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 1o07_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLLVPD EVKSSSDLLR FYQNWQPAWA PGTQRLEANS 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 0.000 177.455 177.584 -0.215 0.000 1.274 4 A CA 0.000 51.898 52.037 -0.232 0.000 0.836 4 A CB 0.000 18.775 19.000 -0.375 0.000 0.831 5 P HA 0.341 nan 4.420 nan 0.000 0.268 5 P C 0.267 177.454 177.300 -0.187 0.000 1.205 5 P CA 0.052 63.019 63.100 -0.221 0.000 0.771 5 P CB 0.714 32.246 31.700 -0.280 0.000 0.858 6 Q N 1.587 121.322 119.800 -0.108 0.000 2.369 6 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 6 Q C 1.932 177.886 176.000 -0.077 0.000 0.963 6 Q CA 1.386 57.149 55.803 -0.066 0.000 0.894 6 Q CB -0.335 28.384 28.738 -0.032 0.000 0.965 6 Q HN 0.490 nan 8.270 nan 0.000 0.475 7 Q N -0.279 119.448 119.800 -0.121 0.000 2.077 7 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 7 Q C 1.758 177.661 176.000 -0.161 0.000 0.989 7 Q CA 1.855 57.575 55.803 -0.139 0.000 0.853 7 Q CB -0.127 28.501 28.738 -0.185 0.000 0.907 7 Q HN 0.534 nan 8.270 nan 0.000 0.418 8 I N 0.337 120.767 120.570 -0.233 0.000 2.202 8 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 8 I C 1.951 178.028 176.117 -0.067 0.000 1.091 8 I CA 1.220 62.398 61.300 -0.203 0.000 1.368 8 I CB -0.527 37.295 38.000 -0.296 0.000 1.058 8 I HN 0.296 nan 8.210 nan 0.000 0.410 9 N N 0.800 119.514 118.700 0.023 0.000 2.137 9 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 9 N C 1.196 176.764 175.510 0.097 0.000 1.017 9 N CA 1.543 54.672 53.050 0.132 0.000 0.859 9 N CB -0.072 38.481 38.487 0.110 0.000 1.002 9 N HN 0.351 nan 8.380 nan 0.000 0.428 10 D N 0.444 120.870 120.400 0.042 0.000 2.183 10 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 10 D C 1.799 178.112 176.300 0.022 0.000 0.962 10 D CA 0.289 54.320 54.000 0.051 0.000 0.849 10 D CB -0.123 40.685 40.800 0.014 0.000 0.978 10 D HN 0.151 nan 8.370 nan 0.000 0.488 11 I N 0.378 120.934 120.570 -0.023 0.000 2.353 11 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 11 I C 1.976 178.071 176.117 -0.036 0.000 1.119 11 I CA 0.846 62.124 61.300 -0.036 0.000 1.417 11 I CB -0.026 37.939 38.000 -0.059 0.000 1.078 11 I HN -0.192 nan 8.210 nan 0.000 0.421 12 V N 0.182 120.045 119.914 -0.084 0.000 2.358 12 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 12 V C 2.554 178.712 176.094 0.107 0.000 1.047 12 V CA 2.212 64.435 62.300 -0.129 0.000 1.035 12 V CB -1.057 30.395 31.823 -0.619 0.000 0.658 12 V HN 0.537 nan 8.190 nan 0.000 0.452 13 H N 1.572 120.673 119.070 0.053 0.000 2.363 13 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 13 H C 2.400 177.782 175.328 0.091 0.000 1.074 13 H CA 2.034 58.174 56.048 0.154 0.000 1.354 13 H CB -0.152 29.689 29.762 0.131 0.000 1.397 13 H HN 0.485 nan 8.280 nan 0.000 0.516 14 R N -0.838 119.651 120.500 -0.019 0.000 2.235 14 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 14 R C 1.125 177.403 176.300 -0.038 0.000 1.059 14 R CA 1.553 57.601 56.100 -0.086 0.000 0.997 14 R CB -0.210 30.048 30.300 -0.070 0.000 0.884 14 R HN 0.197 nan 8.270 nan 0.000 0.462 15 T N 1.080 115.630 114.554 -0.007 0.000 3.053 15 T HA 0.188 4.538 4.350 -0.000 0.000 0.236 15 T C 1.884 176.558 174.700 -0.043 0.000 0.996 15 T CA 0.306 62.401 62.100 -0.009 0.000 1.185 15 T CB 0.147 69.021 68.868 0.010 0.000 0.892 15 T HN -0.003 nan 8.240 nan 0.000 0.432 16 I N 2.054 122.586 120.570 -0.064 0.000 2.333 16 I HA -0.051 4.118 4.170 -0.000 0.000 0.246 16 I C 2.601 178.511 176.117 -0.345 0.000 1.106 16 I CA 1.334 62.489 61.300 -0.241 0.000 1.411 16 I CB -1.808 35.967 38.000 -0.375 0.000 1.082 16 I HN 0.250 nan 8.210 nan 0.000 0.420 17 T N 2.300 116.791 114.554 -0.105 0.000 2.684 17 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 17 T C -0.298 174.349 174.700 -0.088 0.000 1.036 17 T CA 1.719 63.807 62.100 -0.019 0.000 1.148 17 T CB -1.401 67.740 68.868 0.456 0.000 0.863 17 T HN 0.230 nan 8.240 nan 0.000 0.436 18 P HA 0.040 nan 4.420 nan 0.000 0.219 18 P C 1.624 178.860 177.300 -0.105 0.000 1.150 18 P CA 0.381 63.438 63.100 -0.071 0.000 0.814 18 P CB -0.170 31.498 31.700 -0.053 0.000 0.787 19 L N -0.531 120.609 121.223 -0.140 0.000 2.042 19 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 19 L C 2.105 178.827 176.870 -0.248 0.000 1.076 19 L CA 1.879 56.617 54.840 -0.170 0.000 0.749 19 L CB -1.101 40.853 42.059 -0.174 0.000 0.893 19 L HN -0.128 nan 8.230 nan 0.000 0.432 20 I N -0.611 119.774 120.570 -0.309 0.000 2.226 20 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 20 I C 2.408 178.413 176.117 -0.186 0.000 1.100 20 I CA 1.006 62.119 61.300 -0.311 0.000 1.374 20 I CB -0.434 37.328 38.000 -0.397 0.000 1.057 20 I HN 0.300 nan 8.210 nan 0.000 0.413 21 E N 0.362 120.484 120.200 -0.131 0.000 2.072 21 E HA -0.286 4.063 4.350 -0.000 0.000 0.191 21 E C 2.032 178.591 176.600 -0.068 0.000 0.985 21 E CA 1.224 57.580 56.400 -0.075 0.000 0.801 21 E CB -0.360 29.315 29.700 -0.042 0.000 0.750 21 E HN 0.581 nan 8.360 nan 0.000 0.452 22 Q N 0.169 119.924 119.800 -0.075 0.000 2.123 22 Q HA -0.119 4.221 4.340 -0.000 0.000 0.199 22 Q C 1.686 177.654 176.000 -0.052 0.000 0.966 22 Q CA 0.966 56.739 55.803 -0.051 0.000 0.845 22 Q CB 0.284 28.998 28.738 -0.040 0.000 0.907 22 Q HN 0.066 nan 8.270 nan 0.000 0.439 23 Q N 0.203 119.946 119.800 -0.094 0.000 2.360 23 Q HA 0.055 4.395 4.340 -0.000 0.000 0.202 23 Q C -0.282 175.671 176.000 -0.078 0.000 0.915 23 Q CA 0.309 56.059 55.803 -0.089 0.000 0.943 23 Q CB 0.653 29.260 28.738 -0.217 0.000 1.064 23 Q HN 0.309 nan 8.270 nan 0.000 0.511 24 K N 0.625 120.977 120.400 -0.080 0.000 3.077 24 K HA -0.175 4.145 4.320 -0.000 0.000 0.264 24 K C -0.556 176.007 176.600 -0.061 0.000 1.008 24 K CA 0.214 56.466 56.287 -0.058 0.000 0.740 24 K CB -1.827 30.656 32.500 -0.029 0.000 1.273 24 K HN 0.244 nan 8.250 nan 0.000 0.477 25 I N 0.917 121.424 120.570 -0.105 0.000 2.452 25 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 25 I C -0.941 175.158 176.117 -0.030 0.000 1.079 25 I CA -2.001 59.250 61.300 -0.081 0.000 1.387 25 I CB 0.821 38.707 38.000 -0.190 0.000 1.404 25 I HN 0.025 nan 8.210 nan 0.000 0.522 26 P HA -0.008 nan 4.420 nan 0.000 0.217 26 P C 0.359 177.716 177.300 0.095 0.000 1.151 26 P CA 0.523 63.621 63.100 -0.002 0.000 0.828 26 P CB 0.311 31.925 31.700 -0.142 0.000 0.788 27 G N -1.192 107.717 108.800 0.183 0.000 2.746 27 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 27 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 27 G C -1.966 173.173 174.900 0.397 0.000 1.426 27 G CA -0.369 44.911 45.100 0.300 0.000 0.989 27 G HN 0.040 nan 8.290 nan 0.000 0.520 28 M N 1.560 121.429 119.600 0.449 0.000 2.365 28 M HA 0.713 5.193 4.480 -0.000 0.000 0.287 28 M C -1.414 175.209 176.300 0.538 0.000 1.154 28 M CA -0.506 55.023 55.300 0.383 0.000 0.941 28 M CB 2.194 34.864 32.600 0.116 0.000 1.704 28 M HN 1.025 nan 8.290 nan 0.000 0.479 29 A N 3.842 126.848 122.820 0.309 0.000 2.343 29 A HA 0.856 5.176 4.320 -0.000 0.000 0.316 29 A C -1.627 176.163 177.584 0.342 0.000 1.104 29 A CA -0.616 51.640 52.037 0.365 0.000 0.768 29 A CB 1.560 20.726 19.000 0.278 0.000 1.213 29 A HN 0.622 nan 8.150 nan 0.000 0.456 30 V N 1.086 121.323 119.914 0.537 0.000 2.680 30 V HA 0.822 4.942 4.120 -0.000 0.000 0.309 30 V C 0.230 176.662 176.094 0.565 0.000 1.052 30 V CA -0.245 62.353 62.300 0.497 0.000 0.908 30 V CB 1.796 33.932 31.823 0.523 0.000 1.001 30 V HN 1.347 nan 8.190 nan 0.000 0.431 31 A N 3.553 126.625 122.820 0.419 0.000 2.371 31 A HA 0.879 5.199 4.320 -0.000 0.000 0.311 31 A C -1.190 176.551 177.584 0.260 0.000 1.068 31 A CA -0.569 51.664 52.037 0.327 0.000 0.744 31 A CB 1.949 21.091 19.000 0.236 0.000 1.239 31 A HN 0.680 nan 8.150 nan 0.000 0.435 32 V N 4.540 124.625 119.914 0.286 0.000 2.349 32 V HA 0.235 4.355 4.120 -0.000 0.000 0.284 32 V C -0.487 175.740 176.094 0.221 0.000 1.014 32 V CA -0.508 61.942 62.300 0.250 0.000 0.826 32 V CB 1.124 33.128 31.823 0.300 0.000 1.009 32 V HN 0.736 nan 8.190 nan 0.000 0.431 33 I N 5.232 125.870 120.570 0.113 0.000 2.517 33 I HA 0.189 4.359 4.170 -0.000 0.000 0.285 33 I C -0.392 175.835 176.117 0.183 0.000 1.106 33 I CA 0.237 61.584 61.300 0.077 0.000 1.402 33 I CB -0.155 37.823 38.000 -0.037 0.000 1.399 33 I HN 0.648 nan 8.210 nan 0.000 0.535 34 Y N 6.149 126.522 120.300 0.121 0.000 2.329 34 Y HA 0.281 4.831 4.550 0.000 0.000 0.328 34 Y C 0.387 176.341 175.900 0.090 0.000 0.992 34 Y CA -0.526 57.637 58.100 0.105 0.000 1.151 34 Y CB 1.016 39.565 38.460 0.149 0.000 1.150 34 Y HN 0.694 nan 8.280 nan 0.000 0.450 35 Q N 4.447 123.977 119.800 -0.449 0.000 2.475 35 Q HA -0.260 4.080 4.340 -0.000 0.000 0.280 35 Q C 1.042 176.950 176.000 -0.153 0.000 1.234 35 Q CA 1.203 56.806 55.803 -0.333 0.000 0.873 35 Q CB -1.596 26.918 28.738 -0.374 0.000 1.256 35 Q HN 1.401 nan 8.270 nan 0.000 0.475 36 G N -0.154 108.569 108.800 -0.128 0.000 2.225 36 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.254 36 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.254 36 G C 0.080 174.919 174.900 -0.102 0.000 0.988 36 G CA 0.569 45.600 45.100 -0.114 0.000 0.625 36 G HN 0.336 nan 8.290 nan 0.000 0.527 37 K N 1.789 122.137 120.400 -0.086 0.000 2.130 37 K HA 0.594 4.914 4.320 -0.000 0.000 0.268 37 K C -2.451 173.952 176.600 -0.328 0.000 0.983 37 K CA -2.131 54.043 56.287 -0.187 0.000 0.893 37 K CB 2.111 34.502 32.500 -0.181 0.000 1.066 37 K HN 0.096 nan 8.250 nan 0.000 0.450 38 P HA 0.210 nan 4.420 nan 0.000 0.290 38 P C -1.578 175.087 177.300 -1.060 0.000 1.275 38 P CA -0.332 62.410 63.100 -0.597 0.000 0.841 38 P CB 0.673 32.063 31.700 -0.517 0.000 1.042 39 Y N 0.686 120.688 120.300 -0.497 0.000 2.442 39 Y HA 0.481 5.031 4.550 -0.000 0.000 0.344 39 Y C -0.180 175.315 175.900 -0.675 0.000 0.976 39 Y CA -0.418 57.394 58.100 -0.480 0.000 1.040 39 Y CB 1.927 40.298 38.460 -0.148 0.000 1.228 39 Y HN 0.289 nan 8.280 nan 0.000 0.451 40 Y N 2.343 122.405 120.300 -0.398 0.000 2.485 40 Y HA 0.725 5.275 4.550 -0.000 0.000 0.345 40 Y C -1.146 174.296 175.900 -0.764 0.000 0.998 40 Y CA -1.316 56.583 58.100 -0.335 0.000 1.059 40 Y CB 1.839 40.210 38.460 -0.149 0.000 1.234 40 Y HN 0.397 nan 8.280 nan 0.000 0.461 41 F N 0.472 120.518 119.950 0.159 0.000 2.573 41 F HA 0.576 5.103 4.527 -0.000 0.000 0.316 41 F C -0.388 175.286 175.800 -0.209 0.000 1.148 41 F CA -0.918 56.987 58.000 -0.158 0.000 0.940 41 F CB 2.297 41.224 39.000 -0.122 0.000 1.214 41 F HN 0.377 nan 8.300 nan 0.000 0.448 42 T N -1.320 113.026 114.554 -0.347 0.000 2.906 42 T HA 0.695 5.045 4.350 -0.000 0.000 0.295 42 T C -1.515 172.998 174.700 -0.312 0.000 1.061 42 T CA -0.748 61.296 62.100 -0.093 0.000 1.000 42 T CB 2.098 70.984 68.868 0.030 0.000 1.103 42 T HN 0.617 nan 8.240 nan 0.000 0.486 43 W N 0.296 121.660 121.300 0.107 0.000 3.256 43 W HA 0.483 5.143 4.660 -0.000 0.000 0.324 43 W C 0.747 177.272 176.519 0.009 0.000 1.196 43 W CA -0.231 57.139 57.345 0.041 0.000 1.206 43 W CB 1.734 31.222 29.460 0.047 0.000 1.385 43 W HN 1.400 nan 8.180 nan 0.000 0.522 44 G N 1.664 110.517 108.800 0.088 0.000 2.569 44 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.259 44 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.259 44 G C -1.549 173.262 174.900 -0.148 0.000 1.263 44 G CA -0.250 44.759 45.100 -0.151 0.000 0.928 44 G HN 0.559 nan 8.290 nan 0.000 0.572 45 Y N 0.385 120.768 120.300 0.137 0.000 2.350 45 Y HA 0.551 5.101 4.550 -0.000 0.000 0.338 45 Y C 1.380 177.376 175.900 0.160 0.000 0.961 45 Y CA -0.354 57.818 58.100 0.119 0.000 1.100 45 Y CB 1.920 40.417 38.460 0.062 0.000 1.179 45 Y HN 0.832 nan 8.280 nan 0.000 0.454 46 A N 1.422 124.438 122.820 0.326 0.000 1.933 46 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 46 A C 0.461 178.245 177.584 0.333 0.000 1.175 46 A CA 1.772 53.951 52.037 0.237 0.000 0.628 46 A CB -0.067 19.008 19.000 0.124 0.000 0.814 46 A HN 0.683 nan 8.150 nan 0.000 0.444 47 D N -1.436 119.154 120.400 0.317 0.000 2.476 47 D HA 0.424 5.064 4.640 -0.000 0.000 0.251 47 D C 0.650 177.014 176.300 0.106 0.000 1.291 47 D CA -0.484 53.718 54.000 0.338 0.000 0.939 47 D CB 0.749 41.733 40.800 0.308 0.000 1.221 47 D HN 0.138 nan 8.370 nan 0.000 0.567 48 I N 2.300 122.909 120.570 0.066 0.000 2.226 48 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 48 I C 2.391 178.360 176.117 -0.247 0.000 1.100 48 I CA 1.358 62.544 61.300 -0.188 0.000 1.374 48 I CB -0.006 37.831 38.000 -0.272 0.000 1.057 48 I HN 0.443 nan 8.210 nan 0.000 0.413 49 A N 0.677 123.424 122.820 -0.122 0.000 1.898 49 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 