S CA 0.437 58.733 58.200 0.160 0.000 0.950 154 S CB -0.549 62.757 63.200 0.176 0.000 0.893 154 S HN 0.555 nan 8.310 nan 0.000 0.492 155 I N 1.321 121.952 120.570 0.102 0.000 2.493 155 I HA 0.011 4.181 4.170 0.000 0.000 0.254 155 I C 2.122 178.298 176.117 0.099 0.000 1.160 155 I CA 1.231 62.570 61.300 0.065 0.000 1.445 155 I CB -0.558 37.463 38.000 0.036 0.000 1.086 155 I HN 0.478 nan 8.210 nan 0.000 0.433 156 G N 0.894 109.727 108.800 0.055 0.000 2.422 156 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 156 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 156 G C 1.530 176.378 174.900 -0.086 0.000 1.146 156 G CA 0.849 45.922 45.100 -0.045 0.000 0.769 156 G HN 0.387 nan 8.290 nan 0.000 0.547 157 L N -0.344 120.872 121.223 -0.011 0.000 2.109 157 L HA 0.223 4.563 4.340 0.000 0.000 0.207 157 L C 2.388 179.196 176.870 -0.104 0.000 1.086 157 L CA 1.237 56.004 54.840 -0.123 0.000 0.760 157 L CB -0.700 41.227 42.059 -0.221 0.000 0.910 157 L HN 0.226 nan 8.230 nan 0.000 0.437 158 F N 0.399 120.270 119.950 -0.132 0.000 2.095 158 F HA -0.096 4.431 4.527 0.000 0.000 0.298 158 F C 2.155 177.877 175.800 -0.129 0.000 1.104 158 F CA 1.851 59.777 58.000 -0.124 0.000 1.232 158 F CB -0.988 37.949 39.000 -0.105 0.000 0.987 158 F HN 0.111 nan 8.300 nan 0.000 0.475 159 G N -0.296 108.387 108.800 -0.196 0.000 2.421 159 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 159 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 159 G C 1.826 176.570 174.900 -0.259 0.000 1.171 159 G CA 0.916 45.878 45.100 -0.230 0.000 0.775 159 G HN 0.652 nan 8.290 nan 0.000 0.543 160 A N 0.387 122.997 122.820 -0.350 0.000 1.933 160 A HA 0.123 4.443 4.320 0.000 0.000 0.218 160 A C 2.400 179.799 177.584 -0.308 0.000 1.175 160 A CA 1.244 53.093 52.037 -0.313 0.000 0.628 160 A CB -0.303 18.476 19.000 -0.368 0.000 0.814 160 A HN 0.367 nan 8.150 nan 0.000 0.444 161 L N -1.282 119.724 121.223 -0.362 0.000 2.270 161 L HA -0.018 4.322 4.340 0.000 0.000 0.210 161 L C 2.951 179.560 176.870 -0.435 0.000 1.104 161 L CA 0.717 55.348 54.840 -0.347 0.000 0.804 161 L CB -0.537 41.354 42.059 -0.280 0.000 0.937 161 L HN 0.405 nan 8.230 nan 0.000 0.450 162 A N 0.488 122.960 122.820 -0.579 0.000 1.972 162 A HA -0.133 4.187 4.320 0.000 0.000 0.219 162 A C 2.115 179.486 177.584 -0.355 0.000 1.169 162 A CA 1.804 53.469 52.037 -0.620 0.000 0.635 162 A CB -0.618 17.854 19.000 -0.879 0.000 0.810 162 A HN 0.335 nan 8.150 nan 0.000 0.446 163 V N -4.112 115.657 119.914 -0.242 0.000 3.649 163 V HA 0.100 4.220 4.120 0.000 0.000 0.275 163 V C 1.649 177.669 176.094 -0.123 0.000 1.281 163 V CA 0.745 62.949 62.300 -0.160 0.000 1.143 163 V CB -0.368 31.386 31.823 -0.115 0.000 0.892 163 V HN 0.198 nan 8.190 nan 0.000 0.441 164 K N 1.609 121.933 120.400 -0.126 0.000 2.009 164 K HA -0.047 4.273 4.320 0.000 0.000 0.210 164 K C 0.253 176.840 176.600 -0.023 0.000 1.049 164 K CA 2.070 58.316 56.287 -0.069 0.000 0.929 164 K CB -1.920 30.560 32.500 -0.033 0.000 0.714 164 K HN 0.455 nan 8.250 nan 0.000 0.440 165 P HA -0.161 nan 4.420 nan 0.000 0.216 165 P C 1.503 178.797 177.300 -0.010 0.000 1.154 165 P CA 1.932 65.050 63.100 0.030 0.000 0.865 165 P CB -0.112 31.621 31.700 0.054 0.000 0.789 166 S N -1.861 113.814 115.700 -0.042 0.000 2.481 166 S HA 0.066 4.536 4.470 0.000 0.000 0.231 166 S C 1.887 176.457 174.600 -0.050 0.000 0.996 166 S CA 1.024 59.193 58.200 -0.052 0.000 0.942 166 S CB -1.422 61.731 63.200 -0.078 0.000 0.768 166 S HN 0.326 nan 8.310 nan 0.000 0.520 167 G N 0.689 109.460 108.800 -0.048 0.000 2.212 167 G HA2 -0.251 3.709 3.960 0.000 0.000 0.266 167 G HA3 -0.251 3.709 3.960 0.000 0.000 0.266 167 G C 0.037 174.904 174.900 -0.056 0.000 0.978 167 G CA 0.540 45.613 45.100 -0.045 0.000 0.632 167 G HN 0.579 nan 8.290 nan 0.000 0.537 168 L N 1.524 122.704 121.223 -0.072 0.000 2.439 168 L HA 0.573 4.913 4.340 0.000 0.000 0.261 168 L C 1.501 178.323 176.870 -0.081 0.000 1.153 168 L CA -0.159 54.631 54.840 -0.083 0.000 0.808 168 L CB 1.156 43.148 42.059 -0.111 0.000 1.126 168 L HN 0.404 nan 8.230 nan 0.000 0.460 169 S N 0.129 115.784 115.700 -0.075 0.000 2.614 169 S HA 0.098 4.568 4.470 0.000 0.000 0.265 169 S C 0.805 175.370 174.600 -0.058 0.000 1.303 169 S CA -0.440 57.731 58.200 -0.048 0.000 1.000 169 S CB 0.602 63.780 63.200 -0.036 0.000 0.935 169 S HN 0.535 nan 8.310 nan 0.000 0.551 170 F N 1.290 121.149 119.950 -0.152 0.000 2.095 170 F HA -0.090 4.437 4.527 0.000 0.000 0.298 170 F C 2.495 178.181 175.800 -0.190 0.000 1.104 170 F CA 2.264 60.158 58.000 -0.178 0.000 1.232 170 F CB -0.474 38.420 39.000 -0.176 0.000 0.987 170 F HN 0.950 nan 8.300 nan 0.000 0.475 171 E N -0.551 119.603 120.200 -0.076 0.000 2.077 171 E HA -0.254 4.096 4.350 0.000 0.000 0.193 171 E C 2.165 178.601 176.600 -0.274 0.000 0.989 171 E CA 1.388 57.685 56.400 -0.172 0.000 0.800 171 E CB -0.136 29.552 29.700 -0.021 0.000 0.746 171 E HN 0.406 nan 8.360 nan 0.000 0.452 172 Q N -0.024 119.656 119.800 -0.199 0.000 2.119 172 Q HA -0.106 4.234 4.340 0.000 0.000 0.201 172 Q C 2.140 177.974 176.000 -0.276 0.000 0.972 172 Q CA 1.373 57.060 55.803 -0.193 0.000 0.847 172 Q CB -0.390 28.273 28.738 -0.124 0.000 0.903 172 Q HN 0.403 nan 8.270 nan 0.000 0.433 173 A N 0.624 123.246 122.820 -0.330 0.000 1.877 173 A HA -0.209 4.111 4.320 0.000 0.000 0.216 173 A C 2.155 179.444 177.584 -0.491 0.000 1.186 173 A CA 1.859 53.678 52.037 -0.363 0.000 0.620 173 A CB -0.473 18.304 19.000 -0.372 0.000 0.822 173 A HN 0.332 nan 8.150 nan 0.000 0.443 174 M N -0.188 118.976 119.600 -0.726 0.000 2.086 174 M HA -0.187 4.293 4.480 0.000 0.000 0.261 174 M C 2.186 177.890 176.300 -0.993 0.000 1.067 174 M CA 2.011 56.739 55.300 -0.954 0.000 1.116 174 M CB -0.632 31.222 32.600 -1.243 0.000 1.348 174 M HN 0.532 nan 8.290 nan 0.000 0.407 175 Q N -1.013 118.325 119.800 -0.769 0.000 2.002 175 Q HA -0.203 4.138 4.340 0.000 0.000 0.204 175 Q C 1.971 177.795 176.000 -0.293 0.000 0.988 175 Q CA 2.601 58.122 55.803 -0.470 0.000 0.843 175 Q CB -0.628 27.943 28.738 -0.278 0.000 0.908 175 Q HN 0.779 nan 8.270 nan 0.000 0.420 176 T N -1.944 112.457 114.554 -0.255 0.000 2.985 176 T HA -0.005 4.346 4.350 0.000 0.000 0.266 176 T C 1.665 176.275 174.700 -0.150 0.000 1.076 176 T CA 0.643 62.642 62.100 -0.168 0.000 1.135 176 T CB 0.035 68.820 68.868 -0.139 0.000 0.890 176 T HN 0.149 nan 8.240 nan 0.000 0.480 177 R N -0.163 120.219 120.500 -0.197 0.000 2.282 177 R HA 0.387 4.727 4.340 0.000 0.000 0.195 177 R C 1.501 177.742 176.300 -0.099 0.000 0.909 177 R CA 0.207 56.224 56.100 -0.139 0.000 1.039 177 R CB 0.482 30.691 30.300 -0.152 0.000 1.015 177 R HN 0.304 nan 8.270 nan 0.000 0.513 178 V N -0.978 118.842 119.914 -0.157 0.000 3.134 178 V HA 0.027 4.147 4.120 0.000 0.000 0.222 178 V C 1.417 177.586 176.094 0.124 0.000 1.247 178 V CA 0.411 62.700 62.300 -0.018 0.000 1.281 178 V CB -0.349 31.423 31.823 -0.084 0.000 1.169 178 V HN -0.028 nan 8.190 nan 0.000 0.512 179 F N 1.659 121.516 119.950 -0.156 0.000 2.069 179 F HA -0.172 4.355 4.527 0.000 0.000 0.298 179 F C 2.636 178.339 175.800 -0.162 0.000 1.113 179 F CA 1.608 59.482 58.000 -0.210 0.000 1.214 179 F CB -1.263 37.508 39.000 -0.381 0.000 0.978 179 F HN 0.220 