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 2o0t_1_C DATA FIRST_RESID 2 DATA SEQUENCE NELLHLAPNV WPRNTTRDEV GVVCIAGIPL TQLAQEYGTP LFVIDEDDFR DATA SEQUENCE SRCRETAAAF GSGANVHYAA XAFLCSEVAR WISEEGLCLD VCTGGELAVA DATA SEQUENCE LHASFPPERI TLHGNNKSVS ELTAAVKAGV GHIVVDSMTE IERLDAIAGE DATA SEQUENCE AGIVQDVLVR LTVGVEAHTH EFISTAHEDQ KFGLSVASGA AMAAVRRVFA DATA SEQUENCE TDHLRLVGLH SHIGSQIFDV DGFELAAHRV IGLLRDVVGE FGPEKTAQIA DATA SEQUENCE TVDLGGGLGI SYLPSDDPPP IAELAAKLGT IVSDESTAVG LPTPKLVVEP DATA SEQUENCE GRAIAGPGTI TLYEVGTVKD VDVSATAHRR YVSVDGGMSD NIRTALYGAQ DATA SEQUENCE YDVRLVSRVS DAPPVPARLV GKHCESGDII VRDTWVPDDI RPGDLVAVAA DATA SEQUENCE TGAYCYSLSS RYNMVGRPAV VAVHAGNARL VLRRETVDDL LSLEVR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.512 175.510 0.004 0.000 1.280 2 N CA 0.000 53.051 53.050 0.002 0.000 0.885 2 N CB 0.000 38.484 38.487 -0.006 0.000 1.341 3 E N 1.304 121.502 120.200 -0.004 0.000 2.364 3 E HA 0.067 4.417 4.350 -0.000 0.000 0.196 3 E C 1.562 178.183 176.600 0.035 0.000 0.990 3 E CA 0.281 56.678 56.400 -0.005 0.000 0.886 3 E CB -0.044 29.627 29.700 -0.048 0.000 0.866 3 E HN 0.367 nan 8.360 nan 0.000 0.493 4 L N 0.598 121.841 121.223 0.033 0.000 2.554 4 L HA 0.130 4.469 4.340 -0.000 0.000 0.226 4 L C 1.951 178.849 176.870 0.047 0.000 1.137 4 L CA 0.451 55.325 54.840 0.058 0.000 0.863 4 L CB -0.265 41.834 42.059 0.067 0.000 0.985 4 L HN 0.090 nan 8.230 nan 0.000 0.451 5 L N -1.297 119.945 121.223 0.031 0.000 2.209 5 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 5 L C 1.278 178.127 176.870 -0.035 0.000 1.094 5 L CA 0.722 55.558 54.840 -0.007 0.000 0.790 5 L CB -0.556 41.505 42.059 0.002 0.000 0.932 5 L HN 0.227 nan 8.230 nan 0.000 0.447 6 H N 0.779 119.807 119.070 -0.070 0.000 2.928 6 H HA 0.109 4.665 4.556 -0.000 0.000 0.338 6 H C -0.760 174.489 175.328 -0.132 0.000 1.047 6 H CA 0.177 56.178 56.048 -0.080 0.000 1.435 6 H CB 0.474 30.217 29.762 -0.030 0.000 1.428 6 H HN 0.074 nan 8.280 nan 0.000 0.590 7 L N 5.235 126.002 121.223 -0.761 0.000 2.313 7 L HA 0.318 4.658 4.340 -0.000 0.000 0.273 7 L C 0.545 177.067 176.870 -0.581 0.000 1.028 7 L CA -0.843 53.529 54.840 -0.780 0.000 0.871 7 L CB 1.177 42.635 42.059 -1.001 0.000 1.242 7 L HN 0.594 nan 8.230 nan 0.000 0.434 8 A N 4.648 127.411 122.820 -0.095 0.000 2.563 8 A HA 0.185 4.504 4.320 -0.000 0.000 0.256 8 A C -1.399 176.309 177.584 0.208 0.000 1.056 8 A CA -0.649 51.487 52.037 0.165 0.000 0.775 8 A CB -0.162 19.023 19.000 0.307 0.000 0.973 8 A HN 0.562 nan 8.150 nan 0.000 0.516 9 P HA -0.136 nan 4.420 nan 0.000 0.223 9 P C 1.042 178.404 177.300 0.104 0.000 1.151 9 P CA 1.213 64.376 63.100 0.105 0.000 0.787 9 P CB 0.002 31.745 31.700 0.071 0.000 0.788 10 N N -0.317 118.441 118.700 0.095 0.000 2.354 10 N HA -0.053 4.687 4.740 -0.000 0.000 0.179 10 N C 1.343 176.868 175.510 0.026 0.000 1.021 10 N CA 0.954 54.031 53.050 0.046 0.000 0.887 10 N CB -1.135 37.365 38.487 0.022 0.000 0.974 10 N HN 0.063 nan 8.380 nan 0.000 0.437 11 V N -0.456 119.500 119.914 0.070 0.000 2.426 11 V HA 0.038 4.158 4.120 -0.000 0.000 0.242 11 V C 0.732 176.718 176.094 -0.180 0.000 1.036 11 V CA 0.550 62.813 62.300 -0.060 0.000 1.044 11 V CB -0.547 31.245 31.823 -0.052 0.000 0.688 11 V HN 0.152 nan 8.190 nan 0.000 0.462 12 W N -0.120 121.182 121.300 0.003 0.000 2.215 12 W HA 0.422 5.082 4.660 0.001 0.000 0.342 12 W C -2.143 174.378 176.519 0.003 0.000 1.237 12 W CA -2.393 54.955 57.345 0.005 0.000 1.283 12 W CB -0.798 28.652 29.460 -0.016 0.000 1.131 12 W HN -0.038 nan 8.180 nan 0.000 0.606 13 P HA -0.085 nan 4.420 nan 0.000 0.264 13 P C 0.914 178.283 177.300 0.115 0.000 1.179 13 P CA 0.298 63.475 63.100 0.129 0.000 0.763 13 P CB 0.582 32.366 31.700 0.139 0.000 0.806 14 R N 2.248 122.791 120.500 0.071 0.000 2.139 14 R HA -0.128 4.212 4.340 -0.000 0.000 0.243 14 R C 0.479 176.804 176.300 0.042 0.000 1.145 14 R CA 1.345 57.475 56.100 0.050 0.000 0.976 14 R CB -0.561 29.757 30.300 0.030 0.000 0.866 14 R HN 0.551 nan 8.270 nan 0.000 0.449 15 N N 1.044 119.769 118.700 0.042 0.000 2.376 15 N HA 0.039 4.779 4.740 -0.000 0.000 0.249 15 N C -0.556 174.973 175.510 0.032 0.000 1.140 15 N CA 0.166 53.230 53.050 0.022 0.000 0.870 15 N CB 0.861 39.349 38.487 0.001 0.000 1.124 15 N HN 0.032 nan 8.380 nan 0.000 0.505 16 T N 1.158 115.744 114.554 0.052 0.000 2.832 16 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 16 T C 0.892 175.585 174.700 -0.011 0.000 0.968 16 T CA -0.065 62.058 62.100 0.039 0.000 1.107 16 T CB 1.189 70.109 68.868 0.086 0.000 0.916 16 T HN 0.246 nan 8.240 nan 0.000 0.517 17 T N 1.012 115.548 114.554 -0.030 0.000 2.804 17 T HA 0.699 5.049 4.350 -0.000 0.000 0.290 17 T C -0.717 173.942 174.700 -0.068 0.000 1.099 17 T CA -1.202 60.870 62.100 -0.047 0.000 1.011 17 T CB 1.929 70.780 68.868 -0.029 0.000 1.291 17 T HN 0.489 nan 8.240 nan 0.000 0.523 18 R N 0.311 120.772 120.500 -0.065 0.000 2.599 18 R HA 0.429 4.769 4.340 -0.000 