49 A C 2.231 179.738 177.584 -0.128 0.000 1.181 49 A CA 1.352 53.316 52.037 -0.122 0.000 0.620 49 A CB -0.365 18.577 19.000 -0.096 0.000 0.819 49 A HN 0.325 nan 8.150 nan 0.000 0.442 50 K N -0.806 119.536 120.400 -0.096 0.000 2.486 50 K HA 0.009 4.329 4.320 -0.000 0.000 0.194 50 K C -0.230 176.276 176.600 -0.156 0.000 1.033 50 K CA 0.503 56.742 56.287 -0.080 0.000 1.004 50 K CB 0.023 32.525 32.500 0.002 0.000 0.798 50 K HN 0.283 nan 8.250 nan 0.000 0.495 51 K N 1.811 121.987 120.400 -0.373 0.000 3.156 51 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 51 K C -0.814 175.687 176.600 -0.164 0.000 0.966 51 K CA 0.588 56.453 56.287 -0.703 0.000 0.719 51 K CB -1.121 31.064 32.500 -0.524 0.000 1.333 51 K HN 0.196 nan 8.250 nan 0.000 0.468 52 Q N 0.701 120.488 119.800 -0.021 0.000 2.314 52 Q HA 0.176 4.516 4.340 -0.000 0.000 0.257 52 Q C -2.103 174.076 176.000 0.298 0.000 0.975 52 Q CA -1.797 54.086 55.803 0.133 0.000 0.933 52 Q CB 1.007 29.811 28.738 0.110 0.000 1.195 52 Q HN 0.160 nan 8.270 nan 0.000 0.426 53 P HA 0.032 nan 4.420 nan 0.000 0.271 53 P C -0.078 177.339 177.300 0.194 0.000 1.218 53 P CA -0.281 62.974 63.100 0.259 0.000 0.780 53 P CB 0.814 32.605 31.700 0.151 0.000 0.901 54 V N 3.034 123.071 119.914 0.205 0.000 2.540 54 V HA 0.089 4.209 4.120 -0.000 0.000 0.297 54 V C 1.345 177.535 176.094 0.159 0.000 1.024 54 V CA 0.913 63.347 62.300 0.223 0.000 1.105 54 V CB -0.396 31.639 31.823 0.354 0.000 0.938 54 V HN 0.843 nan 8.190 nan 0.000 0.482 55 T N 1.620 116.252 114.554 0.131 0.000 2.858 55 T HA 0.332 4.682 4.350 -0.000 0.000 0.285 55 T C 0.973 175.710 174.700 0.062 0.000 1.052 55 T CA -0.308 61.831 62.100 0.065 0.000 1.009 55 T CB 1.679 70.559 68.868 0.019 0.000 1.241 55 T HN 0.588 nan 8.240 nan 0.000 0.542 56 Q N 0.331 120.107 119.800 -0.041 0.000 2.197 56 Q HA -0.242 4.098 4.340 -0.000 0.000 0.207 56 Q C 1.291 177.222 176.000 -0.116 0.000 0.984 56 Q CA 1.745 57.461 55.803 -0.145 0.000 0.869 56 Q CB -0.518 28.050 28.738 -0.283 0.000 0.906 56 Q HN 0.870 nan 8.270 nan 0.000 0.426 57 Q N 0.767 120.506 119.800 -0.102 0.000 2.282 57 Q HA 0.169 4.509 4.340 -0.000 0.000 0.206 57 Q C -0.178 175.798 176.000 -0.040 0.000 0.878 57 Q CA -0.027 55.690 55.803 -0.143 0.000 0.944 57 Q CB 0.772 29.372 28.738 -0.231 0.000 1.100 57 Q HN 0.187 nan 8.270 nan 0.000 0.509 58 T N 2.285 116.863 114.554 0.040 0.000 2.829 58 T HA 0.107 4.457 4.350 -0.000 0.000 0.293 58 T C -0.114 174.626 174.700 0.066 0.000 0.970 58 T CA 0.055 62.174 62.100 0.031 0.000 1.168 58 T CB 0.157 69.043 68.868 0.030 0.000 0.911 58 T HN 0.030 nan 8.240 nan 0.000 0.535 59 L N 4.919 126.143 121.223 0.001 0.000 2.319 59 L HA 0.440 4.780 4.340 -0.000 0.000 0.280 59 L C -0.161 176.693 176.870 -0.027 0.000 1.099 59 L CA 0.210 55.061 54.840 0.020 0.000 0.828 59 L CB 0.012 42.006 42.059 -0.109 0.000 1.150 59 L HN 0.514 nan 8.230 nan 0.000 0.442 60 F N 0.660 120.651 119.950 0.068 0.000 2.507 60 F HA 0.420 4.947 4.527 -0.000 0.000 0.327 60 F C 0.579 176.178 175.800 -0.335 0.000 1.068 60 F CA -0.889 57.117 58.000 0.009 0.000 0.965 60 F CB 1.262 40.408 39.000 0.243 0.000 1.192 60 F HN 0.411 nan 8.300 nan 0.000 0.476 61 E N 2.568 122.318 120.200 -0.749 0.000 2.290 61 E HA 0.159 4.509 4.350 -0.000 0.000 0.277 61 E C 0.426 176.967 176.600 -0.098 0.000 1.035 61 E CA -0.055 56.059 56.400 -0.476 0.000 0.873 61 E CB 0.881 30.189 29.700 -0.653 0.000 1.029 61 E HN 0.612 nan 8.360 nan 0.000 0.419 62 L N 2.875 124.103 121.223 0.009 0.000 2.418 62 L HA 0.059 4.399 4.340 -0.000 0.000 0.218 62 L C 1.498 178.457 176.870 0.148 0.000 1.125 62 L CA 0.423 55.330 54.840 0.112 0.000 0.835 62 L CB -0.820 41.307 42.059 0.112 0.000 0.953 62 L HN 0.910 nan 8.230 nan 0.000 0.454 63 G N 0.652 109.540 108.800 0.147 0.000 2.652 63 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.318 63 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.318 63 G C 0.882 175.902 174.900 0.198 0.000 1.295 63 G CA 0.568 45.780 45.100 0.186 0.000 0.999 63 G HN 0.262 nan 8.290 nan 0.000 0.548 64 S N 0.118 115.919 115.700 0.168 0.000 2.603 64 S HA 0.112 4.582 4.470 -0.000 0.000 0.229 64 S C 2.302 176.982 174.600 0.133 0.000 0.972 64 S CA 1.044 59.339 58.200 0.159 0.000 0.935 64 S CB 0.051 63.324 63.200 0.122 0.000 0.769 64 S HN 0.658 nan 8.310 nan 0.000 0.536 65 V N 1.759 121.755 119.914 0.137 0.000 2.720 65 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 65 V C 2.203 178.392 176.094 0.157 0.000 1.082 65 V CA 1.537 63.906 62.300 0.115 0.000 1.101 65 V CB -0.934 30.988 31.823 0.164 0.000 0.693 65 V HN 0.466 nan 8.190 nan 0.000 0.479 66 S N 0.063 115.886 115.700 0.205 0.000 2.392 66 S HA -0.300 4.170 4.470 -0.000 0.000 0.232 66 S C 1.911 176.659 174.600 0.247 0.000 1.041 66 S CA 1.703 60.058 58.200 0.258 0.000 1.026 66 S CB -0.350 62.945 63.200 0.159 0.000 0.845 66 S HN 0.661 nan 8.310 nan 0.000 0.465 67 K N 0.859 121.353 120.400 0.157 0.000 2.218 67 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 67 K C 2.505 179.121 176.600 0.027 0.000 1.046 67 K CA 1.673 58.033 56.287 0.122 0.000 0.933 67 K CB -0.643 31.942 32.500 0.141 0.000 0.728 67 K HN 0.673 nan 8.250 nan 0.000 0.454 68 T N -0.981 113.489 114.554 -0.141 0.000 2.821 68 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 68 T C 1.782 176.490 174.700 0.013 0.000 1.046 68 T CA 0.919 62.770 62.100 -0.414 0.000 1.139 68 T CB -0.433 67.782 68.868 -1.089 0.000 0.871 68 T HN 0.056 nan 8.240 nan 0.000 0.454 69 F N 2.134 122.140 119.950 0.094 0.000 2.146 69 F HA 0.027 4.554 4.527 0.000 0.000 0.298 69 F C 3.059 178.920 175.800 0.102 0.000 1.096 69 F CA 1.402 59.422 58.000 0.033 0.000 1.275 69 F CB -1.197 37.701 39.000 -0.170 0.000 1.008 69 F HN 0.133 nan 8.300 nan 0.000 0.480 70 T N -0.511 114.240 114.554 0.329 0.000 2.746 70 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 70 T C 2.346 177.238 174.700 0.321 0.000 1.039 70 T CA 1.441 63.745 62.100 0.341 0.000 1.142 70 T CB -1.011 68.060 68.868 0.339 0.000 0.866 70 T HN 0.456 nan 8.240 nan 0.000 0.444 71 G N 0.810 109.759 108.800 0.249 0.000 2.402 71 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 71 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 71 G C 1.688 176.741 174.900 0.255 0.000 1.162 71 G CA 0.694 45.932 45.100 0.230 0.000 0.777 71 G HN 0.438 nan 8.290 nan 0.000 0.539 72 V N 0.606 120.681 119.914 0.268 0.000 2.427 72 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 72 V C 2.652 178.865 176.094 0.197 0.000 1.051 72 V CA 1.479 63.946 62.300 0.277 0.000 1.048 72 V CB -0.301 31.783 31.823 0.436 0.000 0.666 72 V HN 0.343 nan 8.190 nan 0.000 0.456 73 L N 1.286 122.600 121.223 0.152 0.000 2.093 73 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 73 L C 2.297 179.176 176.870 0.014 0.000 1.085 73 L CA 2.349 57.199 54.840 0.016 0.000 0.755 73 L CB -1.141 40.845 42.059 -0.123 0.000 0.904 73 L HN 0.263 nan 8.230 nan 0.000 0.435 74 G N -1.242 107.625 108.800 0.111 0.000 2.408 74 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 74 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 74 G C 1.523 176.525 174.900 0.171 0.000 1.150 74 G CA 0.481 45.652 45.100 0.118 0.000 0.776 74 G HN 0.572 nan 8.290 nan 0.000 0.542 75 G N 0.730 109.643 108.800 0.188 0.000 2.440 75 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 75 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 75 G C 1.444 176.398 174.900 0.090 0.000 1.154 75 G CA 1.403 46.591 45.100 0.147 0.000 0.767 75 G HN 0.516 nan 8.290 nan 0.000 0.552 76 D N 0.352 120.792 120.400 0.066 0.000 2.144 76 D HA 0.102 4.742 4.640 -0.000 0.000 0.200 76 D C 2.625 178.925 176.300 -0.000 0.000 0.978 76 D CA 1.292 55.309 54.000 0.028 0.000 0.833 76 D CB -0.242 40.566 40.800 0.013 0.000 0.961 76 D HN 0.239 nan 8.370 nan 0.000 0.470 77 A N -0.034 122.773 122.820 -0.021 0.000 1.969 77 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 77 A C 2.248 179.821 177.584 -0.019 0.000 1.169 77 A CA 0.885 52.893 52.037 -0.049 0.000 0.635 77 A CB -0.675 18.257 19.000 -0.114 0.000 0.810 77 A HN 0.371 nan 8.150 nan 0.000 0.445 78 I N -0.165 120.415 120.570 0.018 0.000 2.252 78 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 78 I C 2.904 179.043 176.117 0.036 0.000 1.102 78 I CA 1.102 62.427 61.300 0.041 0.000 1.385 78 I CB -0.285 37.763 38.000 0.080 0.000 1.064 78 I HN 0.317 nan 8.210 nan 0.000 0.414 79 A N 0.659 123.499 122.820 0.034 0.000 1.969 79 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 79 A C 2.341 179.933 177.584 0.014 0.000 1.169 79 A CA 1.311 53.364 52.037 0.026 0.000 0.635 79 A CB -0.529 18.486 19.000 0.026 0.000 0.810 79 A HN 0.324 nan 8.150 nan 0.000 0.445 80 R N -1.498 119.005 120.500 0.005 0.000 2.280 80 R HA 0.105 4.445 4.340 -0.000 0.000 0.207 80 R C 1.362 177.665 176.300 0.005 0.000 1.043 80 R CA 0.588 56.687 56.100 -0.002 0.000 1.006 80 R CB -0.196 30.094 30.300 -0.016 0.000 0.885 80 R HN 0.711 nan 8.270 nan 0.000 0.467 81 G N 0.805 109.614 108.800 0.014 0.000 2.143 81 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.249 81 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.249 81 G C 0.509 175.428 174.900 0.031 0.000 0.981 81 G CA 0.541 45.656 45.100 0.025 0.000 0.665 81 G HN 0.439 nan 8.290 nan 0.000 0.528 82 E N -0.554 119.656 120.200 0.016 0.000 2.112 82 E HA 0.218 4.568 4.350 -0.000 0.000 0.190 82 E C 1.577 178.204 176.600 0.045 0.000 0.979 82 E CA 1.158 57.569 56.400 0.018 0.000 0.814 82 E CB 0.174 29.858 29.700 -0.026 0.000 0.762 82 E HN 0.896 nan 8.360 nan 0.000 0.460 83 I N -2.165 118.406 120.570 0.002 0.000 2.934 83 I HA 0.479 4.649 4.170 -0.000 0.000 0.306 83 I C -1.207 174.953 176.117 0.071 0.000 1.110 83 I CA -1.226 60.073 61.300 -0.002 0.000 1.019 83 I CB 2.228 40.059 38.000 -0.281 0.000 1.227 83 I HN -0.326 nan 8.210 nan 0.000 0.434 84 K N 3.456 123.941 120.400 0.142 0.000 2.316 84 K HA 0.491 4.811 4.320 -0.000 0.000 0.251 84 K C 0.139 176.822 176.600 0.138 0.000 0.934 84 K CA -0.801 55.563 56.287 0.128 0.000 0.802 84 K CB 2.938 35.516 32.500 0.131 0.000 1.171 84 K HN 0.625 nan 8.250 nan 0.000 0.426 85 L N 0.994 122.279 121.223 0.105 0.000 2.201 85 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 85 L C 2.148 179.056 176.870 0.064 0.000 1.105 85 L CA 1.282 56.168 54.840 0.076 0.000 0.775 85 L CB -0.371 41.685 42.059 -0.005 0.000 0.913 85 L HN 0.743 nan 8.230 nan 0.000 0.440 86 S N -2.208 113.537 115.700 0.075 0.000 2.507 86 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 86 S C 0.640 175.307 174.600 0.113 0.000 0.988 86 S CA 0.048 58.292 58.200 0.073 0.000 0.944 86 S CB -0.477 62.762 63.200 0.065 0.000 0.762 86 S HN 0.260 nan 8.310 nan 0.000 0.526 87 D N 3.922 124.424 120.400 0.169 0.000 2.389 87 D HA 0.316 4.956 4.640 -0.000 0.000 0.247 87 D C -2.549 173.884 176.300 0.221 0.000 1.128 87 D CA -1.627 52.496 54.000 0.205 0.000 0.884 87 D CB 0.696 41.692 40.800 0.325 0.000 1.194 87 D HN 0.166 nan 8.370 nan 0.000 0.441 88 P HA 0.006 nan 4.420 nan 0.000 0.267 88 P C 0.844 178.281 177.300 0.228 0.000 1.200 88 P CA -0.022 63.190 63.100 0.187 0.000 0.772 88 P CB 0.511 32.284 31.700 0.123 0.000 0.855 89 T N 0.414 115.136 114.554 0.279 0.000 2.737 89 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 89 T C 1.569 176.382 174.700 0.187 0.000 1.040 89 T CA 2.376 64.641 62.100 0.275 0.000 1.142 89 T CB -0.875 68.166 68.868 0.290 0.000 0.861 89 T HN 0.639 nan 8.240 nan 0.000 0.456 90 T N -0.381 114.238 114.554 0.108 0.000 3.088 90 T HA 0.170 4.520 4.350 -0.000 0.000 0.259 90 T C 1.705 176.395 174.700 -0.016 0.000 1.122 90 T CA 0.552 62.671 62.100 0.031 0.000 1.095 90 T CB -0.091 68.782 68.868 0.007 0.000 0.930 90 T HN 0.340 nan 8.240 nan 0.000 0.508 91 K N 0.472 120.811 120.400 -0.102 0.000 2.074 91 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 91 K C 1.115 177.432 176.600 -0.472 0.000 1.048 91 K CA 1.691 57.764 56.287 -0.357 0.000 0.926 91 K CB -0.267 31.867 32.500 -0.610 0.000 0.713 91 K HN 0.569 nan 8.250 nan 0.000 0.444 92 Y N -2.797 117.539 120.300 0.059 0.000 2.449 92 Y HA 0.128 4.678 4.550 -0.000 0.000 0.254 92 Y C 0.226 176.177 175.900 0.085 0.000 1.140 92 Y CA -0.532 57.590 58.100 0.036 0.000 1.272 92 Y CB 0.469 38.923 38.460 -0.010 0.000 1.114 92 Y HN 0.136 nan 8.280 nan 0.000 0.525 93 W N 4.109 125.405 121.300 -0.006 0.000 2.291 93 W HA 0.401 5.061 4.660 -0.000 0.000 0.288 93 W C -2.292 174.176 176.519 -0.084 0.000 0.976 93 W CA -3.712 53.594 57.345 -0.065 0.000 1.744 93 W CB 0.901 30.278 29.460 -0.139 0.000 1.815 93 W HN -0.149 nan 8.180 nan 0.000 0.396 94 P HA -0.261 nan 4.420 nan 0.000 