nan 8.300 nan 0.000 0.474 180 Q N -0.343 119.477 119.800 0.033 0.000 2.046 180 Q HA -0.144 4.197 4.340 0.000 0.000 0.200 180 Q C -0.361 175.637 176.000 -0.005 0.000 0.975 180 Q CA 1.640 57.427 55.803 -0.027 0.000 0.836 180 Q CB -1.480 27.220 28.738 -0.063 0.000 0.896 180 Q HN 0.290 nan 8.270 nan 0.000 0.428 181 P HA -0.130 nan 4.420 nan 0.000 0.220 181 P C 0.648 177.975 177.300 0.045 0.000 1.148 181 P CA 1.153 64.265 63.100 0.020 0.000 0.803 181 P CB 0.084 31.798 31.700 0.023 0.000 0.782 182 L N -1.519 119.755 121.223 0.085 0.000 2.607 182 L HA 0.185 4.525 4.340 0.000 0.000 0.228 182 L C 0.383 177.296 176.870 0.071 0.000 1.123 182 L CA 0.075 54.981 54.840 0.111 0.000 0.890 182 L CB -0.507 41.689 42.059 0.229 0.000 1.103 182 L HN -0.073 nan 8.230 nan 0.000 0.468 183 K N 0.787 121.202 120.400 0.026 0.000 3.117 183 K HA -0.161 4.159 4.320 0.000 0.000 0.269 183 K C -0.257 176.318 176.600 -0.041 0.000 1.098 183 K CA 0.365 56.642 56.287 -0.015 0.000 0.785 183 K CB -1.791 30.707 32.500 -0.002 0.000 1.242 183 K HN 0.310 nan 8.250 nan 0.000 0.491 184 L N 1.291 122.471 121.223 -0.072 0.000 2.422 184 L HA 0.143 4.483 4.340 0.000 0.000 0.256 184 L C 0.957 177.630 176.870 -0.327 0.000 1.202 184 L CA -0.535 54.202 54.840 -0.170 0.000 1.119 184 L CB 0.065 41.975 42.059 -0.249 0.000 1.383 184 L HN 0.144 nan 8.230 nan 0.000 0.411 185 N N 0.368 118.887 118.700 -0.301 0.000 2.521 185 N HA -0.045 4.695 4.740 0.000 0.000 0.188 185 N C 0.600 175.673 175.510 -0.729 0.000 1.146 185 N CA 0.660 53.419 53.050 -0.485 0.000 0.893 185 N CB 0.166 38.391 38.487 -0.437 0.000 0.975 185 N HN 0.525 nan 8.380 nan 0.000 0.451 186 H N -0.839 118.104 119.070 -0.212 0.000 2.651 186 H HA 0.255 4.811 4.556 0.000 0.000 0.241 186 H C -0.340 174.851 175.328 -0.229 0.000 1.225 186 H CA -0.123 55.870 56.048 -0.091 0.000 0.942 186 H CB 0.415 30.169 29.762 -0.013 0.000 1.996 186 H HN -0.127 nan 8.280 nan 0.000 0.600 187 T N 0.868 115.068 114.554 -0.591 0.000 2.792 187 T HA 0.363 4.713 4.350 0.000 0.000 0.280 187 T C -0.674 173.375 174.700 -1.084 0.000 0.990 187 T CA -0.436 61.165 62.100 -0.831 0.000 0.960 187 T CB 1.426 69.521 68.868 -1.288 0.000 0.939 187 T HN 0.219 nan 8.240 nan 0.000 0.439 188 W N 1.564 122.593 121.300 -0.451 0.000 3.083 188 W HA 0.572 5.233 4.660 0.000 0.000 0.333 188 W C 0.515 176.927 176.519 -0.179 0.000 1.217 188 W CA -0.808 56.397 57.345 -0.232 0.000 1.170 188 W CB 1.141 30.462 29.460 -0.232 0.000 1.437 188 W HN 0.481 nan 8.180 nan 0.000 0.557 189 I N 0.945 121.640 120.570 0.210 0.000 2.810 189 I HA 0.057 4.227 4.170 0.000 0.000 0.262 189 I C -0.079 176.065 176.117 0.045 0.000 1.131 189 I CA 0.519 61.871 61.300 0.087 0.000 1.453 189 I CB 0.014 38.072 38.000 0.097 0.000 1.161 189 I HN 0.313 nan 8.210 nan 0.000 0.444 190 N N 0.456 119.220 118.700 0.106 0.000 2.479 190 N HA 0.290 5.030 4.740 0.000 0.000 0.261 190 N C -0.895 174.530 175.510 -0.142 0.000 0.979 190 N CA -0.296 52.743 53.050 -0.017 0.000 0.930 190 N CB 2.210 40.693 38.487 -0.008 0.000 1.172 190 N HN -0.194 nan 8.380 nan 0.000 0.499 191 V N 4.530 124.264 119.914 -0.299 0.000 2.450 191 V HA 0.127 4.247 4.120 0.000 0.000 0.281 191 V C -1.399 174.357 176.094 -0.563 0.000 1.019 191 V CA -0.934 61.040 62.300 -0.544 0.000 1.062 191 V CB -0.283 31.175 31.823 -0.608 0.000 0.979 191 V HN 0.599 nan 8.190 nan 0.000 0.477 192 P HA 0.234 nan 4.420 nan 0.000 0.274 192 P C -2.294 174.772 177.300 -0.391 0.000 1.246 192 P CA -1.735 60.986 63.100 -0.631 0.000 0.795 192 P CB 0.539 31.709 31.700 -0.884 0.000 1.006 193 P HA -0.206 nan 4.420 nan 0.000 0.217 193 P C 1.490 178.707 177.300 -0.139 0.000 1.151 193 P CA 2.305 65.312 63.100 -0.155 0.000 0.849 193 P CB -0.455 31.178 31.700 -0.112 0.000 0.787 194 A N -0.377 122.347 122.820 -0.160 0.000 2.019 194 A HA -0.176 4.144 4.320 0.000 0.000 0.219 194 A C 1.986 179.512 177.584 -0.096 0.000 1.164 194 A CA 1.430 53.403 52.037 -0.106 0.000 0.644 194 A CB -0.717 18.231 19.000 -0.086 0.000 0.805 194 A HN 0.126 nan 8.150 nan 0.000 0.449 195 E N -0.658 119.440 120.200 -0.169 0.000 2.481 195 E HA 0.007 4.357 4.350 0.000 0.000 0.198 195 E C 1.294 177.832 176.600 -0.103 0.000 1.027 195 E CA 0.045 56.367 56.400 -0.130 0.000 0.900 195 E CB 0.045 29.616 29.700 -0.214 0.000 0.993 195 E HN 0.735 nan 8.360 nan 0.000 0.482 196 E N 1.426 121.568 120.200 -0.097 0.000 2.130 196 E HA -0.225 4.125 4.350 0.000 0.000 0.196 196 E C 1.961 178.562 176.600 0.003 0.000 0.998 196 E CA 1.510 57.891 56.400 -0.031 0.000 0.806 196 E CB -0.034 29.646 29.700 -0.034 0.000 0.738 196 E HN 0.236 nan 8.360 nan 0.000 0.459 197 K N 0.055 120.453 120.400 -0.004 0.000 2.283 197 K HA -0.089 4.231 4.320 0.000 0.000 0.202 197 K C 1.034 177.644 176.600 0.018 0.000 1.048 197 K CA 1.572 57.867 56.287 0.013 0.000 0.948 197 K CB -0.111 32.395 32.500 0.010 0.000 0.742 197 K HN 0.074 nan 8.250 nan 0.000 0.458 198 N N -0.300 118.407 118.700 0.012 0.000 2.280 198 N HA -0.016 4.724 4.740 0.000 0.000 0.192 198 N C -0.728 174.807 175.510 0.041 0.000 1.109 198 N CA -0.346 52.712 53.050 0.013 0.000 0.855 198 N CB 0.208 38.689 38.487 -0.011 0.000 0.974 198 N HN 0.202 nan 8.380 nan 0.000 0.482 199 Y N 2.368 122.581 120.300 -0.145 0.000 2.539 199 Y HA 0.304 4.854 4.550 0.000 0.000 0.352 199 Y C 0.319 176.113 175.900 -0.177 0.000 1.004 199 Y CA -1.386 56.591 58.100 -0.205 0.000 1.278 199 Y CB 0.180 38.456 38.460 -0.308 0.000 1.136 199 Y HN -0.003 nan 8.280 nan 0.000 0.528 200 A N 6.209 129.084 122.820 0.092 0.000 2.466 200 A HA 0.014 4.334 4.320 0.000 0.000 0.238 200 A C -1.027 176.593 177.584 0.059 0.000 1.074 200 A CA -0.187 51.865 52.037 0.026 0.000 0.774 200 A CB 0.292 19.228 19.000 -0.106 0.000 1.015 200 A HN 0.941 nan 8.150 nan 0.000 0.498 201 W N 0.397 121.696 121.300 -0.002 0.000 2.313 201 W HA 0.499 5.159 4.660 0.000 0.000 0.328 201 W C 0.838 177.061 176.519 -0.494 0.000 1.197 201 W CA 0.351 57.492 57.345 -0.340 0.000 1.235 201 W CB 1.330 30.453 29.460 -0.561 0.000 1.158 201 W HN 0.930 nan 8.180 nan 0.000 0.578 202 G N 1.003 109.605 108.800 -0.329 0.000 2.462 202 G HA2 0.551 4.511 3.960 0.000 0.000 0.319 202 G HA3 0.551 4.511 3.960 0.000 0.000 0.319 202 G C -2.217 172.264 174.900 -0.697 0.000 1.171 202 G CA -0.496 44.124 45.100 -0.800 0.000 0.920 202 G HN 0.421 nan 8.290 nan 0.000 0.499 203 Y N -0.306 119.889 120.300 -0.175 0.000 2.361 203 Y HA 0.561 5.111 4.550 0.000 0.000 0.337 203 Y C 0.411 176.291 175.900 -0.033 0.000 0.965 203 Y CA -0.801 57.256 58.100 -0.071 0.000 1.091 203 Y CB 2.372 40.802 38.460 -0.051 0.000 1.182 203 Y HN 0.460 nan 8.280 nan 0.000 0.450 204 R N 2.242 122.792 120.500 0.085 0.000 2.483 204 R HA 0.509 4.849 4.340 0.000 0.000 0.303 204 R C -0.058 176.281 176.300 0.065 0.000 0.987 204 R CA 0.442 56.584 56.100 0.070 0.000 0.881 204 R CB 1.226 31.553 30.300 0.045 0.000 1.177 204 R HN 0.926 nan 8.270 nan 0.000 0.451 205 E N 1.986 122.224 120.200 0.063 0.000 2.360 205 E HA -0.229 4.121 4.350 0.000 0.000 0.238 205 E C 0.762 177.391 176.600 0.049 0.000 1.186 205 E CA 1.601 58.027 56.400 0.044 0.000 0.719 205 E CB -2.433 27.284 29.700 0.029 0.000 1.236 205 E HN 1.474 nan 8.360 nan 0.000 0.386 206 G N -3.404 105.446 108.800 0.084 0.000 2.184 