0.000 0.295 18 R C -0.816 175.461 176.300 -0.038 0.000 0.963 18 R CA -0.575 55.487 56.100 -0.062 0.000 0.883 18 R CB 1.179 31.431 30.300 -0.079 0.000 1.171 18 R HN 0.728 nan 8.270 nan 0.000 0.450 19 D N 1.630 122.012 120.400 -0.030 0.000 2.303 19 D HA -0.136 4.504 4.640 -0.000 0.000 0.233 19 D C 1.108 177.398 176.300 -0.017 0.000 1.313 19 D CA 0.580 54.569 54.000 -0.019 0.000 0.883 19 D CB 0.779 41.570 40.800 -0.014 0.000 1.220 19 D HN 0.571 nan 8.370 nan 0.000 0.490 20 E N -0.017 120.176 120.200 -0.012 0.000 2.371 20 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 20 E C 1.490 178.085 176.600 -0.008 0.000 1.012 20 E CA 0.477 56.871 56.400 -0.010 0.000 0.860 20 E CB -0.448 29.247 29.700 -0.007 0.000 0.811 20 E HN 0.276 nan 8.360 nan 0.000 0.502 21 V N -2.770 117.139 119.914 -0.008 0.000 3.542 21 V HA 0.549 4.669 4.120 -0.000 0.000 0.296 21 V C 1.211 177.300 176.094 -0.009 0.000 1.364 21 V CA 0.256 62.552 62.300 -0.006 0.000 1.118 21 V CB -0.258 31.563 31.823 -0.003 0.000 0.972 21 V HN 0.253 nan 8.190 nan 0.000 0.430 22 G N 0.244 109.035 108.800 -0.015 0.000 2.137 22 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.237 22 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.237 22 G C -0.066 174.818 174.900 -0.027 0.000 1.002 22 G CA 0.054 45.141 45.100 -0.022 0.000 0.702 22 G HN 0.883 nan 8.290 nan 0.000 0.515 23 V N 0.874 120.774 119.914 -0.022 0.000 2.439 23 V HA 0.509 4.629 4.120 -0.000 0.000 0.282 23 V C 1.072 177.147 176.094 -0.033 0.000 1.039 23 V CA -0.845 61.442 62.300 -0.021 0.000 0.913 23 V CB 1.830 33.649 31.823 -0.006 0.000 0.983 23 V HN 0.257 nan 8.190 nan 0.000 0.460 24 V N 4.205 124.091 119.914 -0.047 0.000 2.521 24 V HA 0.102 4.222 4.120 -0.000 0.000 0.286 24 V C 0.311 176.391 176.094 -0.023 0.000 1.034 24 V CA -0.079 62.182 62.300 -0.066 0.000 1.045 24 V CB 0.663 32.414 31.823 -0.119 0.000 0.974 24 V HN 1.006 nan 8.190 nan 0.000 0.480 25 C N 6.374 125.663 119.300 -0.018 0.000 2.376 25 C HA 0.700 5.160 4.460 -0.000 0.000 0.335 25 C C 0.050 175.052 174.990 0.021 0.000 1.229 25 C CA -0.722 58.299 59.018 0.006 0.000 1.867 25 C CB 0.655 28.395 27.740 -0.000 0.000 2.319 25 C HN 0.704 nan 8.230 nan 0.000 0.515 26 I N 2.394 122.988 120.570 0.040 0.000 2.433 26 I HA 0.494 4.664 4.170 -0.000 0.000 0.292 26 I C 0.898 177.035 176.117 0.033 0.000 1.001 26 I CA 0.251 61.580 61.300 0.049 0.000 1.119 26 I CB 1.450 39.497 38.000 0.078 0.000 1.289 26 I HN 0.904 nan 8.210 nan 0.000 0.438 27 A N 4.984 127.814 122.820 0.016 0.000 2.624 27 A HA -0.043 4.277 4.320 -0.000 0.000 0.302 27 A C 1.553 179.129 177.584 -0.014 0.000 1.504 27 A CA 1.179 53.207 52.037 -0.014 0.000 0.804 27 A CB -1.915 17.067 19.000 -0.029 0.000 1.020 27 A HN 1.965 nan 8.150 nan 0.000 0.444 28 G N -2.542 106.255 108.800 -0.005 0.000 2.199 28 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.254 28 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.254 28 G C 0.097 175.004 174.900 0.011 0.000 0.982 28 G CA 0.280 45.377 45.100 -0.004 0.000 0.632 28 G HN 1.481 nan 8.290 nan 0.000 0.529 29 I N 1.903 122.487 120.570 0.024 0.000 2.321 29 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 29 I C -2.233 173.906 176.117 0.037 0.000 0.998 29 I CA -2.446 58.877 61.300 0.038 0.000 1.227 29 I CB 1.706 39.742 38.000 0.061 0.000 1.368 29 I HN -0.176 nan 8.210 nan 0.000 0.466 30 P HA 0.012 nan 4.420 nan 0.000 0.268 30 P C 0.552 177.878 177.300 0.043 0.000 1.204 30 P CA -0.307 62.810 63.100 0.028 0.000 0.768 30 P CB 0.662 32.375 31.700 0.021 0.000 0.842 31 L N 2.930 124.177 121.223 0.040 0.000 2.131 31 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 31 L C 2.248 179.151 176.870 0.055 0.000 1.092 31 L CA 1.942 56.814 54.840 0.053 0.000 0.759 31 L CB -1.927 40.161 42.059 0.049 0.000 0.903 31 L HN 0.381 nan 8.230 nan 0.000 0.435 32 T N -0.928 113.651 114.554 0.042 0.000 2.653 32 T HA -0.340 4.010 4.350 -0.000 0.000 0.268 32 T C 1.839 176.565 174.700 0.043 0.000 1.035 32 T CA 2.048 64.171 62.100 0.038 0.000 1.154 32 T CB -0.064 68.820 68.868 0.025 0.000 0.862 32 T HN 0.445 nan 8.240 nan 0.000 0.441 33 Q N -0.019 119.808 119.800 0.046 0.000 2.119 33 Q HA -0.022 4.318 4.340 -0.000 0.000 0.201 33 Q C 2.301 178.346 176.000 0.075 0.000 0.972 33 Q CA 1.087 56.917 55.803 0.045 0.000 0.847 33 Q CB -0.221 28.544 28.738 0.045 0.000 0.903 33 Q HN 0.510 nan 8.270 nan 0.000 0.433 34 L N 0.217 121.514 121.223 0.123 0.000 2.056 34 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 34 L C 2.610 179.608 176.870 0.214 0.000 1.078 34 L CA 0.973 55.954 54.840 0.235 0.000 0.749 34 L CB -0.630 41.547 42.059 0.196 0.000 0.901 34 L HN 0.290 nan 8.230 nan 0.000 0.433 35 A N -0.378 122.514 122.820 0.120 0.000 1.902 35 A HA -0.246 4.073 4.320 -0.000 0.000 0.217 35 A C 2.247 179.870 177.584 0.066 0.000 1.181 35 A CA 1.566 53.659 52.037 0.093 0.000 0.623 35 A CB -0.456 18.582 19.000 0.064 0.000 0.818 35 A HN 0.456 nan 8.150 nan 0.000 