0.217 94 P C 1.113 178.377 177.300 -0.060 0.000 1.148 94 P CA 1.835 64.949 63.100 0.024 0.000 0.828 94 P CB 0.305 32.024 31.700 0.032 0.000 0.783 95 E N -0.616 119.537 120.200 -0.078 0.000 2.268 95 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 95 E C 0.767 177.086 176.600 -0.469 0.000 0.995 95 E CA -0.035 56.241 56.400 -0.207 0.000 0.836 95 E CB -0.493 29.158 29.700 -0.082 0.000 0.763 95 E HN 0.049 nan 8.360 nan 0.000 0.491 96 L N 1.905 122.664 121.223 -0.774 0.000 2.415 96 L HA 0.070 4.410 4.340 -0.000 0.000 0.269 96 L C 0.627 177.266 176.870 -0.384 0.000 1.244 96 L CA 0.623 54.975 54.840 -0.813 0.000 1.113 96 L CB 0.213 41.566 42.059 -1.177 0.000 1.352 96 L HN 0.065 nan 8.230 nan 0.000 0.433 97 T N -0.104 114.318 114.554 -0.220 0.000 3.054 97 T HA 0.444 4.794 4.350 -0.000 0.000 0.255 97 T C 0.825 175.543 174.700 0.031 0.000 1.035 97 T CA 0.200 62.258 62.100 -0.069 0.000 0.941 97 T CB 0.127 68.959 68.868 -0.059 0.000 1.026 97 T HN 0.510 nan 8.240 nan 0.000 0.533 98 A N 1.812 124.688 122.820 0.092 0.000 2.386 98 A HA 0.554 4.874 4.320 -0.000 0.000 0.248 98 A C 1.565 179.279 177.584 0.217 0.000 1.082 98 A CA -0.287 51.846 52.037 0.160 0.000 0.789 98 A CB 0.574 19.702 19.000 0.214 0.000 1.025 98 A HN 0.289 nan 8.150 nan 0.000 0.490 99 K N 0.640 121.107 120.400 0.112 0.000 2.155 99 K HA -0.155 4.165 4.320 -0.000 0.000 0.203 99 K C 1.957 178.589 176.600 0.054 0.000 1.052 99 K CA 1.996 58.328 56.287 0.074 0.000 0.948 99 K CB -0.155 32.360 32.500 0.025 0.000 0.728 99 K HN 0.772 nan 8.250 nan 0.000 0.448 100 Q N -0.113 119.679 119.800 -0.014 0.000 2.268 100 Q HA -0.215 4.125 4.340 -0.000 0.000 0.210 100 Q C 1.176 177.063 176.000 -0.189 0.000 0.988 100 Q CA 1.763 57.467 55.803 -0.165 0.000 0.883 100 Q CB -0.925 27.604 28.738 -0.349 0.000 0.911 100 Q HN 0.566 nan 8.270 nan 0.000 0.430 101 W N 1.775 123.138 121.300 0.106 0.000 2.937 101 W HA 0.136 4.796 4.660 -0.000 0.000 0.245 101 W C 1.982 178.569 176.519 0.113 0.000 1.306 101 W CA 0.482 57.909 57.345 0.137 0.000 1.470 101 W CB -0.392 29.130 29.460 0.104 0.000 1.132 101 W HN 0.357 nan 8.180 nan 0.000 0.675 102 N N 0.036 118.868 118.700 0.220 0.000 2.069 102 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 102 N C 1.853 177.467 175.510 0.175 0.000 1.031 102 N CA 1.386 54.538 53.050 0.171 0.000 0.852 102 N CB -0.436 38.114 38.487 0.105 0.000 1.018 102 N HN 0.123 nan 8.380 nan 0.000 0.423 103 G N -0.054 108.842 108.800 0.159 0.000 3.523 103 G HA2 0.264 4.224 3.960 -0.000 0.000 0.270 103 G HA3 0.264 4.224 3.960 -0.000 0.000 0.270 103 G C -0.000 175.066 174.900 0.277 0.000 1.134 103 G CA -0.356 44.856 45.100 0.187 0.000 0.825 103 G HN 0.158 nan 8.290 nan 0.000 0.534 104 I N 2.555 123.318 120.570 0.323 0.000 2.304 104 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 104 I C 0.673 177.077 176.117 0.477 0.000 1.018 104 I CA -0.471 61.104 61.300 0.459 0.000 1.260 104 I CB 1.494 39.726 38.000 0.388 0.000 1.390 104 I HN 0.067 nan 8.210 nan 0.000 0.475 105 T N 2.848 117.686 114.554 0.473 0.000 2.937 105 T HA 0.484 4.834 4.350 -0.000 0.000 0.283 105 T C 1.147 175.979 174.700 0.221 0.000 1.012 105 T CA -0.884 61.364 62.100 0.246 0.000 0.997 105 T CB 1.478 70.384 68.868 0.063 0.000 1.136 105 T HN 0.417 nan 8.240 nan 0.000 0.551 106 L N 0.361 121.712 121.223 0.213 0.000 2.131 106 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 106 L C 2.526 179.430 176.870 0.057 0.000 1.092 106 L CA 0.791 55.778 54.840 0.245 0.000 0.759 106 L CB -0.804 41.440 42.059 0.309 0.000 0.903 106 L HN 0.587 nan 8.230 nan 0.000 0.435 107 L N -0.406 120.780 121.223 -0.063 0.000 2.013 107 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 107 L C 2.741 179.563 176.870 -0.080 0.000 1.073 107 L CA 1.965 56.694 54.840 -0.184 0.000 0.753 107 L CB -0.812 41.140 42.059 -0.178 0.000 0.890 107 L HN 0.257 nan 8.230 nan 0.000 0.432 108 H N -0.402 118.745 119.070 0.128 0.000 2.353 108 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 108 H C 2.377 177.727 175.328 0.036 0.000 1.090 108 H CA 1.996 58.114 56.048 0.116 0.000 1.327 108 H CB -0.503 29.353 29.762 0.156 0.000 1.383 108 H HN 0.376 nan 8.280 nan 0.000 0.508 109 L N 0.053 121.381 121.223 0.174 0.000 2.046 109 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 109 L C 2.849 179.664 176.870 -0.093 0.000 1.077 109 L CA 0.991 55.905 54.840 0.123 0.000 0.747 109 L CB -0.561 41.639 42.059 0.234 0.000 0.896 109 L HN 0.209 nan 8.230 nan 0.000 0.432 110 A N -0.170 122.405 122.820 -0.407 0.000 1.972 110 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 110 A C 2.093 179.275 177.584 -0.670 0.000 1.169 110 A CA 2.066 53.592 52.037 -0.852 0.000 0.635 110 A CB -0.655 17.456 19.000 -1.481 0.000 0.810 110 A HN 0.515 nan 8.150 nan 0.000 0.446 111 T N -6.346 107.927 114.554 -0.468 0.000 3.129 111 T HA 0.336 4.686 4.350 -0.000 0.000 0.267 111 T C 0.282 174.779 174.700 -0.338 0.000 1.018 111 T CA 0.254 62.103 62.100 -0.418 0.000 0.903 111 T CB -0.783 68.112 68.868 0.044 0.000 1.067 111 T HN 0.691 nan 8.240 nan 0.000 0.549 112 Y N 0.862 121.154 120.300 -0.013 0.000 4.272 112 Y HA -0.286 4.264 4.550 0.000 0.000 0.232 112 Y C 1.271 177.133 175.900 -0.063 0.000 1.149 112 Y CA 0.546 58.640 58.100 -0.010 0.000 1.961 112 Y CB -2.921 35.536 38.460 -0.004 0.000 1.611 112 Y HN 0.590 nan 8.280 nan 0.000 0.682 113 T N -4.060 110.493 114.554 -0.002 0.000 3.174 113 T HA 0.627 4.977 4.350 -0.000 0.000 0.269 113 T C 1.494 176.156 174.700 -0.063 0.000 1.017 113 T CA 0.180 62.192 62.100 -0.146 0.000 0.899 113 T CB 0.730 69.279 68.868 -0.532 0.000 1.077 113 T HN 0.486 nan 8.240 nan 0.000 0.552 114 A N 1.565 124.425 122.820 0.066 0.000 2.070 114 A HA 0.487 4.807 4.320 -0.000 0.000 0.220 114 A C 1.906 179.576 177.584 0.144 0.000 1.159 114 A CA 0.811 52.887 52.037 0.065 0.000 0.656 114 A CB -0.958 18.092 19.000 0.084 0.000 0.800 114 A HN 1.531 nan 8.150 nan 0.000 0.453 115 G N -3.110 105.837 108.800 0.245 0.000 2.338 115 G HA2 0.413 4.373 3.960 -0.000 0.000 0.115 115 G HA3 0.413 4.373 3.960 -0.000 0.000 0.115 115 G C 0.986 176.222 174.900 0.560 0.000 1.053 115 G CA 0.314 45.655 45.100 0.402 0.000 0.733 115 G HN 2.034 nan 8.290 nan 0.000 0.482 116 G N -0.831 108.319 108.800 0.583 0.000 2.203 116 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.231 116 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.231 116 G C 0.459 175.654 174.900 0.493 0.000 1.058 116 G CA 0.044 45.457 45.100 0.522 0.000 0.781 116 G HN 1.359 nan 8.290 nan 0.000 0.496 117 L N 1.456 122.830 121.223 0.251 0.000 2.525 117 L HA 0.228 4.568 4.340 -0.000 0.000 0.278 117 L C -0.974 175.980 176.870 0.140 0.000 1.218 117 L CA -1.120 53.667 54.840 -0.088 0.000 0.878 117 L CB 0.366 42.289 42.059 -0.227 0.000 1.127 117 L HN 0.123 nan 8.230 nan 0.000 0.492 118 P HA 0.039 nan 4.420 nan 0.000 0.279 118 P C 1.007 178.386 177.300 0.132 0.000 1.239 118 P CA -0.431 62.782 63.100 0.187 0.000 0.789 118 P CB 1.370 33.209 31.700 0.231 0.000 0.933 119 L N 1.220 122.499 121.223 0.093 0.000 2.167 119 L HA -0.254 4.086 4.340 -0.000 0.000 0.241 119 L C 0.535 177.434 176.870 0.049 0.000 1.123 119 L CA 2.209 57.078 54.840 0.049 0.000 0.849 119 L CB -0.492 41.584 42.059 0.029 0.000 0.947 119 L HN 0.350 nan 8.230 nan 0.000 0.449 120 L N -2.442 118.802 121.223 0.035 0.000 2.341 120 L HA 0.389 4.729 4.340 -0.000 0.000 0.267 120 L C -0.361 176.479 176.870 -0.050 0.000 1.009 120 L CA -0.319 54.528 54.840 0.011 0.000 0.819 120 L CB 1.620 43.666 42.059 -0.022 0.000 1.323 120 L HN -0.312 nan 8.230 nan 0.000 0.425 121 V N 2.836 122.679 119.914 -0.118 0.000 2.572 121 V HA 0.182 4.302 4.120 -0.000 0.000 0.291 121 V C -1.956 173.948 176.094 -0.316 0.000 1.039 121 V CA -1.184 60.876 62.300 -0.401 0.000 1.055 121 V CB 0.617 32.246 31.823 -0.322 0.000 0.969 121 V HN 0.634 nan 8.190 nan 0.000 0.482 122 P HA 0.002 nan 4.420 nan 0.000 0.265 122 P C 0.547 177.766 177.300 -0.136 0.000 1.187 122 P CA 0.200 63.185 63.100 -0.192 0.000 0.766 122 P CB 0.503 32.111 31.700 -0.154 0.000 0.820 123 D N 1.579 121.939 120.400 -0.066 0.000 2.218 123 D HA -0.181 4.459 4.640 -0.000 0.000 0.204 123 D C 1.086 177.370 176.300 -0.026 0.000 0.976 123 D CA 1.314 55.294 54.000 -0.034 0.000 0.853 123 D CB 0.118 40.910 40.800 -0.013 0.000 0.939 123 D HN 0.360 nan 8.370 nan 0.000 0.481 124 E N -0.617 119.566 120.200 -0.028 0.000 2.358 124 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 124 E C 0.082 176.673 176.600 -0.015 0.000 1.010 124 E CA 0.079 56.473 56.400 -0.011 0.000 0.856 124 E CB 0.358 30.059 29.700 0.002 0.000 0.795 124 E HN 0.103 nan 8.360 nan 0.000 0.504 125 V N 1.698 121.581 119.914 -0.051 0.000 2.470 125 V HA 0.042 4.162 4.120 -0.000 0.000 0.276 125 V C 0.761 176.836 176.094 -0.032 0.000 1.040 125 V CA 0.564 62.834 62.300 -0.051 0.000 1.008 125 V CB 1.121 32.852 31.823 -0.154 0.000 0.990 125 V HN 0.130 nan 8.190 nan 0.000 0.477 126 K N 2.252 122.651 120.400 -0.001 0.000 2.642 126 K HA 0.187 4.507 4.320 -0.000 0.000 0.214 126 K C 0.976 177.585 176.600 0.015 0.000 1.451 126 K CA 0.358 56.647 56.287 0.005 0.000 0.917 126 K CB 0.267 32.773 32.500 0.010 0.000 1.779 126 K HN 0.698 nan 8.250 nan 0.000 0.447 127 S N 0.629 116.347 115.700 0.029 0.000 2.608 127 S HA 0.016 4.485 4.470 -0.000 0.000 0.261 127 S C 1.308 175.943 174.600 0.059 0.000 1.314 127 S CA 0.061 58.283 58.200 0.037 0.000 0.992 127 S CB 1.379 64.603 63.200 0.041 0.000 0.935 127 S HN 0.307 nan 8.310 nan 0.000 0.564 128 S N 1.032 116.768 115.700 0.059 0.000 2.399 128 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 128 S C 1.804 176.498 174.600 0.157 0.000 1.022 128 S CA 1.220 59.475 58.200 0.092 0.000 0.983 128 S CB -1.177 62.059 63.200 0.060 0.000 0.803 128 S HN 0.666 nan 8.310 nan 0.000 0.480 129 S N 2.227 118.000 115.700 0.122 0.000 2.368 129 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 129 S C 1.539 176.221 174.600 0.138 0.000 1.029 129 S CA 1.204 59.479 58.200 0.126 0.000 0.988 129 S CB -0.585 62.666 63.200 0.086 0.000 0.838 129 S HN 0.560 nan 8.310 nan 0.000 0.462 130 D N 1.380 121.851 120.400 0.119 0.000 2.123 130 D HA -0.085 4.555 4.640 -0.000 0.000 0.196 130 D C 1.847 178.259 176.300 0.187 0.000 0.992 130 D CA 0.661 54.736 54.000 0.124 0.000 0.833 130 D CB -0.391 40.457 40.800 0.079 0.000 0.954 130 D HN 0.216 nan 8.370 nan 0.000 0.455 131 L N 0.353 121.712 121.223 0.226 0.000 2.072 131 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 131 L C 2.127 179.332 176.870 0.559 0.000 1.079 131 L CA 0.977 56.030 54.840 0.354 0.000 0.752 131 L CB -0.478 41.774 42.059 0.323 0.000 0.906 131 L HN -0.010 nan 8.230 nan 0.000 0.436 132 L N -0.419 121.102 121.223 0.497 0.000 2.083 132 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 132 L C 2.672 179.632 176.870 0.150 0.000 1.083 132 L CA 1.778 56.805 54.840 0.311 0.000 0.752 132 L CB -0.652 41.541 42.059 0.224 0.000 0.899 132 L HN 0.286 nan 8.230 nan 0.000 0.433 133 R N -1.452 119.153 120.500 0.175 0.000 2.073 133 R HA -0.195 4.145 4.340 -0.000 0.000 0.229 133 R C 2.364 178.757 176.300 0.154 0.000 1.120 133 R CA 1.624 57.801 56.100 0.129 0.000 0.967 133 R CB -0.526 29.847 30.300 0.122 0.000 0.862 133 R HN 0.459 nan 8.270 nan 0.000 0.436 134 F N 0.463 120.451 119.950 0.063 0.000 2.095 134 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 134 F C 1.383 177.217 175.800 0.057 0.000 1.104 134 F CA 1.546 59.543 58.000 -0.004 0.000 1.232 134 F CB -0.436 38.475 39.000 -0.149 0.000 0.987 134 F HN -0.001 nan 8.300 nan 0.000 0.475 135 Y N 0.351 120.668 120.300 0.028 0.000 2.286 135 Y HA -0.113 4.437 4.550 0.000 0.000 0.293 135 Y C 2.597 178.661 175.900 0.272 0.000 1.124 135 Y CA 1.249 59.396 58.100 0.079 0.000 1.178 135 Y CB -0.946 37.545 38.460 0.051 0.000 1.010 135 Y HN 0.076 nan 8.280 nan 0.000 0.536 136 Q N 0.182 120.105 119.800 0.205 0.000 2.181 136 Q HA -0.189 4.151 4.340 -0.000 0.000 0.205 136 Q C 1.204 177.313 176.000 0.183 0.000 0.980 136 Q CA 1.531 57.440 55.803 0.176 0.000 0.862 136 Q CB -0.526 28.225 28.738 0.021 0.000 0.905 136 Q HN 0.666 nan 8.270 nan 0.000 0.429 137 N N -1.101 117.669 118.700 0.117 0.000 2.325 137 N HA -0.027 4.713 4.740 -0.000 0.000 0.182 137 N C -0.149 175.373 175.510 0.020 0.000 1.088 137 N CA -0.422 52.657 53.050 0.049 0.000 0.879 137 N CB 0.220 38.727 38.487 0.032 0.000 0.983 137 N HN 0.159 nan 8.380 nan 0.000 0.471 138 W N 3.053 124.256 121.300 -0.162 0.000 2.251 138 W HA 0.088 4.748 4.660 -0.000 0.000 0.327 138 W C -0.592 175.818 176.519 -0.183 0.000 1.361 138 W CA -0.039 57.166 57.345 -0.234 0.000 1.234 138 W CB 0.535 29.817 29.460 -0.296 