206 G HA2 0.151 4.111 3.960 0.000 0.000 0.264 206 G HA3 0.151 4.111 3.960 0.000 0.000 0.264 206 G C 0.762 175.749 174.900 0.146 0.000 0.975 206 G CA 1.809 46.967 45.100 0.097 0.000 0.642 206 G HN 2.209 nan 8.290 nan 0.000 0.536 207 K N -0.118 120.336 120.400 0.091 0.000 2.130 207 K HA 0.941 5.261 4.320 0.000 0.000 0.268 207 K C 0.327 176.847 176.600 -0.133 0.000 0.983 207 K CA 0.377 56.658 56.287 -0.010 0.000 0.893 207 K CB 1.305 33.773 32.500 -0.053 0.000 1.066 207 K HN 1.890 nan 8.250 nan 0.000 0.450 208 A N 1.374 123.986 122.820 -0.346 0.000 2.404 208 A HA 0.553 4.873 4.320 0.000 0.000 0.273 208 A C 0.291 177.581 177.584 -0.491 0.000 1.144 208 A CA 0.188 51.774 52.037 -0.752 0.000 0.806 208 A CB -0.756 17.567 19.000 -1.128 0.000 1.080 208 A HN 1.834 nan 8.150 nan 0.000 0.509 209 V N 1.024 120.800 119.914 -0.230 0.000 3.007 209 V HA 0.705 4.825 4.120 0.000 0.000 0.311 209 V C -0.714 175.496 176.094 0.193 0.000 1.120 209 V CA -0.837 61.484 62.300 0.035 0.000 0.980 209 V CB 1.330 33.169 31.823 0.027 0.000 1.033 209 V HN 0.938 nan 8.190 nan 0.000 0.429 210 H N 0.503 119.737 119.070 0.274 0.000 2.679 210 H HA 0.685 5.241 4.556 0.000 0.000 0.367 210 H C -0.486 174.955 175.328 0.188 0.000 1.162 210 H CA -0.926 55.221 56.048 0.164 0.000 1.181 210 H CB 2.269 31.996 29.762 -0.058 0.000 1.693 210 H HN 0.811 nan 8.280 nan 0.000 0.538 211 V N 2.288 122.409 119.914 0.345 0.000 2.673 211 V HA -0.008 4.112 4.120 0.000 0.000 0.303 211 V C -0.151 176.076 176.094 0.221 0.000 1.046 211 V CA 0.363 62.821 62.300 0.264 0.000 1.126 211 V CB 0.802 32.788 31.823 0.272 0.000 0.934 211 V HN 0.740 nan 8.190 nan 0.000 0.487 212 S N 8.079 123.893 115.700 0.191 0.000 2.586 212 S HA 0.462 4.933 4.470 0.000 0.000 0.274 212 S C -2.232 172.462 174.600 0.157 0.000 1.281 212 S CA -0.695 57.597 58.200 0.154 0.000 1.035 212 S CB 1.102 64.373 63.200 0.119 0.000 0.962 212 S HN 0.902 nan 8.310 nan 0.000 0.512 213 P HA 0.401 nan 4.420 nan 0.000 0.269 213 P C -0.240 177.110 177.300 0.082 0.000 1.209 213 P CA -0.214 62.932 63.100 0.077 0.000 0.776 213 P CB 0.539 32.267 31.700 0.046 0.000 0.876 214 G N -0.057 108.777 108.800 0.057 0.000 2.673 214 G HA2 0.526 4.486 3.960 0.000 0.000 0.292 214 G HA3 0.526 4.486 3.960 0.000 0.000 0.292 214 G C -1.281 173.610 174.900 -0.014 0.000 1.450 214 G CA -0.436 44.699 45.100 0.059 0.000 0.837 214 G HN 0.557 nan 8.290 nan 0.000 0.505 215 A N 0.512 123.319 122.820 -0.023 0.000 2.546 215 A HA 0.524 4.845 4.320 0.000 0.000 0.243 215 A C 1.473 179.003 177.584 -0.090 0.000 1.063 215 A CA 0.674 52.678 52.037 -0.057 0.000 0.757 215 A CB -0.424 18.543 19.000 -0.055 0.000 0.991 215 A HN 1.769 nan 8.150 nan 0.000 0.503 216 L N 0.370 121.508 121.223 -0.142 0.000 4.429 216 L HA -0.333 4.007 4.340 0.000 0.000 0.422 216 L C 1.317 177.978 176.870 -0.348 0.000 1.149 216 L CA 0.762 55.471 54.840 -0.218 0.000 0.972 216 L CB -1.814 40.173 42.059 -0.120 0.000 2.059 216 L HN 1.009 nan 8.230 nan 0.000 0.870 217 D N 0.439 120.593 120.400 -0.410 0.000 2.097 217 D HA -0.165 4.476 4.640 0.000 0.000 0.195 217 D C 1.969 177.866 176.300 -0.672 0.000 0.989 217 D CA 1.520 55.015 54.000 -0.843 0.000 0.827 217 D CB -0.168 40.283 40.800 -0.581 0.000 0.966 217 D HN 0.439 nan 8.370 nan 0.000 0.456 218 A N 0.757 123.342 122.820 -0.391 0.000 1.917 218 A HA -0.252 4.068 4.320 0.000 0.000 0.219 218 A C 2.092 179.479 177.584 -0.329 0.000 1.182 218 A CA 2.130 54.019 52.037 -0.246 0.000 0.633 218 A CB -0.710 18.222 19.000 -0.114 0.000 0.819 218 A HN 0.259 nan 8.150 nan 0.000 0.448 219 E N -0.696 119.122 120.200 -0.636 0.000 2.216 219 E HA 0.213 4.563 4.350 0.000 0.000 0.192 219 E C 1.867 178.320 176.600 -0.244 0.000 0.988 219 E CA 1.042 57.011 56.400 -0.717 0.000 0.834 219 E CB -0.164 29.010 29.700 -0.876 0.000 0.772 219 E HN 0.598 nan 8.360 nan 0.000 0.479 220 A N -0.342 122.343 122.820 -0.224 0.000 2.108 220 A HA 0.134 4.454 4.320 0.000 0.000 0.206 220 A C 0.496 178.179 177.584 0.166 0.000 1.212 220 A CA 0.320 52.356 52.037 -0.001 0.000 0.843 220 A CB 0.044 19.100 19.000 0.092 0.000 0.902 220 A HN 0.374 nan 8.150 nan 0.000 0.477 221 Y N -4.167 116.157 120.300 0.041 0.000 3.141 221 Y HA 0.486 5.036 4.550 0.000 0.000 0.226 221 Y C 0.692 176.621 175.900 0.049 0.000 0.951 221 Y CA -0.484 57.657 58.100 0.068 0.000 1.156 221 Y CB -0.395 38.112 38.460 0.079 0.000 1.256 221 Y HN -0.025 nan 8.280 nan 0.000 0.679 222 G N 0.491 109.244 108.800 -0.078 0.000 3.126 222 G HA2 0.322 4.283 3.960 0.000 0.000 0.224 222 G HA3 0.322 4.283 3.960 0.000 0.000 0.224 222 G C -0.157 174.730 174.900 -0.021 0.000 1.142 222 G CA 0.107 45.167 45.100 -0.066 0.000 0.759 222 G HN 0.144 nan 8.290 nan 0.000 0.550 223 V N 0.781 120.688 119.914 -0.012 0.000 2.583 223 V HA 0.389 4.509 4.120 0.000 0.000 0.287 223 V C -0.269 175.748 176.094 -0.130 0.000 1.051 223 V CA -0.367 61.868 62.300 -0.108 0.000 1.010 223 V CB 1.275 32.952 31.823 -0.242 0.000 0.988 223 V HN 0.110 nan 8.190 nan 0.000 0.478 224 K N 2.628 122.909 120.400 -0.198 0.000 2.270 224 K HA 0.791 5.111 4.320 0.000 0.000 0.255 224 K C -0.486 175.991 176.600 -0.205 0.000 0.936 224 K CA -0.172 55.984 56.287 -0.219 0.000 0.809 224 K CB 2.014 34.276 32.500 -0.397 0.000 1.131 224 K HN 0.719 nan 8.250 nan 0.000 0.427 225 S N 0.207 115.853 115.700 -0.090 0.000 2.625 225 S HA 0.615 5.085 4.470 0.000 0.000 0.271 225 S C -1.167 173.506 174.600 0.122 0.000 1.161 225 S CA -0.716 57.446 58.200 -0.062 0.000 0.820 225 S CB 0.963 64.087 63.200 -0.127 0.000 1.137 225 S HN 0.678 nan 8.310 nan 0.000 0.470 226 T N 0.200 114.828 114.554 0.122 0.000 2.912 226 T HA 0.517 4.867 4.350 0.000 0.000 0.280 226 T C 1.254 176.080 174.700 0.210 0.000 0.989 226 T CA -0.531 61.692 62.100 0.205 0.000 0.995 226 T CB 0.815 69.748 68.868 0.107 0.000 1.077 226 T HN 0.459 nan 8.240 nan 0.000 0.531 227 I N 0.676 121.388 120.570 0.236 0.000 2.493 227 I HA -0.054 4.116 4.170 0.000 0.000 0.254 227 I C 2.310 178.593 176.117 0.276 0.000 1.160 227 I CA 1.453 62.901 61.300 0.247 0.000 1.445 227 I CB -0.522 37.648 38.000 0.283 0.000 1.086 227 I HN 0.787 nan 8.210 nan 0.000 0.433 228 E N -0.054 120.219 120.200 0.122 0.000 2.072 228 E HA -0.198 4.152 4.350 0.000 0.000 0.190 228 E C 1.671 178.379 176.600 0.181 0.000 0.982 228 E CA 1.315 57.779 56.400 0.108 0.000 0.803 228 E CB -0.192 29.437 29.700 -0.117 0.000 0.755 228 E HN 0.486 nan 8.360 nan 0.000 0.453 229 D N 0.452 120.933 120.400 0.135 0.000 2.117 229 D HA -0.124 4.516 4.640 0.000 0.000 0.197 229 D C 1.861 178.286 176.300 0.208 0.000 0.987 229 D CA 0.957 55.028 54.000 0.118 0.000 0.829 229 D CB -0.044 40.763 40.800 0.012 0.000 0.961 229 D HN 0.061 nan 8.370 nan 0.000 0.460 230 M N 0.264 120.006 119.600 0.238 0.000 2.229 230 M HA -0.009 4.471 4.480 0.000 0.000 0.264 230 M C 2.169 178.660 176.300 0.319 0.000 1.063 230 M CA 0.619 56.119 55.300 0.333 0.000 1.114 230 M CB -0.995 31.784 32.600 0.298 0.000 1.387 230 M HN -0.027 nan 8.290 nan 0.000 0.420 231 A N 0.031 123.014 122.820 0.273 0.000 1.930 231 A HA -0.139 4.181 4.320 0.000 0.000 0.217 231 A C 2.363 180.029 177.584 0.136 0.000 1.175 231 A CA 1.292 53.445 52.037 0.193 0.000 0.627 231 A CB -0.504 18.635 19.000 0.233 0.000 0.815 231 A