0.443 36 Q N -0.614 119.208 119.800 0.037 0.000 2.084 36 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 36 Q C 2.015 177.985 176.000 -0.050 0.000 0.978 36 Q CA 1.696 57.499 55.803 0.001 0.000 0.844 36 Q CB -0.145 28.591 28.738 -0.004 0.000 0.898 36 Q HN 0.772 nan 8.270 nan 0.000 0.426 37 E N -0.755 119.380 120.200 -0.108 0.000 2.072 37 E HA -0.136 4.213 4.350 -0.000 0.000 0.190 37 E C 1.003 177.338 176.600 -0.442 0.000 0.982 37 E CA 0.969 57.161 56.400 -0.346 0.000 0.803 37 E CB 0.194 29.539 29.700 -0.592 0.000 0.755 37 E HN 0.436 nan 8.360 nan 0.000 0.453 38 Y N -0.676 119.643 120.300 0.031 0.000 2.430 38 Y HA 0.282 4.832 4.550 -0.000 0.000 0.248 38 Y C 0.906 176.830 175.900 0.038 0.000 1.108 38 Y CA 0.078 58.201 58.100 0.037 0.000 1.264 38 Y CB 1.527 40.013 38.460 0.042 0.000 1.172 38 Y HN 0.036 nan 8.280 nan 0.000 0.520 39 G N 1.067 109.952 108.800 0.142 0.000 2.781 39 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.683 39 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.683 39 G C -0.318 174.642 174.900 0.100 0.000 1.390 39 G CA -0.393 44.768 45.100 0.102 0.000 0.850 39 G HN 0.339 nan 8.290 nan 0.000 0.557 40 T N -0.852 113.747 114.554 0.075 0.000 2.924 40 T HA 0.809 5.159 4.350 -0.000 0.000 0.291 40 T C -2.720 172.023 174.700 0.072 0.000 1.045 40 T CA -1.459 60.674 62.100 0.055 0.000 1.015 40 T CB 2.383 71.285 68.868 0.058 0.000 1.103 40 T HN 0.561 nan 8.240 nan 0.000 0.496 41 P HA 0.489 nan 4.420 nan 0.000 0.270 41 P C -1.246 176.001 177.300 -0.089 0.000 1.223 41 P CA -0.609 62.448 63.100 -0.072 0.000 0.785 41 P CB 0.329 31.987 31.700 -0.069 0.000 0.923 42 L N 2.139 123.231 121.223 -0.218 0.000 2.470 42 L HA 0.484 4.824 4.340 -0.000 0.000 0.268 42 L C -1.537 175.208 176.870 -0.208 0.000 0.964 42 L CA -0.414 54.367 54.840 -0.098 0.000 0.839 42 L CB 0.952 43.002 42.059 -0.014 0.000 1.276 42 L HN 0.130 nan 8.230 nan 0.000 0.403 43 F N 4.808 124.702 119.950 -0.094 0.000 2.424 43 F HA 0.492 5.019 4.527 -0.000 0.000 0.356 43 F C 0.200 175.929 175.800 -0.118 0.000 1.110 43 F CA -0.281 57.646 58.000 -0.121 0.000 1.161 43 F CB 1.246 40.154 39.000 -0.153 0.000 1.115 43 F HN 0.117 nan 8.300 nan 0.000 0.507 44 V N 6.010 125.959 119.914 0.059 0.000 2.357 44 V HA 0.363 4.482 4.120 -0.000 0.000 0.284 44 V C 0.074 176.210 176.094 0.070 0.000 1.018 44 V CA -0.745 61.577 62.300 0.037 0.000 0.841 44 V CB 1.432 33.271 31.823 0.028 0.000 0.991 44 V HN 0.507 nan 8.190 nan 0.000 0.437 45 I N 3.745 124.363 120.570 0.079 0.000 2.330 45 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 45 I C -0.070 176.136 176.117 0.147 0.000 1.001 45 I CA -0.387 60.994 61.300 0.136 0.000 1.193 45 I CB 1.483 39.598 38.000 0.192 0.000 1.345 45 I HN 0.523 nan 8.210 nan 0.000 0.461 46 D N 6.682 127.166 120.400 0.141 0.000 2.383 46 D HA -0.035 4.605 4.640 -0.000 0.000 0.245 46 D C 1.061 177.422 176.300 0.100 0.000 1.263 46 D CA 0.251 54.315 54.000 0.106 0.000 0.936 46 D CB 0.767 41.625 40.800 0.097 0.000 1.053 46 D HN 0.658 nan 8.370 nan 0.000 0.507 47 E N 2.947 123.161 120.200 0.024 0.000 2.106 47 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 47 E C 1.202 177.697 176.600 -0.175 0.000 0.984 47 E CA 0.760 57.024 56.400 -0.227 0.000 0.806 47 E CB 0.113 29.534 29.700 -0.465 0.000 0.750 47 E HN 0.533 nan 8.360 nan 0.000 0.458 48 D N 0.890 121.272 120.400 -0.031 0.000 2.144 48 D HA -0.227 4.413 4.640 -0.000 0.000 0.199 48 D C 1.735 178.046 176.300 0.020 0.000 0.984 48 D CA 1.301 55.295 54.000 -0.010 0.000 0.834 48 D CB -0.335 40.448 40.800 -0.028 0.000 0.955 48 D HN 0.243 nan 8.370 nan 0.000 0.465 49 D N -0.056 120.371 120.400 0.046 0.000 2.106 49 D HA -0.227 4.413 4.640 -0.000 0.000 0.191 49 D C 2.192 178.550 176.300 0.096 0.000 0.997 49 D CA 0.810 54.848 54.000 0.064 0.000 0.834 49 D CB -0.730 40.116 40.800 0.075 0.000 0.956 49 D HN 0.286 nan 8.370 nan 0.000 0.448 50 F N 1.350 121.293 119.950 -0.012 0.000 2.065 50 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 50 F C 2.762 178.549 175.800 -0.022 0.000 1.112 50 F CA 1.762 59.772 58.000 0.016 0.000 1.212 50 F CB -0.058 38.999 39.000 0.095 0.000 0.975 50 F HN -0.118 nan 8.300 nan 0.000 0.476 51 R N -0.561 120.112 120.500 0.288 0.000 2.096 51 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 51 R C 2.540 178.883 176.300 0.070 0.000 1.127 51 R CA 1.297 57.489 56.100 0.153 0.000 0.968 51 R CB -0.837 29.452 30.300 -0.019 0.000 0.861 51 R HN 0.236 nan 8.270 nan 0.000 0.440 52 S N 0.571 116.295 115.700 0.041 0.000 2.365 52 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 52 S C 1.862 176.467 174.600 0.008 0.000 1.039 52 S CA 1.441 59.653 58.200 0.019 0.000 1.033 52 S CB -0.027 63.182 63.200 0.014 0.000 0.887 52 S HN 0.311 nan 8.310 nan 0.000 0.447 53 R N -0.327 120.160 120.500 -0.021 0.000 2.115 53 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 53 R C 2.557 178.838 176.300 -0.033 0.000 1.100 53 R CA 1.292 57.364 56.100 -0.047 0.000 