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 1l0f_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 PGTQRLYAHS 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 0.000 177.447 177.584 -0.229 0.000 1.274 4 A CA 0.000 51.904 52.037 -0.222 0.000 0.836 4 A CB 0.000 18.822 19.000 -0.297 0.000 0.831 5 P HA 0.110 nan 4.420 nan 0.000 0.267 5 P C 0.734 177.923 177.300 -0.185 0.000 1.200 5 P CA -0.158 62.801 63.100 -0.236 0.000 0.772 5 P CB 0.626 32.136 31.700 -0.317 0.000 0.855 6 Q N 2.305 122.038 119.800 -0.113 0.000 2.135 6 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 6 Q C 1.772 177.718 176.000 -0.089 0.000 0.981 6 Q CA 1.843 57.601 55.803 -0.074 0.000 0.856 6 Q CB -0.098 28.613 28.738 -0.046 0.000 0.902 6 Q HN 0.573 nan 8.270 nan 0.000 0.425 7 Q N -0.242 119.478 119.800 -0.132 0.000 2.170 7 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 7 Q C 2.101 177.999 176.000 -0.169 0.000 0.976 7 Q CA 1.228 56.947 55.803 -0.140 0.000 0.858 7 Q CB -0.018 28.619 28.738 -0.169 0.000 0.907 7 Q HN 0.492 nan 8.270 nan 0.000 0.433 8 I N 0.653 121.082 120.570 -0.236 0.000 2.277 8 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 8 I C 1.918 177.985 176.117 -0.083 0.000 1.094 8 I CA 0.589 61.764 61.300 -0.208 0.000 1.393 8 I CB -0.420 37.407 38.000 -0.288 0.000 1.078 8 I HN 0.206 nan 8.210 nan 0.000 0.417 9 N N 0.974 119.676 118.700 0.004 0.000 2.149 9 N HA -0.243 4.497 4.740 -0.000 0.000 0.188 9 N C 1.494 177.044 175.510 0.065 0.000 1.019 9 N CA 1.753 54.865 53.050 0.103 0.000 0.857 9 N CB -0.492 38.044 38.487 0.082 0.000 0.997 9 N HN 0.380 nan 8.380 nan 0.000 0.426 10 D N 0.385 120.800 120.400 0.024 0.000 2.084 10 D HA -0.092 4.548 4.640 -0.000 0.000 0.194 10 D C 1.870 178.190 176.300 0.033 0.000 0.990 10 D CA 0.562 54.589 54.000 0.045 0.000 0.826 10 D CB -0.182 40.623 40.800 0.008 0.000 0.971 10 D HN 0.112 nan 8.370 nan 0.000 0.453 11 I N -0.260 120.296 120.570 -0.023 0.000 2.439 11 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 11 I C 2.033 178.128 176.117 -0.035 0.000 1.139 11 I CA 0.756 62.036 61.300 -0.034 0.000 1.438 11 I CB -0.105 37.859 38.000 -0.060 0.000 1.085 11 I HN -0.031 nan 8.210 nan 0.000 0.427 12 V N 0.081 119.945 119.914 -0.084 0.000 2.358 12 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 12 V C 2.529 178.686 176.094 0.104 0.000 1.047 12 V CA 2.189 64.418 62.300 -0.119 0.000 1.035 12 V CB -1.054 30.441 31.823 -0.548 0.000 0.658 12 V HN 0.532 nan 8.190 nan 0.000 0.452 13 H N 0.787 119.890 119.070 0.054 0.000 2.389 13 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 13 H C 2.385 177.766 175.328 0.089 0.000 1.081 13 H CA 1.766 57.905 56.048 0.151 0.000 1.345 13 H CB -0.069 29.769 29.762 0.126 0.000 1.393 13 H HN 0.280 nan 8.280 nan 0.000 0.520 14 R N -1.160 119.341 120.500 0.002 0.000 2.189 14 R HA -0.002 4.338 4.340 -0.000 0.000 0.218 14 R C 1.620 177.884 176.300 -0.060 0.000 1.074 14 R CA 1.516 57.567 56.100 -0.081 0.000 0.991 14 R CB 0.283 30.561 30.300 -0.037 0.000 0.883 14 R HN 0.315 nan 8.270 nan 0.000 0.457 15 T N 0.268 114.805 114.554 -0.029 0.000 3.053 15 T HA 0.125 4.475 4.350 -0.000 0.000 0.236 15 T C 1.685 176.341 174.700 -0.072 0.000 0.996 15 T CA 0.253 62.335 62.100 -0.031 0.000 1.185 15 T CB 0.210 69.075 68.868 -0.006 0.000 0.892 15 T HN -0.048 nan 8.240 nan 0.000 0.432 16 I N 2.180 122.694 120.570 -0.093 0.000 2.333 16 I HA -0.059 4.111 4.170 -0.000 0.000 0.246 16 I C 2.571 178.448 176.117 -0.401 0.000 1.106 16 I CA 1.338 62.472 61.300 -0.277 0.000 1.411 16 I CB -1.815 35.929 38.000 -0.426 0.000 1.082 16 I HN 0.254 nan 8.210 nan 0.000 0.420 17 T N 2.111 116.563 114.554 -0.171 0.000 2.720 17 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 17 T C -0.299 174.304 174.700 -0.162 0.000 1.037 17 T CA 1.632 63.662 62.100 -0.115 0.000 1.144 17 T CB -1.264 67.766 68.868 0.270 0.000 0.864 17 T HN 0.236 nan 8.240 nan 0.000 0.444 18 P HA 0.069 nan 4.420 nan 0.000 0.220 18 P C 1.602 178.821 177.300 -0.134 0.000 1.152 18 P CA 0.326 63.358 63.100 -0.114 0.000 0.812 18 P CB -0.132 31.514 31.700 -0.091 0.000 0.792 19 L N -0.461 120.662 121.223 -0.168 0.000 2.042 19 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 19 L C 2.065 178.781 176.870 -0.257 0.000 1.076 19 L CA 1.867 56.596 54.840 -0.184 0.000 0.749 19 L CB -1.164 40.782 42.059 -0.189 0.000 0.893 19 L HN -0.127 nan 8.230 nan 0.000 0.432 20 I N -0.447 119.929 120.570 -0.324 0.000 2.264 20 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 20 I C 2.401 178.401 176.117 -0.196 0.000 1.111 20 I CA 1.072 62.181 61.300 -0.319 0.000 1.382 20 I CB -0.404 37.354 38.000 -0.403 0.000 1.060 20 I HN 0.341 nan 8.210 nan 0.000 0.418 21 E N 0.522 120.634 120.200 -0.146 0.000 2.072 21 E HA -0.215 4.135 4.350 -0.000 0.000 0.190 21 E C 2.167 178.718 176.600 -0.081 0.000 0.982 21 E CA 1.125 57.472 56.400 -0.088 0.000 0.803 21 E CB -0.328 29.336 29.700 -0.060 0.000 0.755 21 E HN 0.579 nan 8.360 nan 0.000 0.453 22 Q N 0.226 119.973 119.800 -0.089 0.000 2.124 22 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 22 Q C 1.816 177.779 176.000 -0.063 0.000 0.977 22 Q CA 1.089 56.853 55.803 -0.064 0.000 0.850 22 Q CB 0.113 28.817 28.738 -0.056 0.000 0.901 22 Q HN 0.166 nan 8.270 nan 0.000 0.429 23 Q N -0.068 119.667 119.800 -0.109 0.000 2.319 23 Q HA 0.092 4.432 4.340 -0.000 0.000 0.202 23 Q C -0.366 175.582 176.000 -0.087 0.000 0.896 23 Q CA 0.134 55.877 55.803 -0.100 0.000 0.942 23 Q CB 0.769 29.370 28.738 -0.228 0.000 1.083 23 Q HN 0.281 nan 8.270 nan 0.000 0.510 24 K N 0.832 121.178 120.400 -0.090 0.000 3.077 24 K HA -0.179 4.141 4.320 -0.000 0.000 0.264 24 K C -0.462 176.096 176.600 -0.070 0.000 1.008 24 K CA 0.269 56.516 56.287 -0.066 0.000 0.740 24 K CB -1.964 30.515 32.500 -0.035 0.000 1.273 24 K HN 0.263 nan 8.250 nan 0.000 0.477 25 I N 1.038 121.538 120.570 -0.115 0.000 2.452 25 I HA 0.003 4.173 4.170 -0.000 0.000 0.287 25 I C -0.925 175.171 176.117 -0.036 0.000 1.079 25 I CA -1.958 59.288 61.300 -0.090 0.000 1.387 25 I CB 0.791 38.672 38.000 -0.198 0.000 1.404 25 I HN 0.007 nan 8.210 nan 0.000 0.522 26 P HA 0.003 nan 4.420 nan 0.000 0.217 26 P C 0.330 177.688 177.300 0.097 0.000 1.151 26 P CA 0.491 63.588 63.100 -0.005 0.000 0.828 26 P CB 0.309 31.915 31.700 -0.157 0.000 0.788 27 G N -1.275 107.640 108.800 0.192 0.000 2.706 27 G HA2 0.678 4.638 3.960 -0.000 0.000 0.297 27 G HA3 0.678 4.638 3.960 -0.000 0.000 0.297 27 G C -1.925 173.225 174.900 0.418 0.000 1.403 27 G CA -0.366 44.918 45.100 0.307 0.000 0.954 27 G HN 0.041 nan 8.290 nan 0.000 0.500 28 M N 1.177 121.063 119.600 0.476 0.000 2.465 28 M HA 0.725 5.205 4.480 -0.000 0.000 0.284 28 M C -1.509 175.132 176.300 0.567 0.000 1.212 28 M CA -0.542 55.011 55.300 0.421 0.000 0.910 28 M CB 2.292 34.979 32.600 0.145 0.000 1.725 28 M HN 1.076 nan 8.290 nan 0.000 0.477 29 A N 3.230 126.252 122.820 0.337 0.000 2.393 29 A HA 0.880 5.200 4.320 -0.000 0.000 0.306 29 A C -1.786 176.010 177.584 0.352 0.000 1.050 29 A CA -0.617 51.653 52.037 0.388 0.000 0.724 29 A CB 1.813 20.980 19.000 0.277 0.000 1.248 29 A HN 0.631 nan 8.150 nan 0.000 0.424 30 V N 0.765 121.008 119.914 0.547 0.000 2.789 30 V HA 0.826 4.946 4.120 -0.000 0.000 0.311 30 V C 0.066 176.502 176.094 0.570 0.000 1.073 30 V CA -0.204 62.396 62.300 0.500 0.000 0.921 30 V CB 1.956 34.106 31.823 0.545 0.000 1.009 30 V HN 1.466 nan 8.190 nan 0.000 0.426 31 A N 3.564 126.632 122.820 0.414 0.000 2.371 31 A HA 0.895 5.215 4.320 -0.000 0.000 0.311 31 A C -1.225 176.517 177.584 0.264 0.000 1.068 31 A CA -0.562 51.666 52.037 0.317 0.000 0.744 31 A CB 1.846 20.981 19.000 0.225 0.000 1.239 31 A HN 0.664 nan 8.150 nan 0.000 0.435 32 V N 3.307 123.405 119.914 0.307 0.000 2.448 32 V HA 0.381 4.501 4.120 -0.000 0.000 0.295 32 V C -0.913 175.307 176.094 0.210 0.000 1.025 32 V CA -0.315 62.138 62.300 0.255 0.000 0.859 32 V CB 1.422 33.422 31.823 0.296 0.000 0.988 32 V HN 0.730 nan 8.190 nan 0.000 0.431 33 I N 5.821 126.467 120.570 0.127 0.000 2.321 33 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 33 I C -0.713 175.514 176.117 0.183 0.000 0.998 33 I CA -0.308 61.041 61.300 0.081 0.000 1.227 33 I CB 0.907 38.889 38.000 -0.029 0.000 1.368 33 I HN 0.585 nan 8.210 nan 0.000 0.466 34 Y N 5.212 125.583 120.300 0.118 0.000 2.373 34 Y HA 0.350 4.900 4.550 0.000 0.000 0.336 34 Y C 0.170 176.121 175.900 0.084 0.000 0.979 34 Y CA -0.901 57.262 58.100 0.105 0.000 1.080 34 Y CB 1.259 39.813 38.460 0.157 0.000 1.190 34 Y HN 0.686 nan 8.280 nan 0.000 0.446 35 Q N 4.539 124.068 119.800 -0.451 0.000 2.453 35 Q HA -0.266 4.074 4.340 -0.000 0.000 0.294 35 Q C 1.108 177.017 176.000 -0.152 0.000 1.295 35 Q CA 1.215 56.805 55.803 -0.355 0.000 0.853 35 Q CB -1.565 26.927 28.738 -0.410 0.000 1.193 35 Q HN 1.397 nan 8.270 nan 0.000 0.461 36 G N -0.687 108.039 108.800 -0.124 0.000 2.212 36 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.266 36 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.266 36 G C 0.046 174.893 174.900 -0.089 0.000 0.978 36 G CA 0.828 45.865 45.100 -0.104 0.000 0.632 36 G HN 0.333 nan 8.290 nan 0.000 0.537 37 K N 1.537 121.901 120.400 -0.060 0.000 2.138 37 K HA 0.535 4.855 4.320 -0.000 0.000 0.263 37 K C -2.581 173.835 176.600 -0.306 0.000 0.965 37 K CA -1.898 54.290 56.287 -0.164 0.000 0.868 37 K CB 2.624 35.028 32.500 -0.160 0.000 1.083 37 K HN 0.102 nan 8.250 nan 0.000 0.443 38 P HA 0.222 nan 4.420 nan 0.000 0.286 38 P C -1.490 175.171 177.300 -1.066 0.000 1.261 38 P CA -0.424 62.319 63.100 -0.596 0.000 0.821 38 P CB 0.690 32.097 31.700 -0.489 0.000 1.013 39 Y N 0.762 120.760 120.300 -0.503 0.000 2.442 39 Y HA 0.458 5.008 4.550 -0.000 0.000 0.344 39 Y C -0.126 175.346 175.900 -0.713 0.000 0.976 39 Y CA -0.451 57.356 58.100 -0.488 0.000 1.040 39 Y CB 1.953 40.325 38.460 -0.146 0.000 1.228 39 Y HN 0.292 nan 8.280 nan 0.000 0.451 40 Y N 2.203 122.256 120.300 -0.411 0.000 2.468 40 Y HA 0.726 5.276 4.550 -0.000 0.000 0.342 40 Y C -1.077 174.320 175.900 -0.839 0.000 1.021 40 Y CA -1.285 56.598 58.100 -0.362 0.000 1.079 40 Y CB 1.723 40.093 38.460 -0.150 0.000 1.226 40 Y HN 0.384 nan 8.280 nan 0.000 0.460 41 F N 0.255 120.311 119.950 0.175 0.000 2.581 41 F HA 0.625 5.152 4.527 -0.000 0.000 0.311 41 F C -0.382 175.314 175.800 -0.173 0.000 1.113 41 F CA -0.929 56.996 58.000 -0.126 0.000 0.935 41 F CB 2.432 41.375 39.000 -0.095 0.000 1.232 41 F HN 0.388 nan 8.300 nan 0.000 0.445 42 T N -1.447 112.912 114.554 -0.325 0.000 2.903 42 T HA 0.675 5.024 4.350 -0.000 0.000 0.299 42 T C -1.577 172.967 174.700 -0.260 0.000 1.093 42 T CA -0.765 61.301 62.100 -0.055 0.000 1.002 42 T CB 1.975 70.882 68.868 0.065 0.000 1.127 42 T HN 0.627 nan 8.240 nan 0.000 0.488 43 W N 0.327 121.708 121.300 0.134 0.000 3.256 43 W HA 0.499 5.159 4.660 -0.000 0.000 0.324 43 W C 0.749 177.283 176.519 0.025 0.000 1.196 43 W CA -0.229 57.155 57.345 0.065 0.000 1.206 43 W CB 1.780 31.282 29.460 0.069 0.000 1.385 43 W HN 1.409 nan 8.180 nan 0.000 0.522 44 G N 1.445 110.312 108.800 0.112 0.000 2.601 44 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.252 44 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.252 44 G C -1.546 173.273 174.900 -0.136 0.000 1.294 44 G CA -0.366 44.659 45.100 -0.124 0.000 0.912 44 G HN 0.551 nan 8.290 nan 0.000 0.574 45 Y N 0.121 120.504 120.300 0.140 0.000 2.377 45 Y HA 0.562 5.112 4.550 -0.000 0.000 0.339 45 Y C 1.376 177.370 175.900 0.157 0.000 1.011 45 Y CA -0.358 57.815 58.100 0.122 0.000 1.093 45 Y CB 1.965 40.464 38.460 0.066 0.000 1.201 45 Y HN 0.808 nan 8.280 nan 0.000 0.455 46 A N 0.999 124.017 122.820 0.331 0.000 1.970 46 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 46 A C 0.273 178.051 177.584 0.324 0.000 1.170 46 A CA 1.317 53.487 52.037 0.222 0.000 0.645 46 A CB 0.050 19.120 19.000 0.117 0.000 0.816 46 A HN 0.676 nan 8.150 nan 0.000 0.447 47 D N -1.057 119.529 120.400 0.311 0.000 2.476 47 D HA 0.407 5.047 4.640 -0.000 0.000 0.251 47 D C 0.649 177.007 176.300 0.097 0.000 1.291 47 D CA -0.462 53.736 54.000 0.331 0.000 0.939 47 D CB 0.767 41.748 40.800 0.302 0.000 1.221 47 D HN 0.144 nan 8.370 nan 0.000 0.567 48 I N 2.293 122.912 120.570 0.082 0.000 2.142 48 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 48 I C 2.446 178.423 176.117 -0.233 0.000 1.078 48 I CA 1.230 62.425 61.300 -0.176 0.000 1.343 48 I CB -0.114 37.735 38.000 -0.251 0.000 1.046 48 I HN 0.451 nan 8.210 nan 0.000 0.405 49 A N 0.855 123.604 122.820 -0.117 0.000 1.908 49 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 49 A C 2.216 179.717 177.584 -0.139 0.000 1.181 49 