HN 0.426 nan 8.150 nan 0.000 0.443 232 R N -1.619 118.988 120.500 0.179 0.000 2.075 232 R HA -0.152 4.188 4.340 0.000 0.000 0.232 232 R C 2.159 178.566 176.300 0.178 0.000 1.126 232 R CA 1.354 57.537 56.100 0.138 0.000 0.963 232 R CB -0.388 30.000 30.300 0.147 0.000 0.858 232 R HN 0.861 nan 8.270 nan 0.000 0.435 233 W N 0.994 122.325 121.300 0.051 0.000 2.338 233 W HA -0.224 4.436 4.660 0.000 0.000 0.304 233 W C 1.436 177.912 176.519 -0.071 0.000 1.212 233 W CA 1.220 58.594 57.345 0.049 0.000 1.264 233 W CB 0.037 29.583 29.460 0.143 0.000 1.142 233 W HN -0.093 nan 8.180 nan 0.000 0.512 234 V N 1.199 121.051 119.914 -0.104 0.000 2.427 234 V HA -0.317 3.803 4.120 0.000 0.000 0.248 234 V C 2.350 178.129 176.094 -0.525 0.000 1.051 234 V CA 2.139 64.179 62.300 -0.433 0.000 1.048 234 V CB -0.914 30.783 31.823 -0.210 0.000 0.666 234 V HN 0.244 nan 8.190 nan 0.000 0.456 235 Q N -0.141 119.490 119.800 -0.282 0.000 2.124 235 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 235 Q C 2.463 178.283 176.000 -0.301 0.000 0.977 235 Q CA 1.894 57.542 55.803 -0.258 0.000 0.850 235 Q CB -0.259 28.397 28.738 -0.136 0.000 0.901 235 Q HN 0.615 nan 8.270 nan 0.000 0.429 236 S N 1.055 116.584 115.700 -0.284 0.000 2.368 236 S HA -0.069 4.401 4.470 0.000 0.000 0.224 236 S C 1.545 175.885 174.600 -0.432 0.000 1.029 236 S CA 0.867 58.906 58.200 -0.269 0.000 0.988 236 S CB -0.164 62.947 63.200 -0.148 0.000 0.838 236 S HN 0.380 nan 8.310 nan 0.000 0.462 237 N N 1.173 119.439 118.700 -0.724 0.000 2.409 237 N HA 0.121 4.861 4.740 0.000 0.000 0.179 237 N C 1.521 176.514 175.510 -0.861 0.000 1.032 237 N CA 0.497 53.018 53.050 -0.882 0.000 0.898 237 N CB -0.121 37.579 38.487 -1.312 0.000 0.971 237 N HN 0.343 nan 8.380 nan 0.000 0.441 238 L N 0.469 121.203 121.223 -0.816 0.000 2.131 238 L HA -0.009 4.331 4.340 0.000 0.000 0.206 238 L C 0.336 177.024 176.870 -0.304 0.000 1.087 238 L CA 1.090 55.608 54.840 -0.537 0.000 0.767 238 L CB 0.157 41.948 42.059 -0.447 0.000 0.917 238 L HN -0.054 nan 8.230 nan 0.000 0.441 239 K N -0.311 119.924 120.400 -0.275 0.000 2.827 239 K HA 0.202 4.522 4.320 0.000 0.000 0.186 239 K C -2.005 174.499 176.600 -0.161 0.000 1.093 239 K CA -1.137 55.040 56.287 -0.183 0.000 0.993 239 K CB 1.378 33.787 32.500 -0.151 0.000 1.199 239 K HN -0.136 nan 8.250 nan 0.000 0.598 240 P HA -0.156 nan 4.420 nan 0.000 0.220 240 P C 1.051 178.304 177.300 -0.078 0.000 1.148 240 P CA 0.908 63.938 63.100 -0.118 0.000 0.803 240 P CB 0.257 31.893 31.700 -0.106 0.000 0.782 241 L N -0.392 120.786 121.223 -0.076 0.000 2.549 241 L HA -0.089 4.252 4.340 0.000 0.000 0.230 241 L C 1.437 178.275 176.870 -0.053 0.000 1.162 241 L CA 1.035 55.841 54.840 -0.057 0.000 0.834 241 L CB -0.819 41.206 42.059 -0.056 0.000 0.947 241 L HN -0.079 nan 8.230 nan 0.000 0.452 242 D N -0.475 119.887 120.400 -0.062 0.000 2.339 242 D HA 0.110 4.750 4.640 0.000 0.000 0.217 242 D C 0.710 176.985 176.300 -0.041 0.000 1.050 242 D CA 0.265 54.233 54.000 -0.054 0.000 0.856 242 D CB 0.421 41.182 40.800 -0.066 0.000 0.922 242 D HN 0.044 nan 8.370 nan 0.000 0.518 243 I N 1.285 121.832 120.570 -0.038 0.000 2.416 243 I HA 0.057 4.228 4.170 0.000 0.000 0.288 243 I C 1.828 177.936 176.117 -0.015 0.000 1.051 243 I CA -0.102 61.185 61.300 -0.021 0.000 1.375 243 I CB -0.330 37.662 38.000 -0.014 0.000 1.407 243 I HN -0.053 nan 8.210 nan 0.000 0.516 244 N N 5.635 124.330 118.700 -0.009 0.000 2.142 244 N HA -0.137 4.603 4.740 0.000 0.000 0.186 244 N C 0.712 176.219 175.510 -0.006 0.000 1.023 244 N CA 0.701 53.746 53.050 -0.009 0.000 0.852 244 N CB -0.388 nan 38.487 nan 0.000 0.998 244 N HN 0.675 nan 8.380 nan 0.000 0.424 245 E N 0.315 120.514 120.200 -0.001 0.000 2.328 245 E HA 0.402 4.752 4.350 0.000 0.000 0.265 245 E C 1.499 178.099 176.600 0.001 0.000 1.057 245 E CA 0.398 56.798 56.400 0.000 0.000 0.916 245 E CB 0.960 30.663 29.700 0.005 0.000 0.993 245 E HN 0.606 nan 8.360 nan 0.000 0.446 246 K N 2.425 122.824 120.400 -0.002 0.000 2.032 246 K HA -0.183 4.137 4.320 0.000 0.000 0.209 246 K C 2.009 178.612 176.600 0.005 0.000 1.048 246 K CA 2.244 58.531 56.287 -0.001 0.000 0.927 246 K CB -1.449 31.050 32.500 -0.003 0.000 0.712 246 K HN 0.680 nan 8.250 nan 0.000 0.441 247 T N -0.928 113.630 114.554 0.006 0.000 2.904 247 T HA -0.044 4.306 4.350 0.000 0.000 0.267 247 T C 1.968 176.682 174.700 0.024 0.000 1.059 247 T CA 1.262 63.370 62.100 0.012 0.000 1.137 247 T CB -0.149 68.723 68.868 0.006 0.000 0.879 247 T HN 0.211 nan 8.240 nan 0.000 0.467 248 L N 1.090 122.329 121.223 0.026 0.000 2.109 248 L HA 0.154 4.494 4.340 0.000 0.000 0.207 248 L C 2.754 179.650 176.870 0.043 0.000 1.086 248 L CA 1.666 56.535 54.840 0.047 0.000 0.760 248 L CB -1.020 41.072 42.059 0.054 0.000 0.910 248 L HN 0.370 nan 8.230 nan 0.000 0.437 249 Q N -0.887 118.925 119.800 0.020 0.000 2.096 249 Q HA -0.279 4.061 4.340 0.000 0.000 0.204 249 Q C 2.165 178.170 176.000 0.008 0.000 0.982 249 Q CA 2.216 58.020 55.803 0.003 0.000 0.850 249 Q CB -0.089 28.644 28.738 -0.008 0.000 0.901 249 Q HN 0.666 nan 8.270 nan 0.000 0.422 250 Q N -0.899 118.912 119.800 0.018 0.000 2.123 250 Q HA -0.060 4.280 4.340 0.000 0.000 0.199 250 Q C 2.043 178.074 176.000 0.052 0.000 0.966 250 Q CA 1.044 56.863 55.803 0.026 0.000 0.845 250 Q CB -0.148 28.604 28.738 0.024 0.000 0.907 250 Q HN 0.562 nan 8.270 nan 0.000 0.439 251 G N 0.993 109.831 108.800 0.065 0.000 2.442 251 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 251 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 251 G C 1.390 176.365 174.900 0.125 0.000 1.141 251 G CA 0.621 45.781 45.100 0.099 0.000 0.763 251 G HN 0.227 nan 8.290 nan 0.000 0.554 252 I N -0.041 120.585 120.570 0.094 0.000 2.252 252 I HA -0.169 4.001 4.170 0.000 0.000 0.245 252 I C 2.982 179.137 176.117 0.064 0.000 1.102 252 I CA 1.056 62.402 61.300 0.077 0.000 1.385 252 I CB -0.208 37.781 38.000 -0.018 0.000 1.064 252 I HN 0.211 nan 8.210 nan 0.000 0.414 253 Q N 0.375 120.195 119.800 0.034 0.000 2.167 253 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 253 Q C 2.347 178.382 176.000 0.058 0.000 0.970 253 Q CA 1.209 57.023 55.803 0.019 0.000 0.855 253 Q CB 0.013 28.749 28.738 -0.004 0.000 0.911 253 Q HN 0.525 nan 8.270 nan 0.000 0.438 254 L N -0.220 121.064 121.223 0.102 0.000 2.056 254 L HA -0.121 4.220 4.340 0.000 0.000 0.207 254 L C 2.387 179.413 176.870 0.259 0.000 1.078 254 L CA 0.834 55.771 54.840 0.163 0.000 0.749 254 L CB -0.500 41.661 42.059 0.170 0.000 0.901 254 L HN 0.206 nan 8.230 nan 0.000 0.433 255 A N -0.774 122.201 122.820 0.258 0.000 2.070 255 A HA -0.196 4.124 4.320 0.000 0.000 0.220 255 A C 1.990 179.814 177.584 0.399 0.000 1.159 255 A CA 1.266 53.511 52.037 0.347 0.000 0.656 255 A CB -0.276 18.961 19.000 0.395 0.000 0.800 255 A HN 0.521 nan 8.150 nan 0.000 0.453 256 Q N -0.092 119.857 119.800 0.249 0.000 2.247 256 Q HA 0.195 4.535 4.340 0.000 0.000 0.204 256 Q C -0.198 175.830 176.000 0.046 0.000 0.872 256 Q CA -0.317 55.572 55.803 0.144 0.000 0.951 256 Q CB 0.489 29.230 28.738 0.006 0.000 1.099 256 Q HN 0.492 nan 8.270 nan 0.000 0.501 257 S N 0.938 116.647 115.700 0.016 0.000 2.592 257 S HA 0.258 4.729 4.470 0.000 0.000 0.271 257 S C 0.079 