0.000 1.212 138 W HN -0.069 nan 8.180 nan 0.000 0.557 139 Q N 8.393 127.618 119.800 -0.958 0.000 2.322 139 Q HA 0.334 4.674 4.340 -0.000 0.000 0.265 139 Q C -2.093 173.003 176.000 -1.506 0.000 0.985 139 Q CA -2.134 53.052 55.803 -1.030 0.000 0.849 139 Q CB 1.373 29.788 28.738 -0.537 0.000 1.274 139 Q HN 0.382 nan 8.270 nan 0.000 0.449 140 P HA 0.090 nan 4.420 nan 0.000 0.271 140 P C -0.105 176.793 177.300 -0.670 0.000 1.216 140 P CA 0.059 62.496 63.100 -1.106 0.000 0.776 140 P CB 0.940 32.173 31.700 -0.778 0.000 0.881 141 A N 3.267 125.701 122.820 -0.643 0.000 1.929 141 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 141 A C 0.503 177.419 177.584 -1.114 0.000 1.176 141 A CA 0.874 52.286 52.037 -1.041 0.000 0.628 141 A CB -0.346 17.599 19.000 -1.758 0.000 0.816 141 A HN 0.593 nan 8.150 nan 0.000 0.444 142 W N -2.728 118.520 121.300 -0.088 0.000 3.029 142 W HA 0.657 5.317 4.660 -0.000 0.000 0.339 142 W C 0.110 176.568 176.519 -0.101 0.000 1.198 142 W CA -1.256 56.041 57.345 -0.080 0.000 1.148 142 W CB 0.968 30.395 29.460 -0.056 0.000 1.451 142 W HN 0.203 nan 8.180 nan 0.000 0.564 143 A N 2.525 125.424 122.820 0.132 0.000 2.448 143 A HA 0.422 4.742 4.320 -0.000 0.000 0.239 143 A C -2.188 175.400 177.584 0.006 0.000 1.080 143 A CA -0.636 51.423 52.037 0.036 0.000 0.779 143 A CB -0.885 18.136 19.000 0.036 0.000 1.026 143 A HN 0.163 nan 8.150 nan 0.000 0.499 144 P HA 0.267 nan 4.420 nan 0.000 0.269 144 P C 0.826 177.971 177.300 -0.259 0.000 1.209 144 P CA 1.622 64.534 63.100 -0.314 0.000 0.776 144 P CB 0.451 31.930 31.700 -0.367 0.000 0.876 145 G N 1.642 110.217 108.800 -0.374 0.000 2.225 145 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 145 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 145 G C 0.685 175.523 174.900 -0.103 0.000 1.024 145 G CA 0.832 45.895 45.100 -0.062 0.000 0.784 145 G HN 0.695 nan 8.290 nan 0.000 0.507 146 T N -5.147 109.304 114.554 -0.172 0.000 3.019 146 T HA 0.418 4.768 4.350 -0.000 0.000 0.247 146 T C 0.578 175.123 174.700 -0.259 0.000 0.992 146 T CA 0.822 62.844 62.100 -0.130 0.000 1.036 146 T CB 0.600 69.441 68.868 -0.045 0.000 1.063 146 T HN 0.276 nan 8.240 nan 0.000 0.476 147 Q N 1.003 120.601 119.800 -0.337 0.000 2.347 147 Q HA 0.467 4.806 4.340 -0.000 0.000 0.271 147 Q C -1.334 174.457 176.000 -0.348 0.000 1.064 147 Q CA -0.499 55.022 55.803 -0.470 0.000 0.800 147 Q CB 3.110 31.270 28.738 -0.964 0.000 1.304 147 Q HN 0.386 nan 8.270 nan 0.000 0.438 148 R N 2.335 122.658 120.500 -0.295 0.000 2.221 148 R HA 0.474 4.814 4.340 -0.000 0.000 0.327 148 R C -1.115 175.123 176.300 -0.104 0.000 1.033 148 R CA -0.484 55.524 56.100 -0.154 0.000 0.887 148 R CB 0.380 30.621 30.300 -0.098 0.000 1.057 148 R HN 0.456 nan 8.270 nan 0.000 0.455 149 L N 4.459 125.682 121.223 0.000 0.000 2.427 149 L HA 0.285 4.625 4.340 -0.000 0.000 0.264 149 L C -0.711 176.117 176.870 -0.070 0.000 0.989 149 L CA -0.184 54.662 54.840 0.009 0.000 0.865 149 L CB 1.651 43.804 42.059 0.157 0.000 1.209 149 L HN 0.668 nan 8.230 nan 0.000 0.430 150 E N 3.750 123.770 120.200 -0.300 0.000 2.820 150 E HA 0.287 4.637 4.350 -0.000 0.000 0.251 150 E C -0.395 175.985 176.600 -0.366 0.000 0.944 150 E CA 0.762 56.720 56.400 -0.737 0.000 0.955 150 E CB 0.469 29.836 29.700 -0.554 0.000 0.904 150 E HN 0.661 nan 8.360 nan 0.000 0.513 151 A N 4.095 126.727 122.820 -0.314 0.000 2.485 151 A HA 0.218 4.538 4.320 -0.000 0.000 0.285 151 A C 0.186 177.867 177.584 0.162 0.000 1.045 151 A CA -0.818 51.237 52.037 0.030 0.000 0.792 151 A CB 0.973 20.052 19.000 0.131 0.000 1.307 151 A HN 0.525 nan 8.150 nan 0.000 0.406 152 N N 1.338 120.123 118.700 0.142 0.000 2.104 152 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 152 N C 2.082 177.717 175.510 0.209 0.000 1.024 152 N CA 2.156 55.327 53.050 0.201 0.000 0.853 152 N CB -0.186 38.433 38.487 0.220 0.000 1.008 152 N HN 0.846 nan 8.380 nan 0.000 0.424 153 S N -1.077 114.747 115.700 0.207 0.000 2.474 153 S HA 0.011 4.481 4.470 -0.000 0.000 0.235 153 S C 2.020 176.824 174.600 0.340 0.000 0.997 153 S CA 1.066 59.441 58.200 0.293 0.000 0.949 153 S CB -0.153 63.230 63.200 0.305 0.000 0.766 153 S HN 0.229 nan 8.310 nan 0.000 0.517 154 S N 1.309 117.173 115.700 0.273 0.000 2.315 154 S HA 0.215 4.685 4.470 -0.000 0.000 0.211 154 S C 1.660 176.393 174.600 0.220 0.000 1.029 154 S CA 0.593 58.942 58.200 0.249 0.000 0.956 154 S CB -0.564 62.806 63.200 0.284 0.000 0.918 154 S HN 0.558 nan 8.310 nan 0.000 0.470 155 I N 1.215 121.929 120.570 0.240 0.000 2.493 155 I HA -0.009 4.161 4.170 -0.000 0.000 0.254 155 I C 2.062 178.289 176.117 0.184 0.000 1.160 155 I CA 1.219 62.634 61.300 0.191 0.000 1.445 155 I CB -0.476 37.631 38.000 0.178 0.000 1.086 155 I HN 0.464 nan 8.210 nan 0.000 0.433 156 G N 0.641 109.519 108.800 0.129 0.000 2.402 156 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 156 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 156 G C 1.524 176.394 174.900 -0.051 0.000 1.162 156 G CA 0.735 45.834 45.100 -0.001 0.000 0.777 156 G HN 0.373 nan 8.290 nan 0.000 0.539 157 L N -0.255 120.987 121.223 0.032 0.000 2.093 157 L HA 0.183 4.523 4.340 -0.000 0.000 0.208 157 L C 2.409 179.246 176.870 -0.055 0.000 1.085 157 L CA 1.340 56.132 54.840 -0.079 0.000 0.755 157 L CB -0.670 41.286 42.059 -0.171 0.000 0.904 157 L HN 0.217 nan 8.230 nan 0.000 0.435 158 F N 0.445 120.349 119.950 -0.077 0.000 2.091 158 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 158 F C 2.147 177.898 175.800 -0.080 0.000 1.103 158 F CA 1.891 59.849 58.000 -0.070 0.000 1.228 158 F CB -0.990 37.982 39.000 -0.046 0.000 0.984 158 F HN 0.117 nan 8.300 nan 0.000 0.477 159 G N -0.535 108.163 108.800 -0.170 0.000 2.408 159 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 159 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 159 G C 1.810 176.578 174.900 -0.219 0.000 1.150 159 G CA 0.747 45.732 45.100 -0.192 0.000 0.776 159 G HN 0.648 nan 8.290 nan 0.000 0.542 160 A N 0.533 123.156 122.820 -0.329 0.000 1.902 160 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 160 A C 2.384 179.799 177.584 -0.281 0.000 1.181 160 A CA 1.149 53.005 52.037 -0.302 0.000 0.623 160 A CB -0.324 18.459 19.000 -0.362 0.000 0.818 160 A HN 0.353 nan 8.150 nan 0.000 0.443 161 L N -1.159 119.874 121.223 -0.318 0.000 2.240 161 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 161 L C 2.974 179.599 176.870 -0.407 0.000 1.106 161 L CA 0.730 55.395 54.840 -0.292 0.000 0.793 161 L CB -0.497 41.446 42.059 -0.194 0.000 0.927 161 L HN 0.423 nan 8.230 nan 0.000 0.446 162 A N 0.375 122.873 122.820 -0.537 0.000 1.969 162 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 162 A C 2.210 179.576 177.584 -0.364 0.000 1.169 162 A CA 1.738 53.411 52.037 -0.605 0.000 0.635 162 A CB -0.663 17.823 19.000 -0.858 0.000 0.810 162 A HN 0.323 nan 8.150 nan 0.000 0.445 163 V N -3.382 116.384 119.914 -0.247 0.000 3.306 163 V HA -0.006 4.114 4.120 -0.000 0.000 0.264 163 V C 1.781 177.798 176.094 -0.129 0.000 1.149 163 V CA 1.301 63.502 62.300 -0.163 0.000 1.143 163 V CB -0.550 31.210 31.823 -0.104 0.000 0.767 163 V HN 0.274 nan 8.190 nan 0.000 0.476 164 K N 1.422 121.743 120.400 -0.132 0.000 2.032 164 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 164 K C 0.329 176.917 176.600 -0.020 0.000 1.048 164 K CA 2.120 58.367 56.287 -0.066 0.000 0.927 164 K CB -1.850 30.631 32.500 -0.030 0.000 0.712 164 K HN 0.494 nan 8.250 nan 0.000 0.441 165 P HA -0.099 nan 4.420 nan 0.000 0.220 165 P C 1.452 178.744 177.300 -0.013 0.000 1.148 165 P CA 1.357 64.471 63.100 0.024 0.000 0.803 165 P CB -0.078 31.654 31.700 0.054 0.000 0.782 166 S N -1.243 114.429 115.700 -0.047 0.000 2.423 166 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 166 S C 1.930 176.501 174.600 -0.049 0.000 1.014 166 S CA 1.133 59.300 58.200 -0.055 0.000 0.965 166 S CB -1.532 61.617 63.200 -0.084 0.000 0.785 166 S HN 0.296 nan 8.310 nan 0.000 0.495 167 G N 0.683 109.455 108.800 -0.047 0.000 2.184 167 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 167 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 167 G C 0.006 174.875 174.900 -0.052 0.000 0.975 167 G CA 0.515 45.589 45.100 -0.042 0.000 0.642 167 G HN 0.581 nan 8.290 nan 0.000 0.536 168 L N 1.609 122.790 121.223 -0.069 0.000 2.399 168 L HA 0.566 4.906 4.340 -0.000 0.000 0.266 168 L C 1.498 178.322 176.870 -0.076 0.000 1.114 168 L CA -0.199 54.594 54.840 -0.080 0.000 0.804 168 L CB 1.300 43.294 42.059 -0.109 0.000 1.146 168 L HN 0.401 nan 8.230 nan 0.000 0.451 169 S N 0.489 116.149 115.700 -0.067 0.000 2.584 169 S HA 0.034 4.504 4.470 -0.000 0.000 0.270 169 S C 0.941 175.513 174.600 -0.046 0.000 1.346 169 S CA -0.410 57.765 58.200 -0.042 0.000 1.018 169 S CB 0.451 63.633 63.200 -0.030 0.000 0.899 169 S HN 0.541 nan 8.310 nan 0.000 0.542 170 F N 1.930 121.789 119.950 -0.152 0.000 2.115 170 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 170 F C 2.086 177.773 175.800 -0.188 0.000 1.092 170 F CA 2.431 60.326 58.000 -0.175 0.000 1.245 170 F CB -0.512 38.385 39.000 -0.172 0.000 0.995 170 F HN 0.730 nan 8.300 nan 0.000 0.481 171 E N -0.396 119.760 120.200 -0.073 0.000 2.072 171 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 171 E C 2.199 178.652 176.600 -0.246 0.000 0.985 171 E CA 1.243 57.562 56.400 -0.134 0.000 0.801 171 E CB -0.340 29.358 29.700 -0.003 0.000 0.750 171 E HN 0.367 nan 8.360 nan 0.000 0.452 172 Q N -0.392 119.295 119.800 -0.188 0.000 2.187 172 Q HA 0.108 4.448 4.340 -0.000 0.000 0.199 172 Q C 2.095 177.940 176.000 -0.257 0.000 0.957 172 Q CA 1.185 56.878 55.803 -0.182 0.000 0.857 172 Q CB -0.171 28.498 28.738 -0.115 0.000 0.929 172 Q HN 0.288 nan 8.270 nan 0.000 0.453 173 A N 0.478 123.112 122.820 -0.311 0.000 1.898 173 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 173 A C 2.110 179.404 177.584 -0.483 0.000 1.181 173 A CA 1.725 53.551 52.037 -0.352 0.000 0.620 173 A CB -0.391 18.398 19.000 -0.353 0.000 0.819 173 A HN 0.322 nan 8.150 nan 0.000 0.442 174 M N -0.453 118.721 119.600 -0.710 0.000 2.099 174 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 174 M C 2.203 177.899 176.300 -1.007 0.000 1.067 174 M CA 2.183 56.920 55.300 -0.938 0.000 1.124 174 M CB -0.649 31.234 32.600 -1.195 0.000 1.353 174 M HN 0.561 nan 8.290 nan 0.000 0.410 175 Q N -1.009 118.323 119.800 -0.780 0.000 2.061 175 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 175 Q C 1.691 177.502 176.000 -0.315 0.000 0.984 175 Q CA 2.666 58.166 55.803 -0.505 0.000 0.846 175 Q CB -0.196 28.370 28.738 -0.286 0.000 0.902 175 Q HN 0.753 nan 8.270 nan 0.000 0.421 176 T N -2.763 111.630 114.554 -0.268 0.000 3.014 176 T HA 0.058 4.408 4.350 -0.000 0.000 0.263 176 T C 1.578 176.186 174.700 -0.152 0.000 1.078 176 T CA 0.514 62.511 62.100 -0.173 0.000 1.135 176 T CB 0.016 68.799 68.868 -0.141 0.000 0.895 176 T HN 0.231 nan 8.240 nan 0.000 0.480 177 R N -0.057 120.325 120.500 -0.197 0.000 2.282 177 R HA 0.403 4.743 4.340 -0.000 0.000 0.195 177 R C 1.431 177.671 176.300 -0.100 0.000 0.909 177 R CA 0.213 56.228 56.100 -0.141 0.000 1.039 177 R CB 0.474 30.681 30.300 -0.154 0.000 1.015 177 R HN 0.288 nan 8.270 nan 0.000 0.513 178 V N -1.036 118.788 119.914 -0.150 0.000 3.278 178 V HA 0.035 4.155 4.120 -0.000 0.000 0.215 178 V C 1.338 177.501 176.094 0.115 0.000 1.287 178 V CA 0.360 62.655 62.300 -0.008 0.000 1.302 178 V CB -0.358 31.451 31.823 -0.025 0.000 1.228 178 V HN -0.043 nan 8.190 nan 0.000 0.523 179 F N 1.515 121.390 119.950 -0.125 0.000 2.095 179 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 179 F C 2.570 178.284 175.800 -0.144 0.000 1.104 179 F CA 1.520 59.410 58.000 -0.183 0.000 1.232 179 F CB -1.132 37.649 39.000 -0.365 0.000 0.987 179 F HN 0.219 nan 8.300 nan 0.000 0.475 180 Q N -0.423 119.397 119.800 0.034 0.000 2.062 180 Q HA -0.089 4.251 4.340 -0.000 0.000 0.196 180 Q C -0.345 175.655 176.000 -0.000 0.000 0.967 180 Q CA 1.244 57.035 55.803 -0.020 0.000 0.832 180 Q CB -1.323 27.378 28.738 -0.062 0.000 0.899 180 Q HN 0.259 nan 8.270 nan 0.000 0.442 181 P HA -0.147 nan 4.420 nan 0.000 0.218 181 P C 0.613 177.941 177.300 0.046 0.000 1.148 181 P CA 1.203 64.315 63.100 0.020 0.000 0.822 181 P CB 0.055 31.767 31.700 0.020 0.000 0.784 182 L N -1.449 119.828 121.223 0.089 0.000 2.592 182 L HA 0.162 4.502 4.340 -0.000 0.000 0.227 182 L C 0.394 177.315 176.870 0.085 0.000 1.127 182 L CA 0.089 54.998 54.840 0.115 0.000 0.884 182 L CB -0.653 41.542 42.059 0.226 0.000 1.065 182 L HN -0.051 nan 8.230 nan 0.000 0.457 183 K N 0.770 121.196 120.400 0.043 0.000 3.117 183 K HA -0.160 