A CA 1.707 53.668 52.037 -0.127 0.000 0.627 49 A CB -0.443 18.488 19.000 -0.115 0.000 0.818 49 A HN 0.368 nan 8.150 nan 0.000 0.445 50 K N -0.819 119.514 120.400 -0.113 0.000 2.444 50 K HA 0.081 4.401 4.320 -0.000 0.000 0.193 50 K C -0.323 176.178 176.600 -0.164 0.000 1.024 50 K CA 0.209 56.441 56.287 -0.092 0.000 1.077 50 K CB 0.094 32.587 32.500 -0.012 0.000 0.833 50 K HN 0.413 nan 8.250 nan 0.000 0.517 51 K N 1.704 121.882 120.400 -0.371 0.000 3.148 51 K HA -0.167 4.153 4.320 -0.000 0.000 0.267 51 K C -0.746 175.718 176.600 -0.226 0.000 0.996 51 K CA 0.462 56.322 56.287 -0.712 0.000 0.737 51 K CB -0.862 31.357 32.500 -0.468 0.000 1.308 51 K HN 0.173 nan 8.250 nan 0.000 0.470 52 Q N 0.617 120.387 119.800 -0.051 0.000 2.322 52 Q HA 0.214 4.554 4.340 -0.000 0.000 0.256 52 Q C -2.083 174.099 176.000 0.303 0.000 0.960 52 Q CA -1.900 53.977 55.803 0.123 0.000 0.934 52 Q CB 1.068 29.871 28.738 0.108 0.000 1.200 52 Q HN 0.191 nan 8.270 nan 0.000 0.435 53 P HA 0.070 nan 4.420 nan 0.000 0.274 53 P C -0.204 177.222 177.300 0.209 0.000 1.237 53 P CA -0.324 62.953 63.100 0.294 0.000 0.793 53 P CB 0.976 32.785 31.700 0.181 0.000 0.977 54 V N 2.492 122.533 119.914 0.212 0.000 2.572 54 V HA 0.239 4.359 4.120 -0.000 0.000 0.291 54 V C 1.246 177.445 176.094 0.176 0.000 1.039 54 V CA 0.681 63.120 62.300 0.231 0.000 1.055 54 V CB 0.434 32.477 31.823 0.366 0.000 0.969 54 V HN 0.890 nan 8.190 nan 0.000 0.482 55 T N 1.423 116.066 114.554 0.148 0.000 2.742 55 T HA 0.344 4.694 4.350 -0.000 0.000 0.282 55 T C 0.451 175.194 174.700 0.072 0.000 1.025 55 T CA -0.719 61.428 62.100 0.078 0.000 1.020 55 T CB 1.638 70.524 68.868 0.030 0.000 1.317 55 T HN 0.428 nan 8.240 nan 0.000 0.538 56 Q N -0.345 119.438 119.800 -0.028 0.000 2.488 56 Q HA 0.021 4.361 4.340 -0.000 0.000 0.211 56 Q C 1.517 177.464 176.000 -0.089 0.000 0.967 56 Q CA 0.718 56.457 55.803 -0.107 0.000 0.926 56 Q CB 0.067 28.640 28.738 -0.276 0.000 0.992 56 Q HN 0.482 nan 8.270 nan 0.000 0.506 57 Q N -0.244 119.515 119.800 -0.069 0.000 2.282 57 Q HA 0.090 4.430 4.340 -0.000 0.000 0.206 57 Q C 0.031 176.016 176.000 -0.025 0.000 0.878 57 Q CA 0.294 56.026 55.803 -0.119 0.000 0.944 57 Q CB 0.919 29.556 28.738 -0.167 0.000 1.100 57 Q HN 0.174 nan 8.270 nan 0.000 0.509 58 T N 1.948 116.540 114.554 0.062 0.000 2.834 58 T HA 0.214 4.564 4.350 -0.000 0.000 0.298 58 T C 0.053 174.817 174.700 0.107 0.000 0.966 58 T CA -0.086 62.050 62.100 0.061 0.000 1.141 58 T CB 0.404 69.305 68.868 0.054 0.000 0.905 58 T HN -0.031 nan 8.240 nan 0.000 0.535 59 L N 4.321 125.562 121.223 0.031 0.000 2.292 59 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 59 L C -0.402 176.483 176.870 0.026 0.000 1.065 59 L CA 0.008 54.883 54.840 0.059 0.000 0.806 59 L CB 0.370 42.376 42.059 -0.088 0.000 1.175 59 L HN 0.527 nan 8.230 nan 0.000 0.431 60 F N 0.509 120.494 119.950 0.058 0.000 2.538 60 F HA 0.423 4.950 4.527 -0.000 0.000 0.325 60 F C 0.458 176.038 175.800 -0.367 0.000 1.066 60 F CA -0.937 57.064 58.000 0.000 0.000 0.946 60 F CB 1.311 40.445 39.000 0.224 0.000 1.199 60 F HN 0.395 nan 8.300 nan 0.000 0.473 61 E N 2.647 122.338 120.200 -0.848 0.000 2.290 61 E HA 0.152 4.502 4.350 -0.000 0.000 0.277 61 E C 0.479 176.984 176.600 -0.158 0.000 1.035 61 E CA -0.027 56.036 56.400 -0.561 0.000 0.873 61 E CB 0.819 30.056 29.700 -0.772 0.000 1.029 61 E HN 0.610 nan 8.360 nan 0.000 0.419 62 L N 2.863 124.074 121.223 -0.021 0.000 2.418 62 L HA 0.066 4.406 4.340 -0.000 0.000 0.218 62 L C 1.402 178.362 176.870 0.151 0.000 1.125 62 L CA 0.470 55.372 54.840 0.103 0.000 0.835 62 L CB -0.840 41.286 42.059 0.111 0.000 0.953 62 L HN 0.894 nan 8.230 nan 0.000 0.454 63 G N 0.435 109.318 108.800 0.139 0.000 2.566 63 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.280 63 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.280 63 G C 0.768 175.816 174.900 0.246 0.000 1.225 63 G CA 0.285 45.504 45.100 0.197 0.000 0.966 63 G HN 0.193 nan 8.290 nan 0.000 0.560 64 S N -0.217 115.649 115.700 0.276 0.000 2.537 64 S HA 0.029 4.499 4.470 -0.000 0.000 0.240 64 S C 2.319 177.078 174.600 0.266 0.000 0.981 64 S CA 1.222 59.621 58.200 0.331 0.000 0.948 64 S CB -0.088 63.382 63.200 0.449 0.000 0.759 64 S HN 0.775 nan 8.310 nan 0.000 0.531 65 V N 1.669 121.717 119.914 0.224 0.000 2.867 65 V HA -0.128 3.992 4.120 -0.000 0.000 0.260 65 V C 2.075 178.296 176.094 0.211 0.000 1.099 65 V CA 1.370 63.780 62.300 0.183 0.000 1.122 65 V CB -0.777 31.173 31.823 0.213 0.000 0.708 65 V HN 0.461 nan 8.190 nan 0.000 0.490 66 S N -0.270 115.576 115.700 0.244 0.000 2.419 66 S HA -0.202 4.268 4.470 -0.000 0.000 0.233 66 S C 1.907 176.675 174.600 0.280 0.000 1.016 66 S CA 1.135 59.506 58.200 0.285 0.000 0.974 66 S CB -0.238 63.062 63.200 0.166 0.000 0.786 66 S HN 0.638 nan 8.310 nan 0.000 0.492 67 K N 0.988 121.514 120.400 0.211 0.000 2.280 67 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 67 K C 2.419 179.066 176.600 0.079 0.000 1.047 67 K CA 1.571 57.967 56.287 0.181 0.000 0.942 67 K CB -0.430 32.208 32.500 0.230 0.000 0.739 67 K HN 0.607 nan 8.250 nan 0.000 0.457 68 T N -1.327 113.177 114.554 -0.084 0.000 2.904 68 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 68 T C 1.725 176.451 174.700 0.043 0.000 1.059 68 T CA 0.791 62.660 62.100 -0.384 0.000 1.137 68 T CB -0.343 67.881 68.868 -1.074 0.000 0.879 68 T HN 0.028 nan 8.240 nan 0.000 0.467 69 F N 2.076 122.085 119.950 0.098 0.000 2.206 69 F HA 0.067 4.594 4.527 0.000 0.000 0.298 69 F C 2.992 178.854 175.800 0.103 0.000 1.090 69 F CA 1.219 59.238 58.000 0.032 0.000 1.323 69 F CB -1.012 37.874 39.000 -0.190 0.000 1.028 69 F HN 0.125 nan 8.300 nan 0.000 0.492 70 T N -0.552 114.202 114.554 0.333 0.000 2.746 70 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 70 T C 2.371 177.263 174.700 0.320 0.000 1.039 70 T CA 1.414 63.719 62.100 0.342 0.000 1.142 70 T CB -0.998 68.075 68.868 0.341 0.000 0.866 70 T HN 0.440 nan 8.240 nan 0.000 0.444 71 G N 0.905 109.860 108.800 0.259 0.000 2.418 71 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 71 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 71 G C 1.684 176.744 174.900 0.266 0.000 1.158 71 G CA 0.768 46.014 45.100 0.243 0.000 0.771 71 G HN 0.437 nan 8.290 nan 0.000 0.545 72 V N 0.516 120.597 119.914 0.278 0.000 2.427 72 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 72 V C 2.640 178.856 176.094 0.203 0.000 1.051 72 V CA 1.438 63.907 62.300 0.282 0.000 1.048 72 V CB -0.205 31.877 31.823 0.433 0.000 0.666 72 V HN 0.346 nan 8.190 nan 0.000 0.456 73 L N 1.270 122.589 121.223 0.160 0.000 2.093 73 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 73 L C 2.302 179.191 176.870 0.031 0.000 1.085 73 L CA 2.361 57.217 54.840 0.026 0.000 0.755 73 L CB -1.185 40.810 42.059 -0.106 0.000 0.904 73 L HN 0.255 nan 8.230 nan 0.000 0.435 74 G N -1.144 107.735 108.800 0.132 0.000 2.408 74 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 74 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 74 G C 1.525 176.530 174.900 0.176 0.000 1.150 74 G CA 0.499 45.688 45.100 0.149 0.000 0.776 74 G HN 0.575 nan 8.290 nan 0.000 0.542 75 G N 0.672 109.587 108.800 0.191 0.000 2.440 75 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 75 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 75 G C 1.443 176.398 174.900 0.093 0.000 1.154 75 G CA 1.388 46.578 45.100 0.149 0.000 0.767 75 G HN 0.508 nan 8.290 nan 0.000 0.552 76 D N 0.397 120.840 120.400 0.071 0.000 2.144 76 D HA 0.072 4.712 4.640 -0.000 0.000 0.200 76 D C 2.649 178.953 176.300 0.006 0.000 0.978 76 D CA 1.338 55.358 54.000 0.033 0.000 0.833 76 D CB -0.241 40.568 40.800 0.016 0.000 0.961 76 D HN 0.242 nan 8.370 nan 0.000 0.470 77 A N 0.033 122.845 122.820 -0.013 0.000 1.930 77 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 77 A C 2.300 179.877 177.584 -0.011 0.000 1.175 77 A CA 0.907 52.920 52.037 -0.040 0.000 0.627 77 A CB -0.700 18.240 19.000 -0.101 0.000 0.815 77 A HN 0.374 nan 8.150 nan 0.000 0.443 78 I N -0.210 120.372 120.570 0.020 0.000 2.179 78 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 78 I C 2.965 179.104 176.117 0.036 0.000 1.088 78 I CA 1.116 62.439 61.300 0.040 0.000 1.357 78 I CB -0.361 37.682 38.000 0.072 0.000 1.051 78 I HN 0.345 nan 8.210 nan 0.000 0.409 79 A N 0.734 123.575 122.820 0.036 0.000 1.933 79 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 79 A C 2.297 179.892 177.584 0.017 0.000 1.175 79 A CA 1.412 53.466 52.037 0.028 0.000 0.628 79 A CB -0.571 18.446 19.000 0.028 0.000 0.814 79 A HN 0.341 nan 8.150 nan 0.000 0.444 80 R N -1.334 119.172 120.500 0.009 0.000 2.339 80 R HA 0.132 4.472 4.340 -0.000 0.000 0.199 80 R C 1.309 177.614 176.300 0.009 0.000 1.018 80 R CA 0.533 56.634 56.100 0.003 0.000 1.036 80 R CB -0.245 30.049 30.300 -0.010 0.000 0.899 80 R HN 0.709 nan 8.270 nan 0.000 0.473 81 G N 0.943 109.755 108.800 0.019 0.000 2.153 81 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.252 81 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.252 81 G C 0.521 175.445 174.900 0.040 0.000 0.994 81 G CA 0.592 45.710 45.100 0.030 0.000 0.698 81 G HN 0.460 nan 8.290 nan 0.000 0.521 82 E N -0.604 119.613 120.200 0.028 0.000 2.170 82 E HA 0.265 4.615 4.350 -0.000 0.000 0.191 82 E C 1.511 178.160 176.600 0.083 0.000 0.981 82 E CA 1.125 57.549 56.400 0.041 0.000 0.830 82 E CB 0.187 29.885 29.700 -0.003 0.000 0.775 82 E HN 0.908 nan 8.360 nan 0.000 0.470 83 I N -2.863 117.725 120.570 0.031 0.000 3.095 83 I HA 0.497 4.667 4.170 -0.000 0.000 0.310 83 I C -1.445 174.709 176.117 0.062 0.000 1.196 83 I CA -1.238 60.066 61.300 0.006 0.000 0.985 83 I CB 2.322 40.115 38.000 -0.344 0.000 1.250 83 I HN -0.354 nan 8.210 nan 0.000 0.446 84 K N 2.647 123.119 120.400 0.120 0.000 2.422 84 K HA 0.504 4.824 4.320 -0.000 0.000 0.251 84 K C 0.027 176.690 176.600 0.104 0.000 0.933 84 K CA -0.767 55.587 56.287 0.111 0.000 0.798 84 K CB 2.939 35.517 32.500 0.129 0.000 1.238 84 K HN 0.614 nan 8.250 nan 0.000 0.428 85 L N 1.020 122.287 121.223 0.073 0.000 2.362 85 L HA -0.140 4.200 4.340 -0.000 0.000 0.219 85 L C 1.892 178.783 176.870 0.035 0.000 1.134 85 L CA 1.183 56.046 54.840 0.038 0.000 0.807 85 L CB -0.219 41.815 42.059 -0.041 0.000 0.927 85 L HN 0.690 nan 8.230 nan 0.000 0.447 86 S N -2.749 112.987 115.700 0.060 0.000 2.562 86 S HA 0.022 4.492 4.470 -0.000 0.000 0.221 86 S C 0.560 175.222 174.600 0.104 0.000 0.975 86 S CA -0.288 57.947 58.200 0.058 0.000 0.918 86 S CB -0.297 62.936 63.200 0.056 0.000 0.772 86 S HN 0.209 nan 8.310 nan 0.000 0.531 87 D N 3.476 123.975 120.400 0.165 0.000 2.341 87 D HA 0.382 5.022 4.640 -0.000 0.000 0.245 87 D C -2.655 173.791 176.300 0.244 0.000 1.106 87 D CA -1.768 52.366 54.000 0.224 0.000 0.905 87 D CB 0.761 41.793 40.800 0.386 0.000 1.202 87 D HN 0.112 nan 8.370 nan 0.000 0.426 88 P HA 0.055 nan 4.420 nan 0.000 0.268 88 P C 0.724 178.189 177.300 0.273 0.000 1.205 88 P CA -0.012 63.218 63.100 0.216 0.000 0.771 88 P CB 0.608 32.398 31.700 0.150 0.000 0.858 89 T N 0.760 115.499 114.554 0.308 0.000 2.737 89 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 89 T C 1.521 176.362 174.700 0.234 0.000 1.040 89 T CA 2.012 64.294 62.100 0.304 0.000 1.142 89 T CB -0.863 68.191 68.868 0.309 0.000 0.861 89 T HN 0.482 nan 8.240 nan 0.000 0.456 90 T N 1.393 116.040 114.554 0.155 0.000 2.929 90 T HA -0.055 4.295 4.350 -0.000 0.000 0.271 90 T C 1.832 176.546 174.700 0.024 0.000 1.085 90 T CA 0.946 63.087 62.100 0.069 0.000 1.125 90 T CB -0.143 68.751 68.868 0.043 0.000 0.874 90 T HN 0.454 nan 8.240 nan 0.000 0.494 91 K N 0.284 120.659 120.400 -0.042 0.000 2.147 91 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 91 K C 1.039 177.345 176.600 -0.489 0.000 1.049 91 K CA 1.350 57.450 56.287 -0.311 0.000 0.936 91 K CB -0.084 32.107 32.500 -0.514 0.000 0.722 91 K HN 0.456 nan 8.250 nan 0.000 0.446 92 Y N -2.532 117.806 120.300 0.062 0.000 2.467 92 Y HA 0.130 4.680 4.550 -0.000 0.000 0.250 92 Y C 0.108 176.059 175.900 0.085 0.000 1.155 92 Y CA -0.622 57.499 58.100 0.035 0.000 1.249 92 Y CB 0.603 39.055 38.460 -0.014 0.000 1.146 92 Y HN 0.117 nan 8.280 nan 0.000 0.524 93 W N 2.317 123.607 121.300 -0.015 0.000 2.162 93 W HA 0.407 5.067 4.660 -0.000 0.000 0.292 93 W C -2.561 173.905 176.519 -0.089 0.000 0.998 93 W CA -3.696 53.605 57.345 -0.073 0.000 1.570 93 W CB 0.977 30.349 29.460 -0.147 0.000 1.644 93 W HN -0.096 nan 8.180 nan 0.000 0.360 94 P HA -0.233 nan 4.420 nan 0.000 0.217 94 P C 1.135 178.400 177.300 -0.058 0.000 1.148 94 P CA 2.098 65.214 63.100 0.026 0.000 0.828 94 P CB 