0.980 53 R CB -0.757 29.478 30.300 -0.108 0.000 0.875 53 R HN 0.433 nan 8.270 nan 0.000 0.445 54 C N 0.543 119.824 119.300 -0.030 0.000 2.436 54 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 54 C C 2.640 177.664 174.990 0.057 0.000 1.241 54 C CA 0.817 59.852 59.018 0.028 0.000 1.721 54 C CB -0.745 27.052 27.740 0.095 0.000 2.043 54 C HN 0.448 nan 8.230 nan 0.000 0.472 55 R N 1.037 121.567 120.500 0.050 0.000 2.075 55 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 55 R C 2.244 178.573 176.300 0.049 0.000 1.126 55 R CA 1.710 57.839 56.100 0.049 0.000 0.963 55 R CB -0.370 29.950 30.300 0.035 0.000 0.858 55 R HN 0.773 nan 8.270 nan 0.000 0.435 56 E N -0.294 119.930 120.200 0.040 0.000 2.152 56 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 56 E C 1.244 177.885 176.600 0.068 0.000 0.983 56 E CA 1.442 57.865 56.400 0.039 0.000 0.818 56 E CB -0.166 29.547 29.700 0.022 0.000 0.758 56 E HN 0.115 nan 8.360 nan 0.000 0.467 57 T N 1.316 115.929 114.554 0.098 0.000 2.777 57 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 57 T C 2.120 176.961 174.700 0.236 0.000 1.040 57 T CA 1.284 63.497 62.100 0.189 0.000 1.141 57 T CB -0.278 68.681 68.868 0.152 0.000 0.868 57 T HN 0.385 nan 8.240 nan 0.000 0.444 58 A N 1.781 124.693 122.820 0.153 0.000 1.883 58 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 58 A C 2.674 180.336 177.584 0.129 0.000 1.186 58 A CA 2.045 54.169 52.037 0.145 0.000 0.624 58 A CB -1.260 17.802 19.000 0.104 0.000 0.822 58 A HN 0.515 nan 8.150 nan 0.000 0.444 59 A N -0.278 122.592 122.820 0.084 0.000 1.877 59 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 59 A C 2.533 180.126 177.584 0.016 0.000 1.186 59 A CA 2.276 54.340 52.037 0.045 0.000 0.620 59 A CB -1.100 17.914 19.000 0.023 0.000 0.822 59 A HN 1.151 nan 8.150 nan 0.000 0.443 60 A N -1.477 121.345 122.820 0.004 0.000 1.933 60 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 60 A C 1.688 179.091 177.584 -0.300 0.000 1.175 60 A CA 1.386 53.330 52.037 -0.154 0.000 0.628 60 A CB -0.638 18.244 19.000 -0.197 0.000 0.814 60 A HN 0.491 nan 8.150 nan 0.000 0.444 61 F N -0.978 118.964 119.950 -0.014 0.000 2.732 61 F HA 0.361 4.888 4.527 0.000 0.000 0.303 61 F C 1.862 177.659 175.800 -0.005 0.000 1.110 61 F CA 0.717 58.706 58.000 -0.019 0.000 1.355 61 F CB 0.379 39.366 39.000 -0.022 0.000 1.081 61 F HN 0.397 nan 8.300 nan 0.000 0.565 62 G N -0.244 108.613 108.800 0.095 0.000 2.268 62 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.240 62 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.240 62 G C 0.365 175.312 174.900 0.078 0.000 1.010 62 G CA 0.147 45.285 45.100 0.063 0.000 0.618 62 G HN 0.522 nan 8.290 nan 0.000 0.516 63 S N -1.884 113.884 115.700 0.113 0.000 2.586 63 S HA 0.548 5.017 4.470 -0.000 0.000 0.277 63 S C 1.184 175.857 174.600 0.122 0.000 1.131 63 S CA 0.669 58.929 58.200 0.100 0.000 0.848 63 S CB 0.714 63.966 63.200 0.085 0.000 1.091 63 S HN 1.591 nan 8.310 nan 0.000 0.453 64 G N 1.918 110.782 108.800 0.107 0.000 2.475 64 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.220 64 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.220 64 G C 1.541 176.523 174.900 0.136 0.000 1.125 64 G CA 1.247 46.418 45.100 0.119 0.000 0.755 64 G HN 1.200 nan 8.290 nan 0.000 0.565 65 A N 0.876 123.770 122.820 0.124 0.000 2.076 65 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 65 A C 2.016 179.731 177.584 0.217 0.000 1.160 65 A CA 1.583 53.705 52.037 0.142 0.000 0.653 65 A CB -0.426 18.642 19.000 0.112 0.000 0.801 65 A HN 0.548 nan 8.150 nan 0.000 0.455 66 N N -1.174 117.627 118.700 0.168 0.000 2.336 66 N HA 0.187 4.926 4.740 -0.000 0.000 0.189 66 N C -0.882 174.645 175.510 0.030 0.000 1.113 66 N CA -0.059 53.052 53.050 0.101 0.000 0.858 66 N CB 0.760 39.310 38.487 0.106 0.000 0.970 66 N HN 0.202 nan 8.380 nan 0.000 0.471 67 V N 1.436 121.457 119.914 0.178 0.000 2.409 67 V HA 0.194 4.314 4.120 -0.000 0.000 0.290 67 V C -0.810 175.472 176.094 0.313 0.000 1.017 67 V CA -0.719 61.644 62.300 0.106 0.000 0.841 67 V CB 1.138 33.003 31.823 0.070 0.000 1.003 67 V HN 0.234 nan 8.190 nan 0.000 0.426 68 H N 4.402 123.471 119.070 -0.000 0.000 2.638 68 H HA 0.287 4.843 4.556 -0.001 0.000 0.303 68 H C -1.007 174.355 175.328 0.057 0.000 1.034 68 H CA -0.649 55.425 56.048 0.043 0.000 1.225 68 H CB 1.534 31.308 29.762 0.020 0.000 1.394 68 H HN 0.692 nan 8.280 nan 0.000 0.477 69 Y N 2.832 123.176 120.300 0.073 0.000 2.465 69 Y HA 0.195 4.745 4.550 0.001 0.000 0.331 69 Y C -0.244 175.655 175.900 -0.001 0.000 1.102 69 Y CA -1.012 57.106 58.100 0.030 0.000 1.358 69 Y CB 0.461 38.950 38.460 0.047 0.000 1.213 69 Y HN 0.653 nan 8.280 nan 0.000 0.525 70 A N 7.205 129.605 122.820 -0.700 0.000 2.527 70 A HA 0.623 4.942 4.320 -0.000 0.000 0.313 70 A C 0.495 177.496 177.584 -0.970 0.000 1.410 70 A CA -0.061 51.612 52.037 -0.606 0.000 1.060 70 A CB -1.174 17.618 19.000 -0.347 0.000 1.137 70 A HN 1.098 