4.160 4.320 -0.000 0.000 0.269 183 K C -0.247 176.351 176.600 -0.003 0.000 1.098 183 K CA 0.372 56.665 56.287 0.010 0.000 0.785 183 K CB -1.757 30.752 32.500 0.015 0.000 1.242 183 K HN 0.324 nan 8.250 nan 0.000 0.491 184 L N 1.298 122.504 121.223 -0.028 0.000 2.422 184 L HA 0.134 4.474 4.340 -0.000 0.000 0.256 184 L C 0.980 177.691 176.870 -0.265 0.000 1.202 184 L CA -0.495 54.275 54.840 -0.117 0.000 1.119 184 L CB 0.072 42.036 42.059 -0.159 0.000 1.383 184 L HN 0.154 nan 8.230 nan 0.000 0.411 185 N N -0.009 118.563 118.700 -0.214 0.000 2.467 185 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 185 N C 0.703 175.820 175.510 -0.655 0.000 1.106 185 N CA 0.736 53.558 53.050 -0.380 0.000 0.892 185 N CB 0.222 38.529 38.487 -0.301 0.000 0.969 185 N HN 0.495 nan 8.380 nan 0.000 0.454 186 H N -0.833 118.129 119.070 -0.179 0.000 2.587 186 H HA 0.289 4.845 4.556 -0.000 0.000 0.245 186 H C -0.364 174.823 175.328 -0.236 0.000 1.238 186 H CA -0.075 55.922 56.048 -0.085 0.000 0.963 186 H CB 0.262 30.017 29.762 -0.011 0.000 1.904 186 H HN -0.144 nan 8.280 nan 0.000 0.584 187 T N 1.013 115.200 114.554 -0.611 0.000 2.809 187 T HA 0.307 4.657 4.350 -0.000 0.000 0.284 187 T C -0.737 173.202 174.700 -1.268 0.000 0.992 187 T CA -0.463 61.092 62.100 -0.908 0.000 0.957 187 T CB 1.313 69.423 68.868 -1.264 0.000 0.942 187 T HN 0.260 nan 8.240 nan 0.000 0.439 188 W N 1.954 122.918 121.300 -0.559 0.000 3.032 188 W HA 0.557 5.217 4.660 0.000 0.000 0.335 188 W C 0.650 177.035 176.519 -0.224 0.000 1.154 188 W CA -0.832 56.336 57.345 -0.295 0.000 1.204 188 W CB 1.151 30.445 29.460 -0.275 0.000 1.416 188 W HN 0.504 nan 8.180 nan 0.000 0.521 189 I N 1.310 122.000 120.570 0.199 0.000 2.339 189 I HA -0.044 4.126 4.170 -0.000 0.000 0.245 189 I C 0.060 176.203 176.117 0.043 0.000 1.096 189 I CA 0.810 62.164 61.300 0.091 0.000 1.408 189 I CB -0.096 37.974 38.000 0.115 0.000 1.092 189 I HN 0.329 nan 8.210 nan 0.000 0.423 190 N N 0.263 119.024 118.700 0.101 0.000 2.476 190 N HA 0.295 5.035 4.740 -0.000 0.000 0.257 190 N C -0.938 174.478 175.510 -0.156 0.000 0.970 190 N CA -0.321 52.715 53.050 -0.024 0.000 0.938 190 N CB 2.161 40.639 38.487 -0.015 0.000 1.144 190 N HN -0.187 nan 8.380 nan 0.000 0.500 191 V N 4.424 124.149 119.914 -0.315 0.000 2.446 191 V HA 0.162 4.282 4.120 -0.000 0.000 0.276 191 V C -1.468 174.280 176.094 -0.578 0.000 1.030 191 V CA -0.969 60.992 62.300 -0.564 0.000 1.033 191 V CB -0.027 31.429 31.823 -0.612 0.000 0.993 191 V HN 0.621 nan 8.190 nan 0.000 0.477 192 P HA 0.280 nan 4.420 nan 0.000 0.276 192 P C -2.296 174.774 177.300 -0.384 0.000 1.252 192 P CA -1.879 60.843 63.100 -0.631 0.000 0.802 192 P CB 0.444 31.626 31.700 -0.864 0.000 1.035 193 P HA -0.194 nan 4.420 nan 0.000 0.217 193 P C 1.390 178.611 177.300 -0.132 0.000 1.151 193 P CA 2.173 65.183 63.100 -0.150 0.000 0.849 193 P CB -0.427 31.208 31.700 -0.108 0.000 0.787 194 A N -0.408 122.320 122.820 -0.153 0.000 2.066 194 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 194 A C 2.011 179.543 177.584 -0.087 0.000 1.157 194 A CA 1.234 53.211 52.037 -0.099 0.000 0.670 194 A CB -0.682 18.269 19.000 -0.082 0.000 0.804 194 A HN 0.093 nan 8.150 nan 0.000 0.453 195 E N -0.097 120.008 120.200 -0.159 0.000 2.442 195 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 195 E C 1.396 177.944 176.600 -0.086 0.000 1.030 195 E CA 0.245 56.572 56.400 -0.122 0.000 0.869 195 E CB -0.103 29.470 29.700 -0.213 0.000 0.857 195 E HN 0.739 nan 8.360 nan 0.000 0.505 196 E N 1.340 121.492 120.200 -0.081 0.000 2.130 196 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 196 E C 2.057 178.661 176.600 0.006 0.000 0.998 196 E CA 1.400 57.790 56.400 -0.018 0.000 0.806 196 E CB -0.124 29.563 29.700 -0.022 0.000 0.738 196 E HN 0.262 nan 8.360 nan 0.000 0.459 197 K N 0.528 120.930 120.400 0.003 0.000 2.211 197 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 197 K C 1.135 177.749 176.600 0.024 0.000 1.050 197 K CA 1.723 58.022 56.287 0.019 0.000 0.945 197 K CB -0.175 32.336 32.500 0.017 0.000 0.732 197 K HN 0.063 nan 8.250 nan 0.000 0.451 198 N N -0.384 118.327 118.700 0.019 0.000 2.412 198 N HA -0.037 4.703 4.740 -0.000 0.000 0.184 198 N C -0.586 174.949 175.510 0.042 0.000 1.101 198 N CA -0.230 52.832 53.050 0.021 0.000 0.881 198 N CB 0.144 38.636 38.487 0.008 0.000 0.969 198 N HN 0.223 nan 8.380 nan 0.000 0.459 199 Y N 2.251 122.467 120.300 -0.141 0.000 2.539 199 Y HA 0.328 4.878 4.550 -0.000 0.000 0.352 199 Y C 0.250 176.042 175.900 -0.180 0.000 1.004 199 Y CA -1.498 56.479 58.100 -0.205 0.000 1.278 199 Y CB 0.186 38.462 38.460 -0.306 0.000 1.136 199 Y HN -0.018 nan 8.280 nan 0.000 0.528 200 A N 6.213 129.066 122.820 0.054 0.000 2.561 200 A HA -0.094 4.226 4.320 -0.000 0.000 0.234 200 A C -0.856 176.750 177.584 0.037 0.000 1.055 200 A CA -0.087 51.966 52.037 0.026 0.000 0.756 200 A CB 0.143 19.109 19.000 -0.056 0.000 0.986 200 A HN 0.934 nan 8.150 nan 0.000 0.505 201 W N 1.254 122.572 121.300 0.031 0.000 2.216 201 W HA 0.442 5.102 4.660 0.000 0.000 0.326 201 W C 1.066 177.334 176.519 -0.419 0.000 1.319 201 W CA 0.573 57.754 57.345 -0.274 0.000 1.213 201 W CB 0.781 29.928 29.460 -0.522 0.000 1.171 201 W HN 0.958 nan 8.180 nan 0.000 0.557 202 G N 1.820 110.480 108.800 -0.233 0.000 2.539 202 G HA2 0.388 4.348 3.960 -0.000 0.000 0.258 202 G HA3 0.388 4.348 3.960 -0.000 0.000 0.258 202 G C -1.952 172.532 174.900 -0.693 0.000 1.202 202 G CA -0.420 44.256 45.100 -0.707 0.000 0.851 202 G HN 0.460 nan 8.290 nan 0.000 0.556 203 Y N -0.278 119.939 120.300 -0.138 0.000 2.373 203 Y HA 0.567 5.117 4.550 -0.000 0.000 0.336 203 Y C 0.424 176.313 175.900 -0.020 0.000 0.979 203 Y CA -0.837 57.231 58.100 -0.054 0.000 1.080 203 Y CB 2.395 40.830 38.460 -0.041 0.000 1.190 203 Y HN 0.497 nan 8.280 nan 0.000 0.446 204 R N 3.045 123.598 120.500 0.089 0.000 2.539 204 R HA 0.222 4.562 4.340 -0.000 0.000 0.295 204 R C -1.001 175.334 176.300 0.059 0.000 1.138 204 R CA -0.390 55.751 56.100 0.068 0.000 0.936 204 R CB 0.740 31.069 30.300 0.047 0.000 1.182 204 R HN 0.778 nan 8.270 nan 0.000 0.459 205 E N 2.556 122.792 120.200 0.061 0.000 2.252 205 E HA -0.228 4.122 4.350 -0.000 0.000 0.218 205 E C 0.568 177.196 176.600 0.046 0.000 1.253 205 E CA 1.391 57.818 56.400 0.044 0.000 0.705 205 E CB -1.356 28.361 29.700 0.028 0.000 1.172 205 E HN 1.172 nan 8.360 nan 0.000 0.369 206 G N 0.199 109.044 108.800 0.074 0.000 2.196 206 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.268 206 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.268 206 G C 0.288 175.265 174.900 0.127 0.000 0.975 206 G CA 1.185 46.335 45.100 0.083 0.000 0.648 206 G HN 0.476 nan 8.290 nan 0.000 0.538 207 K N 0.517 120.974 120.400 0.094 0.000 2.235 207 K HA 0.746 5.066 4.320 -0.000 0.000 0.266 207 K C 0.550 177.075 176.600 -0.126 0.000 0.980 207 K CA -0.188 56.091 56.287 -0.012 0.000 0.849 207 K CB 1.168 33.641 32.500 -0.045 0.000 1.098 207 K HN 0.643 nan 8.250 nan 0.000 0.445 208 A N 3.370 125.999 122.820 -0.319 0.000 2.524 208 A HA 0.389 4.709 4.320 -0.000 0.000 0.250 208 A C -0.661 176.645 177.584 -0.463 0.000 1.078 208 A CA -0.216 51.394 52.037 -0.710 0.000 0.761 208 A CB 0.119 18.457 19.000 -1.104 0.000 1.012 208 A HN 0.498 nan 8.150 nan 0.000 0.500 209 V N 4.047 123.853 119.914 -0.180 0.000 2.752 209 V HA 0.315 4.435 4.120 -0.000 0.000 0.302 209 V C -0.614 175.619 176.094 0.232 0.000 1.133 209 V CA -0.596 61.734 62.300 0.049 0.000 0.919 209 V CB 1.400 33.241 31.823 0.030 0.000 1.026 209 V HN 1.052 nan 8.190 nan 0.000 0.429 210 H N 1.247 120.486 119.070 0.282 0.000 2.533 210 H HA 0.611 5.167 4.556 -0.000 0.000 0.343 210 H C -0.198 175.235 175.328 0.175 0.000 1.160 210 H CA -1.092 55.054 56.048 0.165 0.000 1.218 210 H CB 2.360 32.091 29.762 -0.052 0.000 1.566 210 H HN 0.565 nan 8.280 nan 0.000 0.522 211 V N 3.207 123.314 119.914 0.323 0.000 2.644 211 V HA -0.069 4.051 4.120 -0.000 0.000 0.305 211 V C 0.137 176.353 176.094 0.204 0.000 1.053 211 V CA 0.179 62.621 62.300 0.237 0.000 1.186 211 V CB 0.180 32.144 31.823 0.235 0.000 0.895 211 V HN 0.882 nan 8.190 nan 0.000 0.490 212 S N 7.863 123.664 115.700 0.169 0.000 2.576 212 S HA 0.489 4.959 4.470 -0.000 0.000 0.276 212 S C -2.384 172.307 174.600 0.150 0.000 1.339 212 S CA -1.129 57.154 58.200 0.138 0.000 1.039 212 S CB 0.809 64.070 63.200 0.101 0.000 0.902 212 S HN 0.787 nan 8.310 nan 0.000 0.516 213 P HA 0.477 nan 4.420 nan 0.000 0.268 213 P C 0.064 177.418 177.300 0.090 0.000 1.204 213 P CA 0.001 63.152 63.100 0.084 0.000 0.768 213 P CB 0.469 32.198 31.700 0.049 0.000 0.842 214 G N 0.736 109.590 108.800 0.090 0.000 2.692 214 G HA2 0.558 4.518 3.960 -0.000 0.000 0.291 214 G HA3 0.558 4.518 3.960 -0.000 0.000 0.291 214 G C -1.167 173.741 174.900 0.013 0.000 1.423 214 G CA -0.661 44.489 45.100 0.082 0.000 0.843 214 G HN 0.528 nan 8.290 nan 0.000 0.486 215 A N 0.333 123.149 122.820 -0.006 0.000 2.580 215 A HA 0.410 4.730 4.320 -0.000 0.000 0.244 215 A C 1.376 178.923 177.584 -0.062 0.000 1.045 215 A CA 0.707 52.721 52.037 -0.039 0.000 0.761 215 A CB -0.630 18.339 19.000 -0.051 0.000 0.962 215 A HN 1.720 nan 8.150 nan 0.000 0.512 216 L N 0.814 121.966 121.223 -0.119 0.000 3.717 216 L HA -0.302 4.037 4.340 -0.000 0.000 0.414 216 L C 1.086 177.753 176.870 -0.338 0.000 1.228 216 L CA 0.643 55.364 54.840 -0.199 0.000 0.918 216 L CB -1.557 40.442 42.059 -0.100 0.000 1.865 216 L HN 1.023 nan 8.230 nan 0.000 0.922 217 D N -0.368 119.776 120.400 -0.427 0.000 2.183 217 D HA -0.068 4.572 4.640 -0.000 0.000 0.203 217 D C 1.916 177.802 176.300 -0.690 0.000 0.969 217 D CA 1.148 54.586 54.000 -0.936 0.000 0.842 217 D CB 0.019 40.452 40.800 -0.612 0.000 0.957 217 D HN 0.437 nan 8.370 nan 0.000 0.484 218 A N 0.679 123.259 122.820 -0.399 0.000 1.933 218 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 218 A C 2.017 179.419 177.584 -0.303 0.000 1.175 218 A CA 1.568 53.460 52.037 -0.242 0.000 0.628 218 A CB -0.511 18.424 19.000 -0.107 0.000 0.814 218 A HN 0.178 nan 8.150 nan 0.000 0.444 219 E N -0.755 119.085 120.200 -0.600 0.000 2.299 219 E HA 0.236 4.586 4.350 -0.000 0.000 0.193 219 E C 1.812 178.274 176.600 -0.229 0.000 0.998 219 E CA 0.984 56.937 56.400 -0.746 0.000 0.851 219 E CB -0.050 29.126 29.700 -0.872 0.000 0.795 219 E HN 0.585 nan 8.360 nan 0.000 0.492 220 A N -0.342 122.362 122.820 -0.193 0.000 1.999 220 A HA 0.119 4.439 4.320 -0.000 0.000 0.200 220 A C 0.854 178.517 177.584 0.132 0.000 1.363 220 A CA 0.332 52.382 52.037 0.021 0.000 0.844 220 A CB 0.058 19.128 19.000 0.115 0.000 0.954 220 A HN 0.354 nan 8.150 nan 0.000 0.481 221 Y N -3.260 117.059 120.300 0.032 0.000 2.863 221 Y HA 0.539 5.089 4.550 -0.000 0.000 0.254 221 Y C 0.871 176.785 175.900 0.024 0.000 1.124 221 Y CA -0.373 57.752 58.100 0.042 0.000 1.203 221 Y CB -0.290 38.197 38.460 0.044 0.000 1.269 221 Y HN 0.023 nan 8.280 nan 0.000 0.586 222 G N 0.693 109.441 108.800 -0.086 0.000 3.337 222 G HA2 0.365 4.325 3.960 -0.000 0.000 0.246 222 G HA3 0.365 4.325 3.960 -0.000 0.000 0.246 222 G C -0.419 174.450 174.900 -0.052 0.000 1.131 222 G CA 0.018 45.066 45.100 -0.087 0.000 0.773 222 G HN 0.121 nan 8.290 nan 0.000 0.544 223 V N 0.667 120.550 119.914 -0.051 0.000 2.439 223 V HA 0.427 4.547 4.120 -0.000 0.000 0.282 223 V C -0.417 175.569 176.094 -0.180 0.000 1.039 223 V CA -0.595 61.613 62.300 -0.154 0.000 0.913 223 V CB 1.512 33.164 31.823 -0.286 0.000 0.983 223 V HN 0.144 nan 8.190 nan 0.000 0.460 224 K N 2.704 122.954 120.400 -0.249 0.000 2.292 224 K HA 0.769 5.089 4.320 -0.000 0.000 0.257 224 K C -0.502 175.949 176.600 -0.249 0.000 0.940 224 K CA -0.114 56.013 56.287 -0.268 0.000 0.811 224 K CB 1.958 34.189 32.500 -0.448 0.000 1.120 224 K HN 0.686 nan 8.250 nan 0.000 0.428 225 S N 0.533 116.157 115.700 -0.127 0.000 2.638 225 S HA 0.602 5.072 4.470 -0.000 0.000 0.274 225 S C -0.983 173.672 174.600 0.092 0.000 1.157 225 S CA -0.720 57.424 58.200 -0.094 0.000 0.826 225 S CB 1.016 64.123 63.200 -0.155 0.000 1.139 225 S HN 0.674 nan 8.310 nan 0.000 0.474 226 T N 0.211 114.821 114.554 0.093 0.000 2.912 226 T HA 0.510 4.860 4.350 -0.000 0.000 0.280 226 T C 1.232 176.039 174.700 0.179 0.000 0.989 226 T CA -0.508 61.694 62.100 0.170 0.000 0.995 226 T CB 0.688 69.598 68.868 0.070 0.000 1.077 226 T HN 0.428 nan 8.240 nan 0.000 0.531 227 I N 0.592 121.279 120.570 0.195 0.000 2.439 227 I HA -0.001 4.169 4.170 -0.000 0.000 0.251 227 I C 2.368 178.615 176.117 0.216 0.000 1.139 227 I CA 1.353 62.778 61.300 0.208 0.000 1.438 227 I CB -0.593 37.552 38.000 0.241 0.000 1.085 227 I HN 0.815 nan 8.210 