174.480 174.600 -0.332 0.000 1.326 257 S CA -0.298 57.759 58.200 -0.238 0.000 1.024 257 S CB 0.656 63.595 63.200 -0.435 0.000 0.921 257 S HN 0.228 nan 8.310 nan 0.000 0.527 258 R N 1.519 121.795 120.500 -0.373 0.000 2.204 258 R HA 0.231 4.572 4.340 0.000 0.000 0.341 258 R C -0.320 175.781 176.300 -0.332 0.000 1.035 258 R CA -0.115 55.859 56.100 -0.209 0.000 0.887 258 R CB 0.299 30.467 30.300 -0.220 0.000 1.114 258 R HN 0.682 nan 8.270 nan 0.000 0.473 259 Y N 0.735 121.028 120.300 -0.011 0.000 2.389 259 Y HA 0.103 4.653 4.550 0.000 0.000 0.292 259 Y C 0.224 175.825 175.900 -0.498 0.000 1.117 259 Y CA 0.523 58.455 58.100 -0.280 0.000 1.195 259 Y CB 0.447 38.736 38.460 -0.284 0.000 1.076 259 Y HN 0.454 nan 8.280 nan 0.000 0.548 260 W N -0.252 121.217 121.300 0.282 0.000 3.033 260 W HA 0.565 5.225 4.660 0.000 0.000 0.336 260 W C -0.850 175.783 176.519 0.189 0.000 1.173 260 W CA -1.003 56.465 57.345 0.205 0.000 1.185 260 W CB 1.169 30.735 29.460 0.176 0.000 1.425 260 W HN -0.442 nan 8.180 nan 0.000 0.536 261 Q N 1.312 121.324 119.800 0.352 0.000 2.337 261 Q HA 0.630 4.970 4.340 0.000 0.000 0.270 261 Q C -1.284 174.742 176.000 0.045 0.000 1.043 261 Q CA -0.458 55.391 55.803 0.078 0.000 0.794 261 Q CB 2.366 31.097 28.738 -0.012 0.000 1.281 261 Q HN 0.432 nan 8.270 nan 0.000 0.446 262 T N 2.898 117.423 114.554 -0.047 0.000 2.985 262 T HA 0.605 4.955 4.350 0.000 0.000 0.315 262 T C 0.317 174.962 174.700 -0.092 0.000 1.001 262 T CA 0.748 62.825 62.100 -0.038 0.000 1.016 262 T CB 0.466 69.331 68.868 -0.005 0.000 0.993 262 T HN 1.073 nan 8.240 nan 0.000 0.454 263 G N 5.516 114.260 108.800 -0.092 0.000 2.561 263 G HA2 -0.297 3.663 3.960 0.000 0.000 0.289 263 G HA3 -0.297 3.663 3.960 0.000 0.000 0.289 263 G C 0.293 175.098 174.900 -0.159 0.000 1.169 263 G CA 0.752 45.792 45.100 -0.100 0.000 0.980 263 G HN 0.956 nan 8.290 nan 0.000 0.550 264 D N 0.129 120.440 120.400 -0.148 0.000 2.363 264 D HA 0.333 4.973 4.640 0.000 0.000 0.214 264 D C 1.089 177.253 176.300 -0.227 0.000 1.093 264 D CA 0.296 54.193 54.000 -0.172 0.000 0.837 264 D CB 0.099 40.843 40.800 -0.093 0.000 0.948 264 D HN 0.576 nan 8.370 nan 0.000 0.507 265 M N 0.754 120.214 119.600 -0.233 0.000 2.363 265 M HA 0.417 4.897 4.480 0.000 0.000 0.343 265 M C -1.610 174.542 176.300 -0.247 0.000 1.165 265 M CA -0.643 54.591 55.300 -0.111 0.000 1.046 265 M CB 1.503 34.128 32.600 0.042 0.000 1.648 265 M HN -0.165 nan 8.290 nan 0.000 0.452 266 Y N 1.663 122.071 120.300 0.181 0.000 2.409 266 Y HA 0.402 4.952 4.550 0.000 0.000 0.343 266 Y C -0.410 175.650 175.900 0.267 0.000 0.973 266 Y CA -0.763 57.457 58.100 0.200 0.000 1.064 266 Y CB 1.646 40.191 38.460 0.142 0.000 1.207 266 Y HN 0.547 nan 8.280 nan 0.000 0.452 267 Q N 1.699 121.784 119.800 0.474 0.000 2.278 267 Q HA 0.633 4.973 4.340 0.000 0.000 0.257 267 Q C -0.154 176.144 176.000 0.497 0.000 0.928 267 Q CA -0.266 55.819 55.803 0.471 0.000 0.932 267 Q CB 1.389 30.425 28.738 0.497 0.000 1.221 267 Q HN 0.899 nan 8.270 nan 0.000 0.434 268 G N 2.711 111.780 108.800 0.449 0.000 3.008 268 G HA2 0.518 4.478 3.960 0.000 0.000 0.181 268 G HA3 0.518 4.478 3.960 0.000 0.000 0.181 268 G C -1.022 174.070 174.900 0.319 0.000 1.309 268 G CA -0.843 44.550 45.100 0.489 0.000 1.009 268 G HN 0.576 nan 8.290 nan 0.000 0.584 269 L N 1.125 122.500 121.223 0.253 0.000 2.272 269 L HA 0.474 4.814 4.340 0.000 0.000 0.284 269 L C 1.348 178.257 176.870 0.065 0.000 1.045 269 L CA 0.380 55.228 54.840 0.015 0.000 0.842 269 L CB 0.626 42.673 42.059 -0.021 0.000 1.224 269 L HN 1.047 nan 8.230 nan 0.000 0.430 270 G N 2.168 110.977 108.800 0.015 0.000 3.444 270 G HA2 -0.303 3.657 3.960 0.000 0.000 0.222 270 G HA3 -0.303 3.657 3.960 0.000 0.000 0.222 270 G C -0.012 174.917 174.900 0.048 0.000 1.358 270 G CA -0.188 44.910 45.100 -0.002 0.000 0.880 270 G HN 0.516 nan 8.290 nan 0.000 0.555 271 W N 2.239 123.671 121.300 0.220 0.000 2.150 271 W HA 0.607 5.267 4.660 0.000 0.000 0.341 271 W C 0.755 177.424 176.519 0.250 0.000 1.276 271 W CA -0.342 57.132 57.345 0.214 0.000 1.238 271 W CB 0.509 30.071 29.460 0.169 0.000 1.128 271 W HN 0.287 nan 8.180 nan 0.000 0.581 272 E N 1.640 122.194 120.200 0.590 0.000 2.256 272 E HA 0.576 4.926 4.350 0.000 0.000 0.267 272 E C -0.822 176.082 176.600 0.506 0.000 0.892 272 E CA -1.105 55.603 56.400 0.515 0.000 0.775 272 E CB 1.829 31.817 29.700 0.481 0.000 1.207 272 E HN 0.181 nan 8.360 nan 0.000 0.420 273 M N 1.733 121.585 119.600 0.419 0.000 2.593 273 M HA 0.527 5.007 4.480 0.000 0.000 0.290 273 M C -1.497 175.038 176.300 0.393 0.000 1.244 273 M CA -0.376 55.116 55.300 0.320 0.000 0.857 273 M CB 1.798 34.516 32.600 0.197 0.000 1.738 273 M HN 0.326 nan 8.290 nan 0.000 0.461 274 L N 0.328 121.748 121.223 0.330 0.000 2.434 274 L HA 0.515 4.855 4.340 0.000 0.000 0.260 274 L C -0.999 176.052 176.870 0.303 0.000 0.983 274 L CA -0.762 54.274 54.840 0.325 0.000 0.820 274 L CB 2.166 44.317 42.059 0.153 0.000 1.361 274 L HN 0.554 nan 8.230 nan 0.000 0.410 275 D N 1.032 121.607 120.400 0.293 0.000 2.414 275 D HA -0.007 4.633 4.640 0.000 0.000 0.242 275 D C -0.955 175.484 176.300 0.232 0.000 1.129 275 D CA 0.223 54.352 54.000 0.214 0.000 0.885 275 D CB 1.201 42.101 40.800 0.166 0.000 1.198 275 D HN 0.335 nan 8.370 nan 0.000 0.437 276 W N 4.319 125.677 121.300 0.096 0.000 2.520 276 W HA 0.298 4.958 4.660 -0.000 0.000 0.323 276 W C -2.298 174.273 176.519 0.086 0.000 1.062 276 W CA -1.821 55.598 57.345 0.122 0.000 1.215 276 W CB 1.138 30.683 29.460 0.141 0.000 1.340 276 W HN 0.242 nan 8.180 nan 0.000 0.516 277 P HA 0.144 nan 4.420 nan 0.000 0.272 277 P C -0.505 176.450 177.300 -0.575 0.000 1.223 277 P CA 0.061 62.370 63.100 -1.319 0.000 0.784 277 P CB 1.672 32.804 31.700 -0.947 0.000 0.923 278 V N -0.775 118.816 119.914 -0.537 0.000 2.850 278 V HA 0.527 4.647 4.120 0.000 0.000 0.315 278 V C 0.034 175.844 176.094 -0.473 0.000 1.064 278 V CA -1.110 60.980 62.300 -0.351 0.000 0.979 278 V CB 1.666 33.297 31.823 -0.320 0.000 1.039 278 V HN 0.607 nan 8.190 nan 0.000 0.452 279 N N 3.797 122.242 118.700 -0.424 0.000 2.414 279 N HA 0.357 5.097 4.740 0.000 0.000 0.256 279 N C -1.394 173.729 175.510 -0.645 0.000 1.029 279 N CA -1.952 50.828 53.050 -0.450 0.000 0.948 279 N CB 1.772 40.081 38.487 -0.296 0.000 1.102 279 N HN 0.581 nan 8.380 nan 0.000 0.496 280 P HA -0.166 nan 4.420 nan 0.000 0.216 280 P C 0.482 177.405 177.300 -0.627 0.000 1.153 280 P CA 1.259 63.660 63.100 -1.165 0.000 0.858 280 P CB 0.480 31.207 31.700 -1.621 0.000 0.789 281 D N -0.276 119.863 120.400 -0.435 0.000 2.149 281 D HA -0.132 4.508 4.640 0.000 0.000 0.198 281 D C 2.216 178.372 176.300 -0.240 0.000 0.990 281 D CA 1.297 55.132 54.000 -0.275 0.000 0.839 281 D CB -0.632 40.047 40.800 -0.202 0.000 0.948 281 D HN 0.199 nan 8.370 nan 0.000 0.460 282 S N 0.801 116.342 115.700 -0.266 0.000 2.353 282 S HA -0.165 4.305 4.470 0.000 0.000 0.222 282 S C 2.202 176.692 174.600 -0.183 0.000 1.035 282 S CA 1.530 59.606 58.200 -0.207 0.000 1.025 282 S CB -0.311 62.759 63.200 -0.218 0.000 0.902 282 S HN 0.428 nan 8.310 nan 0.000 0.440 283 I N -1.461 118.954 120.570 -0.258 0.000 2.716 283 I HA 0.101 4.271 4.170 0.000 0.000 0.259 283 I C 2.063 178.120 