0.521 32.242 31.700 0.035 0.000 0.783 95 E N -1.034 119.118 120.200 -0.080 0.000 2.268 95 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 95 E C 0.727 177.051 176.600 -0.460 0.000 0.995 95 E CA 0.344 56.615 56.400 -0.215 0.000 0.836 95 E CB -0.768 28.859 29.700 -0.122 0.000 0.763 95 E HN 0.152 nan 8.360 nan 0.000 0.491 96 L N 1.757 122.558 121.223 -0.704 0.000 2.384 96 L HA 0.104 4.444 4.340 -0.000 0.000 0.258 96 L C 0.755 177.402 176.870 -0.373 0.000 1.266 96 L CA 0.381 54.746 54.840 -0.792 0.000 1.162 96 L CB -0.225 41.154 42.059 -1.133 0.000 1.375 96 L HN 0.042 nan 8.230 nan 0.000 0.420 97 T N -0.319 114.100 114.554 -0.225 0.000 3.081 97 T HA 0.359 4.709 4.350 -0.000 0.000 0.250 97 T C 0.926 175.636 174.700 0.018 0.000 1.100 97 T CA 0.216 62.271 62.100 -0.075 0.000 1.038 97 T CB -0.026 68.804 68.868 -0.063 0.000 0.962 97 T HN 0.539 nan 8.240 nan 0.000 0.516 98 A N 2.725 125.582 122.820 0.063 0.000 2.498 98 A HA 0.306 4.626 4.320 -0.000 0.000 0.239 98 A C 1.698 179.404 177.584 0.204 0.000 1.068 98 A CA -0.098 52.028 52.037 0.149 0.000 0.766 98 A CB 0.276 19.398 19.000 0.203 0.000 1.003 98 A HN 0.608 nan 8.150 nan 0.000 0.497 99 K N 1.607 122.069 120.400 0.104 0.000 2.211 99 K HA -0.231 4.089 4.320 -0.000 0.000 0.204 99 K C 1.392 178.023 176.600 0.052 0.000 1.047 99 K CA 1.639 57.969 56.287 0.072 0.000 0.935 99 K CB -0.122 32.391 32.500 0.022 0.000 0.728 99 K HN 0.828 nan 8.250 nan 0.000 0.452 100 Q N 0.269 120.065 119.800 -0.007 0.000 2.437 100 Q HA -0.155 4.185 4.340 -0.000 0.000 0.210 100 Q C 0.864 176.742 176.000 -0.204 0.000 0.972 100 Q CA 1.119 56.817 55.803 -0.175 0.000 0.903 100 Q CB -0.447 28.067 28.738 -0.373 0.000 0.967 100 Q HN 0.587 nan 8.270 nan 0.000 0.486 101 W N 1.705 123.055 121.300 0.084 0.000 3.003 101 W HA 0.173 4.833 4.660 -0.000 0.000 0.257 101 W C 0.217 176.801 176.519 0.109 0.000 1.308 101 W CA -0.584 56.839 57.345 0.130 0.000 1.529 101 W CB 0.196 29.716 29.460 0.099 0.000 1.115 101 W HN -0.026 nan 8.180 nan 0.000 0.659 102 N N 0.764 119.593 118.700 0.216 0.000 2.468 102 N HA 0.198 4.937 4.740 -0.000 0.000 0.265 102 N C 1.111 176.711 175.510 0.150 0.000 1.199 102 N CA 1.626 54.776 53.050 0.167 0.000 0.928 102 N CB 0.856 39.406 38.487 0.106 0.000 1.059 102 N HN 0.252 nan 8.380 nan 0.000 0.467 103 G N 1.778 110.688 108.800 0.184 0.000 2.194 103 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 103 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 103 G C 0.120 175.194 174.900 0.289 0.000 0.987 103 G CA -0.407 44.811 45.100 0.197 0.000 0.635 103 G HN 0.545 nan 8.290 nan 0.000 0.520 104 I N 2.983 123.745 120.570 0.321 0.000 2.312 104 I HA 0.415 4.584 4.170 -0.000 0.000 0.291 104 I C 1.136 177.557 176.117 0.506 0.000 1.031 104 I CA 0.119 61.692 61.300 0.455 0.000 1.293 104 I CB 1.244 39.458 38.000 0.357 0.000 1.403 104 I HN 0.310 nan 8.210 nan 0.000 0.484 105 T N 3.064 117.946 114.554 0.546 0.000 2.923 105 T HA 0.454 4.804 4.350 -0.000 0.000 0.281 105 T C 1.236 176.056 174.700 0.201 0.000 0.995 105 T CA -0.869 61.376 62.100 0.242 0.000 0.985 105 T CB 1.476 70.355 68.868 0.020 0.000 1.114 105 T HN 0.413 nan 8.240 nan 0.000 0.548 106 L N 0.307 121.636 121.223 0.176 0.000 2.079 106 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 106 L C 2.566 179.447 176.870 0.019 0.000 1.081 106 L CA 0.997 55.953 54.840 0.192 0.000 0.752 106 L CB -0.802 41.388 42.059 0.218 0.000 0.896 106 L HN 0.606 nan 8.230 nan 0.000 0.433 107 L N -0.222 120.945 121.223 -0.093 0.000 2.012 107 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 107 L C 2.396 179.215 176.870 -0.085 0.000 1.073 107 L CA 1.994 56.711 54.840 -0.205 0.000 0.748 107 L CB -0.709 41.232 42.059 -0.197 0.000 0.891 107 L HN 0.246 nan 8.230 nan 0.000 0.431 108 H N -1.086 118.052 119.070 0.112 0.000 2.352 108 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 108 H C 2.241 177.572 175.328 0.005 0.000 1.097 108 H CA 1.711 57.818 56.048 0.099 0.000 1.311 108 H CB -0.191 29.654 29.762 0.138 0.000 1.377 108 H HN 0.330 nan 8.280 nan 0.000 0.504 109 L N 0.119 121.433 121.223 0.151 0.000 2.017 109 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 109 L C 2.823 179.615 176.870 -0.131 0.000 1.073 109 L CA 0.824 55.715 54.840 0.085 0.000 0.745 109 L CB -0.488 41.685 42.059 0.189 0.000 0.894 109 L HN 0.346 nan 8.230 nan 0.000 0.432 110 A N -0.291 122.290 122.820 -0.398 0.000 2.019 110 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 110 A C 2.065 179.229 177.584 -0.700 0.000 1.164 110 A CA 2.007 53.559 52.037 -0.808 0.000 0.644 110 A CB -0.673 17.423 19.000 -1.506 0.000 0.805 110 A HN 0.525 nan 8.150 nan 0.000 0.449 111 T N -6.405 107.849 114.554 -0.499 0.000 3.129 111 T HA 0.328 4.678 4.350 -0.000 0.000 0.267 111 T C 0.275 174.757 174.700 -0.363 0.000 1.018 111 T CA 0.213 62.044 62.100 -0.449 0.000 0.903 111 T CB -0.820 68.084 68.868 0.059 0.000 1.067 111 T HN 0.676 nan 8.240 nan 0.000 0.549 112 Y N 0.959 121.241 120.300 -0.030 0.000 4.177 112 Y HA -0.279 4.271 4.550 0.000 0.000 0.227 112 Y C 1.158 177.014 175.900 -0.073 0.000 1.154 112 Y CA 0.551 58.628 58.100 -0.038 0.000 1.887 112 Y CB -2.913 35.533 38.460 -0.024 0.000 1.594 112 Y HN 0.595 nan 8.280 nan 0.000 0.668 113 T N -4.198 110.350 114.554 -0.011 0.000 3.215 113 T HA 0.655 5.005 4.350 -0.000 0.000 0.271 113 T C 1.329 175.986 174.700 -0.071 0.000 1.012 113 T CA 0.138 62.148 62.100 -0.149 0.000 0.899 113 T CB 0.819 69.365 68.868 -0.538 0.000 1.089 113 T HN 0.475 nan 8.240 nan 0.000 0.552 114 A N 1.289 124.134 122.820 0.042 0.000 2.119 114 A HA 0.571 4.891 4.320 -0.000 0.000 0.217 114 A C 1.890 179.537 177.584 0.104 0.000 1.153 114 A CA 0.619 52.668 52.037 0.019 0.000 0.692 114 A CB -0.781 18.244 19.000 0.041 0.000 0.799 114 A HN 1.453 nan 8.150 nan 0.000 0.458 115 G N -3.153 105.782 108.800 0.225 0.000 2.188 115 G HA2 0.398 4.358 3.960 -0.000 0.000 0.112 115 G HA3 0.398 4.358 3.960 -0.000 0.000 0.112 115 G C 0.981 176.200 174.900 0.532 0.000 1.048 115 G CA 0.352 45.685 45.100 0.388 0.000 0.720 115 G HN 1.972 nan 8.290 nan 0.000 0.487 116 G N -0.850 108.281 108.800 0.551 0.000 2.145 116 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.176 116 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.176 116 G C 0.428 175.584 174.900 0.427 0.000 1.013 116 G CA -0.023 45.353 45.100 0.460 0.000 0.689 116 G HN 1.225 nan 8.290 nan 0.000 0.506 117 L N 2.010 123.334 121.223 0.168 0.000 2.525 117 L HA 0.244 4.584 4.340 -0.000 0.000 0.278 117 L C -0.777 176.148 176.870 0.091 0.000 1.218 117 L CA -1.213 53.521 54.840 -0.177 0.000 0.878 117 L CB 0.397 42.299 42.059 -0.262 0.000 1.127 117 L HN 0.112 nan 8.230 nan 0.000 0.492 118 P HA -0.048 nan 4.420 nan 0.000 0.272 118 P C 0.556 177.909 177.300 0.089 0.000 1.223 118 P CA -0.514 62.681 63.100 0.157 0.000 0.784 118 P CB 1.125 32.954 31.700 0.215 0.000 0.923 119 L N 1.374 122.627 121.223 0.050 0.000 1.997 119 L HA -0.175 4.165 4.340 -0.000 0.000 0.216 119 L C 0.942 177.820 176.870 0.013 0.000 1.074 119 L CA 2.088 56.899 54.840 -0.047 0.000 0.763 119 L CB -0.841 41.209 42.059 -0.015 0.000 0.890 119 L HN 0.400 nan 8.230 nan 0.000 0.434 120 Q N -0.549 119.305 119.800 0.090 0.000 2.306 120 Q HA 0.398 4.738 4.340 -0.000 0.000 0.265 120 Q C -0.761 175.245 176.000 0.009 0.000 1.022 120 Q CA -0.820 55.062 55.803 0.132 0.000 0.853 120 Q CB 2.003 30.798 28.738 0.095 0.000 1.327 120 Q HN -0.013 nan 8.270 nan 0.000 0.449 121 V N 3.325 123.211 119.914 -0.047 0.000 2.614 121 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 121 V C -1.983 173.923 176.094 -0.314 0.000 1.049 121 V CA -1.274 60.808 62.300 -0.362 0.000 1.038 121 V CB 0.636 32.276 31.823 -0.305 0.000 0.980 121 V HN 0.616 nan 8.190 nan 0.000 0.481 122 P HA 0.036 nan 4.420 nan 0.000 0.265 122 P C 0.314 177.522 177.300 -0.152 0.000 1.187 122 P CA -0.031 62.933 63.100 -0.226 0.000 0.766 122 P CB 0.419 31.991 31.700 -0.214 0.000 0.820 123 D N 2.355 122.712 120.400 -0.070 0.000 2.149 123 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 123 D C 1.094 177.374 176.300 -0.033 0.000 1.001 123 D CA 1.666 55.645 54.000 -0.035 0.000 0.849 123 D CB -0.367 40.426 40.800 -0.011 0.000 0.939 123 D HN 0.519 nan 8.370 nan 0.000 0.449 124 E N 0.080 120.260 120.200 -0.034 0.000 2.478 124 E HA 0.038 4.388 4.350 -0.000 0.000 0.198 124 E C 0.134 176.719 176.600 -0.024 0.000 1.046 124 E CA -0.052 56.337 56.400 -0.018 0.000 0.870 124 E CB 0.246 29.944 29.700 -0.004 0.000 0.818 124 E HN 0.063 nan 8.360 nan 0.000 0.527 125 V N 1.571 121.448 119.914 -0.062 0.000 2.455 125 V HA 0.067 4.187 4.120 -0.000 0.000 0.273 125 V C 0.841 176.916 176.094 -0.032 0.000 1.045 125 V CA 0.463 62.729 62.300 -0.058 0.000 0.976 125 V CB 1.215 32.943 31.823 -0.159 0.000 0.993 125 V HN 0.154 nan 8.190 nan 0.000 0.475 126 K N 2.103 122.503 120.400 0.000 0.000 2.625 126 K HA 0.168 4.488 4.320 -0.000 0.000 0.202 126 K C 0.939 177.549 176.600 0.017 0.000 1.412 126 K CA 0.268 56.558 56.287 0.004 0.000 0.989 126 K CB 0.320 32.824 32.500 0.007 0.000 1.682 126 K HN 0.678 nan 8.250 nan 0.000 0.496 127 S N 0.983 116.702 115.700 0.031 0.000 2.608 127 S HA 0.014 4.484 4.470 -0.000 0.000 0.261 127 S C 1.290 175.930 174.600 0.066 0.000 1.314 127 S CA 0.016 58.240 58.200 0.040 0.000 0.992 127 S CB 1.351 64.577 63.200 0.043 0.000 0.935 127 S HN 0.288 nan 8.310 nan 0.000 0.564 128 S N 0.496 116.235 115.700 0.066 0.000 2.402 128 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 128 S C 1.942 176.643 174.600 0.168 0.000 1.021 128 S CA 1.080 59.342 58.200 0.103 0.000 0.974 128 S CB -1.054 62.187 63.200 0.069 0.000 0.800 128 S HN 0.796 nan 8.310 nan 0.000 0.484 129 S N 1.875 117.650 115.700 0.124 0.000 2.368 129 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 129 S C 1.530 176.213 174.600 0.138 0.000 1.029 129 S CA 1.404 59.679 58.200 0.124 0.000 0.988 129 S CB -0.783 62.467 63.200 0.083 0.000 0.838 129 S HN 0.534 nan 8.310 nan 0.000 0.462 130 D N 1.053 121.524 120.400 0.120 0.000 2.117 130 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 130 D C 1.876 178.287 176.300 0.186 0.000 0.987 130 D CA 0.755 54.828 54.000 0.121 0.000 0.829 130 D CB -0.498 40.349 40.800 0.078 0.000 0.961 130 D HN 0.325 nan 8.370 nan 0.000 0.460 131 L N 0.481 121.841 121.223 0.227 0.000 2.056 131 L HA -0.097 4.242 4.340 -0.000 0.000 0.207 131 L C 2.158 179.348 176.870 0.533 0.000 1.078 131 L CA 1.056 56.115 54.840 0.366 0.000 0.749 131 L CB -0.562 41.716 42.059 0.364 0.000 0.901 131 L HN 0.009 nan 8.230 nan 0.000 0.433 132 L N -0.425 121.076 121.223 0.464 0.000 2.017 132 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 132 L C 2.693 179.634 176.870 0.118 0.000 1.073 132 L CA 1.854 56.848 54.840 0.256 0.000 0.745 132 L CB -0.672 41.483 42.059 0.161 0.000 0.894 132 L HN 0.250 nan 8.230 nan 0.000 0.432 133 R N -1.540 119.047 120.500 0.146 0.000 2.083 133 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 133 R C 2.301 178.689 176.300 0.147 0.000 1.137 133 R CA 2.036 58.204 56.100 0.114 0.000 0.951 133 R CB -0.617 29.752 30.300 0.116 0.000 0.851 133 R HN 0.463 nan 8.270 nan 0.000 0.434 134 F N 0.112 120.091 119.950 0.048 0.000 2.069 134 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 134 F C 1.516 177.345 175.800 0.048 0.000 1.113 134 F CA 1.608 59.598 58.000 -0.018 0.000 1.214 134 F CB -0.683 38.213 39.000 -0.175 0.000 0.978 134 F HN 0.031 nan 8.300 nan 0.000 0.474 135 Y N 0.434 120.704 120.300 -0.049 0.000 2.293 135 Y HA -0.156 4.394 4.550 0.000 0.000 0.291 135 Y C 2.608 178.627 175.900 0.198 0.000 1.137 135 Y CA 1.453 59.546 58.100 -0.012 0.000 1.202 135 Y CB -0.894 37.546 38.460 -0.034 0.000 0.990 135 Y HN 0.151 nan 8.280 nan 0.000 0.537 136 Q N -0.045 119.842 119.800 0.145 0.000 2.224 136 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 136 Q C 1.193 177.293 176.000 0.168 0.000 0.970 136 Q CA 1.295 57.178 55.803 0.133 0.000 0.865 136 Q CB -0.433 28.299 28.738 -0.010 0.000 0.922 136 Q HN 0.664 nan 8.270 nan 0.000 0.445 137 N N -0.931 117.831 118.700 0.104 0.000 2.353 137 N HA -0.028 4.712 4.740 -0.000 0.000 0.185 137 N C -0.142 175.385 175.510 0.028 0.000 1.098 137 N CA -0.403 52.678 53.050 0.051 0.000 0.872 137 N CB 0.242 38.755 38.487 0.043 0.000 0.970 137 N HN 0.152 nan 8.380 nan 0.000 0.467 138 W N 2.768 123.967 121.300 -0.168 0.000 2.253 138 W HA 0.118 4.778 4.660 -0.000 0.000 0.322 138 W C -0.595 175.820 176.519 -0.173 0.000 1.342 138 W CA -0.074 57.131 57.345 -0.233 0.000 1.218 138 W CB 0.584 29.843 29.460 -0.336 0.000 1.205 138 W HN -0.089 nan 8.180 nan 0.000 0.551 139 Q N 8.232 