nan 0.000 0.427 228 E N 0.085 120.303 120.200 0.030 0.000 2.047 228 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 228 E C 1.701 178.389 176.600 0.147 0.000 0.987 228 E CA 1.474 57.895 56.400 0.034 0.000 0.799 228 E CB -0.171 29.442 29.700 -0.144 0.000 0.752 228 E HN 0.466 nan 8.360 nan 0.000 0.449 229 D N 0.218 120.683 120.400 0.108 0.000 2.144 229 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 229 D C 1.795 178.214 176.300 0.199 0.000 0.984 229 D CA 1.007 55.076 54.000 0.114 0.000 0.834 229 D CB -0.035 40.775 40.800 0.017 0.000 0.955 229 D HN 0.103 nan 8.370 nan 0.000 0.465 230 M N 0.134 119.868 119.600 0.224 0.000 2.319 230 M HA 0.068 4.548 4.480 -0.000 0.000 0.265 230 M C 2.180 178.662 176.300 0.303 0.000 1.068 230 M CA 0.504 55.993 55.300 0.314 0.000 1.118 230 M CB -0.905 31.862 32.600 0.279 0.000 1.395 230 M HN -0.024 nan 8.290 nan 0.000 0.435 231 A N 0.047 123.025 122.820 0.264 0.000 1.902 231 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 231 A C 2.394 180.052 177.584 0.124 0.000 1.181 231 A CA 1.641 53.792 52.037 0.190 0.000 0.623 231 A CB -0.643 18.504 19.000 0.244 0.000 0.818 231 A HN 0.432 nan 8.150 nan 0.000 0.443 232 R N -1.470 119.129 120.500 0.165 0.000 2.115 232 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 232 R C 2.109 178.513 176.300 0.174 0.000 1.111 232 R CA 1.284 57.462 56.100 0.131 0.000 0.976 232 R CB -0.303 30.083 30.300 0.143 0.000 0.870 232 R HN 0.850 nan 8.270 nan 0.000 0.445 233 W N 0.397 121.717 121.300 0.033 0.000 2.388 233 W HA -0.158 4.502 4.660 0.000 0.000 0.294 233 W C 1.274 177.729 176.519 -0.106 0.000 1.212 233 W CA 1.024 58.376 57.345 0.011 0.000 1.271 233 W CB 0.072 29.585 29.460 0.088 0.000 1.126 233 W HN -0.067 nan 8.180 nan 0.000 0.535 234 V N 1.038 120.877 119.914 -0.125 0.000 2.358 234 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 234 V C 2.340 178.096 176.094 -0.562 0.000 1.047 234 V CA 2.357 64.378 62.300 -0.464 0.000 1.035 234 V CB -1.066 30.614 31.823 -0.238 0.000 0.658 234 V HN 0.135 nan 8.190 nan 0.000 0.452 235 Q N 0.426 120.044 119.800 -0.304 0.000 2.124 235 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 235 Q C 2.293 178.110 176.000 -0.305 0.000 0.977 235 Q CA 2.205 57.846 55.803 -0.269 0.000 0.850 235 Q CB -0.412 28.241 28.738 -0.141 0.000 0.901 235 Q HN 0.603 nan 8.270 nan 0.000 0.429 236 S N 0.330 115.855 115.700 -0.292 0.000 2.387 236 S HA -0.000 4.470 4.470 -0.000 0.000 0.226 236 S C 1.495 175.844 174.600 -0.418 0.000 1.026 236 S CA 0.951 58.992 58.200 -0.264 0.000 0.972 236 S CB -0.199 62.912 63.200 -0.149 0.000 0.814 236 S HN 0.487 nan 8.310 nan 0.000 0.477 237 N N 1.124 119.405 118.700 -0.697 0.000 2.376 237 N HA 0.143 4.883 4.740 -0.000 0.000 0.177 237 N C 1.559 176.581 175.510 -0.814 0.000 1.024 237 N CA 0.469 53.012 53.050 -0.846 0.000 0.893 237 N CB -0.096 37.653 38.487 -1.230 0.000 0.980 237 N HN 0.324 nan 8.380 nan 0.000 0.439 238 L N 0.416 121.137 121.223 -0.836 0.000 2.109 238 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 238 L C 0.942 177.641 176.870 -0.285 0.000 1.086 238 L CA 1.096 55.629 54.840 -0.512 0.000 0.760 238 L CB 0.123 41.919 42.059 -0.439 0.000 0.910 238 L HN -0.082 nan 8.230 nan 0.000 0.437 239 K N -0.684 119.555 120.400 -0.267 0.000 3.098 239 K HA 0.201 4.521 4.320 -0.000 0.000 0.170 239 K C -1.981 174.526 176.600 -0.155 0.000 1.106 239 K CA -1.037 55.144 56.287 -0.177 0.000 0.864 239 K CB 1.335 33.743 32.500 -0.152 0.000 1.047 239 K HN -0.110 nan 8.250 nan 0.000 0.609 240 P HA -0.121 nan 4.420 nan 0.000 0.225 240 P C 1.117 178.371 177.300 -0.076 0.000 1.148 240 P CA 0.478 63.509 63.100 -0.115 0.000 0.779 240 P CB 0.329 31.966 31.700 -0.104 0.000 0.780 241 L N 0.250 121.430 121.223 -0.071 0.000 2.376 241 L HA -0.044 4.296 4.340 -0.000 0.000 0.219 241 L C 1.508 178.348 176.870 -0.050 0.000 1.133 241 L CA 1.560 56.368 54.840 -0.054 0.000 0.816 241 L CB -1.774 40.255 42.059 -0.051 0.000 0.933 241 L HN -0.026 nan 8.230 nan 0.000 0.449 242 D N -0.134 120.230 120.400 -0.059 0.000 2.350 242 D HA -0.062 4.578 4.640 -0.000 0.000 0.216 242 D C 0.903 177.179 176.300 -0.040 0.000 0.968 242 D CA 0.518 54.487 54.000 -0.051 0.000 0.894 242 D CB 0.230 40.994 40.800 -0.060 0.000 0.909 242 D HN 0.110 nan 8.370 nan 0.000 0.520 243 I N 1.767 122.314 120.570 -0.038 0.000 2.396 243 I HA 0.018 4.188 4.170 -0.000 0.000 0.289 243 I C 1.229 177.335 176.117 -0.017 0.000 1.056 243 I CA -0.244 61.041 61.300 -0.023 0.000 1.365 243 I CB 0.826 38.814 38.000 -0.020 0.000 1.407 243 I HN -0.211 nan 8.210 nan 0.000 0.509 244 N N 3.992 122.685 118.700 -0.012 0.000 2.120 244 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 244 N C 0.666 176.170 175.510 -0.010 0.000 1.024 244 N CA 1.005 54.048 53.050 -0.012 0.000 0.852 244 N CB -0.022 38.459 38.487 -0.010 0.000 1.003 244 N HN 0.579 nan 8.380 nan 0.000 0.424 245 E N 1.367 121.564 120.200 -0.006 0.000 2.166 245 E HA -0.019 4.330 4.350 -0.000 0.000 0.279 245 E C 0.942 177.540 176.600 -0.004 0.000 1.095 245 E CA -0.269 56.128 56.400 -0.005 0.000 0.888 245 E CB 0.559 30.257 29.700 -0.003 0.000 1.041 245 E HN 0.310 nan 8.360 nan 0.000 0.414 246 K N 1.947 122.343 120.400 -0.006 0.000 2.044 246 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 246 K C 1.649 178.249 176.600 -0.000 0.000 1.049 246 K CA 2.143 58.427 56.287 -0.005 0.000 0.927 246 K CB -0.477 32.019 32.500 -0.006 0.000 0.713 246 K HN 0.470 nan 8.250 nan 0.000 0.443 247 T N -0.584 113.970 114.554 0.000 0.000 2.951 247 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 247 T C 1.872 176.580 174.700 0.015 0.000 1.073 247 T CA 0.731 62.834 62.100 0.006 0.000 1.134 247 T CB -0.191 68.676 68.868 -0.000 0.000 0.884 247 T HN 0.170 nan 8.240 nan 0.000 0.479 248 L N 1.406 122.638 121.223 0.015 0.000 2.023 248 L HA 0.056 4.396 4.340 -0.000 0.000 0.205 248 L C 2.868 179.754 176.870 0.027 0.000 1.073 248 L CA 1.995 56.853 54.840 0.031 0.000 0.745 248 L CB -1.128 40.953 42.059 0.037 0.000 0.900 248 L HN 0.411 nan 8.230 nan 0.000 0.435 249 Q N -0.638 119.167 119.800 0.009 0.000 2.082 249 Q HA -0.372 3.968 4.340 -0.000 0.000 0.211 249 Q C 2.309 178.309 176.000 -0.000 0.000 1.002 249 Q CA 2.778 58.577 55.803 -0.007 0.000 0.868 249 Q CB -0.418 28.311 28.738 -0.015 0.000 0.931 249 Q HN 0.724 nan 8.270 nan 0.000 0.414 250 Q N -0.925 118.880 119.800 0.009 0.000 2.124 250 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 250 Q C 1.953 177.977 176.000 0.041 0.000 0.977 250 Q CA 1.531 57.345 55.803 0.018 0.000 0.850 250 Q CB -0.375 28.373 28.738 0.018 0.000 0.901 250 Q HN 0.568 nan 8.270 nan 0.000 0.429 251 G N 0.534 109.365 108.800 0.052 0.000 2.422 251 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 251 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 251 G C 1.331 176.294 174.900 0.105 0.000 1.140 251 G CA 0.617 45.767 45.100 0.084 0.000 0.775 251 G HN 0.350 nan 8.290 nan 0.000 0.545 252 I N 0.096 120.708 120.570 0.070 0.000 2.286 252 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 252 I C 2.989 179.133 176.117 0.045 0.000 1.104 252 I CA 0.952 62.281 61.300 0.049 0.000 1.397 252 I CB -0.170 37.802 38.000 -0.047 0.000 1.072 252 I HN 0.195 nan 8.210 nan 0.000 0.417 253 Q N 0.458 120.272 119.800 0.022 0.000 2.084 253 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 253 Q C 2.332 178.364 176.000 0.053 0.000 0.978 253 Q CA 1.426 57.237 55.803 0.013 0.000 0.844 253 Q CB -0.149 28.585 28.738 -0.005 0.000 0.898 253 Q HN 0.512 nan 8.270 nan 0.000 0.426 254 L N -0.108 121.171 121.223 0.093 0.000 2.217 254 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 254 L C 2.342 179.363 176.870 0.251 0.000 1.107 254 L CA 0.655 55.588 54.840 0.154 0.000 0.783 254 L CB -0.408 41.750 42.059 0.166 0.000 0.919 254 L HN 0.192 nan 8.230 nan 0.000 0.442 255 A N -0.756 122.208 122.820 0.240 0.000 2.066 255 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 255 A C 2.059 179.860 177.584 0.362 0.000 1.157 255 A CA 1.016 53.245 52.037 0.321 0.000 0.670 255 A CB -0.200 19.017 19.000 0.361 0.000 0.804 255 A HN 0.468 nan 8.150 nan 0.000 0.453 256 Q N 0.008 119.941 119.800 0.222 0.000 2.319 256 Q HA 0.187 4.527 4.340 -0.000 0.000 0.202 256 Q C -0.050 175.980 176.000 0.050 0.000 0.896 256 Q CA -0.314 55.563 55.803 0.124 0.000 0.942 256 Q CB 0.391 29.128 28.738 -0.003 0.000 1.083 256 Q HN 0.497 nan 8.270 nan 0.000 0.510 257 S N 0.897 116.614 115.700 0.028 0.000 2.584 257 S HA 0.211 4.681 4.470 -0.000 0.000 0.270 257 S C 0.080 174.525 174.600 -0.259 0.000 1.346 257 S CA -0.095 57.981 58.200 -0.206 0.000 1.018 257 S CB 0.560 63.509 63.200 -0.418 0.000 0.899 257 S HN 0.227 nan 8.310 nan 0.000 0.542 258 R N 1.340 121.643 120.500 -0.328 0.000 2.239 258 R HA 0.262 4.602 4.340 -0.000 0.000 0.332 258 R C -0.393 175.747 176.300 -0.267 0.000 0.988 258 R CA -0.183 55.838 56.100 -0.131 0.000 0.859 258 R CB 0.491 30.715 30.300 -0.126 0.000 1.148 258 R HN 0.685 nan 8.270 nan 0.000 0.482 259 Y N 0.614 120.915 120.300 0.001 0.000 2.389 259 Y HA 0.125 4.675 4.550 0.000 0.000 0.292 259 Y C 0.217 175.822 175.900 -0.491 0.000 1.117 259 Y CA 0.427 58.367 58.100 -0.266 0.000 1.195 259 Y CB 0.496 38.800 38.460 -0.261 0.000 1.076 259 Y HN 0.449 nan 8.280 nan 0.000 0.548 260 W N 0.482 121.938 121.300 0.260 0.000 3.033 260 W HA 0.517 5.178 4.660 0.000 0.000 0.336 260 W C -1.151 175.460 176.519 0.153 0.000 1.173 260 W CA -1.090 56.363 57.345 0.180 0.000 1.185 260 W CB 1.035 30.584 29.460 0.150 0.000 1.425 260 W HN -0.341 nan 8.180 nan 0.000 0.536 261 Q N 0.428 120.415 119.800 0.310 0.000 2.356 261 Q HA 0.750 5.090 4.340 -0.000 0.000 0.270 261 Q C -0.792 175.219 176.000 0.019 0.000 1.058 261 Q CA -0.967 54.852 55.803 0.026 0.000 0.802 261 Q CB 2.316 30.960 28.738 -0.157 0.000 1.303 261 Q HN 0.382 nan 8.270 nan 0.000 0.444 262 T N -0.337 114.181 114.554 -0.059 0.000 2.906 262 T HA 0.639 4.989 4.350 -0.000 0.000 0.302 262 T C 0.718 175.361 174.700 -0.094 0.000 1.002 262 T CA 0.304 62.374 62.100 -0.051 0.000 0.988 262 T CB 1.038 69.892 68.868 -0.023 0.000 0.972 262 T HN 1.277 nan 8.240 nan 0.000 0.447 263 G N 5.004 113.750 108.800 -0.089 0.000 2.561 263 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.289 263 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.289 263 G C 0.418 175.237 174.900 -0.134 0.000 1.169 263 G CA 0.677 45.725 45.100 -0.087 0.000 0.980 263 G HN 1.168 nan 8.290 nan 0.000 0.550 264 D N 0.279 120.610 120.400 -0.114 0.000 2.325 264 D HA 0.296 4.936 4.640 -0.000 0.000 0.225 264 D C 1.092 177.298 176.300 -0.157 0.000 1.096 264 D CA 0.330 54.259 54.000 -0.120 0.000 0.844 264 D CB 0.104 40.875 40.800 -0.049 0.000 0.925 264 D HN 0.466 nan 8.370 nan 0.000 0.513 265 M N 0.619 120.095 119.600 -0.206 0.000 2.537 265 M HA 0.413 4.893 4.480 -0.000 0.000 0.324 265 M C -1.650 174.468 176.300 -0.304 0.000 1.187 265 M CA -0.646 54.604 55.300 -0.083 0.000 0.993 265 M CB 1.753 34.387 32.600 0.057 0.000 1.666 265 M HN -0.127 nan 8.290 nan 0.000 0.461 266 Y N 1.312 121.723 120.300 0.184 0.000 2.373 266 Y HA 0.340 4.890 4.550 -0.000 0.000 0.336 266 Y C -0.416 175.633 175.900 0.249 0.000 0.979 266 Y CA -0.849 57.367 58.100 0.194 0.000 1.080 266 Y CB 1.669 40.213 38.460 0.139 0.000 1.190 266 Y HN 0.535 nan 8.280 nan 0.000 0.446 267 Q N 2.167 122.227 119.800 0.433 0.000 2.296 267 Q HA 0.568 4.908 4.340 -0.000 0.000 0.257 267 Q C 0.033 176.306 176.000 0.456 0.000 0.942 267 Q CA -0.179 55.874 55.803 0.416 0.000 0.939 267 Q CB 1.170 30.165 28.738 0.428 0.000 1.198 267 Q HN 0.893 nan 8.270 nan 0.000 0.429 268 G N 2.772 111.812 108.800 0.400 0.000 2.641 268 G HA2 0.477 4.437 3.960 -0.000 0.000 0.239 268 G HA3 0.477 4.437 3.960 -0.000 0.000 0.239 268 G C -0.880 174.165 174.900 0.243 0.000 1.402 268 G CA -0.830 44.530 45.100 0.434 0.000 1.046 268 G HN 0.608 nan 8.290 nan 0.000 0.565 269 L N 1.110 122.449 121.223 0.194 0.000 2.288 269 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 269 L C 1.387 178.280 176.870 0.037 0.000 1.072 269 L CA 0.368 55.199 54.840 -0.015 0.000 0.862 269 L CB 0.365 42.404 42.059 -0.033 0.000 1.245 269 L HN 1.031 nan 8.230 nan 0.000 0.432 270 G N 1.867 110.650 108.800 -0.028 0.000 3.329 270 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 270 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 270 G C -0.002 174.881 174.900 -0.029 0.000 1.358 270 G CA -0.211 44.856 45.100 -0.055 0.000 0.856 270 G HN 0.517 nan 8.290 nan 0.000 0.551 271 W N 2.522 123.918 121.300 0.159 0.000 2.158 271 W HA 0.563 5.223 4.660 -0.000 0.000 0.339 271 W C 0.798 177.424 176.519 0.177 