176.117 -0.099 0.000 1.172 283 I CA 0.872 62.078 61.300 -0.156 0.000 1.478 283 I CB -0.429 37.390 38.000 -0.302 0.000 1.104 283 I HN 0.256 nan 8.210 nan 0.000 0.439 284 I N 2.215 122.679 120.570 -0.176 0.000 2.162 284 I HA -0.200 3.970 4.170 0.000 0.000 0.238 284 I C 2.217 178.277 176.117 -0.096 0.000 1.076 284 I CA 1.834 63.057 61.300 -0.127 0.000 1.353 284 I CB -0.586 37.324 38.000 -0.151 0.000 1.063 284 I HN 0.256 nan 8.210 nan 0.000 0.408 285 N N 0.598 119.235 118.700 -0.105 0.000 2.188 285 N HA -0.122 4.618 4.740 0.000 0.000 0.184 285 N C 1.923 177.393 175.510 -0.067 0.000 1.018 285 N CA 1.039 54.040 53.050 -0.081 0.000 0.858 285 N CB -0.281 38.155 38.487 -0.085 0.000 0.989 285 N HN 0.384 nan 8.380 nan 0.000 0.426 286 G N 0.484 109.245 108.800 -0.065 0.000 2.470 286 G HA2 -0.233 3.727 3.960 0.000 0.000 0.220 286 G HA3 -0.233 3.727 3.960 0.000 0.000 0.220 286 G C 1.543 176.424 174.900 -0.032 0.000 1.121 286 G CA 0.967 46.043 45.100 -0.041 0.000 0.766 286 G HN 0.420 nan 8.290 nan 0.000 0.553 287 S N -0.322 115.358 115.700 -0.034 0.000 2.527 287 S HA 0.015 4.485 4.470 0.000 0.000 0.222 287 S C 0.789 175.341 174.600 -0.080 0.000 0.985 287 S CA 0.039 58.209 58.200 -0.051 0.000 0.921 287 S CB -0.003 63.166 63.200 -0.053 0.000 0.772 287 S HN 0.295 nan 8.310 nan 0.000 0.529 288 D N 2.008 122.366 120.400 -0.069 0.000 2.458 288 D HA 0.079 4.719 4.640 0.000 0.000 0.243 288 D C 0.553 176.810 176.300 -0.072 0.000 1.146 288 D CA 0.183 54.144 54.000 -0.066 0.000 0.877 288 D CB 0.321 41.090 40.800 -0.052 0.000 1.176 288 D HN 0.351 nan 8.370 nan 0.000 0.461 289 N N 2.569 121.226 118.700 -0.073 0.000 2.334 289 N HA -0.226 4.514 4.740 0.000 0.000 0.187 289 N C 1.792 177.269 175.510 -0.055 0.000 1.016 289 N CA 1.275 54.279 53.050 -0.077 0.000 0.879 289 N CB 0.033 38.483 38.487 -0.063 0.000 0.965 289 N HN 0.517 nan 8.380 nan 0.000 0.438 290 K N 1.014 121.389 120.400 -0.041 0.000 2.280 290 K HA -0.044 4.276 4.320 0.000 0.000 0.202 290 K C 1.556 178.137 176.600 -0.031 0.000 1.047 290 K CA 0.969 57.239 56.287 -0.028 0.000 0.942 290 K CB -0.506 31.980 32.500 -0.024 0.000 0.739 290 K HN 0.262 nan 8.250 nan 0.000 0.457 291 I N -1.037 119.506 120.570 -0.045 0.000 2.899 291 I HA 0.087 4.257 4.170 0.000 0.000 0.257 291 I C 2.905 178.987 176.117 -0.058 0.000 1.115 291 I CA 0.697 61.970 61.300 -0.046 0.000 1.451 291 I CB -0.002 37.970 38.000 -0.047 0.000 1.251 291 I HN 0.264 nan 8.210 nan 0.000 0.456 292 A N 1.276 124.044 122.820 -0.087 0.000 1.978 292 A HA -0.129 4.191 4.320 0.000 0.000 0.220 292 A C 2.087 179.573 177.584 -0.163 0.000 1.170 292 A CA 1.525 53.476 52.037 -0.143 0.000 0.636 292 A CB -0.731 18.143 19.000 -0.209 0.000 0.810 292 A HN 0.446 nan 8.150 nan 0.000 0.448 293 L N -1.056 120.103 121.223 -0.107 0.000 2.607 293 L HA 0.276 4.616 4.340 0.000 0.000 0.228 293 L C 1.042 177.922 176.870 0.016 0.000 1.123 293 L CA -0.109 54.707 54.840 -0.041 0.000 0.890 293 L CB -0.256 41.791 42.059 -0.020 0.000 1.103 293 L HN 0.359 nan 8.230 nan 0.000 0.468 294 A N 0.731 123.550 122.820 -0.003 0.000 2.316 294 A HA 0.692 5.012 4.320 0.000 0.000 0.284 294 A C 0.426 178.008 177.584 -0.002 0.000 1.115 294 A CA -0.283 51.761 52.037 0.012 0.000 0.812 294 A CB 0.561 19.557 19.000 -0.007 0.000 1.064 294 A HN 0.192 nan 8.150 nan 0.000 0.489 295 A N 2.526 125.346 122.820 -0.000 0.000 2.477 295 A HA 0.560 4.880 4.320 0.000 0.000 0.246 295 A C 0.390 177.868 177.584 -0.176 0.000 1.078 295 A CA -0.013 51.951 52.037 -0.122 0.000 0.770 295 A CB 0.113 18.969 19.000 -0.241 0.000 1.011 295 A HN 0.745 nan 8.150 nan 0.000 0.494 296 R N 2.211 122.587 120.500 -0.208 0.000 2.673 296 R HA 0.467 4.807 4.340 0.000 0.000 0.281 296 R C -3.132 173.037 176.300 -0.219 0.000 0.991 296 R CA -1.984 54.013 56.100 -0.172 0.000 0.896 296 R CB 2.191 32.434 30.300 -0.094 0.000 1.201 296 R HN 0.555 nan 8.270 nan 0.000 0.457 297 P HA 0.095 nan 4.420 nan 0.000 0.276 297 P C -0.162 177.077 177.300 -0.101 0.000 1.230 297 P CA -0.248 62.743 63.100 -0.182 0.000 0.776 297 P CB 1.004 32.622 31.700 -0.137 0.000 0.888 298 V N 0.436 120.297 119.914 -0.087 0.000 2.769 298 V HA 0.584 4.704 4.120 0.000 0.000 0.312 298 V C -0.146 176.053 176.094 0.176 0.000 1.058 298 V CA -1.000 61.324 62.300 0.040 0.000 0.952 298 V CB 2.053 33.854 31.823 -0.037 0.000 1.019 298 V HN 0.309 nan 8.190 nan 0.000 0.445 299 K N 2.402 122.959 120.400 0.262 0.000 2.274 299 K HA 0.740 5.060 4.320 0.000 0.000 0.262 299 K C -0.111 176.720 176.600 0.386 0.000 0.961 299 K CA -0.418 56.023 56.287 0.258 0.000 0.833 299 K CB 2.035 34.623 32.500 0.147 0.000 1.102 299 K HN 1.062 nan 8.250 nan 0.000 0.436 300 A N 4.144 127.177 122.820 0.356 0.000 2.440 300 A HA 0.243 4.563 4.320 0.000 0.000 0.251 300 A C 0.084 177.645 177.584 -0.038 0.000 1.089 300 A CA -0.188 51.874 52.037 0.042 0.000 0.779 300 A CB -0.144 18.839 19.000 -0.029 0.000 1.022 300 A HN 0.742 nan 8.150 nan 0.000 0.492 301 I N 2.855 123.330 120.570 -0.159 0.000 2.287 301 I HA 0.185 4.355 4.170 0.000 0.000 0.290 301 I C -0.177 175.855 176.117 -0.141 0.000 1.069 301 I CA 0.098 61.346 61.300 -0.087 0.000 1.237 301 I CB 1.037 39.000 38.000 -0.063 0.000 1.418 301 I HN 0.535 nan 8.210 nan 0.000 0.481 302 T N 6.679 121.183 114.554 -0.083 0.000 2.821 302 T HA 0.419 4.769 4.350 0.000 0.000 0.307 302 T C -1.685 172.984 174.700 -0.053 0.000 1.034 302 T CA -0.954 61.102 62.100 -0.073 0.000 0.953 302 T CB 0.789 69.632 68.868 -0.041 0.000 0.968 302 T HN 0.464 nan 8.240 nan 0.000 0.462 303 P HA 0.533 nan 4.420 nan 0.000 0.283 303 P C -3.054 174.164 177.300 -0.136 0.000 1.278 303 P CA -2.183 60.864 63.100 -0.087 0.000 0.834 303 P CB 0.165 31.827 31.700 -0.063 0.000 1.150 304 P HA 0.032 nan 4.420 nan 0.000 0.264 304 P C -0.277 176.858 177.300 -0.275 0.000 1.183 304 P CA 0.595 63.491 63.100 -0.340 0.000 0.763 304 P CB -0.058 31.295 31.700 -0.579 0.000 0.807 305 T N 5.691 120.081 114.554 -0.274 0.000 2.794 305 T HA 0.265 4.615 4.350 0.000 0.000 0.296 305 T C -2.145 172.418 174.700 -0.228 0.000 0.949 305 T CA -1.136 60.836 62.100 -0.213 0.000 1.101 305 T CB 0.055 68.796 68.868 -0.212 0.000 0.905 305 T HN 0.252 nan 8.240 nan 0.000 0.516 306 P HA 0.202 nan 4.420 nan 0.000 0.269 306 P C -0.487 176.734 177.300 -0.133 0.000 1.215 306 P CA -0.430 62.587 63.100 -0.138 0.000 0.780 306 P CB 0.310 31.953 31.700 -0.095 0.000 0.898 307 A N 2.674 125.428 122.820 -0.109 0.000 2.600 307 A HA 0.024 4.344 4.320 0.000 0.000 0.244 307 A C 0.155 177.680 177.584 -0.099 0.000 1.016 307 A CA 0.395 52.374 52.037 -0.096 0.000 0.778 307 A CB -0.770 18.189 19.000 -0.068 0.000 0.920 307 A HN 0.371 nan 8.150 nan 0.000 0.513 308 V N 5.743 125.591 119.914 -0.110 0.000 2.407 308 V HA 0.187 4.307 4.120 0.000 0.000 0.278 308 V C 1.467 177.518 176.094 -0.072 0.000 1.037 308 V CA -0.440 61.803 62.300 -0.094 0.000 0.900 308 V CB 1.155 32.907 31.823 -0.119 0.000 0.983 308 V HN 1.053 nan 8.190 nan 0.000 0.459 309 R N 3.464 123.929 120.500 -0.058 0.000 2.092 309 R HA -0.002 4.338 4.340 0.000 0.000 0.231 309 R C 1.326 177.601 176.300 -0.043 0.000 1.119 309 R CA 1.292 57.357 56.100 -0.058 0.000 0.970 309 R CB -0.083 30.183 30.300 -0.055 0.000 0.864 309 R HN 0.737 nan 8.270 nan 