127.435 119.800 -0.995 0.000 2.331 139 Q HA 0.333 4.673 4.340 -0.000 0.000 0.267 139 Q C -2.086 172.987 176.000 -1.544 0.000 1.006 139 Q CA -2.074 53.095 55.803 -1.057 0.000 0.818 139 Q CB 1.488 29.901 28.738 -0.542 0.000 1.276 139 Q HN 0.399 nan 8.270 nan 0.000 0.450 140 P HA 0.092 nan 4.420 nan 0.000 0.271 140 P C -0.270 176.636 177.300 -0.657 0.000 1.218 140 P CA 0.056 62.491 63.100 -1.109 0.000 0.780 140 P CB 1.026 32.249 31.700 -0.795 0.000 0.901 141 A N 2.801 125.249 122.820 -0.621 0.000 2.021 141 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 141 A C 0.460 177.355 177.584 -1.148 0.000 1.163 141 A CA 0.655 52.076 52.037 -1.028 0.000 0.676 141 A CB -0.202 17.783 19.000 -1.691 0.000 0.818 141 A HN 0.603 nan 8.150 nan 0.000 0.453 142 W N -2.936 118.319 121.300 -0.076 0.000 3.042 142 W HA 0.637 5.297 4.660 -0.000 0.000 0.342 142 W C -0.037 176.425 176.519 -0.094 0.000 1.240 142 W CA -1.201 56.099 57.345 -0.074 0.000 1.166 142 W CB 0.900 30.330 29.460 -0.049 0.000 1.469 142 W HN 0.123 nan 8.180 nan 0.000 0.579 143 A N 2.262 125.173 122.820 0.153 0.000 2.366 143 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 143 A C -2.229 175.362 177.584 0.011 0.000 1.084 143 A CA -0.825 51.236 52.037 0.040 0.000 0.794 143 A CB -0.735 18.287 19.000 0.037 0.000 1.034 143 A HN 0.127 nan 8.150 nan 0.000 0.491 144 P HA 0.294 nan 4.420 nan 0.000 0.269 144 P C 0.788 177.948 177.300 -0.233 0.000 1.209 144 P CA 1.504 64.432 63.100 -0.288 0.000 0.776 144 P CB 0.506 31.938 31.700 -0.446 0.000 0.876 145 G N 1.340 109.944 108.800 -0.326 0.000 2.198 145 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 145 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 145 G C 0.635 175.482 174.900 -0.089 0.000 1.025 145 G CA 0.791 45.869 45.100 -0.037 0.000 0.769 145 G HN 0.714 nan 8.290 nan 0.000 0.507 146 T N -5.194 109.263 114.554 -0.161 0.000 2.989 146 T HA 0.439 4.789 4.350 -0.000 0.000 0.250 146 T C 0.541 175.089 174.700 -0.253 0.000 0.981 146 T CA 0.778 62.803 62.100 -0.125 0.000 0.980 146 T CB 0.665 69.506 68.868 -0.047 0.000 1.133 146 T HN 0.287 nan 8.240 nan 0.000 0.489 147 Q N 0.943 120.549 119.800 -0.324 0.000 2.331 147 Q HA 0.467 4.807 4.340 -0.000 0.000 0.272 147 Q C -1.396 174.401 176.000 -0.339 0.000 1.062 147 Q CA -0.512 55.021 55.803 -0.450 0.000 0.806 147 Q CB 3.190 31.374 28.738 -0.923 0.000 1.312 147 Q HN 0.389 nan 8.270 nan 0.000 0.431 148 R N 2.246 122.574 120.500 -0.286 0.000 2.229 148 R HA 0.524 4.863 4.340 -0.000 0.000 0.328 148 R C -1.177 175.085 176.300 -0.063 0.000 1.009 148 R CA -0.520 55.500 56.100 -0.133 0.000 0.864 148 R CB 0.440 30.699 30.300 -0.069 0.000 1.085 148 R HN 0.472 nan 8.270 nan 0.000 0.453 149 L N 6.053 127.307 121.223 0.052 0.000 2.427 149 L HA 0.264 4.604 4.340 -0.000 0.000 0.264 149 L C -1.371 175.514 176.870 0.025 0.000 0.989 149 L CA -0.720 54.169 54.840 0.082 0.000 0.865 149 L CB 0.998 43.202 42.059 0.241 0.000 1.209 149 L HN 0.622 nan 8.230 nan 0.000 0.430 150 Y N 4.814 124.952 120.300 -0.270 0.000 2.810 150 Y HA 0.360 4.910 4.550 -0.000 0.000 0.332 150 Y C 0.040 175.685 175.900 -0.425 0.000 1.243 150 Y CA 0.978 58.675 58.100 -0.672 0.000 1.537 150 Y CB 0.439 38.563 38.460 -0.560 0.000 1.265 150 Y HN 0.824 nan 8.280 nan 0.000 0.572 151 A N 5.806 128.069 122.820 -0.928 0.000 2.513 151 A HA 0.315 4.635 4.320 -0.000 0.000 0.296 151 A C -0.354 177.035 177.584 -0.325 0.000 1.052 151 A CA -0.783 50.982 52.037 -0.454 0.000 0.714 151 A CB 0.517 19.477 19.000 -0.067 0.000 1.279 151 A HN 0.895 nan 8.150 nan 0.000 0.397 152 H N 1.559 120.569 119.070 -0.100 0.000 2.423 152 H HA -0.102 4.454 4.556 -0.000 0.000 0.297 152 H C 2.432 177.814 175.328 0.090 0.000 1.075 152 H CA 2.104 58.172 56.048 0.034 0.000 1.342 152 H CB -0.108 29.750 29.762 0.160 0.000 1.395 152 H HN 0.771 nan 8.280 nan 0.000 0.530 153 S N -0.402 115.431 115.700 0.222 0.000 2.515 153 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 153 S C 2.251 177.030 174.600 0.299 0.000 0.987 153 S CA 0.939 59.308 58.200 0.283 0.000 0.936 153 S CB -0.017 63.358 63.200 0.292 0.000 0.766 153 S HN 0.246 nan 8.310 nan 0.000 0.528 154 S N 1.165 116.987 115.700 0.204 0.000 2.324 154 S HA 0.259 4.729 4.470 -0.000 0.000 0.210 154 S C 1.620 176.307 174.600 0.145 0.000 1.027 154 S CA 0.459 58.764 58.200 0.174 0.000 0.945 154 S CB -0.555 62.761 63.200 0.194 0.000 0.908 154 S HN 0.571 nan 8.310 nan 0.000 0.496 155 I N 1.275 121.929 120.570 0.140 0.000 2.614 155 I HA 0.012 4.182 4.170 -0.000 0.000 0.258 155 I C 2.064 178.264 176.117 0.139 0.000 1.189 155 I CA 1.096 62.462 61.300 0.110 0.000 1.462 155 I CB -0.591 37.437 38.000 0.046 0.000 1.092 155 I HN 0.481 nan 8.210 nan 0.000 0.442 156 G N 1.097 109.957 108.800 0.100 0.000 2.418 156 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 156 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 156 G C 1.529 176.384 174.900 -0.076 0.000 1.158 156 G CA 0.852 45.940 45.100 -0.020 0.000 0.771 156 G HN 0.393 nan 8.290 nan 0.000 0.545 157 L N -0.223 121.002 121.223 0.003 0.000 2.093 157 L HA 0.143 4.483 4.340 -0.000 0.000 0.208 157 L C 2.429 179.236 176.870 -0.104 0.000 1.085 157 L CA 1.497 56.269 54.840 -0.113 0.000 0.755 157 L CB -0.706 41.235 42.059 -0.197 0.000 0.904 157 L HN 0.230 nan 8.230 nan 0.000 0.435 158 F N 0.440 120.319 119.950 -0.118 0.000 2.091 158 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 158 F C 2.141 177.871 175.800 -0.118 0.000 1.103 158 F CA 1.831 59.764 58.000 -0.111 0.000 1.228 158 F CB -1.024 37.922 39.000 -0.090 0.000 0.984 158 F HN 0.115 nan 8.300 nan 0.000 0.477 159 G N -0.363 108.308 108.800 -0.215 0.000 2.418 159 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 159 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 159 G C 1.819 176.551 174.900 -0.280 0.000 1.158 159 G CA 0.858 45.801 45.100 -0.263 0.000 0.771 159 G HN 0.655 nan 8.290 nan 0.000 0.545 160 A N 0.507 123.106 122.820 -0.369 0.000 1.898 160 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 160 A C 2.415 179.816 177.584 -0.306 0.000 1.181 160 A CA 1.199 53.037 52.037 -0.331 0.000 0.620 160 A CB -0.339 18.430 19.000 -0.385 0.000 0.819 160 A HN 0.352 nan 8.150 nan 0.000 0.442 161 L N -0.994 120.016 121.223 -0.354 0.000 2.156 161 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 161 L C 3.002 179.643 176.870 -0.383 0.000 1.095 161 L CA 0.806 55.455 54.840 -0.319 0.000 0.770 161 L CB -0.591 41.322 42.059 -0.242 0.000 0.914 161 L HN 0.418 nan 8.230 nan 0.000 0.439 162 A N 0.392 122.887 122.820 -0.542 0.000 2.019 162 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 162 A C 2.131 179.514 177.584 -0.336 0.000 1.164 162 A CA 1.857 53.542 52.037 -0.587 0.000 0.644 162 A CB -0.681 17.802 19.000 -0.862 0.000 0.805 162 A HN 0.356 nan 8.150 nan 0.000 0.449 163 V N -4.010 115.768 119.914 -0.227 0.000 3.649 163 V HA 0.084 4.204 4.120 -0.000 0.000 0.275 163 V C 1.644 177.672 176.094 -0.110 0.000 1.281 163 V CA 0.808 63.020 62.300 -0.147 0.000 1.143 163 V CB -0.380 31.384 31.823 -0.098 0.000 0.892 163 V HN 0.248 nan 8.190 nan 0.000 0.441 164 K N 1.460 121.795 120.400 -0.108 0.000 2.032 164 K HA -0.048 4.272 4.320 -0.000 0.000 0.209 164 K C 0.210 176.806 176.600 -0.007 0.000 1.048 164 K CA 1.905 58.161 56.287 -0.052 0.000 0.927 164 K CB -1.770 30.716 32.500 -0.023 0.000 0.712 164 K HN 0.458 nan 8.250 nan 0.000 0.441 165 P HA -0.131 nan 4.420 nan 0.000 0.216 165 P C 1.542 178.841 177.300 -0.002 0.000 1.150 165 P CA 1.627 64.753 63.100 0.042 0.000 0.837 165 P CB -0.069 31.679 31.700 0.080 0.000 0.786 166 S N -1.570 114.110 115.700 -0.033 0.000 2.447 166 S HA 0.013 4.483 4.470 -0.000 0.000 0.233 166 S C 1.909 176.483 174.600 -0.043 0.000 1.006 166 S CA 1.169 59.341 58.200 -0.046 0.000 0.957 166 S CB -1.490 61.665 63.200 -0.074 0.000 0.773 166 S HN 0.301 nan 8.310 nan 0.000 0.507 167 G N 0.636 109.411 108.800 -0.041 0.000 2.179 167 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 167 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 167 G C 0.016 174.886 174.900 -0.049 0.000 0.977 167 G CA 0.482 45.559 45.100 -0.039 0.000 0.641 167 G HN 0.577 nan 8.290 nan 0.000 0.533 168 L N 1.679 122.863 121.223 -0.065 0.000 2.399 168 L HA 0.560 4.900 4.340 -0.000 0.000 0.266 168 L C 1.523 178.348 176.870 -0.075 0.000 1.114 168 L CA -0.191 54.603 54.840 -0.077 0.000 0.804 168 L CB 1.263 43.260 42.059 -0.105 0.000 1.146 168 L HN 0.410 nan 8.230 nan 0.000 0.451 169 S N 0.442 116.102 115.700 -0.067 0.000 2.600 169 S HA 0.051 4.521 4.470 -0.000 0.000 0.265 169 S C 0.813 175.385 174.600 -0.047 0.000 1.325 169 S CA -0.402 57.773 58.200 -0.042 0.000 1.002 169 S CB 0.513 63.695 63.200 -0.030 0.000 0.921 169 S HN 0.540 nan 8.310 nan 0.000 0.554 170 F N 1.100 120.959 119.950 -0.152 0.000 2.126 170 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 170 F C 2.488 178.173 175.800 -0.192 0.000 1.096 170 F CA 2.184 60.077 58.000 -0.179 0.000 1.255 170 F CB -0.409 38.484 39.000 -0.179 0.000 0.997 170 F HN 0.931 nan 8.300 nan 0.000 0.479 171 E N -0.640 119.513 120.200 -0.079 0.000 2.072 171 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 171 E C 2.158 178.600 176.600 -0.264 0.000 0.985 171 E CA 1.124 57.419 56.400 -0.173 0.000 0.801 171 E CB -0.090 29.599 29.700 -0.019 0.000 0.750 171 E HN 0.374 nan 8.360 nan 0.000 0.452 172 Q N -0.041 119.645 119.800 -0.189 0.000 2.119 172 Q HA -0.079 4.261 4.340 -0.000 0.000 0.201 172 Q C 2.063 177.907 176.000 -0.260 0.000 0.972 172 Q CA 1.345 57.040 55.803 -0.181 0.000 0.847 172 Q CB -0.304 28.366 28.738 -0.114 0.000 0.903 172 Q HN 0.377 nan 8.270 nan 0.000 0.433 173 A N 0.535 123.169 122.820 -0.310 0.000 1.873 173 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 173 A C 2.147 179.445 177.584 -0.478 0.000 1.186 173 A CA 1.803 53.634 52.037 -0.343 0.000 0.616 173 A CB -0.483 18.309 19.000 -0.345 0.000 0.823 173 A HN 0.340 nan 8.150 nan 0.000 0.442 174 M N -0.040 119.130 119.600 -0.717 0.000 2.080 174 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 174 M C 2.152 177.848 176.300 -1.006 0.000 1.068 174 M CA 2.043 56.771 55.300 -0.955 0.000 1.109 174 M CB -0.601 31.256 32.600 -1.238 0.000 1.342 174 M HN 0.534 nan 8.290 nan 0.000 0.405 175 Q N -1.184 118.165 119.800 -0.752 0.000 2.050 175 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 175 Q C 1.954 177.771 176.000 -0.305 0.000 0.980 175 Q CA 2.272 57.779 55.803 -0.493 0.000 0.840 175 Q CB -0.484 28.080 28.738 -0.290 0.000 0.898 175 Q HN 0.772 nan 8.270 nan 0.000 0.424 176 T N -1.845 112.552 114.554 -0.261 0.000 2.985 176 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 176 T C 1.673 176.282 174.700 -0.150 0.000 1.076 176 T CA 0.521 62.519 62.100 -0.171 0.000 1.135 176 T CB 0.055 68.840 68.868 -0.138 0.000 0.890 176 T HN 0.140 nan 8.240 nan 0.000 0.480 177 R N -0.139 120.243 120.500 -0.195 0.000 2.282 177 R HA 0.397 4.737 4.340 -0.000 0.000 0.195 177 R C 1.514 177.757 176.300 -0.096 0.000 0.909 177 R CA 0.197 56.216 56.100 -0.136 0.000 1.039 177 R CB 0.468 30.680 30.300 -0.148 0.000 1.015 177 R HN 0.291 nan 8.270 nan 0.000 0.513 178 V N -0.948 118.875 119.914 -0.151 0.000 3.134 178 V HA 0.034 4.154 4.120 -0.000 0.000 0.222 178 V C 1.350 177.516 176.094 0.120 0.000 1.247 178 V CA 0.462 62.756 62.300 -0.009 0.000 1.281 178 V CB -0.304 31.491 31.823 -0.048 0.000 1.169 178 V HN -0.029 nan 8.190 nan 0.000 0.512 179 F N 1.534 121.406 119.950 -0.130 0.000 2.102 179 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 179 F C 2.592 178.304 175.800 -0.148 0.000 1.105 179 F CA 1.418 59.308 58.000 -0.184 0.000 1.239 179 F CB -1.217 37.561 39.000 -0.369 0.000 0.991 179 F HN 0.206 nan 8.300 nan 0.000 0.474 180 Q N -0.248 119.574 119.800 0.035 0.000 2.046 180 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 180 Q C -0.309 175.691 176.000 -0.001 0.000 0.975 180 Q CA 1.591 57.380 55.803 -0.023 0.000 0.836 180 Q CB -1.475 27.225 28.738 -0.063 0.000 0.896 180 Q HN 0.269 nan 8.270 nan 0.000 0.428 181 P HA -0.149 nan 4.420 nan 0.000 0.218 181 P C 0.642 177.969 177.300 0.046 0.000 1.148 181 P CA 1.200 64.312 63.100 0.021 0.000 0.822 181 P CB 0.063 31.777 31.700 0.023 0.000 0.784 182 L N -1.516 119.760 121.223 0.088 0.000 2.592 182 L HA 0.152 4.492 4.340 -0.000 0.000 0.227 182 L C 0.386 177.305 176.870 0.081 0.000 1.127 182 L CA 0.091 55.000 54.840 0.115 0.000 0.884 182 L CB -0.650 41.546 42.059 0.229 0.000 1.065 182 L HN -0.055 nan 8.230 nan 0.000 0.457 183 K N 0.923 121.345 120.400 0.037 0.000 3.096 183 K HA -0.164 4.156 4.320 -0.000 0.000 0.266 183 K C -0.293 176.296 176.600 -0.019 0.000 1.043 183 K CA 0.374 56.660 56.287 -0.001 0.000 0.758 183 K CB -1.672 30.833 32.500 0.009 0.000 1.260 183 K HN 0.326 nan 8.250 nan 0.000 0.481 184 L N 1.384 122.581 121.223 -0.044 0.000 2.389 184 L HA 0.130 4.470 4.340 -0.000 0.000 0.265 184 L C 0.902 177.601 176.870 -0.286 0.000 1.167 184 L CA -0.478 54.283 54.840 -0.130 0.000 1.045 184 L CB 0.180 42.133 42.059 -0.177 0.000 1.351 184 L HN 0.151 nan 8.230 nan 0.000 0.419 185 N N 0.366 118.916 118.700 -0.251 0.000 2.461 185 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 185 N C 0.498 175.556 175.510 -0.753 0.000 1.134 185 N CA 0.597 53.383 53.050 -0.441 0.000 0.878 185 N CB 0.170 38.438 38.487 -0.365 0.000 0.972 185 N HN 0.473 nan 8.380 nan 0.000 0.456 186 H N -1.058 117.912 119.070 -0.168 0.000 2.790 186 H HA 0.275 4.831 4.556 -0.000 0.000 0.232 186 H C -0.459 174.759 175.328 -0.183 0.000 1.313 186 H CA -0.105 55.913 56.048 -0.050 0.000 1.011 186 H CB 0.306 30.067 29.762 -0.003 0.000 2.105 186 H HN -0.146 nan 8.280 nan 0.000 0.580 187 T N 0.846 115.075 114.554 -0.540 0.000 2.841 187 T HA 0.349 4.699 4.350 -0.000 0.000 0.285 187 T C -0.794 173.215 174.700 -1.152 0.000 0.991 187 T CA -0.457 61.152 62.100 -0.818 0.000 0.966 187 T CB 1.437 69.580 68.868 -1.209 0.000 0.962 187 T HN 0.229 nan 8.240 nan 0.000 0.438 188 W N 1.838 122.809 121.300 -0.550 0.000 3.127 188 W HA 0.556 5.216 4.660 0.000 0.000 0.330 188 W C 0.638 177.018 176.519 -0.231 0.000 1.187 188 W CA -0.812 56.347 57.345 -0.310 0.000 1.198 188 W CB 1.153 30.449 29.460 -0.273 0.000 1.408 188 W HN 0.500 nan 8.180 nan 0.000 0.529 189 I N 1.561 122.248 120.570 0.194 0.000 2.585 189 I HA -0.041 4.129 4.170 -0.000 0.000 0.254 189 I C 0.257 176.403 176.117 0.048 0.000 1.129 189 I CA 0.897 62.249 61.300 0.088 0.000 1.455 189 I CB 0.008 38.072 38.000 0.107 0.000 1.111 189 I HN 0.276 nan 8.210 nan 0.000 0.433 190 N N 1.115 119.885 118.700 0.117 0.000 2.483 190 N HA 0.238 4.978 4.740 -0.000 0.000 0.267 190 N C -0.879 174.547 175.510 -0.140 0.000 0.998 190 N CA -0.236 52.804 53.050 -0.016 0.000 0.918 190 N CB 2.665 41.149 38.487 -0.005 0.000 1.215 190 N HN -0.221 nan 8.380 nan 0.000 0.500 191 V N 4.769 124.502 119.914 -0.301 0.000 2.450 191 V HA 0.110 4.230 4.120 -0.000 0.000 0.281 191 V C -1.421 174.344 176.094 -0.549 0.000 1.019 191 V CA -0.775 61.203 62.300 -0.536 0.000 1.062 191 V CB 0.120 31.581 31.823 -0.602 0.000 0.979 191 V HN 0.508 nan 8.190 nan 0.000 0.477 192 P HA 0.271 nan 4.420 nan 0.000 0.276 192 P C -2.313 174.760 177.300 -0.377 0.000 1.252 192 P CA -1.838 60.891 63.100 -0.619 0.000 0.802 192 P CB 0.642 31.818 31.700 -0.874 0.000 1.035 193 P HA -0.198 nan 4.420 nan 0.000 0.216 193 P C 1.467 178.692 177.300 -0.126 0.000 1.154 193 P CA 2.231 65.246 63.100 -0.141 0.000 0.865 193 P CB -0.511 31.129 31.700 -0.100 0.000 0.789 194 A N -0.417 122.314 122.820 -0.147 0.000 2.125 194 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 194 A C 1.968 179.501 177.584 -0.085 0.000 1.156 194 A CA 1.438 53.419 52.037 -0.094 0.000 0.671 194 A CB -0.722 18.232 19.000 -0.076 0.000 0.794 194 A HN 0.118 nan 8.150 nan 0.000 0.459 195 E N -0.624 119.484 120.200 -0.155 0.000 2.481 195 E HA 0.012 4.362 4.350 -0.000 0.000 0.198 195 E C 1.287 177.846 176.600 -0.068 0.000 1.027 195 E CA 0.071 56.404 56.400 -0.111 0.000 0.900 195 E CB 0.016 29.595 29.700 -0.203 0.000 0.993 195 E HN 0.744 nan 8.360 nan 0.000 0.482 196 E N 1.362 121.526 120.200 -0.059 0.000 2.130 196 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 196 E C 1.949 178.574 176.600 0.041 0.000 0.998 196 E CA 1.414 57.823 56.400 0.016 0.000 0.806 196 E CB -0.104 29.604 29.700 0.012 0.000 0.738 196 E HN 0.240 nan 8.360 nan 0.000 0.459 197 K N 0.310 120.725 120.400 0.025 0.000 2.283 197 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 197 K C 1.014 177.640 176.600 0.042 0.000 1.048 197 K CA 1.589 57.899 56.287 0.039 0.000 0.948 197 K CB -0.100 32.417 32.500 0.028 0.000 0.742 197 K HN 0.068 nan 8.250 nan 0.000 0.458 198 N N -0.445 118.276 118.700 0.035 0.000 2.236 198 N HA -0.000 4.740 4.740 -0.000 0.000 0.196 198 N C -0.827 174.720 175.510 0.062 0.000 1.114 198 N CA -0.379 52.691 53.050 0.033 0.000 0.859 198 N CB 0.277 38.769 38.487 0.009 0.000 0.982 198 N HN 0.205 nan 8.380 nan 0.000 0.493 199 Y N 2.254 122.483 120.300 -0.119 0.000 2.504 199 Y HA 0.372 4.922 4.550 0.000 0.000 0.351 199 Y C 0.273 176.072 175.900 -0.168 0.000 0.988 199 Y CA -1.432 56.559 58.100 -0.181 0.000 1.239 199 Y CB 0.264 38.562 38.460 -0.271 0.000 1.128 199 Y HN -0.022 nan 8.280 nan 0.000 0.525 200 A N 6.105 128.975 122.820 0.083 0.000 2.507 200 A HA -0.021 4.299 4.320 -0.000 0.000 0.235 200 A C -1.028 176.531 177.584 -0.042 0.000 1.070 200 A CA -0.108 51.931 52.037 0.003 0.000 0.768 200 A CB 0.257 19.195 19.000 -0.103 0.000 1.011 200 A HN 0.936 nan 8.150 nan 0.000 0.502 201 W N 0.456 121.751 121.300 -0.009 0.000 2.313 201 W HA 0.493 5.153 4.660 0.000 0.000 0.328 201 W C 0.857 177.072 176.519 -0.508 0.000 1.197 201 W CA 0.507 57.649 57.345 -0.339 0.000 1.235 201 W CB 1.256 30.375 29.460 -0.568 0.000 1.158 201 W HN 0.931 nan 8.180 nan 0.000 0.578 202 G N 1.246 109.814 108.800 -0.387 0.000 2.451 202 G HA2 0.512 4.472 3.960 -0.000 0.000 0.303 202 G HA3 0.512 4.472 3.960 -0.000 0.000 0.303 202 G C -2.171 172.320 174.900 -0.682 0.000 1.166 202 G CA -0.486 44.106 45.100 -0.845 0.000 0.884 202 G HN 0.420 nan 8.290 nan 0.000 0.514 203 Y N -0.153 120.053 120.300 -0.158 0.000 2.326 203 Y HA 0.505 5.055 4.550 -0.000 0.000 0.329 203 Y C 0.449 176.339 175.900 -0.017 0.000 0.973 203 Y CA -0.774 57.295 58.100 -0.052 0.000 1.162 203 Y CB 2.207 40.644 38.460 -0.038 0.000 1.147 203 Y HN 0.475 nan 8.280 nan 0.000 0.456 204 R N 2.967 123.521 120.500 0.089 0.000 2.435 204 R HA 0.311 4.651 4.340 -0.000 0.000 0.308 204 R C -0.705 175.639 176.300 0.073 0.000 0.975 204 R CA -0.359 55.788 56.100 0.078 0.000 0.867 204 R CB 0.514 30.846 30.300 0.054 0.000 1.171 204 R HN 0.886 nan 8.270 nan 0.000 0.470 205 E N 2.824 123.070 120.200 0.076 0.000 2.252 205 E HA -0.257 4.092 4.350 -0.000 0.000 0.218 205 E C 0.577 177.212 176.600 0.059 0.000 1.253 205 E CA 0.741 57.174 56.400 0.056 0.000 0.705 205 E CB -1.078 28.645 29.700 0.038 0.000 1.172 205 E HN 1.190 nan 8.360 nan 0.000 0.369 206 G N -0.065 108.791 108.800 0.093 0.000 2.212 206 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.266 206 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.266 206 G C 0.212 175.204 174.900 0.154 0.000 0.978 206 G CA 0.997 46.158 45.100 0.101 0.000 0.632 206 G HN 0.319 nan 8.290 nan 0.000 0.537 207 K N 0.806 121.269 120.400 0.105 0.000 2.156 207 K HA 0.691 5.011 4.320 -0.000 0.000 0.271 207 K C 0.432 176.974 176.600 -0.095 0.000 0.995 207 K CA -0.022 56.273 56.287 0.014 0.000 0.890 207 K CB 1.778 34.259 32.500 -0.032 0.000 1.073 207 K HN 0.466 nan 8.250 nan 0.000 0.454 208 A N 2.532 125.178 122.820 -0.290 0.000 2.451 208 A HA 0.391 4.711 4.320 -0.000 0.000 0.266 208 A C -0.013 177.355 177.584 -0.360 0.000 1.119 208 A CA -0.401 51.242 52.037 -0.657 0.000 0.786 208 A CB -0.250 18.159 19.000 -0.985 0.000 1.061 208 A HN 0.560 nan 8.150 nan 0.000 0.503 209 V N 0.952 120.794 119.914 -0.121 0.000 3.049 209 V HA 0.693 4.812 4.120 -0.000 0.000 0.309 209 V C -0.756 175.459 176.094 0.201 0.000 1.148 209 V CA -0.848 61.505 62.300 0.088 0.000 0.990 209 V CB 1.332 33.185 31.823 0.049 0.000 1.039 209 V HN 0.948 nan 8.190 nan 0.000 0.430 210 H N 0.456 119.659 119.070 0.222 0.000 2.690 210 H HA 0.662 5.218 4.556 -0.000 0.000 0.368 210 H C -0.473 174.945 175.328 0.151 0.000 1.150 210 H CA -0.987 55.129 56.048 0.113 0.000 1.174 210 H CB 2.289 31.988 29.762 -0.106 0.000 1.684 210 H HN 0.826 nan 8.280 nan 0.000 0.538 211 V N 2.716 122.811 119.914 0.302 0.000 2.720 211 V HA -0.067 4.053 4.120 -0.000 0.000 0.307 211 V C -0.115 176.087 176.094 0.180 0.000 1.071 211 V CA 0.517 62.946 62.300 0.214 0.000 1.199 211 V CB 0.522 32.466 31.823 0.203 0.000 0.900 211 V HN 0.756 nan 8.190 nan 0.000 0.494 212 S N 7.535 123.324 115.700 0.149 0.000 2.601 212 S HA 0.439 4.909 4.470 -0.000 0.000 0.271 212 S C -2.220 172.457 174.600 0.127 0.000 1.305 212 S CA -0.625 57.648 58.200 0.121 0.000 1.022 212 S CB 1.038 64.293 63.200 0.091 0.000 0.940 212 S HN 0.842 nan 8.310 nan 0.000 0.525 213 P HA 0.457 nan 4.420 nan 0.000 0.269 213 P C -0.211 177.134 177.300 0.074 0.000 1.209 213 P CA -0.101 63.039 63.100 0.067 0.000 0.776 213 P CB 0.488 32.212 31.700 0.042 0.000 0.876 214 G N 0.081 108.914 108.800 0.055 0.000 2.673 214 G HA2 0.553 4.513 3.960 -0.000 0.000 0.292 214 G HA3 0.553 4.513 3.960 -0.000 0.000 0.292 214 G C -1.428 173.464 174.900 -0.014 0.000 1.450 214 G CA -0.530 44.606 45.100 0.059 0.000 0.837 214 G HN 0.534 nan 8.290 nan 0.000 0.505 215 A N 0.476 123.284 122.820 -0.021 0.000 2.511 215 A HA 0.557 4.877 4.320 -0.000 0.000 0.242 215 A C 1.385 178.914 177.584 -0.093 0.000 1.069 215 A CA 0.439 52.445 52.037 -0.051 0.000 0.763 215 A CB -0.345 18.630 19.000 -0.042 0.000 1.001 215 A HN 1.761 nan 8.150 nan 0.000 0.498 216 L N 0.441 121.575 121.223 -0.148 0.000 4.001 216 L HA -0.313 4.027 4.340 -0.000 0.000 0.413 216 L C 1.115 177.740 176.870 -0.409 0.000 1.185 216 L CA 0.656 55.354 54.840 -0.236 0.000 0.963 216 L CB -1.752 40.238 42.059 -0.115 0.000 1.976 216 L HN 1.008 nan 8.230 nan 0.000 0.939 217 D N 0.087 120.207 120.400 -0.468 0.000 2.117 217 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 217 D C 1.967 177.822 176.300 -0.741 0.000 0.982 217 D CA 1.353 54.799 54.000 -0.922 0.000 0.828 217 D CB -0.100 40.377 40.800 -0.539 0.000 0.967 217 D HN 0.430 nan 8.370 nan 0.000 0.464 218 A N 0.854 123.423 122.820 -0.419 0.000 1.908 218 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 218 A C 2.115 179.508 177.584 -0.319 0.000 1.181 218 A CA 1.963 53.846 52.037 -0.257 0.000 0.627 218 A CB -0.710 18.226 19.000 -0.106 0.000 0.818 218 A HN 0.220 nan 8.150 nan 0.000 0.445 219 E N -0.439 119.377 120.200 -0.640 0.000 2.152 219 E HA 0.120 4.470 4.350 -0.000 0.000 0.192 219 E C 1.937 178.384 176.600 -0.255 0.000 0.983 219 E CA 1.199 57.169 56.400 -0.717 0.000 0.818 219 E CB -0.207 28.974 29.700 -0.865 0.000 0.758 219 E HN 0.604 nan 8.360 nan 0.000 0.467 220 A N -0.377 122.281 122.820 -0.271 0.000 2.035 220 A HA 0.104 4.424 4.320 -0.000 0.000 0.208 220 A C 0.702 178.325 177.584 0.065 0.000 1.206 220 A CA 0.506 52.515 52.037 -0.046 0.000 0.773 220 A CB 0.051 19.082 19.000 0.051 0.000 0.878 220 A HN 0.399 nan 8.150 nan 0.000 0.469 221 Y N -4.189 116.087 120.300 -0.040 0.000 3.070 221 Y HA 0.471 5.021 4.550 -0.000 0.000 0.254 221 Y C 0.710 176.594 175.900 -0.027 0.000 1.070 221 Y CA -0.573 57.511 58.100 -0.026 0.000 1.229 221 Y CB -0.430 37.958 38.460 -0.120 0.000 1.264 221 Y HN -0.010 nan 8.280 nan 0.000 0.639 222 G N 0.753 109.490 108.800 -0.104 0.000 3.337 222 G HA2 0.407 4.367 3.960 -0.000 0.000 0.246 222 G HA3 0.407 4.367 3.960 -0.000 0.000 0.246 222 G C -0.368 174.502 174.900 -0.050 0.000 1.131 222 G CA -0.004 45.052 45.100 -0.072 0.000 0.773 222 G HN 0.119 nan 8.290 nan 0.000 0.544 223 V N 0.489 120.371 119.914 -0.054 0.000 2.567 223 V HA 0.441 4.561 4.120 -0.000 0.000 0.289 223 V C -0.304 175.676 176.094 -0.189 0.000 1.049 223 V CA -0.510 61.697 62.300 -0.154 0.000 0.969 223 V CB 1.535 33.175 31.823 -0.306 0.000 0.995 223 V HN 0.142 nan 8.190 nan 0.000 0.471 224 K N 2.339 122.584 120.400 -0.258 0.000 2.270 224 K HA 0.789 5.109 4.320 -0.000 0.000 0.255 224 K C -0.558 175.887 176.600 -0.259 0.000 0.936 224 K CA -0.173 55.950 56.287 -0.275 0.000 0.809 224 K CB 2.007 34.233 32.500 -0.457 0.000 1.131 224 K HN 0.698 nan 8.250 nan 0.000 0.427 225 S N 0.181 115.802 115.700 -0.132 0.000 2.625 225 S HA 0.615 5.085 4.470 -0.000 0.000 0.271 225 S C -1.148 173.512 174.600 0.099 0.000 1.161 225 S CA -0.719 57.425 58.200 -0.094 0.000 0.820 225 S CB 1.010 64.118 63.200 -0.153 0.000 1.137 225 S HN 0.683 nan 8.310 nan 0.000 0.470 226 T N 0.129 114.745 114.554 0.104 0.000 2.912 226 T HA 0.519 4.869 4.350 -0.000 0.000 0.280 226 T C 1.230 176.043 174.700 0.188 0.000 0.989 226 T CA -0.529 61.682 62.100 0.186 0.000 0.995 226 T CB 0.786 69.715 68.868 0.103 0.000 1.077 226 T HN 0.435 nan 8.240 nan 0.000 0.531 227 I N 0.636 121.331 120.570 0.208 0.000 2.493 227 I HA -0.026 4.144 4.170 -0.000 0.000 0.254 227 I C 2.333 178.592 176.117 0.236 0.000 1.160 227 I CA 1.413 62.846 61.300 0.221 0.000 1.445 227 I CB -0.536 37.619 38.000 0.258 0.000 1.086 227 I HN 0.810 nan 8.210 nan 0.000 0.433 228 E N -0.001 120.233 120.200 