0.000 1.294 271 W CA -0.222 57.212 57.345 0.148 0.000 1.231 271 W CB 0.403 29.934 29.460 0.117 0.000 1.143 271 W HN 0.320 nan 8.180 nan 0.000 0.571 272 E N 1.859 122.359 120.200 0.501 0.000 2.227 272 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 272 E C -0.863 176.024 176.600 0.478 0.000 0.907 272 E CA -1.184 55.484 56.400 0.446 0.000 0.786 272 E CB 1.681 31.615 29.700 0.391 0.000 1.191 272 E HN 0.181 nan 8.360 nan 0.000 0.411 273 M N 2.047 121.896 119.600 0.416 0.000 2.446 273 M HA 0.418 4.898 4.480 -0.000 0.000 0.294 273 M C -1.556 174.991 176.300 0.410 0.000 1.158 273 M CA -0.331 55.166 55.300 0.329 0.000 0.899 273 M CB 1.713 34.435 32.600 0.202 0.000 1.687 273 M HN 0.296 nan 8.290 nan 0.000 0.455 274 L N 0.843 122.279 121.223 0.355 0.000 2.354 274 L HA 0.574 4.914 4.340 -0.000 0.000 0.264 274 L C -0.489 176.560 176.870 0.298 0.000 1.008 274 L CA -0.726 54.324 54.840 0.349 0.000 0.819 274 L CB 1.560 43.748 42.059 0.215 0.000 1.339 274 L HN 0.548 nan 8.230 nan 0.000 0.420 275 D N 0.934 121.494 120.400 0.266 0.000 2.488 275 D HA -0.079 4.561 4.640 -0.000 0.000 0.238 275 D C -0.839 175.595 176.300 0.222 0.000 1.138 275 D CA 0.349 54.464 54.000 0.191 0.000 0.873 275 D CB 0.980 41.860 40.800 0.133 0.000 1.183 275 D HN 0.374 nan 8.370 nan 0.000 0.458 276 W N 3.805 125.163 121.300 0.096 0.000 2.390 276 W HA 0.275 4.935 4.660 -0.000 0.000 0.312 276 W C -2.350 174.217 176.519 0.081 0.000 1.123 276 W CA -1.875 55.542 57.345 0.120 0.000 1.202 276 W CB 0.990 30.531 29.460 0.134 0.000 1.251 276 W HN 0.202 nan 8.180 nan 0.000 0.511 277 P HA 0.084 nan 4.420 nan 0.000 0.271 277 P C -0.766 176.194 177.300 -0.567 0.000 1.216 277 P CA -0.244 62.115 63.100 -1.235 0.000 0.776 277 P CB 1.389 32.581 31.700 -0.847 0.000 0.881 278 V N 3.024 122.616 119.914 -0.537 0.000 2.617 278 V HA 0.226 4.346 4.120 -0.000 0.000 0.298 278 V C 0.215 176.089 176.094 -0.366 0.000 1.048 278 V CA -0.891 61.236 62.300 -0.288 0.000 0.964 278 V CB 1.333 33.032 31.823 -0.207 0.000 1.004 278 V HN 0.559 nan 8.190 nan 0.000 0.466 279 N N 7.519 126.027 118.700 -0.320 0.000 2.438 279 N HA 0.154 4.894 4.740 -0.000 0.000 0.267 279 N C -1.588 173.599 175.510 -0.538 0.000 1.222 279 N CA -1.251 51.581 53.050 -0.363 0.000 0.930 279 N CB 1.680 40.018 38.487 -0.248 0.000 1.083 279 N HN 0.446 nan 8.380 nan 0.000 0.476 280 P HA -0.078 nan 4.420 nan 0.000 0.217 280 P C 0.451 177.391 177.300 -0.600 0.000 1.151 280 P CA 0.938 63.388 63.100 -1.085 0.000 0.828 280 P CB 0.474 31.093 31.700 -1.801 0.000 0.788 281 D N -0.315 119.825 120.400 -0.433 0.000 2.182 281 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 281 D C 2.170 178.342 176.300 -0.212 0.000 0.986 281 D CA 1.153 54.993 54.000 -0.266 0.000 0.847 281 D CB -0.665 40.014 40.800 -0.202 0.000 0.942 281 D HN 0.150 nan 8.370 nan 0.000 0.467 282 S N 0.338 115.901 115.700 -0.228 0.000 2.355 282 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 282 S C 2.137 176.654 174.600 -0.138 0.000 1.031 282 S CA 0.998 59.099 58.200 -0.165 0.000 0.993 282 S CB -0.223 62.883 63.200 -0.156 0.000 0.859 282 S HN 0.424 nan 8.310 nan 0.000 0.453 283 I N -1.294 119.151 120.570 -0.208 0.000 2.546 283 I HA 0.030 4.200 4.170 -0.000 0.000 0.255 283 I C 1.998 178.080 176.117 -0.059 0.000 1.163 283 I CA 1.131 62.357 61.300 -0.123 0.000 1.457 283 I CB -0.395 37.433 38.000 -0.286 0.000 1.092 283 I HN 0.247 nan 8.210 nan 0.000 0.434 284 I N 1.774 122.266 120.570 -0.131 0.000 2.206 284 I HA -0.158 4.012 4.170 -0.000 0.000 0.239 284 I C 2.296 178.378 176.117 -0.058 0.000 1.078 284 I CA 1.087 62.333 61.300 -0.090 0.000 1.367 284 I CB -0.547 37.381 38.000 -0.121 0.000 1.078 284 I HN 0.215 nan 8.210 nan 0.000 0.413 285 N N 1.292 119.949 118.700 -0.071 0.000 2.120 285 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 285 N C 1.888 177.381 175.510 -0.029 0.000 1.024 285 N CA 1.656 54.676 53.050 -0.050 0.000 0.852 285 N CB -0.954 37.498 38.487 -0.059 0.000 1.003 285 N HN 0.421 nan 8.380 nan 0.000 0.424 286 G N 0.406 109.194 108.800 -0.021 0.000 2.462 286 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 286 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 286 G C 1.651 176.573 174.900 0.036 0.000 1.121 286 G CA 1.383 46.489 45.100 0.010 0.000 0.758 286 G HN 0.529 nan 8.290 nan 0.000 0.559 287 S N -0.242 115.483 115.700 0.040 0.000 2.461 287 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 287 S C 0.897 175.499 174.600 0.003 0.000 1.005 287 S CA 0.234 58.458 58.200 0.040 0.000 0.942 287 S CB -0.129 63.090 63.200 0.032 0.000 0.776 287 S HN 0.322 nan 8.310 nan 0.000 0.514 288 D N 2.090 122.485 120.400 -0.008 0.000 2.533 288 D HA 0.017 4.657 4.640 -0.000 0.000 0.236 288 D C 0.377 176.671 176.300 -0.010 0.000 1.137 288 D CA 0.159 54.151 54.000 -0.014 0.000 0.867 288 D CB 0.475 41.266 40.800 -0.015 0.000 1.170 288 D HN 0.185 nan 8.370 nan 0.000 0.474 289 N N 3.517 122.210 118.700 -0.011 0.000 2.309 289 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 289 N C 1.553 177.058 175.510 -0.008 0.000 1.018 289 N CA 0.464 53.507 53.050 -0.010 0.000 0.876 289 N CB -0.088 38.393 38.487 -0.010 0.000 0.972 289 N HN 0.555 nan 8.380 nan 0.000 0.434 290 K N 0.978 121.375 120.400 -0.006 0.000 2.107 290 K HA -0.129 4.191 4.320 -0.000 0.000 0.211 290 K C 1.765 178.361 176.600 -0.007 0.000 1.049 290 K CA 1.302 57.586 56.287 -0.004 0.000 0.927 290 K CB -0.047 32.450 32.500 -0.005 0.000 0.714 290 K HN 0.143 nan 8.250 nan 0.000 0.452 291 I N -0.598 119.966 120.570 -0.009 0.000 2.429 291 I HA -0.060 4.110 4.170 -0.000 0.000 0.247 291 I C 2.338 178.447 176.117 -0.013 0.000 1.099 291 I CA 0.720 62.013 61.300 -0.012 0.000 1.422 291 I CB -0.177 37.816 38.000 -0.011 0.000 1.112 291 I HN 0.210 nan 8.210 nan 0.000 0.430 292 A N 1.382 124.196 122.820 -0.010 0.000 1.968 292 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 292 A C 2.123 179.684 177.584 -0.038 0.000 1.169 292 A CA 1.160 53.189 52.037 -0.012 0.000 0.638 292 A CB -0.624 18.375 19.000 -0.001 0.000 0.812 292 A HN 0.513 nan 8.150 nan 0.000 0.446 293 L N -2.974 118.229 121.223 -0.033 0.000 2.591 293 L HA 0.587 4.927 4.340 -0.000 0.000 0.228 293 L C 0.902 177.761 176.870 -0.017 0.000 1.133 293 L CA 0.403 55.220 54.840 -0.038 0.000 0.880 293 L CB -0.517 41.529 42.059 -0.023 0.000 1.033 293 L HN 0.148 nan 8.230 nan 0.000 0.450 294 A N 0.707 123.517 122.820 -0.016 0.000 2.286 294 A HA 0.783 5.103 4.320 -0.000 0.000 0.286 294 A C 0.459 178.021 177.584 -0.036 0.000 1.097 294 A CA -0.115 51.918 52.037 -0.006 0.000 0.821 294 A CB 0.306 19.299 19.000 -0.012 0.000 1.076 294 A HN 0.446 nan 8.150 nan 0.000 0.490 295 A N 1.848 124.640 122.820 -0.046 0.000 2.409 295 A HA 0.600 4.920 4.320 -0.000 0.000 0.262 295 A C 0.290 177.745 177.584 -0.214 0.000 1.113 295 A CA -0.300 51.625 52.037 -0.187 0.000 0.790 295 A CB 0.160 18.931 19.000 -0.382 0.000 1.046 295 A HN 0.714 nan 8.150 nan 0.000 0.496 296 R N 2.313 122.675 120.500 -0.231 0.000 2.686 296 R HA 0.488 4.828 4.340 -0.000 0.000 0.286 296 R C -3.087 173.073 176.300 -0.233 0.000 0.969 296 R CA -2.146 53.841 56.100 -0.188 0.000 0.898 296 R CB 1.992 32.226 30.300 -0.110 0.000 1.183 296 R HN 0.510 nan 8.270 nan 0.000 0.456 297 P HA 0.071 nan 4.420 nan 0.000 0.271 297 P C -0.191 177.045 177.300 -0.106 0.000 1.216 297 P CA -0.243 62.749 63.100 -0.181 0.000 0.776 297 P CB 0.789 32.410 31.700 -0.130 0.000 0.881 298 V N 0.191 120.050 119.914 -0.093 0.000 2.581 298 V HA 0.566 4.686 4.120 -0.000 0.000 0.303 298 V C -0.030 176.171 176.094 0.178 0.000 1.041 298 V CA -1.089 61.228 62.300 0.029 0.000 0.907 298 V CB 1.726 33.486 31.823 -0.105 0.000 0.994 298 V HN 0.423 nan 8.190 nan 0.000 0.442 299 K N 3.113 123.668 120.400 0.257 0.000 2.213 299 K HA 0.768 5.088 4.320 -0.000 0.000 0.270 299 K C 0.069 176.903 176.600 0.390 0.000 1.002 299 K CA -0.329 56.116 56.287 0.263 0.000 0.868 299 K CB 1.499 34.085 32.500 0.144 0.000 1.093 299 K HN 1.150 nan 8.250 nan 0.000 0.454 300 A N 5.062 128.074 122.820 0.319 0.000 2.425 300 A HA 0.313 4.633 4.320 -0.000 0.000 0.249 300 A C -0.160 177.382 177.584 -0.070 0.000 1.084 300 A CA -0.339 51.657 52.037 -0.068 0.000 0.781 300 A CB 0.008 18.921 19.000 -0.145 0.000 1.019 300 A HN 0.797 nan 8.150 nan 0.000 0.490 301 I N 2.349 122.809 120.570 -0.183 0.000 2.330 301 I HA 0.239 4.409 4.170 -0.000 0.000 0.286 301 I C -0.250 175.774 176.117 -0.155 0.000 1.025 301 I CA 0.053 61.292 61.300 -0.102 0.000 1.197 301 I CB 1.425 39.386 38.000 -0.065 0.000 1.358 301 I HN 0.520 nan 8.210 nan 0.000 0.467 302 T N 6.481 120.977 114.554 -0.096 0.000 3.060 302 T HA 0.389 4.739 4.350 -0.000 0.000 0.367 302 T C -1.828 172.836 174.700 -0.059 0.000 1.229 302 T CA -0.888 61.162 62.100 -0.083 0.000 1.104 302 T CB 0.679 69.517 68.868 -0.051 0.000 1.083 302 T HN 0.464 nan 8.240 nan 0.000 0.524 303 P HA 0.582 nan 4.420 nan 0.000 0.283 303 P C -3.079 174.137 177.300 -0.140 0.000 1.278 303 P CA -2.176 60.869 63.100 -0.092 0.000 0.834 303 P CB 0.177 31.837 31.700 -0.068 0.000 1.150 304 P HA 0.082 nan 4.420 nan 0.000 0.265 304 P C -0.301 176.838 177.300 -0.267 0.000 1.193 304 P CA 0.349 63.251 63.100 -0.331 0.000 0.765 304 P CB -0.041 31.288 31.700 -0.618 0.000 0.823 305 T N 5.740 120.145 114.554 -0.250 0.000 2.834 305 T HA 0.222 4.572 4.350 -0.000 0.000 0.298 305 T C -2.083 172.491 174.700 -0.210 0.000 0.966 305 T CA -0.897 61.084 62.100 -0.198 0.000 1.141 305 T CB -0.245 68.505 68.868 -0.197 0.000 0.905 305 T HN 0.287 nan 8.240 nan 0.000 0.535 306 P HA 0.212 nan 4.420 nan 0.000 0.270 306 P C -0.568 176.658 177.300 -0.122 0.000 1.223 306 P CA -0.545 62.477 63.100 -0.130 0.000 0.785 306 P CB 0.303 31.948 31.700 -0.091 0.000 0.923 307 A N 2.289 125.050 122.820 -0.098 0.000 2.563 307 A HA 0.065 4.385 4.320 -0.000 0.000 0.256 307 A C 0.176 177.707 177.584 -0.088 0.000 1.056 307 A CA 0.207 52.192 52.037 -0.087 0.000 0.775 307 A CB -0.890 18.073 19.000 -0.062 0.000 0.973 307 A HN 0.373 nan 8.150 nan 0.000 0.516 308 V N 6.131 125.985 119.914 -0.100 0.000 2.389 308 V HA 0.095 4.215 4.120 -0.000 0.000 0.264 308 V C 1.602 177.659 176.094 -0.062 0.000 1.049 308 V CA -0.169 62.079 62.300 -0.087 0.000 0.932 308 V CB 0.585 32.338 31.823 -0.115 0.000 1.011 308 V HN 1.065 nan 8.190 nan 0.000 0.475 309 R N 3.586 124.057 120.500 -0.049 0.000 2.117 309 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 309 R C 1.327 177.614 176.300 -0.021 0.000 1.143 309 R CA 1.586 57.661 56.100 -0.042 0.000 0.968 309 R CB -0.062 30.215 30.300 -0.039 0.000 0.863 309 R HN 0.762 nan 8.270 nan 0.000 0.444 310 A N 1.160 123.993 122.820 0.023 0.000 3.126 310 A HA 0.281 4.601 4.320 -0.000 0.000 0.268 310 A C -0.628 177.053 177.584 0.163 0.000 1.605 310 A CA -0.109 51.997 52.037 0.114 0.000 1.305 310 A CB 0.254 19.341 19.000 0.144 0.000 1.160 310 A HN 0.036 nan 8.150 nan 0.000 0.609 311 S N 0.544 116.305 115.700 0.103 0.000 2.526 311 S HA 0.440 4.910 4.470 -0.000 0.000 0.293 311 S C -0.732 173.945 174.600 0.130 0.000 1.092 311 S CA -0.584 57.689 58.200 0.122 0.000 0.980 311 S CB 1.062 64.251 63.200 -0.020 0.000 1.048 311 S HN 0.683 nan 8.310 nan 0.000 0.483 312 W N 4.596 125.941 121.300 0.074 0.000 2.437 312 W HA 0.453 5.113 4.660 -0.000 0.000 0.312 312 W C -1.598 174.798 176.519 -0.205 0.000 1.242 312 W CA -0.355 56.962 57.345 -0.047 0.000 1.340 312 W CB 0.342 29.881 29.460 0.133 0.000 1.327 312 W HN 0.322 nan 8.180 nan 0.000 0.476 313 V N 7.461 126.952 119.914 -0.706 0.000 2.435 313 V HA 0.426 4.546 4.120 -0.000 0.000 0.290 313 V C -0.115 175.552 176.094 -0.711 0.000 1.030 313 V CA -0.398 61.437 62.300 -0.776 0.000 0.881 313 V CB 1.329 32.204 31.823 -1.580 0.000 0.983 313 V HN 0.652 nan 8.190 nan 0.000 0.445 314 H N 2.263 121.229 119.070 -0.174 0.000 2.967 314 H HA 0.887 5.443 4.556 -0.000 0.000 0.318 314 H C -1.353 174.220 175.328 0.408 0.000 1.375 314 H CA -1.224 54.861 56.048 0.061 0.000 1.132 314 H CB 2.117 31.938 29.762 0.099 0.000 1.848 314 H HN 0.456 nan 8.280 nan 0.000 0.524 315 K N 1.004 121.501 120.400 0.160 0.000 2.570 315 K HA 0.327 4.647 4.320 -0.000 0.000 0.256 315 K C -1.491 175.211 176.600 0.170 0.000 0.939 315 K CA -0.334 55.996 56.287 0.072 0.000 0.833 315 K CB 2.687 35.199 32.500 0.021 0.000 1.318 315 K HN 0.801 nan 8.250 nan 0.000 0.433 316 T N 1.093 115.781 114.554 0.223 0.000 2.934 316 T HA 0.863 5.213 4.350 -0.000 0.000 0.283 316 T C -0.569 174.233 174.700 0.170 0.000 1.005 316 T CA -0.072 62.208 62.100 0.301 0.000 1.041 316 T CB 0.872 69.880 68.868 0.234 0.000 1.042 316 T HN 0.675 nan 8.240 nan 0.000 0.505 317 G N 0.563 109.463 108.800 