nan 8.150 nan 0.000 0.542 74 F N -0.296 119.606 119.950 -0.080 0.000 2.655 74 F HA 0.596 5.122 4.527 -0.000 0.000 0.324 74 F C -2.563 173.283 175.800 0.077 0.000 1.081 74 F CA -1.060 56.944 58.000 0.007 0.000 1.088 74 F CB 1.240 40.251 39.000 0.019 0.000 1.327 74 F HN 0.382 nan 8.300 nan 0.000 0.522 75 L N 7.576 128.464 121.223 -0.559 0.000 2.431 75 L HA 0.918 5.258 4.340 -0.000 0.000 0.266 75 L C -1.149 175.272 176.870 -0.748 0.000 0.978 75 L CA -0.409 54.106 54.840 -0.542 0.000 0.822 75 L CB 1.625 43.548 42.059 -0.227 0.000 1.310 75 L HN 1.004 nan 8.230 nan 0.000 0.409 76 C N 0.425 119.307 119.300 -0.696 0.000 3.332 76 C HA 0.578 5.038 4.460 -0.000 0.000 0.329 76 C C 1.489 176.268 174.990 -0.352 0.000 1.434 76 C CA -0.040 58.690 59.018 -0.479 0.000 1.314 76 C CB 1.078 28.489 27.740 -0.548 0.000 1.664 76 C HN 0.786 nan 8.230 nan 0.000 0.457 77 S N 0.190 115.759 115.700 -0.218 0.000 2.383 77 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 77 S C 1.661 176.107 174.600 -0.256 0.000 1.030 77 S CA 2.389 60.502 58.200 -0.146 0.000 1.002 77 S CB -0.420 62.766 63.200 -0.025 0.000 0.829 77 S HN 0.926 nan 8.310 nan 0.000 0.467 78 E N 1.119 121.088 120.200 -0.385 0.000 2.051 78 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 78 E C 1.920 177.904 176.600 -1.027 0.000 0.991 78 E CA 1.176 57.219 56.400 -0.595 0.000 0.799 78 E CB -0.411 28.926 29.700 -0.606 0.000 0.748 78 E HN 0.245 nan 8.360 nan 0.000 0.449 79 V N 0.883 120.195 119.914 -1.004 0.000 2.343 79 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 79 V C 2.375 178.222 176.094 -0.412 0.000 1.051 79 V CA 1.760 63.488 62.300 -0.953 0.000 1.036 79 V CB -1.019 30.364 31.823 -0.733 0.000 0.654 79 V HN 0.468 nan 8.190 nan 0.000 0.451 80 A N -0.210 122.463 122.820 -0.245 0.000 1.903 80 A HA -0.324 3.995 4.320 -0.000 0.000 0.219 80 A C 2.376 180.069 177.584 0.182 0.000 1.191 80 A CA 2.362 54.413 52.037 0.023 0.000 0.638 80 A CB -0.628 18.397 19.000 0.042 0.000 0.823 80 A HN 0.495 nan 8.150 nan 0.000 0.451 81 R N -1.705 118.799 120.500 0.007 0.000 2.091 81 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 81 R C 2.045 178.465 176.300 0.200 0.000 1.136 81 R CA 1.718 57.854 56.100 0.061 0.000 0.959 81 R CB -0.279 30.018 30.300 -0.006 0.000 0.856 81 R HN 0.779 nan 8.270 nan 0.000 0.437 82 W N 0.576 121.833 121.300 -0.072 0.000 2.378 82 W HA -0.103 4.557 4.660 -0.000 0.000 0.313 82 W C 1.978 178.520 176.519 0.038 0.000 1.197 82 W CA 0.075 57.368 57.345 -0.087 0.000 1.304 82 W CB -1.004 28.279 29.460 -0.295 0.000 1.148 82 W HN 0.018 nan 8.180 nan 0.000 0.494 83 I N 0.344 121.119 120.570 0.342 0.000 2.185 83 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 83 I C 2.595 178.930 176.117 0.364 0.000 1.088 83 I CA 2.061 63.574 61.300 0.354 0.000 1.347 83 I CB -1.921 36.277 38.000 0.330 0.000 1.041 83 I HN 0.001 nan 8.210 nan 0.000 0.415 84 S N 0.339 116.243 115.700 0.341 0.000 2.348 84 S HA -0.207 4.263 4.470 -0.000 0.000 0.221 84 S C 1.898 176.493 174.600 -0.007 0.000 1.033 84 S CA 1.601 59.789 58.200 -0.021 0.000 1.010 84 S CB -0.134 62.902 63.200 -0.273 0.000 0.891 84 S HN 0.504 nan 8.310 nan 0.000 0.442 85 E N 0.378 120.608 120.200 0.049 0.000 2.160 85 E HA -0.116 4.233 4.350 -0.000 0.000 0.195 85 E C 1.873 178.502 176.600 0.048 0.000 0.991 85 E CA 1.171 57.592 56.400 0.035 0.000 0.810 85 E CB -0.058 29.669 29.700 0.044 0.000 0.742 85 E HN 0.456 nan 8.360 nan 0.000 0.466 86 E N -0.539 119.719 120.200 0.096 0.000 2.511 86 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 86 E C 1.147 177.801 176.600 0.091 0.000 1.066 86 E CA 0.682 57.140 56.400 0.097 0.000 0.871 86 E CB 0.469 30.254 29.700 0.142 0.000 0.863 86 E HN 0.389 nan 8.360 nan 0.000 0.520 87 G N 1.141 109.991 108.800 0.082 0.000 2.143 87 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 87 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 87 G C 0.318 175.282 174.900 0.108 0.000 0.991 87 G CA 0.341 45.482 45.100 0.068 0.000 0.689 87 G HN 0.194 nan 8.290 nan 0.000 0.522 88 L N -0.669 120.651 121.223 0.163 0.000 2.454 88 L HA 0.530 4.870 4.340 -0.000 0.000 0.256 88 L C 1.315 178.333 176.870 0.246 0.000 1.136 88 L CA -0.879 54.076 54.840 0.191 0.000 0.804 88 L CB 0.783 42.968 42.059 0.210 0.000 1.181 88 L HN 0.224 nan 8.230 nan 0.000 0.469 89 C N 1.103 120.492 119.300 0.149 0.000 2.403 89 C HA 0.593 5.053 4.460 -0.000 0.000 0.361 89 C C 0.159 175.164 174.990 0.024 0.000 1.274 89 C CA -0.466 58.577 59.018 0.042 0.000 2.433 89 C CB 1.237 28.669 27.740 -0.513 0.000 2.323 89 C HN 0.506 nan 8.230 nan 0.000 0.614 90 L N 1.686 122.818 121.223 -0.151 0.000 2.409 90 L HA 0.541 4.881 4.340 -0.000 0.000 0.272 90 L C -1.314 175.437 176.870 -0.198 0.000 0.980 90 L CA 0.170 54.834 54.840 -0.293 0.000 0.826 90 L CB 1.380 42.892 42.059 -0.913 0.000 1.268 90 L HN 0.562 nan 8.230 nan 0.000 0.407 91 D N 3.693 124.026 120.400 -0.112 0.000 2.233 91 D HA 0.557 5.197 4.640 -0.000 