0.000 0.440 310 A N 1.806 124.630 122.820 0.007 0.000 3.077 310 A HA 0.226 4.546 4.320 0.000 0.000 0.255 310 A C -0.512 177.164 177.584 0.155 0.000 1.728 310 A CA 0.089 52.184 52.037 0.098 0.000 1.383 310 A CB -0.063 19.022 19.000 0.141 0.000 1.097 310 A HN 0.073 nan 8.150 nan 0.000 0.634 311 S N 0.282 116.034 115.700 0.086 0.000 2.595 311 S HA 0.562 5.032 4.470 0.000 0.000 0.281 311 S C -1.029 173.637 174.600 0.110 0.000 1.117 311 S CA -0.610 57.663 58.200 0.122 0.000 0.873 311 S CB 1.269 64.461 63.200 -0.013 0.000 1.108 311 S HN 0.674 nan 8.310 nan 0.000 0.477 312 W N 3.429 124.749 121.300 0.034 0.000 2.291 312 W HA 0.590 5.250 4.660 0.000 0.000 0.312 312 W C -1.894 174.480 176.519 -0.242 0.000 1.061 312 W CA -0.556 56.761 57.345 -0.046 0.000 1.296 312 W CB 0.619 30.154 29.460 0.125 0.000 1.223 312 W HN 0.356 nan 8.180 nan 0.000 0.421 313 V N 7.547 126.995 119.914 -0.776 0.000 2.435 313 V HA 0.459 4.579 4.120 0.000 0.000 0.290 313 V C -0.068 175.621 176.094 -0.676 0.000 1.030 313 V CA -0.357 61.467 62.300 -0.793 0.000 0.881 313 V CB 1.373 32.242 31.823 -1.589 0.000 0.983 313 V HN 0.684 nan 8.190 nan 0.000 0.445 314 H N 2.374 121.378 119.070 -0.110 0.000 2.948 314 H HA 0.881 5.437 4.556 0.000 0.000 0.315 314 H C -1.269 174.322 175.328 0.438 0.000 1.360 314 H CA -1.287 54.832 56.048 0.117 0.000 1.125 314 H CB 2.159 32.064 29.762 0.238 0.000 1.844 314 H HN 0.456 nan 8.280 nan 0.000 0.529 315 K N 1.115 121.649 120.400 0.224 0.000 2.570 315 K HA 0.278 4.598 4.320 0.000 0.000 0.256 315 K C -1.487 175.233 176.600 0.201 0.000 0.939 315 K CA -0.092 56.276 56.287 0.136 0.000 0.833 315 K CB 2.188 34.757 32.500 0.114 0.000 1.318 315 K HN 0.916 nan 8.250 nan 0.000 0.433 316 T N -0.089 114.587 114.554 0.203 0.000 2.943 316 T HA 0.901 5.251 4.350 0.000 0.000 0.284 316 T C 0.221 175.023 174.700 0.170 0.000 1.015 316 T CA -0.526 61.735 62.100 0.269 0.000 1.042 316 T CB 1.707 70.644 68.868 0.115 0.000 1.055 316 T HN 0.647 nan 8.240 nan 0.000 0.500 317 G N -0.627 108.275 108.800 0.169 0.000 2.720 317 G HA2 0.782 4.742 3.960 0.000 0.000 0.295 317 G HA3 0.782 4.742 3.960 0.000 0.000 0.295 317 G C -1.520 173.467 174.900 0.145 0.000 1.437 317 G CA -0.502 44.696 45.100 0.163 0.000 0.886 317 G HN 1.193 nan 8.290 nan 0.000 0.509 318 A N -0.091 122.813 122.820 0.141 0.000 2.610 318 A HA 1.005 5.325 4.320 0.000 0.000 0.291 318 A C -0.094 177.578 177.584 0.146 0.000 1.086 318 A CA 0.204 52.330 52.037 0.148 0.000 0.677 318 A CB 1.548 20.597 19.000 0.080 0.000 1.278 318 A HN 2.079 nan 8.150 nan 0.000 0.414 319 T N -2.909 111.765 114.554 0.201 0.000 2.654 319 T HA 0.625 4.975 4.350 0.000 0.000 0.289 319 T C 1.257 176.065 174.700 0.180 0.000 1.062 319 T CA 0.236 62.440 62.100 0.174 0.000 1.041 319 T CB 0.886 69.920 68.868 0.277 0.000 1.417 319 T HN 1.740 nan 8.240 nan 0.000 0.510 320 G N -0.253 108.644 108.800 0.161 0.000 2.442 320 G HA2 0.174 4.134 3.960 0.000 0.000 0.219 320 G HA3 0.174 4.134 3.960 0.000 0.000 0.219 320 G C 1.185 176.170 174.900 0.142 0.000 1.141 320 G CA 0.719 45.895 45.100 0.127 0.000 0.763 320 G HN 1.198 nan 8.290 nan 0.000 0.554 321 G N -1.342 107.582 108.800 0.207 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 -0.294 174.556 174.900 -0.082 0.000 1.084 321 G CA -0.454 44.673 45.100 0.046 0.000 0.784 321 G HN 0.205 nan 8.290 nan 0.000 0.540 322 F N -0.451 119.627 119.950 0.213 0.000 2.593 322 F HA 0.748 5.275 4.527 0.000 0.000 0.320 322 F C 0.409 176.333 175.800 0.207 0.000 1.060 322 F CA -1.122 57.037 58.000 0.266 0.000 0.940 322 F CB 2.337 41.524 39.000 0.313 0.000 1.268 322 F HN 0.018 nan 8.300 nan 0.000 0.475 323 G N 0.279 109.334 108.800 0.425 0.000 2.719 323 G HA2 0.585 4.546 3.960 0.000 0.000 0.298 323 G HA3 0.585 4.546 3.960 0.000 0.000 0.298 323 G C -1.666 173.380 174.900 0.243 0.000 1.433 323 G CA -0.756 44.469 45.100 0.209 0.000 1.034 323 G HN 0.803 nan 8.290 nan 0.000 0.517 324 S N 0.406 116.224 115.700 0.197 0.000 2.588 324 S HA 0.842 5.312 4.470 0.000 0.000 0.275 324 S C -1.683 173.101 174.600 0.307 0.000 1.130 324 S CA -0.959 57.387 58.200 0.244 0.000 0.855 324 S CB 2.440 65.788 63.200 0.246 0.000 1.116 324 S HN 1.279 nan 8.310 nan 0.000 0.472 325 Y N 0.141 120.541 120.300 0.167 0.000 2.519 325 Y HA 0.653 5.203 4.550 0.000 0.000 0.336 325 Y C -1.996 174.055 175.900 0.250 0.000 1.089 325 Y CA -0.866 57.350 58.100 0.194 0.000 1.025 325 Y CB 1.740 40.312 38.460 0.186 0.000 1.318 325 Y HN 0.803 nan 8.280 nan 0.000 0.452 326 V N 4.365 124.061 119.914 -0.363 0.000 2.686 326 V HA 0.957 5.077 4.120 0.000 0.000 0.306 326 V C -0.922 174.935 176.094 -0.396 0.000 1.065 326 V CA -0.297 61.910 62.300 -0.154 0.000 0.894 326 V CB 1.461 33.460 31.823 0.294 0.000 1.004 326 V HN 1.006 nan 8.190 nan 0.000 0.424 327 A N 4.878 127.505 122.820 -0.321 0.000 2.520 327 A HA 1.039 5.359 4.320 0.000 0.000 0.298 327 A C -1.281 176.048 177.584 -0.425 0.000 1.051 327 A CA -0.511 51.226 52.037 -0.500 0.000 0.690 327 A CB 1.793 20.472 19.000 -0.534 0.000 1.281 327 A HN 1.458 nan 8.150 nan 0.000 0.402 328 F N -0.643 118.873 119.950 -0.724 0.000 2.668 328 F HA 0.828 5.355 4.527 0.000 0.000 0.309 328 F C -1.407 174.014 175.800 -0.632 0.000 1.117 328 F CA -1.268 56.366 58.000 -0.611 0.000 0.951 328 F CB 1.315 40.022 39.000 -0.489 0.000 1.323 328 F HN 0.311 nan 8.300 nan 0.000 0.451 329 I N 2.328 122.702 120.570 -0.326 0.000 2.495 329 I HA 0.305 4.475 4.170 0.000 0.000 0.277 329 I C -2.156 173.832 176.117 -0.215 0.000 1.045 329 I CA -1.860 59.212 61.300 -0.381 0.000 1.135 329 I CB 1.682 39.317 38.000 -0.609 0.000 1.241 329 I HN 0.367 nan 8.210 nan 0.000 0.469 330 P HA -0.266 nan 4.420 nan 0.000 0.217 330 P C 1.439 178.656 177.300 -0.139 0.000 1.162 330 P CA 1.407 64.451 63.100 -0.093 0.000 0.901 330 P CB 0.260 31.919 31.700 -0.068 0.000 0.793 331 E N -0.171 119.939 120.200 -0.150 0.000 2.273 331 E HA -0.220 4.130 4.350 0.000 0.000 0.198 331 E C 1.011 177.515 176.600 -0.161 0.000 1.002 331 E CA 1.115 57.435 56.400 -0.133 0.000 0.828 331 E CB -0.129 29.509 29.700 -0.104 0.000 0.747 331 E HN 0.255 nan 8.360 nan 0.000 0.491 332 K N -0.197 120.069 120.400 -0.223 0.000 2.374 332 K HA 0.095 4.415 4.320 0.000 0.000 0.202 332 K C -0.392 176.087 176.600 -0.202 0.000 1.040 332 K CA 0.054 56.211 56.287 -0.217 0.000 1.085 332 K CB 0.761 33.088 32.500 -0.288 0.000 0.873 332 K HN 0.064 nan 8.250 nan 0.000 0.539 333 E N 0.970 121.057 120.200 -0.187 0.000 2.440 333 E HA -0.223 4.127 4.350 0.000 0.000 0.246 333 E C -0.830 175.667 176.600 -0.172 0.000 1.165 333 E CA 0.315 56.607 56.400 -0.180 0.000 0.726 333 E CB -1.176 28.413 29.700 -0.184 0.000 1.271 333 E HN 0.118 nan 8.360 nan 0.000 0.397 334 L N -0.302 120.823 121.223 -0.163 0.000 2.365 334 L HA 0.781 5.121 4.340 0.000 0.000 0.273 334 L C 0.137 176.940 176.870 -0.111 0.000 1.000 334 L CA 0.220 54.991 54.840 -0.114 0.000 0.819 334 L CB 2.003 43.984 42.059 -0.130 0.000 1.284 334 L HN 0.055 nan 8.230 nan 0.000 0.418 335 G N 4.242 113.009 108.800 -0.056 0.000 2.660 335 G HA2 0.629 4.589 3.960 0.000 0.000 0.290 335 G HA3 0.629 4.589 3.960 0.000 0.000 0.290 335 G C -2.197 172.707 174.900 0.008 0.000 1.432 335 G CA -0.452 44.620 45.100 -0.047 0.000 0.807 335 