0.166 0.000 2.759 317 G HA2 0.702 4.662 3.960 -0.000 0.000 0.297 317 G HA3 0.702 4.662 3.960 -0.000 0.000 0.297 317 G C -1.615 173.365 174.900 0.134 0.000 1.434 317 G CA -0.198 44.986 45.100 0.140 0.000 0.980 317 G HN 0.935 nan 8.290 nan 0.000 0.531 318 A N 0.772 123.661 122.820 0.116 0.000 2.539 318 A HA 0.981 5.300 4.320 -0.000 0.000 0.296 318 A C 0.135 177.794 177.584 0.125 0.000 1.073 318 A CA 0.034 52.150 52.037 0.131 0.000 0.700 318 A CB 1.798 20.846 19.000 0.080 0.000 1.296 318 A HN 1.785 nan 8.150 nan 0.000 0.405 319 T N -1.934 112.737 114.554 0.194 0.000 2.841 319 T HA 0.610 4.960 4.350 -0.000 0.000 0.276 319 T C 1.396 176.199 174.700 0.172 0.000 1.003 319 T CA 0.178 62.374 62.100 0.161 0.000 0.995 319 T CB 0.928 69.938 68.868 0.235 0.000 1.260 319 T HN 1.474 nan 8.240 nan 0.000 0.581 320 G N -0.223 108.663 108.800 0.143 0.000 2.503 320 G HA2 0.047 4.007 3.960 -0.000 0.000 0.221 320 G HA3 0.047 4.007 3.960 -0.000 0.000 0.221 320 G C 1.236 176.225 174.900 0.147 0.000 1.131 320 G CA 0.778 45.952 45.100 0.123 0.000 0.756 320 G HN 1.142 nan 8.290 nan 0.000 0.572 321 G N -1.523 107.414 108.800 0.229 0.000 3.062 321 G HA2 0.458 4.418 3.960 -0.000 0.000 0.228 321 G HA3 0.458 4.418 3.960 -0.000 0.000 0.228 321 G C -0.256 174.634 174.900 -0.016 0.000 1.094 321 G CA -0.429 44.730 45.100 0.097 0.000 0.782 321 G HN 0.218 nan 8.290 nan 0.000 0.541 322 F N -0.425 119.655 119.950 0.216 0.000 2.588 322 F HA 0.671 5.198 4.527 -0.000 0.000 0.310 322 F C 0.261 176.193 175.800 0.221 0.000 1.082 322 F CA -1.101 57.063 58.000 0.273 0.000 0.929 322 F CB 2.525 41.709 39.000 0.306 0.000 1.254 322 F HN -0.005 nan 8.300 nan 0.000 0.455 323 G N 1.106 110.158 108.800 0.421 0.000 2.702 323 G HA2 0.567 4.527 3.960 -0.000 0.000 0.295 323 G HA3 0.567 4.527 3.960 -0.000 0.000 0.295 323 G C -1.466 173.599 174.900 0.276 0.000 1.446 323 G CA -0.562 44.685 45.100 0.245 0.000 0.983 323 G HN 0.550 nan 8.290 nan 0.000 0.520 324 S N 0.431 116.274 115.700 0.238 0.000 2.621 324 S HA 0.791 5.261 4.470 -0.000 0.000 0.302 324 S C -1.503 173.282 174.600 0.308 0.000 1.093 324 S CA -0.616 57.734 58.200 0.251 0.000 1.017 324 S CB 1.880 65.220 63.200 0.233 0.000 1.077 324 S HN 0.640 nan 8.310 nan 0.000 0.517 325 Y N 0.437 120.840 120.300 0.171 0.000 2.482 325 Y HA 0.556 5.106 4.550 -0.000 0.000 0.334 325 Y C -1.798 174.250 175.900 0.247 0.000 1.091 325 Y CA -0.777 57.443 58.100 0.200 0.000 1.027 325 Y CB 1.005 39.585 38.460 0.199 0.000 1.306 325 Y HN 0.468 nan 8.280 nan 0.000 0.446 326 V N 4.386 124.131 119.914 -0.283 0.000 2.709 326 V HA 0.982 5.102 4.120 -0.000 0.000 0.308 326 V C -0.852 174.998 176.094 -0.407 0.000 1.062 326 V CA -0.336 61.880 62.300 -0.140 0.000 0.901 326 V CB 1.507 33.499 31.823 0.281 0.000 1.003 326 V HN 0.996 nan 8.190 nan 0.000 0.425 327 A N 4.636 127.254 122.820 -0.336 0.000 2.547 327 A HA 1.025 5.345 4.320 -0.000 0.000 0.297 327 A C -1.285 176.011 177.584 -0.480 0.000 1.056 327 A CA -0.506 51.178 52.037 -0.588 0.000 0.688 327 A CB 1.756 20.320 19.000 -0.725 0.000 1.282 327 A HN 1.538 nan 8.150 nan 0.000 0.400 328 F N -0.700 118.784 119.950 -0.777 0.000 2.713 328 F HA 0.822 5.349 4.527 -0.000 0.000 0.311 328 F C -1.532 173.907 175.800 -0.601 0.000 1.141 328 F CA -1.234 56.396 58.000 -0.617 0.000 0.939 328 F CB 1.223 39.930 39.000 -0.489 0.000 1.325 328 F HN 0.298 nan 8.300 nan 0.000 0.453 329 I N 2.183 122.583 120.570 -0.284 0.000 2.563 329 I HA 0.318 4.488 4.170 -0.000 0.000 0.276 329 I C -2.159 173.853 176.117 -0.174 0.000 1.074 329 I CA -1.765 59.327 61.300 -0.347 0.000 1.124 329 I CB 1.806 39.450 38.000 -0.594 0.000 1.225 329 I HN 0.371 nan 8.210 nan 0.000 0.482 330 P HA -0.201 nan 4.420 nan 0.000 0.218 330 P C 1.410 178.651 177.300 -0.099 0.000 1.148 330 P CA 1.204 64.269 63.100 -0.058 0.000 0.822 330 P CB 0.351 32.030 31.700 -0.035 0.000 0.784 331 E N 0.009 120.148 120.200 -0.101 0.000 2.110 331 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 331 E C 1.263 177.800 176.600 -0.106 0.000 0.988 331 E CA 1.032 57.383 56.400 -0.080 0.000 0.804 331 E CB -0.066 29.612 29.700 -0.036 0.000 0.745 331 E HN 0.032 nan 8.360 nan 0.000 0.458 332 K N 0.454 120.755 120.400 -0.165 0.000 2.404 332 K HA 0.023 4.343 4.320 -0.000 0.000 0.194 332 K C -0.154 176.337 176.600 -0.180 0.000 1.023 332 K CA 0.301 56.482 56.287 -0.177 0.000 1.094 332 K CB 0.308 32.657 32.500 -0.253 0.000 0.841 332 K HN 0.208 nan 8.250 nan 0.000 0.523 333 E N 0.750 120.851 120.200 -0.165 0.000 2.328 333 E HA -0.237 4.113 4.350 -0.000 0.000 0.233 333 E C -0.633 175.869 176.600 -0.163 0.000 1.219 333 E CA 0.240 56.541 56.400 -0.165 0.000 0.717 333 E CB -1.555 28.043 29.700 -0.169 0.000 1.210 333 E HN 0.033 nan 8.360 nan 0.000 0.381 334 L N -0.116 121.015 121.223 -0.155 0.000 2.365 334 L HA 0.790 5.130 4.340 -0.000 0.000 0.273 334 L C 0.264 177.067 176.870 -0.111 0.000 1.000 334 L CA 0.233 55.002 54.840 -0.119 0.000 0.819 334 L CB 2.025 43.986 42.059 -0.162 0.000 1.284 334 L HN 0.103 nan 8.230 nan 0.000 0.418 335 G N 4.003 112.768 108.800 -0.059 0.000 2.608 335 G HA2 0.640 4.600 3.960 -0.000 0.000 0.291 335 G HA3 0.640 4.600 3.960 -0.000 0.000 0.291 335 G C -2.167 172.736 174.900 0.005 0.000 1.425 335 G CA -0.450 44.621 45.100 -0.048 0.000 0.787 335 G HN 0.758 nan 8.290 nan 0.000 0.484 336 I N -0.181 120.400 120.570 0.018 0.000 2.743 336 I HA 0.566 4.736 4.170 -0.000 0.000 0.292 336 I C -1.375 174.810 176.117 0.113 0.000 1.343 336 I CA -0.833 60.521 61.300 0.090 0.000 1.038 336 I CB 2.191 40.265 38.000 0.123 0.000 1.311 336 I HN 0.401 nan 8.210 nan 0.000 0.426 337 V N 7.419 127.435 119.914 0.170 0.000 2.604 337 V HA 0.570 4.690 4.120 -0.000 0.000 0.305 337 V C -0.402 175.826 176.094 0.223 0.000 1.043 337 V CA -0.466 61.951 62.300 0.195 0.000 0.888 337 V CB 1.861 33.812 31.823 0.214 0.000 0.995 337 V HN 0.649 nan 8.190 nan 0.000 0.429 338 M N 5.887 125.626 119.600 0.232 0.000 2.151 338 M HA 0.589 5.069 4.480 -0.000 0.000 0.290 338 M C -1.398 174.999 176.300 0.161 0.000 0.965 338 M CA -0.109 55.327 55.300 0.227 0.000 0.930 338 M CB 1.898 34.680 32.600 0.304 0.000 1.560 338 M HN 0.391 nan 8.290 nan 0.000 0.438 339 L N 2.978 124.197 121.223 -0.008 0.000 2.349 339 L HA 0.952 5.292 4.340 -0.000 0.000 0.278 339 L C -0.425 176.261 176.870 -0.306 0.000 0.996 339 L CA -0.669 54.000 54.840 -0.285 0.000 0.825 339 L CB 1.720 43.269 42.059 -0.850 0.000 1.243 339 L HN 0.785 nan 8.230 nan 0.000 0.412 340 A N 2.050 124.949 122.820 0.130 0.000 2.401 340 A HA 0.583 4.903 4.320 -0.000 0.000 0.310 340 A C -0.164 177.768 177.584 0.579 0.000 1.075 340 A CA -0.730 51.525 52.037 0.363 0.000 0.746 340 A CB 1.213 20.424 19.000 0.351 0.000 1.277 340 A HN 0.752 nan 8.150 nan 0.000 0.425 341 N N 1.100 120.084 118.700 0.472 0.000 2.455 341 N HA 0.139 4.879 4.740 -0.000 0.000 0.258 341 N C -0.425 175.079 175.510 -0.010 0.000 1.158 341 N CA -0.069 52.955 53.050 -0.042 0.000 0.893 341 N CB 0.142 38.592 38.487 -0.062 0.000 1.173 341 N HN 0.602 nan 8.380 nan 0.000 0.503 342 K N 0.030 120.512 120.400 0.136 0.000 2.523 342 K HA 0.239 4.559 4.320 -0.000 0.000 0.257 342 K C -1.488 175.283 176.600 0.285 0.000 0.932 342 K CA -0.732 55.654 56.287 0.165 0.000 0.812 342 K CB 1.246 33.841 32.500 0.159 0.000 1.326 342 K HN -0.066 nan 8.250 nan 0.000 0.433 343 N N 3.693 122.525 118.700 0.220 0.000 2.402 343 N HA 0.078 4.818 4.740 -0.000 0.000 0.259 343 N C -1.494 174.140 175.510 0.206 0.000 1.167 343 N CA 0.116 53.281 53.050 0.191 0.000 0.949 343 N CB -0.100 38.467 38.487 0.134 0.000 1.212 343 N HN 0.463 nan 8.380 nan 0.000 0.493 344 Y N 1.773 122.118 120.300 0.074 0.000 2.549 344 Y HA 0.769 5.319 4.550 -0.000 0.000 0.339 344 Y C -2.666 173.258 175.900 0.041 0.000 1.053 344 Y CA -3.236 54.894 58.100 0.048 0.000 1.105 344 Y CB -0.036 38.447 38.460 0.038 0.000 1.258 344 Y HN 0.308 nan 8.280 nan 0.000 0.478 345 P HA 0.072 nan 4.420 nan 0.000 0.265 345 P C 0.065 177.271 177.300 -0.156 0.000 1.193 345 P CA 0.176 63.250 63.100 -0.044 0.000 0.765 345 P CB 0.785 32.503 31.700 0.031 0.000 0.823 346 N N 4.109 122.723 118.700 -0.145 0.000 2.069 346 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 346 N C -0.890 174.540 175.510 -0.132 0.000 1.031 346 N CA 1.866 54.820 53.050 -0.161 0.000 0.852 346 N CB -1.898 36.536 38.487 -0.089 0.000 1.018 346 N HN 0.445 nan 8.380 nan 0.000 0.423 347 P HA -0.057 nan 4.420 nan 0.000 0.218 347 P C 1.041 178.328 177.300 -0.022 0.000 1.148 347 P CA 1.455 64.527 63.100 -0.048 0.000 0.822 347 P CB -0.053 31.631 31.700 -0.027 0.000 0.784 348 A N -0.015 122.817 122.820 0.020 0.000 1.933 348 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 348 A C 2.207 179.865 177.584 0.125 0.000 1.175 348 A CA 1.450 53.547 52.037 0.099 0.000 0.628 348 A CB -0.984 18.141 19.000 0.208 0.000 0.814 348 A HN 0.095 nan 8.150 nan 0.000 0.444 349 R N -0.671 119.857 120.500 0.046 0.000 2.070 349 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 349 R C 1.985 178.204 176.300 -0.135 0.000 1.137 349 R CA 1.626 57.715 56.100 -0.018 0.000 0.945 349 R CB -0.677 29.473 30.300 -0.251 0.000 0.845 349 R HN 0.376 nan 8.270 nan 0.000 0.430 350 V N 1.378 121.129 119.914 -0.272 0.000 2.453 350 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 350 V C 1.888 178.052 176.094 0.115 0.000 1.048 350 V CA 2.026 64.213 62.300 -0.188 0.000 1.049 350 V CB -0.524 31.221 31.823 -0.129 0.000 0.672 350 V HN 0.332 nan 8.190 nan 0.000 0.457 351 D N 0.695 121.139 120.400 0.074 0.000 2.117 351 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 351 D C 2.107 178.539 176.300 0.220 0.000 0.987 351 D CA 1.592 55.673 54.000 0.135 0.000 0.829 351 D CB -0.120 40.724 40.800 0.074 0.000 0.961 351 D HN 0.347 nan 8.370 nan 0.000 0.460 352 A N 0.465 123.391 122.820 0.177 0.000 1.902 352 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 352 A C 2.405 180.132 177.584 0.238 0.000 1.181 352 A CA 2.120 54.260 52.037 0.172 0.000 0.623 352 A CB -1.144 17.937 19.000 0.134 0.000 0.818 352 A HN 0.346 nan 8.150 nan 0.000 0.443 353 A N -1.887 121.137 122.820 0.341 0.000 1.933 353 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 353 A C 1.979 179.886 177.584 0.539 0.000 1.175 353 A CA 1.511 53.832 52.037 0.472 0.000 0.628 353 A CB -0.801 18.655 19.000 0.760 0.000 0.814 353 A HN 0.825 nan 8.150 nan 0.000 0.444 354 W N 0.627 122.154 121.300 0.379 0.000 2.418 354 W HA -0.114 4.546 4.660 -0.000 0.000 0.292 354 W C 2.362 179.008 176.519 0.212 0.000 1.213 354 W CA 1.694 59.210 57.345 0.285 0.000 1.283 354 W CB -0.073 29.397 29.460 0.017 0.000 1.119 354 W HN 0.400 nan 8.180 nan 0.000 0.542 355 Q N 0.054 120.003 119.800 0.248 0.000 2.096 355 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 355 Q C 2.152 178.122 176.000 -0.050 0.000 0.982 355 Q CA 2.214 58.062 55.803 0.074 0.000 0.850 355 Q CB -0.571 28.245 28.738 0.130 0.000 0.901 355 Q HN 0.427 nan 8.270 nan 0.000 0.422 356 I N 0.441 121.022 120.570 0.018 0.000 2.162 356 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 356 I C 2.274 178.369 176.117 -0.036 0.000 1.076 356 I CA 0.936 62.233 61.300 -0.006 0.000 1.353 356 I CB -0.222 37.796 38.000 0.029 0.000 1.063 356 I HN 0.144 nan 8.210 nan 0.000 0.408 357 L N 0.336 121.557 121.223 -0.003 0.000 2.141 357 L HA -0.201 4.138 4.340 -0.000 0.000 0.209 357 L C 2.334 179.138 176.870 -0.110 0.000 1.094 357 L CA 1.299 56.125 54.840 -0.023 0.000 0.763 357 L CB -0.847 41.250 42.059 0.062 0.000 0.908 357 L HN 0.444 nan 8.230 nan 0.000 0.437 358 N N 0.534 119.042 118.700 -0.320 0.000 2.270 358 N HA -0.138 4.601 4.740 -0.000 0.000 0.181 358 N C 1.865 177.263 175.510 -0.188 0.000 1.016 358 N CA 1.079 53.897 53.050 -0.387 0.000 0.870 358 N CB 0.245 37.997 38.487 -1.225 0.000 0.979 358 N HN 0.291 nan 8.380 nan 0.000 0.431 359 A N 1.116 123.837 122.820 -0.165 0.000 1.930 359 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 359 A C 2.116 179.679 177.584 -0.036 0.000 1.175 359 A CA 0.795 52.783 52.037 -0.081 0.000 0.627 359 A CB -0.369 18.585 19.000 -0.075 0.000 0.815 359 A HN 0.312 nan 8.150 nan 0.000 0.443 360 L N -0.345 120.867 121.223 -0.019 0.000 2.477 360 L HA 0.034 4.374 4.340 -0.000 0.000 0.220 360 L C 1.343 178.299 176.870 0.143 0.000 1.106 360 L CA -0.061 54.813 54.840 0.058 0.000 0.851 360 L CB -0.402 41.697 42.059 0.067 0.000 0.994 360 L HN 0.590 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.844 119.800 0.074 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.844 55.803 0.069 0.000 1.022 361 Q CB 0.000 28.776 28.738 0.062 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481