0.058 0.000 2.047 228 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 228 E C 1.657 178.355 176.600 0.164 0.000 0.987 228 E CA 1.398 57.822 56.400 0.040 0.000 0.799 228 E CB -0.153 29.463 29.700 -0.141 0.000 0.752 228 E HN 0.479 nan 8.360 nan 0.000 0.449 229 D N 0.231 120.707 120.400 0.127 0.000 2.144 229 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 229 D C 1.840 178.268 176.300 0.212 0.000 0.978 229 D CA 0.920 54.995 54.000 0.125 0.000 0.833 229 D CB -0.020 40.794 40.800 0.023 0.000 0.961 229 D HN 0.068 nan 8.370 nan 0.000 0.470 230 M N 0.311 120.051 119.600 0.234 0.000 2.229 230 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 230 M C 2.194 178.684 176.300 0.316 0.000 1.063 230 M CA 0.631 56.125 55.300 0.323 0.000 1.114 230 M CB -1.020 31.751 32.600 0.285 0.000 1.387 230 M HN -0.023 nan 8.290 nan 0.000 0.420 231 A N -0.171 122.818 122.820 0.280 0.000 1.933 231 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 231 A C 2.386 180.056 177.584 0.143 0.000 1.175 231 A CA 1.715 53.874 52.037 0.203 0.000 0.628 231 A CB -0.672 18.478 19.000 0.250 0.000 0.814 231 A HN 0.457 nan 8.150 nan 0.000 0.444 232 R N -1.398 119.212 120.500 0.183 0.000 2.115 232 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 232 R C 2.111 178.521 176.300 0.182 0.000 1.111 232 R CA 1.322 57.507 56.100 0.141 0.000 0.976 232 R CB -0.332 30.058 30.300 0.149 0.000 0.870 232 R HN 0.845 nan 8.270 nan 0.000 0.445 233 W N 0.375 121.700 121.300 0.042 0.000 2.358 233 W HA -0.187 4.473 4.660 0.000 0.000 0.303 233 W C 1.367 177.829 176.519 -0.094 0.000 1.208 233 W CA 1.085 58.441 57.345 0.018 0.000 1.274 233 W CB -0.028 29.486 29.460 0.091 0.000 1.138 233 W HN -0.058 nan 8.180 nan 0.000 0.515 234 V N 1.394 121.260 119.914 -0.081 0.000 2.407 234 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 234 V C 2.361 178.136 176.094 -0.532 0.000 1.055 234 V CA 2.206 64.246 62.300 -0.433 0.000 1.049 234 V CB -0.914 30.783 31.823 -0.210 0.000 0.662 234 V HN 0.258 nan 8.190 nan 0.000 0.455 235 Q N -0.338 119.296 119.800 -0.278 0.000 2.124 235 Q HA -0.161 4.178 4.340 -0.000 0.000 0.202 235 Q C 2.473 178.292 176.000 -0.301 0.000 0.977 235 Q CA 1.874 57.523 55.803 -0.257 0.000 0.850 235 Q CB -0.254 28.406 28.738 -0.131 0.000 0.901 235 Q HN 0.593 nan 8.270 nan 0.000 0.429 236 S N 0.918 116.452 115.700 -0.277 0.000 2.383 236 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 236 S C 1.529 175.873 174.600 -0.428 0.000 1.026 236 S CA 0.883 58.924 58.200 -0.265 0.000 0.981 236 S CB -0.145 62.967 63.200 -0.146 0.000 0.818 236 S HN 0.375 nan 8.310 nan 0.000 0.472 237 N N 1.070 119.344 118.700 -0.710 0.000 2.354 237 N HA 0.138 4.878 4.740 -0.000 0.000 0.179 237 N C 1.559 176.590 175.510 -0.799 0.000 1.021 237 N CA 0.506 53.054 53.050 -0.836 0.000 0.887 237 N CB -0.111 37.650 38.487 -1.210 0.000 0.974 237 N HN 0.332 nan 8.380 nan 0.000 0.437 238 L N 0.271 120.991 121.223 -0.838 0.000 2.156 238 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 238 L C 1.062 177.758 176.870 -0.291 0.000 1.095 238 L CA 1.002 55.525 54.840 -0.529 0.000 0.770 238 L CB 0.114 41.906 42.059 -0.446 0.000 0.914 238 L HN -0.059 nan 8.230 nan 0.000 0.439 239 K N -0.435 119.800 120.400 -0.275 0.000 2.920 239 K HA 0.193 4.513 4.320 -0.000 0.000 0.175 239 K C -1.935 174.571 176.600 -0.157 0.000 1.099 239 K CA -1.158 55.021 56.287 -0.181 0.000 0.939 239 K CB 1.099 33.506 32.500 -0.155 0.000 1.148 239 K HN -0.190 nan 8.250 nan 0.000 0.613 240 P HA -0.151 nan 4.420 nan 0.000 0.222 240 P C 0.923 178.178 177.300 -0.075 0.000 1.147 240 P CA 0.812 63.844 63.100 -0.113 0.000 0.790 240 P CB 0.280 31.918 31.700 -0.103 0.000 0.780 241 L N -0.349 120.830 121.223 -0.073 0.000 2.376 241 L HA -0.066 4.274 4.340 -0.000 0.000 0.219 241 L C 1.662 178.503 176.870 -0.049 0.000 1.133 241 L CA 1.066 55.873 54.840 -0.054 0.000 0.816 241 L CB -0.760 41.267 42.059 -0.053 0.000 0.933 241 L HN -0.096 nan 8.230 nan 0.000 0.449 242 D N 0.085 120.451 120.400 -0.058 0.000 2.355 242 D HA 0.136 4.776 4.640 -0.000 0.000 0.218 242 D C 0.769 177.047 176.300 -0.038 0.000 1.004 242 D CA 0.470 54.441 54.000 -0.049 0.000 0.880 242 D CB 0.223 40.988 40.800 -0.058 0.000 0.911 242 D HN 0.233 nan 8.370 nan 0.000 0.528 243 I N 1.187 121.735 120.570 -0.036 0.000 2.396 243 I HA 0.047 4.217 4.170 -0.000 0.000 0.289 243 I C 1.235 177.344 176.117 -0.015 0.000 1.056 243 I CA -0.130 61.158 61.300 -0.021 0.000 1.365 243 I CB 0.891 38.881 38.000 -0.017 0.000 1.407 243 I HN -0.206 nan 8.210 nan 0.000 0.509 244 N N 3.454 122.148 118.700 -0.010 0.000 2.270 244 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 244 N C -0.173 175.333 175.510 -0.007 0.000 1.016 244 N CA 0.628 53.673 53.050 -0.009 0.000 0.870 244 N CB 0.117 38.598 38.487 -0.009 0.000 0.979 244 N HN 0.540 nan 8.380 nan 0.000 0.431 245 E N 1.119 121.317 120.200 -0.002 0.000 2.265 245 E HA 0.034 4.384 4.350 -0.000 0.000 0.272 245 E C 0.431 177.031 176.600 -0.001 0.000 1.067 245 E CA 0.171 56.570 56.400 -0.002 0.000 0.900 245 E CB 0.769 30.471 29.700 0.002 0.000 1.017 245 E HN 0.179 nan 8.360 nan 0.000 0.431 246 K N 1.238 121.636 120.400 -0.003 0.000 2.032 246 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 246 K C 1.910 178.512 176.600 0.003 0.000 1.048 246 K CA 1.894 58.179 56.287 -0.002 0.000 0.927 246 K CB -0.196 32.302 32.500 -0.003 0.000 0.712 246 K HN 0.602 nan 8.250 nan 0.000 0.441 247 T N -0.119 114.437 114.554 0.004 0.000 2.951 247 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 247 T C 1.815 176.526 174.700 0.019 0.000 1.073 247 T CA 0.616 62.722 62.100 0.009 0.000 1.134 247 T CB -0.099 68.771 68.868 0.004 0.000 0.884 247 T HN 0.038 nan 8.240 nan 0.000 0.479 248 L N 1.056 122.291 121.223 0.019 0.000 2.095 248 L HA 0.166 4.506 4.340 -0.000 0.000 0.204 248 L C 2.777 179.666 176.870 0.033 0.000 1.080 248 L CA 1.708 56.570 54.840 0.037 0.000 0.759 248 L CB -1.011 41.074 42.059 0.043 0.000 0.914 248 L HN 0.362 nan 8.230 nan 0.000 0.439 249 Q N -0.722 119.087 119.800 0.014 0.000 2.077 249 Q HA -0.324 4.016 4.340 -0.000 0.000 0.206 249 Q C 2.318 178.320 176.000 0.004 0.000 0.989 249 Q CA 2.436 58.238 55.803 -0.003 0.000 0.853 249 Q CB -0.282 28.450 28.738 -0.010 0.000 0.907 249 Q HN 0.712 nan 8.270 nan 0.000 0.418 250 Q N -0.867 118.941 119.800 0.013 0.000 2.084 250 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 250 Q C 1.955 177.982 176.000 0.044 0.000 0.978 250 Q CA 1.476 57.291 55.803 0.021 0.000 0.844 250 Q CB -0.351 28.400 28.738 0.021 0.000 0.898 250 Q HN 0.554 nan 8.270 nan 0.000 0.426 251 G N 1.014 109.847 108.800 0.055 0.000 2.418 251 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 251 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 251 G C 1.388 176.353 174.900 0.109 0.000 1.158 251 G CA 0.876 46.029 45.100 0.088 0.000 0.771 251 G HN 0.367 nan 8.290 nan 0.000 0.545 252 I N 0.246 120.861 120.570 0.075 0.000 2.226 252 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 252 I C 3.024 179.173 176.117 0.054 0.000 1.100 252 I CA 1.178 62.511 61.300 0.056 0.000 1.374 252 I CB -0.313 37.662 38.000 -0.041 0.000 1.057 252 I HN 0.257 nan 8.210 nan 0.000 0.413 253 Q N 0.556 120.373 119.800 0.028 0.000 2.084 253 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 253 Q C 2.379 178.414 176.000 0.058 0.000 0.978 253 Q CA 1.362 57.176 55.803 0.018 0.000 0.844 253 Q CB -0.154 28.584 28.738 -0.000 0.000 0.898 253 Q HN 0.529 nan 8.270 nan 0.000 0.426 254 L N 0.036 121.317 121.223 0.096 0.000 2.201 254 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 254 L C 2.360 179.383 176.870 0.255 0.000 1.105 254 L CA 0.722 55.656 54.840 0.157 0.000 0.775 254 L CB -0.451 41.707 42.059 0.166 0.000 0.913 254 L HN 0.198 nan 8.230 nan 0.000 0.440 255 A N -0.848 122.119 122.820 0.245 0.000 2.066 255 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 255 A C 2.054 179.861 177.584 0.372 0.000 1.157 255 A CA 1.023 53.261 52.037 0.336 0.000 0.670 255 A CB -0.195 19.038 19.000 0.388 0.000 0.804 255 A HN 0.474 nan 8.150 nan 0.000 0.453 256 Q N -0.075 119.858 119.800 0.222 0.000 2.282 256 Q HA 0.193 4.533 4.340 -0.000 0.000 0.206 256 Q C -0.103 175.922 176.000 0.042 0.000 0.878 256 Q CA -0.319 55.557 55.803 0.122 0.000 0.944 256 Q CB 0.433 29.168 28.738 -0.005 0.000 1.100 256 Q HN 0.493 nan 8.270 nan 0.000 0.509 257 S N 0.944 116.653 115.700 0.015 0.000 2.579 257 S HA 0.205 4.675 4.470 -0.000 0.000 0.275 257 S C 0.057 174.470 174.600 -0.311 0.000 1.345 257 S CA -0.096 57.959 58.200 -0.241 0.000 1.031 257 S CB 0.551 63.469 63.200 -0.470 0.000 0.892 257 S HN 0.230 nan 8.310 nan 0.000 0.529 258 R N 1.479 121.768 120.500 -0.351 0.000 2.215 258 R HA 0.251 4.591 4.340 -0.000 0.000 0.336 258 R C -0.391 175.732 176.300 -0.295 0.000 0.996 258 R CA -0.172 55.835 56.100 -0.155 0.000 0.847 258 R CB 0.460 30.674 30.300 -0.144 0.000 1.127 258 R HN 0.687 nan 8.270 nan 0.000 0.465 259 Y N 0.685 120.995 120.300 0.018 0.000 2.479 259 Y HA 0.140 4.690 4.550 0.000 0.000 0.283 259 Y C 0.113 175.724 175.900 -0.481 0.000 1.109 259 Y CA 0.324 58.278 58.100 -0.244 0.000 1.239 259 Y CB 0.560 38.878 38.460 -0.237 0.000 1.108 259 Y HN 0.468 nan 8.280 nan 0.000 0.548 260 W N -0.232 121.230 121.300 0.271 0.000 3.217 260 W HA 0.538 5.199 4.660 0.000 0.000 0.323 260 W C -0.919 175.697 176.519 0.162 0.000 1.216 260 W CA -0.997 56.463 57.345 0.191 0.000 1.194 260 W CB 1.118 30.677 29.460 0.166 0.000 1.397 260 W HN -0.452 nan 8.180 nan 0.000 0.537 261 Q N 1.405 121.395 119.800 0.317 0.000 2.353 261 Q HA 0.660 5.000 4.340 -0.000 0.000 0.268 261 Q C -1.161 174.848 176.000 0.015 0.000 1.045 261 Q CA -0.465 55.349 55.803 0.019 0.000 0.811 261 Q CB 2.367 31.039 28.738 -0.110 0.000 1.305 261 Q HN 0.436 nan 8.270 nan 0.000 0.447 262 T N 2.655 117.167 114.554 -0.070 0.000 2.949 262 T HA 0.613 4.963 4.350 -0.000 0.000 0.300 262 T C 0.330 174.971 174.700 -0.098 0.000 0.988 262 T CA 0.710 62.780 62.100 -0.051 0.000 0.993 262 T CB 0.615 69.472 68.868 -0.019 0.000 0.984 262 T HN 1.046 nan 8.240 nan 0.000 0.442 263 G N 5.473 114.217 108.800 -0.093 0.000 2.583 263 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.292 263 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.292 263 G C 0.330 175.142 174.900 -0.145 0.000 1.203 263 G CA 0.734 45.777 45.100 -0.094 0.000 0.987 263 G HN 0.991 nan 8.290 nan 0.000 0.554 264 D N 0.245 120.572 120.400 -0.123 0.000 2.342 264 D HA 0.285 4.925 4.640 -0.000 0.000 0.221 264 D C 1.117 177.327 176.300 -0.151 0.000 1.101 264 D CA 0.439 54.363 54.000 -0.127 0.000 0.837 264 D CB 0.055 40.819 40.800 -0.061 0.000 0.938 264 D HN 0.611 nan 8.370 nan 0.000 0.508 265 M N 0.558 120.048 119.600 -0.182 0.000 2.537 265 M HA 0.445 4.925 4.480 -0.000 0.000 0.324 265 M C -1.667 174.489 176.300 -0.239 0.000 1.187 265 M CA -0.706 54.554 55.300 -0.066 0.000 0.993 265 M CB 1.743 34.391 32.600 0.080 0.000 1.666 265 M HN -0.197 nan 8.290 nan 0.000 0.461 266 Y N 1.528 121.938 120.300 0.184 0.000 2.409 266 Y HA 0.397 4.947 4.550 -0.000 0.000 0.343 266 Y C -0.471 175.589 175.900 0.267 0.000 0.973 266 Y CA -0.728 57.492 58.100 0.200 0.000 1.064 266 Y CB 1.672 40.216 38.460 0.140 0.000 1.207 266 Y HN 0.557 nan 8.280 nan 0.000 0.452 267 Q N 1.865 121.940 119.800 0.459 0.000 2.278 267 Q HA 0.607 4.947 4.340 -0.000 0.000 0.257 267 Q C -0.075 176.222 176.000 0.495 0.000 0.928 267 Q CA -0.227 55.852 55.803 0.460 0.000 0.932 267 Q CB 1.279 30.302 28.738 0.475 0.000 1.221 267 Q HN 0.900 nan 8.270 nan 0.000 0.434 268 G N 2.732 111.799 108.800 0.445 0.000 2.857 268 G HA2 0.510 4.470 3.960 -0.000 0.000 0.217 268 G HA3 0.510 4.470 3.960 -0.000 0.000 0.217 268 G C -0.988 174.101 174.900 0.315 0.000 1.357 268 G CA -0.842 44.547 45.100 0.481 0.000 1.033 268 G HN 0.586 nan 8.290 nan 0.000 0.571 269 L N 1.146 122.525 121.223 0.261 0.000 2.270 269 L HA 0.464 4.804 4.340 -0.000 0.000 0.286 269 L C 1.339 178.271 176.870 0.103 0.000 1.059 269 L CA 0.462 55.323 54.840 0.034 0.000 0.839 269 L CB 0.558 42.619 42.059 0.004 0.000 1.221 269 L HN 1.050 nan 8.230 nan 0.000 0.431 270 G N 2.150 110.984 108.800 0.055 0.000 3.909 270 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 270 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 270 G C 0.014 174.984 174.900 0.117 0.000 1.404 270 G CA -0.219 44.912 45.100 0.052 0.000 0.905 270 G HN 0.510 nan 8.290 nan 0.000 0.589 271 W N 2.382 123.821 121.300 0.232 0.000 2.137 271 W HA 0.562 5.222 4.660 -0.000 0.000 0.344 271 W C 0.825 177.495 176.519 0.251 0.000 1.286 271 W CA -0.162 57.313 57.345 0.217 0.000 1.240 