G HN 0.807 nan 8.290 nan 0.000 0.485 336 I N -0.458 120.124 120.570 0.021 0.000 2.841 336 I HA 0.681 4.851 4.170 0.000 0.000 0.298 336 I C -1.445 174.739 176.117 0.112 0.000 1.304 336 I CA -0.993 60.362 61.300 0.091 0.000 1.019 336 I CB 2.336 40.415 38.000 0.131 0.000 1.282 336 I HN 0.409 nan 8.210 nan 0.000 0.432 337 V N 6.973 126.987 119.914 0.166 0.000 2.638 337 V HA 0.533 4.654 4.120 0.000 0.000 0.306 337 V C -0.579 175.649 176.094 0.223 0.000 1.052 337 V CA -0.444 61.971 62.300 0.192 0.000 0.885 337 V CB 1.890 33.839 31.823 0.209 0.000 0.999 337 V HN 0.639 nan 8.190 nan 0.000 0.424 338 M N 6.112 125.854 119.600 0.237 0.000 2.142 338 M HA 0.612 5.092 4.480 0.000 0.000 0.299 338 M C -1.387 175.015 176.300 0.170 0.000 0.960 338 M CA -0.187 55.251 55.300 0.230 0.000 0.920 338 M CB 1.931 34.712 32.600 0.302 0.000 1.541 338 M HN 0.382 nan 8.290 nan 0.000 0.429 339 L N 2.927 124.162 121.223 0.020 0.000 2.356 339 L HA 0.976 5.316 4.340 0.000 0.000 0.277 339 L C -0.425 176.340 176.870 -0.175 0.000 0.996 339 L CA -0.698 54.029 54.840 -0.189 0.000 0.822 339 L CB 1.791 43.410 42.059 -0.733 0.000 1.256 339 L HN 0.798 nan 8.230 nan 0.000 0.413 340 A N 2.025 124.978 122.820 0.221 0.000 2.475 340 A HA 0.603 4.923 4.320 0.000 0.000 0.301 340 A C -0.453 177.492 177.584 0.600 0.000 1.059 340 A CA -0.753 51.531 52.037 0.412 0.000 0.710 340 A CB 1.297 20.554 19.000 0.427 0.000 1.288 340 A HN 0.751 nan 8.150 nan 0.000 0.408 341 N N 1.236 120.229 118.700 0.488 0.000 2.758 341 N HA 0.199 4.940 4.740 0.000 0.000 0.293 341 N C -0.535 174.964 175.510 -0.018 0.000 1.273 341 N CA -0.139 52.909 53.050 -0.004 0.000 1.022 341 N CB 0.244 38.709 38.487 -0.036 0.000 1.334 341 N HN 0.606 nan 8.380 nan 0.000 0.519 342 K N 0.218 120.703 120.400 0.141 0.000 2.561 342 K HA 0.218 4.538 4.320 0.000 0.000 0.254 342 K C -1.783 174.988 176.600 0.285 0.000 0.942 342 K CA -0.671 55.721 56.287 0.176 0.000 0.818 342 K CB 1.258 33.862 32.500 0.173 0.000 1.306 342 K HN 0.021 nan 8.250 nan 0.000 0.435 343 N N 3.654 122.480 118.700 0.210 0.000 2.406 343 N HA 0.172 4.912 4.740 0.000 0.000 0.251 343 N C -1.542 174.085 175.510 0.195 0.000 1.069 343 N CA 0.005 53.160 53.050 0.175 0.000 0.947 343 N CB 0.173 38.734 38.487 0.123 0.000 1.111 343 N HN 0.467 nan 8.380 nan 0.000 0.497 344 Y N 1.416 121.754 120.300 0.064 0.000 2.562 344 Y HA 0.746 5.296 4.550 0.000 0.000 0.343 344 Y C -2.654 173.262 175.900 0.026 0.000 1.025 344 Y CA -3.291 54.830 58.100 0.036 0.000 1.082 344 Y CB -0.361 38.113 38.460 0.024 0.000 1.264 344 Y HN 0.346 nan 8.280 nan 0.000 0.478 345 P HA -0.041 nan 4.420 nan 0.000 0.261 345 P C 0.182 177.390 177.300 -0.153 0.000 1.165 345 P CA 0.519 63.593 63.100 -0.044 0.000 0.759 345 P CB 0.692 32.410 31.700 0.032 0.000 0.772 346 N N 4.878 123.482 118.700 -0.160 0.000 2.104 346 N HA -0.136 4.604 4.740 0.000 0.000 0.190 346 N C -0.874 174.543 175.510 -0.156 0.000 1.024 346 N CA 1.804 54.742 53.050 -0.188 0.000 0.853 346 N CB -1.830 36.570 38.487 -0.144 0.000 1.008 346 N HN 0.450 nan 8.380 nan 0.000 0.424 347 P HA -0.068 nan 4.420 nan 0.000 0.216 347 P C 1.074 178.353 177.300 -0.035 0.000 1.150 347 P CA 1.503 64.562 63.100 -0.069 0.000 0.837 347 P CB -0.055 31.617 31.700 -0.047 0.000 0.786 348 A N -0.277 122.551 122.820 0.014 0.000 1.969 348 A HA -0.182 4.138 4.320 0.000 0.000 0.218 348 A C 2.207 179.867 177.584 0.128 0.000 1.169 348 A CA 1.299 53.395 52.037 0.098 0.000 0.635 348 A CB -0.883 18.242 19.000 0.207 0.000 0.810 348 A HN 0.094 nan 8.150 nan 0.000 0.445 349 R N -0.685 119.842 120.500 0.045 0.000 2.066 349 R HA -0.046 4.294 4.340 0.000 0.000 0.232 349 R C 1.963 178.185 176.300 -0.129 0.000 1.131 349 R CA 1.447 57.549 56.100 0.003 0.000 0.955 349 R CB -0.582 29.598 30.300 -0.200 0.000 0.851 349 R HN 0.357 nan 8.270 nan 0.000 0.432 350 V N 1.606 121.343 119.914 -0.295 0.000 2.515 350 V HA -0.216 3.904 4.120 0.000 0.000 0.250 350 V C 1.863 178.004 176.094 0.077 0.000 1.058 350 V CA 2.020 64.174 62.300 -0.244 0.000 1.064 350 V CB -0.521 31.175 31.823 -0.212 0.000 0.675 350 V HN 0.310 nan 8.190 nan 0.000 0.461 351 D N 0.636 121.072 120.400 0.061 0.000 2.117 351 D HA -0.129 4.511 4.640 0.000 0.000 0.198 351 D C 2.130 178.558 176.300 0.213 0.000 0.982 351 D CA 1.558 55.641 54.000 0.138 0.000 0.828 351 D CB -0.105 40.740 40.800 0.076 0.000 0.967 351 D HN 0.346 nan 8.370 nan 0.000 0.464 352 A N 0.556 123.472 122.820 0.160 0.000 1.902 352 A HA 0.064 4.384 4.320 0.000 0.000 0.217 352 A C 2.411 180.123 177.584 0.214 0.000 1.181 352 A CA 2.237 54.364 52.037 0.150 0.000 0.623 352 A CB -1.134 17.933 19.000 0.111 0.000 0.818 352 A HN 0.322 nan 8.150 nan 0.000 0.443 353 A N -1.085 121.922 122.820 0.312 0.000 1.908 353 A HA -0.212 4.109 4.320 0.000 0.000 0.218 353 A C 2.133 180.014 177.584 0.495 0.000 1.181 353 A CA 1.468 53.776 52.037 0.451 0.000 0.627 353 A CB -0.989 18.469 19.000 0.763 0.000 0.818 353 A HN 0.892 nan 8.150 nan 0.000 0.445 354 W N 0.609 122.118 121.300 0.348 0.000 2.358 354 W HA -0.195 4.465 4.660 0.000 0.000 0.303 354 W C 1.824 178.467 176.519 0.207 0.000 1.208 354 W CA 1.970 59.485 57.345 0.283 0.000 1.274 354 W CB -0.231 29.271 29.460 0.070 0.000 1.138 354 W HN 0.389 nan 8.180 nan 0.000 0.515 355 Q N 0.778 120.607 119.800 0.049 0.000 2.050 355 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 355 Q C 2.272 178.200 176.000 -0.119 0.000 0.980 355 Q CA 2.087 57.842 55.803 -0.080 0.000 0.840 355 Q CB -1.003 27.762 28.738 0.046 0.000 0.898 355 Q HN 0.481 nan 8.270 nan 0.000 0.424 356 I N 0.431 120.990 120.570 -0.020 0.000 2.113 356 I HA -0.279 3.891 4.170 0.000 0.000 0.238 356 I C 2.339 178.434 176.117 -0.037 0.000 1.070 356 I CA 1.029 62.317 61.300 -0.020 0.000 1.332 356 I CB -0.413 37.604 38.000 0.028 0.000 1.044 356 I HN 0.109 nan 8.210 nan 0.000 0.402 357 L N 0.431 121.665 121.223 0.018 0.000 2.131 357 L HA -0.208 4.132 4.340 0.000 0.000 0.210 357 L C 2.243 179.067 176.870 -0.077 0.000 1.092 357 L CA 1.320 56.172 54.840 0.020 0.000 0.759 357 L CB -0.829 41.311 42.059 0.135 0.000 0.903 357 L HN 0.365 nan 8.230 nan 0.000 0.435 358 N N 0.444 118.948 118.700 -0.327 0.000 2.270 358 N HA -0.109 4.631 4.740 0.000 0.000 0.181 358 N C 1.758 177.150 175.510 -0.197 0.000 1.016 358 N CA 1.259 54.035 53.050 -0.457 0.000 0.870 358 N CB 0.079 37.833 38.487 -1.222 0.000 0.979 358 N HN 0.258 nan 8.380 nan 0.000 0.431 359 A N 0.098 122.819 122.820 -0.166 0.000 1.929 359 A HA 0.048 4.368 4.320 0.000 0.000 0.216 359 A C 2.090 179.648 177.584 -0.043 0.000 1.176 359 A CA 0.802 52.787 52.037 -0.087 0.000 0.628 359 A CB -0.464 18.486 19.000 -0.084 0.000 0.816 359 A HN 0.340 nan 8.150 nan 0.000 0.444 360 L N -0.095 121.110 121.223 -0.030 0.000 2.375 360 L HA -0.008 4.332 4.340 0.000 0.000 0.215 360 L C 1.858 178.803 176.870 0.124 0.000 1.108 360 L CA 0.130 54.989 54.840 0.032 0.000 0.830 360 L CB -0.504 41.577 42.059 0.038 0.000 0.959 360 L HN 0.648 nan 8.230 nan 0.000 0.457 361 Q N 0.000 119.843 119.800 0.071 0.000 2.315 361 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 361 Q CA 0.000 55.849 55.803 0.076 0.000 1.022 361 Q CB 0.000 28.819 28.738 0.134 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481