0.000 0.240 91 D C -0.587 175.672 176.300 -0.068 0.000 1.074 91 D CA 0.220 54.212 54.000 -0.015 0.000 0.838 91 D CB 1.850 42.691 40.800 0.069 0.000 1.124 91 D HN 0.421 nan 8.370 nan 0.000 0.475 92 V N -0.223 119.675 119.914 -0.026 0.000 2.864 92 V HA 0.533 4.653 4.120 -0.000 0.000 0.314 92 V C 0.366 176.466 176.094 0.010 0.000 1.073 92 V CA -0.701 61.572 62.300 -0.046 0.000 0.956 92 V CB 1.592 33.371 31.823 -0.072 0.000 1.023 92 V HN 0.679 nan 8.190 nan 0.000 0.435 93 C N 2.310 121.612 119.300 0.003 0.000 2.735 93 C HA 0.505 4.965 4.460 -0.000 0.000 0.444 93 C C 1.213 176.224 174.990 0.034 0.000 1.331 93 C CA 1.259 60.300 59.018 0.037 0.000 2.225 93 C CB -0.248 27.507 27.740 0.025 0.000 2.917 93 C HN 1.263 nan 8.230 nan 0.000 0.567 94 T N -2.891 111.672 114.554 0.014 0.000 2.724 94 T HA 0.534 4.884 4.350 -0.000 0.000 0.274 94 T C 1.270 175.969 174.700 -0.001 0.000 0.984 94 T CA 0.494 62.601 62.100 0.012 0.000 1.024 94 T CB 0.666 69.543 68.868 0.014 0.000 1.320 94 T HN 0.237 nan 8.240 nan 0.000 0.555 95 G N -0.151 108.648 108.800 -0.002 0.000 2.422 95 G HA2 0.067 4.027 3.960 -0.000 0.000 0.218 95 G HA3 0.067 4.027 3.960 -0.000 0.000 0.218 95 G C 1.510 176.403 174.900 -0.010 0.000 1.146 95 G CA 0.823 45.920 45.100 -0.006 0.000 0.769 95 G HN 1.061 nan 8.290 nan 0.000 0.547 96 G N 0.485 109.278 108.800 -0.012 0.000 2.418 96 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 96 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 96 G C 1.621 176.505 174.900 -0.027 0.000 1.158 96 G CA 1.078 46.167 45.100 -0.019 0.000 0.771 96 G HN 0.520 nan 8.290 nan 0.000 0.545 97 E N -0.401 119.782 120.200 -0.029 0.000 2.072 97 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 97 E C 2.398 178.970 176.600 -0.047 0.000 0.985 97 E CA 0.681 57.053 56.400 -0.047 0.000 0.801 97 E CB -0.165 29.503 29.700 -0.053 0.000 0.750 97 E HN 0.339 nan 8.360 nan 0.000 0.452 98 L N 1.229 122.433 121.223 -0.032 0.000 1.989 98 L HA -0.171 4.168 4.340 -0.000 0.000 0.211 98 L C 2.260 179.128 176.870 -0.003 0.000 1.071 98 L CA 2.210 57.037 54.840 -0.022 0.000 0.749 98 L CB -0.738 41.313 42.059 -0.014 0.000 0.890 98 L HN 0.039 nan 8.230 nan 0.000 0.431 99 A N -0.961 121.858 122.820 -0.002 0.000 1.917 99 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 99 A C 2.260 179.865 177.584 0.035 0.000 1.182 99 A CA 2.467 54.511 52.037 0.012 0.000 0.633 99 A CB -1.274 17.723 19.000 -0.006 0.000 0.819 99 A HN 0.372 nan 8.150 nan 0.000 0.448 100 V N -0.357 119.560 119.914 0.005 0.000 2.307 100 V HA -0.192 3.927 4.120 -0.000 0.000 0.245 100 V C 3.053 179.175 176.094 0.048 0.000 1.045 100 V CA 1.768 64.077 62.300 0.016 0.000 1.024 100 V CB -1.379 30.416 31.823 -0.047 0.000 0.651 100 V HN 0.642 nan 8.190 nan 0.000 0.449 101 A N 0.040 122.863 122.820 0.004 0.000 1.884 101 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 101 A C 2.141 179.787 177.584 0.104 0.000 1.197 101 A CA 2.150 54.201 52.037 0.024 0.000 0.637 101 A CB -0.681 18.285 19.000 -0.057 0.000 0.827 101 A HN 0.402 nan 8.150 nan 0.000 0.450 102 L N -0.740 120.533 121.223 0.085 0.000 2.093 102 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 102 L C 2.408 179.320 176.870 0.069 0.000 1.085 102 L CA 2.126 57.013 54.840 0.079 0.000 0.755 102 L CB -1.270 40.824 42.059 0.059 0.000 0.904 102 L HN 0.680 nan 8.230 nan 0.000 0.435 103 H N -0.259 118.814 119.070 0.004 0.000 2.387 103 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 103 H C 1.530 176.855 175.328 -0.006 0.000 1.099 103 H CA 1.449 57.492 56.048 -0.007 0.000 1.315 103 H CB 0.480 30.229 29.762 -0.021 0.000 1.380 103 H HN 0.307 nan 8.280 nan 0.000 0.513 104 A N -0.050 122.735 122.820 -0.058 0.000 2.278 104 A HA 0.152 4.472 4.320 -0.000 0.000 0.212 104 A C 1.129 178.682 177.584 -0.051 0.000 1.213 104 A CA 0.651 52.637 52.037 -0.085 0.000 0.840 104 A CB -0.110 18.897 19.000 0.011 0.000 0.866 104 A HN 0.413 nan 8.150 nan 0.000 0.489 105 S N -1.768 113.904 115.700 -0.046 0.000 3.641 105 S HA -0.204 4.266 4.470 -0.000 0.000 0.346 105 S C -0.026 174.569 174.600 -0.008 0.000 1.074 105 S CA 0.651 58.832 58.200 -0.033 0.000 1.026 105 S CB -2.258 60.898 63.200 -0.075 0.000 0.908 105 S HN 0.705 nan 8.310 nan 0.000 0.479 106 F N 2.890 122.815 119.950 -0.042 0.000 2.538 106 F HA 0.329 4.856 4.527 0.000 0.000 0.371 106 F C -1.929 173.858 175.800 -0.022 0.000 1.087 106 F CA -1.777 56.207 58.000 -0.026 0.000 1.250 106 F CB 0.391 39.380 39.000 -0.018 0.000 1.110 106 F HN -0.069 nan 8.300 nan 0.000 0.570 107 P HA 0.063 nan 4.420 nan 0.000 0.264 107 P C -2.228 175.119 177.300 0.078 0.000 1.229 107 P CA -0.870 62.139 63.100 -0.151 0.000 0.780 107 P CB 0.434 31.969 31.700 -0.275 0.000 0.808 108 P HA -0.201 nan 4.420 nan 0.000 0.218 108 P C 1.457 178.800 177.300 0.071 0.000 1.148 108 P CA 1.257 64.416 63.100 0.098 0.000 0.822 108 P CB -0.174 31.551 31.700 0.042 0.000 0.784 109 E N 0.869 121.088 120.200 0.033 0.000 2.267 109 