271 W CB 0.397 29.955 29.460 0.162 0.000 1.141 271 W HN 0.319 nan 8.180 nan 0.000 0.579 272 E N 1.650 122.200 120.200 0.583 0.000 2.238 272 E HA 0.540 4.890 4.350 -0.000 0.000 0.267 272 E C -0.854 176.045 176.600 0.500 0.000 0.887 272 E CA -1.122 55.583 56.400 0.509 0.000 0.769 272 E CB 1.791 31.778 29.700 0.478 0.000 1.187 272 E HN 0.171 nan 8.360 nan 0.000 0.416 273 M N 2.006 121.852 119.600 0.411 0.000 2.550 273 M HA 0.490 4.970 4.480 -0.000 0.000 0.292 273 M C -1.490 175.037 176.300 0.379 0.000 1.221 273 M CA -0.393 55.091 55.300 0.307 0.000 0.873 273 M CB 1.750 34.459 32.600 0.182 0.000 1.727 273 M HN 0.309 nan 8.290 nan 0.000 0.459 274 L N 0.294 121.707 121.223 0.317 0.000 2.393 274 L HA 0.565 4.905 4.340 -0.000 0.000 0.260 274 L C -0.756 176.280 176.870 0.277 0.000 1.002 274 L CA -0.702 54.331 54.840 0.322 0.000 0.818 274 L CB 1.889 44.059 42.059 0.184 0.000 1.369 274 L HN 0.545 nan 8.230 nan 0.000 0.412 275 D N 0.706 121.255 120.400 0.248 0.000 2.414 275 D HA 0.001 4.641 4.640 -0.000 0.000 0.242 275 D C -0.973 175.456 176.300 0.216 0.000 1.129 275 D CA 0.147 54.255 54.000 0.181 0.000 0.885 275 D CB 1.191 42.065 40.800 0.124 0.000 1.198 275 D HN 0.355 nan 8.370 nan 0.000 0.437 276 W N 4.454 125.808 121.300 0.090 0.000 2.469 276 W HA 0.289 4.949 4.660 -0.000 0.000 0.320 276 W C -2.307 174.262 176.519 0.083 0.000 1.086 276 W CA -1.833 55.585 57.345 0.122 0.000 1.211 276 W CB 1.201 30.747 29.460 0.143 0.000 1.298 276 W HN 0.229 nan 8.180 nan 0.000 0.525 277 P HA 0.127 nan 4.420 nan 0.000 0.275 277 P C -0.418 176.521 177.300 -0.602 0.000 1.227 277 P CA 0.057 62.355 63.100 -1.337 0.000 0.781 277 P CB 1.675 32.805 31.700 -0.951 0.000 0.906 278 V N -0.320 119.262 119.914 -0.553 0.000 2.966 278 V HA 0.526 4.646 4.120 -0.000 0.000 0.317 278 V C 0.116 175.924 176.094 -0.476 0.000 1.070 278 V CA -1.094 60.991 62.300 -0.358 0.000 1.008 278 V CB 1.468 33.085 31.823 -0.344 0.000 1.070 278 V HN 0.567 nan 8.190 nan 0.000 0.457 279 N N 3.566 122.013 118.700 -0.421 0.000 2.408 279 N HA 0.378 5.118 4.740 -0.000 0.000 0.257 279 N C -1.269 173.850 175.510 -0.652 0.000 1.064 279 N CA -2.262 50.517 53.050 -0.451 0.000 0.952 279 N CB 1.385 39.693 38.487 -0.298 0.000 1.093 279 N HN 0.553 nan 8.380 nan 0.000 0.490 280 P HA -0.147 nan 4.420 nan 0.000 0.216 280 P C 0.291 177.199 177.300 -0.654 0.000 1.150 280 P CA 1.210 63.568 63.100 -1.236 0.000 0.843 280 P CB 0.482 31.061 31.700 -1.868 0.000 0.787 281 D N -0.468 119.658 120.400 -0.458 0.000 2.178 281 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 281 D C 2.194 178.350 176.300 -0.241 0.000 0.980 281 D CA 1.034 54.862 54.000 -0.287 0.000 0.842 281 D CB -0.550 40.125 40.800 -0.208 0.000 0.948 281 D HN 0.176 nan 8.370 nan 0.000 0.472 282 S N 0.501 116.043 115.700 -0.263 0.000 2.368 282 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 282 S C 2.167 176.665 174.600 -0.170 0.000 1.029 282 S CA 0.895 58.978 58.200 -0.194 0.000 0.988 282 S CB -0.174 62.913 63.200 -0.188 0.000 0.838 282 S HN 0.397 nan 8.310 nan 0.000 0.462 283 I N -1.166 119.258 120.570 -0.243 0.000 2.500 283 I HA 0.048 4.218 4.170 -0.000 0.000 0.252 283 I C 2.073 178.139 176.117 -0.085 0.000 1.142 283 I CA 0.981 62.194 61.300 -0.145 0.000 1.451 283 I CB -0.501 37.319 38.000 -0.299 0.000 1.093 283 I HN 0.218 nan 8.210 nan 0.000 0.430 284 I N 2.099 122.569 120.570 -0.167 0.000 2.133 284 I HA -0.221 3.949 4.170 -0.000 0.000 0.238 284 I C 2.297 178.360 176.117 -0.091 0.000 1.074 284 I CA 1.460 62.689 61.300 -0.118 0.000 1.342 284 I CB -0.646 37.268 38.000 -0.143 0.000 1.053 284 I HN 0.284 nan 8.210 nan 0.000 0.404 285 N N 1.148 119.787 118.700 -0.101 0.000 2.244 285 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 285 N C 1.860 177.332 175.510 -0.063 0.000 1.016 285 N CA 1.496 54.499 53.050 -0.078 0.000 0.866 285 N CB -0.661 37.777 38.487 -0.081 0.000 0.980 285 N HN 0.418 nan 8.380 nan 0.000 0.430 286 G N 0.351 109.116 108.800 -0.057 0.000 2.509 286 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 286 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 286 G C 1.560 176.445 174.900 -0.026 0.000 1.124 286 G CA 1.105 46.185 45.100 -0.033 0.000 0.776 286 G HN 0.498 nan 8.290 nan 0.000 0.547 287 S N -0.511 115.171 115.700 -0.031 0.000 2.528 287 S HA 0.041 4.511 4.470 -0.000 0.000 0.219 287 S C 0.740 175.291 174.600 -0.082 0.000 0.985 287 S CA -0.101 58.067 58.200 -0.053 0.000 0.914 287 S CB 0.049 63.214 63.200 -0.059 0.000 0.776 287 S HN 0.269 nan 8.310 nan 0.000 0.526 288 D N 2.212 122.570 120.400 -0.070 0.000 2.458 288 D HA 0.052 4.691 4.640 -0.000 0.000 0.243 288 D C 0.390 176.647 176.300 -0.071 0.000 1.146 288 D CA 0.063 54.024 54.000 -0.065 0.000 0.877 288 D CB 0.513 41.282 40.800 -0.052 0.000 1.176 288 D HN 0.106 nan 8.370 nan 0.000 0.461 289 N N 3.206 121.864 118.700 -0.070 0.000 2.348 289 N HA -0.202 4.538 4.740 -0.000 0.000 0.185 289 N C 1.587 177.065 175.510 -0.053 0.000 1.019 289 N CA 0.725 53.731 53.050 -0.073 0.000 0.880 289 N CB -0.110 38.343 38.487 -0.056 0.000 0.965 289 N HN 0.652 nan 8.380 nan 0.000 0.437 290 K N 0.324 120.700 120.400 -0.040 0.000 2.283 290 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 290 K C 1.623 178.203 176.600 -0.033 0.000 1.048 290 K CA 0.949 57.219 56.287 -0.028 0.000 0.948 290 K CB 0.053 32.540 32.500 -0.023 0.000 0.742 290 K HN 0.176 nan 8.250 nan 0.000 0.458 291 I N 0.679 121.221 120.570 -0.046 0.000 3.194 291 I HA 0.037 4.207 4.170 -0.000 0.000 0.271 291 I C 2.434 178.513 176.117 -0.063 0.000 1.150 291 I CA 0.459 61.730 61.300 -0.048 0.000 1.440 291 I CB 0.001 37.973 38.000 -0.048 0.000 1.276 291 I HN 0.175 nan 8.210 nan 0.000 0.457 292 A N 0.950 123.716 122.820 -0.089 0.000 2.019 292 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 292 A C 2.057 179.540 177.584 -0.170 0.000 1.164 292 A CA 1.368 53.318 52.037 -0.146 0.000 0.644 292 A CB -0.592 18.286 19.000 -0.204 0.000 0.805 292 A HN 0.427 nan 8.150 nan 0.000 0.449 293 L N -1.037 120.121 121.223 -0.109 0.000 2.640 293 L HA 0.275 4.615 4.340 -0.000 0.000 0.230 293 L C 1.067 177.935 176.870 -0.003 0.000 1.123 293 L CA -0.131 54.678 54.840 -0.052 0.000 0.900 293 L CB -0.190 41.852 42.059 -0.029 0.000 1.146 293 L HN 0.354 nan 8.230 nan 0.000 0.484 294 A N 0.759 123.568 122.820 -0.018 0.000 2.340 294 A HA 0.672 4.992 4.320 -0.000 0.000 0.268 294 A C 0.456 178.029 177.584 -0.019 0.000 1.100 294 A CA -0.225 51.812 52.037 -0.001 0.000 0.803 294 A CB 0.515 19.505 19.000 -0.016 0.000 1.043 294 A HN 0.198 nan 8.150 nan 0.000 0.488 295 A N 2.381 125.191 122.820 -0.017 0.000 2.462 295 A HA 0.575 4.895 4.320 -0.000 0.000 0.243 295 A C 0.415 177.882 177.584 -0.196 0.000 1.076 295 A CA -0.031 51.918 52.037 -0.147 0.000 0.773 295 A CB 0.147 18.973 19.000 -0.290 0.000 1.010 295 A HN 0.767 nan 8.150 nan 0.000 0.493 296 R N 1.962 122.323 120.500 -0.231 0.000 2.651 296 R HA 0.443 4.783 4.340 -0.000 0.000 0.278 296 R C -3.158 173.005 176.300 -0.230 0.000 1.010 296 R CA -1.911 54.076 56.100 -0.188 0.000 0.896 296 R CB 2.061 32.296 30.300 -0.109 0.000 1.211 296 R HN 0.517 nan 8.270 nan 0.000 0.456 297 P HA 0.086 nan 4.420 nan 0.000 0.271 297 P C -0.203 177.032 177.300 -0.108 0.000 1.218 297 P CA -0.229 62.761 63.100 -0.183 0.000 0.780 297 P CB 0.775 32.395 31.700 -0.132 0.000 0.901 298 V N -0.221 119.638 119.914 -0.091 0.000 2.815 298 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 298 V C -0.223 175.983 176.094 0.186 0.000 1.064 298 V CA -1.050 61.273 62.300 0.038 0.000 0.952 298 V CB 2.160 33.966 31.823 -0.029 0.000 1.020 298 V HN 0.288 nan 8.190 nan 0.000 0.439 299 K N 2.295 122.856 120.400 0.268 0.000 2.235 299 K HA 0.757 5.077 4.320 -0.000 0.000 0.266 299 K C -0.047 176.783 176.600 0.383 0.000 0.980 299 K CA -0.380 56.065 56.287 0.263 0.000 0.849 299 K CB 2.057 34.642 32.500 0.142 0.000 1.098 299 K HN 1.065 nan 8.250 nan 0.000 0.445 300 A N 3.905 126.922 122.820 0.329 0.000 2.445 300 A HA 0.271 4.591 4.320 -0.000 0.000 0.242 300 A C 0.033 177.576 177.584 -0.068 0.000 1.075 300 A CA -0.168 51.835 52.037 -0.058 0.000 0.777 300 A CB -0.049 18.849 19.000 -0.170 0.000 1.013 300 A HN 0.743 nan 8.150 nan 0.000 0.493 301 I N 2.377 122.838 120.570 -0.181 0.000 2.337 301 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 301 I C -0.303 175.721 176.117 -0.155 0.000 1.041 301 I CA 0.011 61.252 61.300 -0.098 0.000 1.199 301 I CB 1.321 39.283 38.000 -0.063 0.000 1.370 301 I HN 0.529 nan 8.210 nan 0.000 0.470 302 T N 6.407 120.903 114.554 -0.098 0.000 2.874 302 T HA 0.407 4.757 4.350 -0.000 0.000 0.321 302 T C -1.681 172.984 174.700 -0.060 0.000 1.075 302 T CA -0.952 61.097 62.100 -0.085 0.000 0.966 302 T CB 0.661 69.497 68.868 -0.053 0.000 1.001 302 T HN 0.453 nan 8.240 nan 0.000 0.476 303 P HA 0.537 nan 4.420 nan 0.000 0.281 303 P C -3.059 174.158 177.300 -0.139 0.000 1.281 303 P CA -2.151 60.894 63.100 -0.092 0.000 0.811 303 P CB 0.067 31.726 31.700 -0.067 0.000 1.154 304 P HA 0.074 nan 4.420 nan 0.000 0.265 304 P C -0.310 176.832 177.300 -0.263 0.000 1.193 304 P CA 0.430 63.332 63.100 -0.330 0.000 0.765 304 P CB -0.047 31.289 31.700 -0.607 0.000 0.823 305 T N 5.640 120.044 114.554 -0.250 0.000 2.851 305 T HA 0.230 4.580 4.350 -0.000 0.000 0.298 305 T C -2.091 172.483 174.700 -0.212 0.000 0.977 305 T CA -0.964 61.017 62.100 -0.197 0.000 1.126 305 T CB -0.102 68.648 68.868 -0.197 0.000 0.916 305 T HN 0.270 nan 8.240 nan 0.000 0.529 306 P HA 0.206 nan 4.420 nan 0.000 0.270 306 P C -0.563 176.661 177.300 -0.126 0.000 1.223 306 P CA -0.458 62.563 63.100 -0.131 0.000 0.785 306 P CB 0.320 31.966 31.700 -0.091 0.000 0.923 307 A N 2.219 124.978 122.820 -0.101 0.000 2.583 307 A HA 0.032 4.352 4.320 -0.000 0.000 0.249 307 A C 0.146 177.674 177.584 -0.094 0.000 1.035 307 A CA 0.315 52.298 52.037 -0.091 0.000 0.777 307 A CB -0.838 18.122 19.000 -0.066 0.000 0.942 307 A HN 0.365 nan 8.150 nan 0.000 0.516 308 V N 6.131 125.981 119.914 -0.107 0.000 2.406 308 V HA 0.122 4.242 4.120 -0.000 0.000 0.272 308 V C 1.567 177.620 176.094 -0.068 0.000 1.043 308 V CA -0.277 61.967 62.300 -0.093 0.000 0.915 308 V CB 0.850 32.602 31.823 -0.120 0.000 0.988 308 V HN 1.058 nan 8.190 nan 0.000 0.466 309 R N 3.622 124.091 120.500 -0.052 0.000 2.081 309 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 309 R C 1.290 177.573 176.300 -0.028 0.000 1.131 309 R CA 1.432 57.504 56.100 -0.047 0.000 0.960 309 R CB -0.073 30.201 30.300 -0.044 0.000 0.856 309 R HN 0.737 nan 8.270 nan 0.000 0.436 310 A N 1.661 124.492 122.820 0.018 0.000 3.037 310 A HA 0.264 4.584 4.320 -0.000 0.000 0.272 310 A C -0.551 177.131 177.584 0.164 0.000 1.723 310 A CA 0.060 52.163 52.037 0.109 0.000 1.413 310 A CB 0.100 19.194 19.000 0.156 0.000 1.112 310 A HN 0.053 nan 8.150 nan 0.000 0.606 311 S N 0.603 116.363 115.700 0.100 0.000 2.570 311 S HA 0.547 5.017 4.470 -0.000 0.000 0.286 311 S C -1.002 173.674 174.600 0.126 0.000 1.099 311 S CA -0.583 57.691 58.200 0.125 0.000 0.913 311 S CB 1.250 64.436 63.200 -0.024 0.000 1.085 311 S HN 0.704 nan 8.310 nan 0.000 0.480 312 W N 3.805 125.130 121.300 0.041 0.000 2.308 312 W HA 0.568 5.228 4.660 -0.000 0.000 0.311 312 W C -1.871 174.506 176.519 -0.237 0.000 1.088 312 W CA -0.524 56.794 57.345 -0.044 0.000 1.309 312 W CB 0.584 30.121 29.460 0.128 0.000 1.229 312 W HN 0.336 nan 8.180 nan 0.000 0.427 313 V N 7.665 127.117 119.914 -0.769 0.000 2.417 313 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 313 V C -0.033 175.626 176.094 -0.726 0.000 1.024 313 V CA -0.342 61.467 62.300 -0.819 0.000 0.861 313 V CB 1.185 32.014 31.823 -1.657 0.000 0.985 313 V HN 0.689 nan 8.190 nan 0.000 0.436 314 H N 2.558 121.542 119.070 -0.144 0.000 2.948 314 H HA 0.911 5.467 4.556 -0.000 0.000 0.315 314 H C -1.276 174.326 175.328 0.456 0.000 1.360 314 H CA -1.316 54.785 56.048 0.087 0.000 1.125 314 H CB 2.234 32.072 29.762 0.128 0.000 1.844 314 H HN 0.432 nan 8.280 nan 0.000 0.529 315 K N 1.125 121.674 120.400 0.247 0.000 2.570 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.256 315 K C -1.415 175.329 176.600 0.241 0.000 0.939 315 K CA -0.060 56.316 56.287 0.149 0.000 0.833 315 K CB 2.030 34.596 32.500 0.111 0.000 1.318 315 K HN 0.921 nan 8.250 nan 0.000 0.433 316 T N -0.008 114.688 114.554 0.237 0.000 2.918 316 T HA 0.871 5.221 4.350 -0.000 0.000 0.283 316 T C 0.315 175.133 174.700 0.196 0.000 1.001 316 T CA -0.466 61.809 62.100 0.292 0.000 1.041 316 T CB 1.629 70.557 68.868 0.100 0.000 1.028 316 T HN 0.658 nan 8.240 nan 0.000 0.511 317 G N -0.605 108.312 108.800 0.195 0.000 2.742 317 G HA2 