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 109 E C 1.180 177.819 176.600 0.065 0.000 0.998 109 E CA 1.243 57.652 56.400 0.015 0.000 0.830 109 E CB -0.669 29.028 29.700 -0.005 0.000 0.751 109 E HN 0.301 nan 8.360 nan 0.000 0.491 110 R N 0.332 120.906 120.500 0.123 0.000 2.466 110 R HA 0.409 4.749 4.340 -0.000 0.000 0.279 110 R C 0.191 176.615 176.300 0.207 0.000 0.976 110 R CA -0.158 56.049 56.100 0.177 0.000 1.081 110 R CB 0.367 30.798 30.300 0.219 0.000 1.215 110 R HN 0.142 nan 8.270 nan 0.000 0.546 111 I N 0.292 120.952 120.570 0.149 0.000 2.460 111 I HA 0.231 4.401 4.170 -0.000 0.000 0.298 111 I C -0.061 176.073 176.117 0.028 0.000 0.989 111 I CA -0.408 60.919 61.300 0.045 0.000 1.173 111 I CB 2.247 40.273 38.000 0.044 0.000 1.338 111 I HN -0.099 nan 8.210 nan 0.000 0.456 112 T N 6.437 120.982 114.554 -0.016 0.000 2.824 112 T HA 0.447 4.797 4.350 -0.000 0.000 0.282 112 T C -0.776 173.866 174.700 -0.095 0.000 0.993 112 T CA -0.411 61.675 62.100 -0.025 0.000 0.967 112 T CB 1.640 70.510 68.868 0.004 0.000 0.960 112 T HN 0.220 nan 8.240 nan 0.000 0.441 113 L N 4.669 125.808 121.223 -0.140 0.000 2.282 113 L HA 0.491 4.831 4.340 -0.000 0.000 0.288 113 L C -0.452 176.264 176.870 -0.257 0.000 1.033 113 L CA -0.129 54.635 54.840 -0.127 0.000 0.807 113 L CB 0.330 42.350 42.059 -0.066 0.000 1.209 113 L HN 0.639 nan 8.230 nan 0.000 0.423 114 H N 3.200 122.228 119.070 -0.070 0.000 2.676 114 H HA 0.887 5.442 4.556 -0.001 0.000 0.352 114 H C -0.188 175.128 175.328 -0.019 0.000 1.193 114 H CA -0.254 55.740 56.048 -0.090 0.000 1.243 114 H CB 2.126 31.792 29.762 -0.159 0.000 1.751 114 H HN 0.828 nan 8.280 nan 0.000 0.567 115 G N 0.331 109.247 108.800 0.193 0.000 2.306 115 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.340 115 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.340 115 G C 0.146 175.188 174.900 0.236 0.000 1.630 115 G CA -0.282 44.954 45.100 0.227 0.000 0.937 115 G HN 0.740 nan 8.290 nan 0.000 0.693 116 N N -0.116 118.741 118.700 0.263 0.000 2.457 116 N HA -0.016 4.724 4.740 -0.000 0.000 0.180 116 N C 0.759 176.277 175.510 0.013 0.000 1.050 116 N CA 1.059 54.157 53.050 0.081 0.000 0.906 116 N CB 0.349 38.685 38.487 -0.253 0.000 0.968 116 N HN 0.489 nan 8.380 nan 0.000 0.445 117 N N -0.019 118.695 118.700 0.023 0.000 2.646 117 N HA 0.080 4.820 4.740 -0.000 0.000 0.296 117 N C -1.282 174.236 175.510 0.014 0.000 1.886 117 N CA -0.379 52.673 53.050 0.003 0.000 0.855 117 N CB 0.253 38.729 38.487 -0.018 0.000 1.336 117 N HN 0.085 nan 8.380 nan 0.000 0.496 118 K N 1.363 121.776 120.400 0.022 0.000 2.447 118 K HA 0.041 4.360 4.320 -0.000 0.000 0.281 118 K C 0.636 177.240 176.600 0.006 0.000 1.031 118 K CA 0.099 56.395 56.287 0.015 0.000 1.019 118 K CB 0.758 33.267 32.500 0.014 0.000 0.918 118 K HN 0.352 nan 8.250 nan 0.000 0.476 119 S N 1.149 116.851 115.700 0.003 0.000 2.614 119 S HA 0.069 4.539 4.470 -0.000 0.000 0.265 119 S C 1.498 176.097 174.600 -0.002 0.000 1.303 119 S CA -1.008 57.191 58.200 -0.001 0.000 1.000 119 S CB 1.299 64.498 63.200 -0.002 0.000 0.935 119 S HN 0.324 nan 8.310 nan 0.000 0.551 120 V N 1.592 121.504 119.914 -0.004 0.000 2.324 120 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 120 V C 2.967 179.056 176.094 -0.007 0.000 1.060 120 V CA 2.502 64.799 62.300 -0.005 0.000 1.042 120 V CB -1.217 30.603 31.823 -0.006 0.000 0.650 120 V HN 1.076 nan 8.190 nan 0.000 0.450 121 S N -0.681 115.016 115.700 -0.006 0.000 2.382 121 S HA -0.246 4.224 4.470 -0.000 0.000 0.228 121 S C 1.901 176.497 174.600 -0.006 0.000 1.027 121 S CA 2.048 60.244 58.200 -0.006 0.000 0.991 121 S CB -0.244 62.952 63.200 -0.006 0.000 0.823 121 S HN 0.755 nan 8.310 nan 0.000 0.469 122 E N 0.675 120.872 120.200 -0.005 0.000 2.072 122 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 122 E C 2.207 178.802 176.600 -0.008 0.000 0.982 122 E CA 1.186 57.583 56.400 -0.005 0.000 0.803 122 E CB -0.287 29.412 29.700 -0.002 0.000 0.755 122 E HN 0.469 nan 8.360 nan 0.000 0.453 123 L N 0.826 122.044 121.223 -0.008 0.000 2.013 123 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 123 L C 2.603 179.465 176.870 -0.013 0.000 1.073 123 L CA 1.483 56.317 54.840 -0.011 0.000 0.753 123 L CB -0.768 41.286 42.059 -0.009 0.000 0.890 123 L HN 0.211 nan 8.230 nan 0.000 0.432 124 T N -0.293 114.254 114.554 -0.013 0.000 2.746 124 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 124 T C 1.922 176.614 174.700 -0.014 0.000 1.039 124 T CA 1.356 63.447 62.100 -0.015 0.000 1.142 124 T CB -0.213 68.647 68.868 -0.014 0.000 0.866 124 T HN 0.464 nan 8.240 nan 0.000 0.444 125 A N 1.110 123.923 122.820 -0.010 0.000 1.969 125 A HA 0.287 4.607 4.320 -0.000 0.000 0.218 125 A C 2.575 180.154 177.584 -0.008 0.000 1.169 125 A CA 1.578 53.610 52.037 -0.008 0.000 0.635 125 A CB -0.865 18.131 19.000 -0.005 0.000 0.810 125 A HN 0.492 nan 8.150 nan 0.000 0.445 126 A N -0.374 122.440 122.820 -0.011 0.000 1.873 126 