0.742 4.702 3.960 -0.000 0.000 0.296 317 G HA3 0.742 4.702 3.960 -0.000 0.000 0.296 317 G C -1.491 173.513 174.900 0.174 0.000 1.436 317 G CA -0.520 44.698 45.100 0.197 0.000 0.928 317 G HN 1.125 nan 8.290 nan 0.000 0.520 318 A N 0.393 123.314 122.820 0.168 0.000 2.609 318 A HA 0.998 5.318 4.320 -0.000 0.000 0.291 318 A C 0.012 177.679 177.584 0.139 0.000 1.096 318 A CA 0.122 52.258 52.037 0.164 0.000 0.684 318 A CB 1.650 20.716 19.000 0.111 0.000 1.282 318 A HN 1.930 nan 8.150 nan 0.000 0.412 319 T N -2.622 112.047 114.554 0.191 0.000 2.693 319 T HA 0.626 4.976 4.350 -0.000 0.000 0.278 319 T C 1.284 176.082 174.700 0.164 0.000 0.994 319 T CA 0.196 62.377 62.100 0.135 0.000 1.033 319 T CB 0.918 69.911 68.868 0.209 0.000 1.342 319 T HN 1.587 nan 8.240 nan 0.000 0.538 320 G N -0.418 108.465 108.800 0.139 0.000 2.432 320 G HA2 0.195 4.155 3.960 -0.000 0.000 0.219 320 G HA3 0.195 4.155 3.960 -0.000 0.000 0.219 320 G C 1.128 176.118 174.900 0.149 0.000 1.135 320 G CA 0.584 45.757 45.100 0.122 0.000 0.767 320 G HN 1.168 nan 8.290 nan 0.000 0.550 321 G N -1.295 107.638 108.800 0.223 0.000 3.377 321 G HA2 0.487 4.447 3.960 -0.000 0.000 0.257 321 G HA3 0.487 4.447 3.960 -0.000 0.000 0.257 321 G C -0.445 174.435 174.900 -0.033 0.000 1.038 321 G CA -0.457 44.690 45.100 0.079 0.000 0.809 321 G HN 0.184 nan 8.290 nan 0.000 0.526 322 F N -0.543 119.533 119.950 0.211 0.000 2.613 322 F HA 0.717 5.244 4.527 -0.000 0.000 0.314 322 F C 0.306 176.243 175.800 0.228 0.000 1.075 322 F CA -1.061 57.102 58.000 0.272 0.000 0.945 322 F CB 2.498 41.678 39.000 0.300 0.000 1.310 322 F HN 0.013 nan 8.300 nan 0.000 0.467 323 G N 0.695 109.773 108.800 0.463 0.000 2.739 323 G HA2 0.556 4.516 3.960 -0.000 0.000 0.291 323 G HA3 0.556 4.516 3.960 -0.000 0.000 0.291 323 G C -1.592 173.481 174.900 0.289 0.000 1.478 323 G CA -0.721 44.536 45.100 0.261 0.000 1.062 323 G HN 0.743 nan 8.290 nan 0.000 0.532 324 S N 0.889 116.729 115.700 0.233 0.000 2.599 324 S HA 0.868 5.338 4.470 -0.000 0.000 0.294 324 S C -1.451 173.340 174.600 0.318 0.000 1.094 324 S CA -1.009 57.347 58.200 0.261 0.000 0.931 324 S CB 2.524 65.871 63.200 0.245 0.000 1.093 324 S HN 1.105 nan 8.310 nan 0.000 0.488 325 Y N 0.049 120.454 120.300 0.174 0.000 2.480 325 Y HA 0.621 5.171 4.550 -0.000 0.000 0.329 325 Y C -2.002 174.047 175.900 0.249 0.000 1.127 325 Y CA -0.948 57.270 58.100 0.197 0.000 1.037 325 Y CB 1.566 40.141 38.460 0.192 0.000 1.320 325 Y HN 0.779 nan 8.280 nan 0.000 0.446 326 V N 4.377 124.104 119.914 -0.312 0.000 2.686 326 V HA 0.971 5.091 4.120 -0.000 0.000 0.306 326 V C -0.900 174.943 176.094 -0.419 0.000 1.065 326 V CA -0.266 61.950 62.300 -0.141 0.000 0.894 326 V CB 1.531 33.534 31.823 0.299 0.000 1.004 326 V HN 1.014 nan 8.190 nan 0.000 0.424 327 A N 4.734 127.342 122.820 -0.353 0.000 2.520 327 A HA 1.035 5.355 4.320 -0.000 0.000 0.298 327 A C -1.303 176.006 177.584 -0.458 0.000 1.051 327 A CA -0.509 51.180 52.037 -0.580 0.000 0.690 327 A CB 1.804 20.330 19.000 -0.789 0.000 1.281 327 A HN 1.445 nan 8.150 nan 0.000 0.402 328 F N -0.704 118.797 119.950 -0.748 0.000 2.668 328 F HA 0.835 5.362 4.527 -0.000 0.000 0.309 328 F C -1.434 174.010 175.800 -0.592 0.000 1.117 328 F CA -1.240 56.400 58.000 -0.600 0.000 0.951 328 F CB 1.302 40.013 39.000 -0.482 0.000 1.323 328 F HN 0.316 nan 8.300 nan 0.000 0.451 329 I N 2.520 122.916 120.570 -0.290 0.000 2.466 329 I HA 0.319 4.489 4.170 -0.000 0.000 0.279 329 I C -2.128 173.886 176.117 -0.171 0.000 1.033 329 I CA -1.887 59.210 61.300 -0.338 0.000 1.123 329 I CB 1.915 39.580 38.000 -0.559 0.000 1.237 329 I HN 0.386 nan 8.210 nan 0.000 0.460 330 P HA -0.233 nan 4.420 nan 0.000 0.215 330 P C 1.419 178.654 177.300 -0.108 0.000 1.157 330 P CA 1.262 64.325 63.100 -0.062 0.000 0.874 330 P CB 0.277 31.952 31.700 -0.043 0.000 0.790 331 E N 0.124 120.258 120.200 -0.110 0.000 2.209 331 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 331 E C 1.044 177.570 176.600 -0.123 0.000 0.993 331 E CA 1.086 57.429 56.400 -0.094 0.000 0.819 331 E CB -0.109 29.558 29.700 -0.054 0.000 0.745 331 E HN 0.256 nan 8.360 nan 0.000 0.477 332 K N -0.011 120.281 120.400 -0.180 0.000 2.358 332 K HA 0.079 4.399 4.320 -0.000 0.000 0.197 332 K C -0.282 176.204 176.600 -0.190 0.000 1.025 332 K CA 0.084 56.256 56.287 -0.192 0.000 1.104 332 K CB 0.631 32.974 32.500 -0.261 0.000 0.855 332 K HN 0.081 nan 8.250 nan 0.000 0.531 333 E N 0.991 121.088 120.200 -0.170 0.000 2.360 333 E HA -0.218 4.132 4.350 -0.000 0.000 0.238 333 E C -0.833 175.671 176.600 -0.161 0.000 1.186 333 E CA 0.313 56.614 56.400 -0.166 0.000 0.719 333 E CB -1.291 28.308 29.700 -0.170 0.000 1.236 333 E HN 0.133 nan 8.360 nan 0.000 0.386 334 L N -0.250 120.881 121.223 -0.153 0.000 2.362 334 L HA 0.775 5.115 4.340 -0.000 0.000 0.275 334 L C 0.141 176.950 176.870 -0.101 0.000 0.998 334 L CA 0.206 54.980 54.840 -0.110 0.000 0.820 334 L CB 2.009 43.983 42.059 -0.141 0.000 1.270 334 L HN 0.069 nan 8.230 nan 0.000 0.415 335 G N 4.220 112.991 108.800 -0.048 0.000 2.660 335 G HA2 0.630 4.590 3.960 -0.000 0.000 0.290 335 G HA3 0.630 4.590 3.960 -0.000 0.000 0.290 335 G C -2.202 172.702 174.900 0.006 0.000 1.432 335 G CA -0.475 44.598 45.100 -0.044 0.000 0.807 335 G HN 0.792 nan 8.290 nan 0.000 0.485 336 I N -0.229 120.348 120.570 0.012 0.000 2.752 336 I HA 0.661 4.831 4.170 -0.000 0.000 0.295 336 I C -1.397 174.781 176.117 0.102 0.000 1.219 336 I CA -0.985 60.363 61.300 0.080 0.000 1.030 336 I CB 2.324 40.389 38.000 0.110 0.000 1.259 336 I HN 0.376 nan 8.210 nan 0.000 0.423 337 V N 7.418 127.430 119.914 0.162 0.000 2.531 337 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 337 V C -0.453 175.770 176.094 0.215 0.000 1.034 337 V CA -0.404 62.009 62.300 0.190 0.000 0.865 337 V CB 1.756 33.707 31.823 0.214 0.000 0.995 337 V HN 0.646 nan 8.190 nan 0.000 0.424 338 M N 6.309 126.046 119.600 0.229 0.000 2.085 338 M HA 0.585 5.065 4.480 -0.000 0.000 0.309 338 M C -1.262 175.139 176.300 0.167 0.000 0.947 338 M CA -0.123 55.314 55.300 0.228 0.000 0.918 338 M CB 1.680 34.465 32.600 0.308 0.000 1.504 338 M HN 0.393 nan 8.290 nan 0.000 0.420 339 L N 3.057 124.279 121.223 -0.001 0.000 2.325 339 L HA 0.950 5.290 4.340 -0.000 0.000 0.281 339 L C -0.358 176.372 176.870 -0.234 0.000 1.004 339 L CA -0.690 54.000 54.840 -0.251 0.000 0.823 339 L CB 1.660 43.192 42.059 -0.877 0.000 1.236 339 L HN 0.769 nan 8.230 nan 0.000 0.415 340 A N 2.116 125.057 122.820 0.202 0.000 2.435 340 A HA 0.580 4.900 4.320 -0.000 0.000 0.304 340 A C -0.361 177.595 177.584 0.620 0.000 1.064 340 A CA -0.760 51.528 52.037 0.419 0.000 0.727 340 A CB 1.254 20.483 19.000 0.382 0.000 1.284 340 A HN 0.749 nan 8.150 nan 0.000 0.415 341 N N 1.210 120.216 118.700 0.509 0.000 2.758 341 N HA 0.188 4.928 4.740 -0.000 0.000 0.293 341 N C -0.510 175.001 175.510 0.002 0.000 1.273 341 N CA -0.118 52.941 53.050 0.015 0.000 1.022 341 N CB 0.168 38.614 38.487 -0.069 0.000 1.334 341 N HN 0.600 nan 8.380 nan 0.000 0.519 342 K N 0.097 120.595 120.400 0.163 0.000 2.543 342 K HA 0.239 4.559 4.320 -0.000 0.000 0.255 342 K C -1.642 175.147 176.600 0.315 0.000 0.934 342 K CA -0.696 55.706 56.287 0.191 0.000 0.810 342 K CB 1.194 33.798 32.500 0.172 0.000 1.315 342 K HN -0.017 nan 8.250 nan 0.000 0.433 343 N N 3.926 122.770 118.700 0.240 0.000 2.482 343 N HA 0.121 4.861 4.740 -0.000 0.000 0.242 343 N C -1.441 174.195 175.510 0.210 0.000 1.100 343 N CA -0.092 53.082 53.050 0.207 0.000 0.946 343 N CB -0.039 38.536 38.487 0.145 0.000 1.227 343 N HN 0.466 nan 8.380 nan 0.000 0.508 344 Y N 1.635 121.982 120.300 0.079 0.000 2.534 344 Y HA 0.770 5.320 4.550 -0.000 0.000 0.329 344 Y C -2.549 173.374 175.900 0.038 0.000 1.154 344 Y CA -3.422 54.708 58.100 0.049 0.000 1.192 344 Y CB -0.609 37.874 38.460 0.038 0.000 1.275 344 Y HN 0.285 nan 8.280 nan 0.000 0.491 345 P HA 0.030 nan 4.420 nan 0.000 0.264 345 P C 0.120 177.301 177.300 -0.199 0.000 1.183 345 P CA 0.253 63.306 63.100 -0.078 0.000 0.763 345 P CB 0.720 32.425 31.700 0.009 0.000 0.807 346 N N 4.380 122.968 118.700 -0.186 0.000 2.061 346 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 346 N C -0.880 174.524 175.510 -0.177 0.000 1.030 346 N CA 1.897 54.821 53.050 -0.210 0.000 0.856 346 N CB -1.928 36.466 38.487 -0.156 0.000 1.023 346 N HN 0.458 nan 8.380 nan 0.000 0.424 347 P HA -0.045 nan 4.420 nan 0.000 0.218 347 P C 1.044 178.322 177.300 -0.037 0.000 1.148 347 P CA 1.420 64.475 63.100 -0.075 0.000 0.822 347 P CB -0.048 31.622 31.700 -0.050 0.000 0.784 348 A N -0.006 122.818 122.820 0.006 0.000 1.930 348 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 348 A C 2.193 179.854 177.584 0.127 0.000 1.175 348 A CA 1.311 53.408 52.037 0.100 0.000 0.627 348 A CB -0.891 18.243 19.000 0.223 0.000 0.815 348 A HN 0.105 nan 8.150 nan 0.000 0.443 349 R N -0.531 119.986 120.500 0.029 0.000 2.062 349 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 349 R C 1.996 178.242 176.300 -0.090 0.000 1.136 349 R CA 1.540 57.642 56.100 0.004 0.000 0.948 349 R CB -0.780 29.386 30.300 -0.224 0.000 0.845 349 R HN 0.365 nan 8.270 nan 0.000 0.430 350 V N 1.825 121.574 119.914 -0.274 0.000 2.343 350 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 350 V C 1.993 178.169 176.094 0.137 0.000 1.051 350 V CA 2.194 64.391 62.300 -0.172 0.000 1.036 350 V CB -0.652 31.072 31.823 -0.165 0.000 0.654 350 V HN 0.360 nan 8.190 nan 0.000 0.451 351 D N 0.559 121.013 120.400 0.090 0.000 2.097 351 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 351 D C 2.095 178.540 176.300 0.242 0.000 0.989 351 D CA 1.587 55.681 54.000 0.157 0.000 0.827 351 D CB -0.157 40.696 40.800 0.087 0.000 0.966 351 D HN 0.363 nan 8.370 nan 0.000 0.456 352 A N 0.509 123.443 122.820 0.190 0.000 1.877 352 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 352 A C 2.425 180.156 177.584 0.244 0.000 1.186 352 A CA 2.146 54.290 52.037 0.178 0.000 0.620 352 A CB -1.209 17.872 19.000 0.136 0.000 0.822 352 A HN 0.360 nan 8.150 nan 0.000 0.443 353 A N -1.090 121.944 122.820 0.357 0.000 1.902 353 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 353 A C 2.112 180.014 177.584 0.529 0.000 1.181 353 A CA 1.450 53.773 52.037 0.477 0.000 0.623 353 A CB -0.922 18.547 19.000 0.781 0.000 0.818 353 A HN 0.906 nan 8.150 nan 0.000 0.443 354 W N 0.604 122.137 121.300 0.388 0.000 2.358 354 W HA -0.178 4.482 4.660 -0.000 0.000 0.303 354 W C 1.753 178.405 176.519 0.222 0.000 1.208 354 W CA 1.916 59.444 57.345 0.305 0.000 1.274 354 W CB -0.323 29.180 29.460 0.070 0.000 1.138 354 W HN 0.381 nan 8.180 nan 0.000 0.515 355 Q N 0.827 120.678 119.800 0.085 0.000 2.096 355 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 355 Q C 2.284 178.219 176.000 -0.109 0.000 0.982 355 Q CA 2.086 57.857 55.803 -0.054 0.000 0.850 355 Q CB -0.811 27.976 28.738 0.082 0.000 0.901 355 Q HN 0.497 nan 8.270 nan 0.000 0.422 356 I N 0.188 120.751 120.570 -0.012 0.000 2.193 356 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 356 I C 2.285 178.376 176.117 -0.044 0.000 1.084 356 I CA 0.798 62.085 61.300 -0.021 0.000 1.365 356 I CB -0.289 37.724 38.000 0.021 0.000 1.064 356 I HN 0.107 nan 8.210 nan 0.000 0.410 357 L N 0.436 121.662 121.223 0.006 0.000 2.131 357 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 357 L C 2.184 178.989 176.870 -0.108 0.000 1.092 357 L CA 1.331 56.168 54.840 -0.005 0.000 0.759 357 L CB -0.787 41.336 42.059 0.107 0.000 0.903 357 L HN 0.349 nan 8.230 nan 0.000 0.435 358 N N 0.373 118.873 118.700 -0.334 0.000 2.331 358 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 358 N C 1.694 177.094 175.510 -0.184 0.000 1.019 358 N CA 1.147 53.947 53.050 -0.416 0.000 0.881 358 N CB 0.110 37.944 38.487 -1.089 0.000 0.972 358 N HN 0.259 nan 8.380 nan 0.000 0.435 359 A N -0.276 122.451 122.820 -0.154 0.000 2.016 359 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 359 A C 1.911 179.474 177.584 -0.034 0.000 1.162 359 A CA 0.638 52.629 52.037 -0.077 0.000 0.662 359 A CB -0.264 18.692 19.000 -0.075 0.000 0.812 359 A HN 0.333 nan 8.150 nan 0.000 0.450 360 L N -0.550 120.661 121.223 -0.020 0.000 2.513 360 L HA 0.068 4.408 4.340 -0.000 0.000 0.222 360 L C 1.632 178.581 176.870 0.132 0.000 1.096 360 L CA -0.110 54.766 54.840 0.059 0.000 0.857 360 L CB -0.286 41.811 42.059 0.064 0.000 1.026 360 L HN 0.582 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.833 119.800 0.055 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.830 55.803 0.046 0.000 1.022 361 Q CB 0.000 28.810 28.738 0.120 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481