A HA 0.015 4.334 4.320 -0.000 0.000 0.215 126 A C 2.347 179.921 177.584 -0.017 0.000 1.186 126 A CA 1.845 53.873 52.037 -0.014 0.000 0.616 126 A CB -1.043 17.946 19.000 -0.018 0.000 0.823 126 A HN 1.101 nan 8.150 nan 0.000 0.442 127 V N -0.294 119.609 119.914 -0.020 0.000 2.591 127 V HA -0.121 3.999 4.120 -0.000 0.000 0.249 127 V C 2.125 178.207 176.094 -0.021 0.000 1.053 127 V CA 2.498 64.784 62.300 -0.023 0.000 1.068 127 V CB -0.550 31.257 31.823 -0.026 0.000 0.689 127 V HN 0.550 nan 8.190 nan 0.000 0.462 128 K N 0.539 120.929 120.400 -0.017 0.000 2.057 128 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 128 K C 2.064 178.657 176.600 -0.011 0.000 1.049 128 K CA 1.700 57.979 56.287 -0.015 0.000 0.931 128 K CB -0.455 32.038 32.500 -0.012 0.000 0.714 128 K HN 0.601 nan 8.250 nan 0.000 0.440 129 A N 0.215 123.030 122.820 -0.007 0.000 2.119 129 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 129 A C 1.295 178.877 177.584 -0.005 0.000 1.153 129 A CA 1.251 53.287 52.037 -0.002 0.000 0.692 129 A CB -0.496 18.508 19.000 0.006 0.000 0.799 129 A HN 0.563 nan 8.150 nan 0.000 0.458 130 G N -1.060 107.732 108.800 -0.014 0.000 2.182 130 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 130 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 130 G C 0.149 175.034 174.900 -0.026 0.000 1.042 130 G CA 0.054 45.141 45.100 -0.022 0.000 0.775 130 G HN 0.845 nan 8.290 nan 0.000 0.501 131 V N 0.407 120.309 119.914 -0.021 0.000 2.625 131 V HA 0.247 4.367 4.120 -0.000 0.000 0.305 131 V C 2.184 178.237 176.094 -0.069 0.000 1.055 131 V CA 1.517 63.804 62.300 -0.023 0.000 1.209 131 V CB 0.556 32.368 31.823 -0.018 0.000 0.877 131 V HN 0.725 nan 8.190 nan 0.000 0.489 132 G N 4.314 113.065 108.800 -0.081 0.000 2.446 132 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 132 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 132 G C 0.385 174.970 174.900 -0.525 0.000 1.168 132 G CA 0.699 45.641 45.100 -0.263 0.000 0.771 132 G HN 0.785 nan 8.290 nan 0.000 0.551 133 H N -1.867 117.190 119.070 -0.021 0.000 2.851 133 H HA 0.643 5.198 4.556 -0.001 0.000 0.372 133 H C -0.953 174.326 175.328 -0.081 0.000 1.158 133 H CA -0.813 55.213 56.048 -0.038 0.000 1.159 133 H CB 2.242 31.991 29.762 -0.023 0.000 1.757 133 H HN 0.031 nan 8.280 nan 0.000 0.546 134 I N 2.080 122.671 120.570 0.036 0.000 2.466 134 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 134 I C -0.681 175.383 176.117 -0.089 0.000 1.026 134 I CA -1.087 60.180 61.300 -0.056 0.000 1.078 134 I CB 2.151 40.127 38.000 -0.041 0.000 1.249 134 I HN 0.247 nan 8.210 nan 0.000 0.429 135 V N 6.747 126.530 119.914 -0.218 0.000 2.353 135 V HA 0.127 4.247 4.120 -0.000 0.000 0.264 135 V C 0.416 176.447 176.094 -0.104 0.000 1.049 135 V CA -0.704 61.469 62.300 -0.211 0.000 0.896 135 V CB 0.954 32.508 31.823 -0.449 0.000 1.025 135 V HN 0.535 nan 8.190 nan 0.000 0.475 136 V N 1.582 121.470 119.914 -0.044 0.000 2.715 136 V HA 0.386 4.506 4.120 -0.000 0.000 0.299 136 V C 0.473 176.583 176.094 0.027 0.000 1.054 136 V CA 0.142 62.438 62.300 -0.007 0.000 1.077 136 V CB 1.356 33.175 31.823 -0.007 0.000 0.972 136 V HN 0.780 nan 8.190 nan 0.000 0.484 137 D N 1.740 122.170 120.400 0.049 0.000 2.474 137 D HA 0.247 4.887 4.640 -0.000 0.000 0.213 137 D C 0.404 176.741 176.300 0.063 0.000 1.120 137 D CA 0.896 54.950 54.000 0.090 0.000 0.836 137 D CB 0.570 41.455 40.800 0.142 0.000 1.019 137 D HN 1.062 nan 8.370 nan 0.000 0.507 138 S N -1.536 114.185 115.700 0.036 0.000 2.567 138 S HA 0.223 4.693 4.470 -0.000 0.000 0.270 138 S C 0.617 175.226 174.600 0.015 0.000 1.152 138 S CA -0.755 57.459 58.200 0.024 0.000 0.835 138 S CB 1.036 64.246 63.200 0.017 0.000 1.115 138 S HN -0.209 nan 8.310 nan 0.000 0.459 139 M N 1.512 121.120 119.600 0.012 0.000 2.117 139 M HA -0.030 4.450 4.480 -0.000 0.000 0.262 139 M C 2.127 178.433 176.300 0.010 0.000 1.065 139 M CA 2.145 57.451 55.300 0.010 0.000 1.114 139 M CB -2.323 30.283 32.600 0.011 0.000 1.361 139 M HN 0.928 nan 8.290 nan 0.000 0.408 140 T N -0.069 114.490 114.554 0.009 0.000 2.720 140 T HA -0.193 4.156 4.350 -0.000 0.000 0.268 140 T C 1.797 176.502 174.700 0.008 0.000 1.037 140 T CA 1.650 63.754 62.100 0.008 0.000 1.144 140 T CB -0.274 68.597 68.868 0.004 0.000 0.864 140 T HN 0.489 nan 8.240 nan 0.000 0.444 141 E N 0.665 120.871 120.200 0.009 0.000 2.051 141 E HA -0.122 4.227 4.350 -0.000 0.000 0.192 141 E C 2.181 178.785 176.600 0.008 0.000 0.991 141 E CA 1.002 57.407 56.400 0.008 0.000 0.799 141 E CB -0.240 29.467 29.700 0.012 0.000 0.748 141 E HN 0.506 nan 8.360 nan 0.000 0.449 142 I N 0.738 121.313 120.570 0.008 0.000 2.163 142 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 142 I C 2.535 178.662 176.117 0.017 0.000 1.085 142 I CA 1.246 62.552 61.300 0.009 0.000 1.347 142 I CB -0.256 37.746 38.000 0.003 0.000 1.044 142 I HN 0.124 nan 8.210 nan 0.000 0.408 143 E N 1.157 121.368 120.200 0.018 0.000 2.038 143 E HA -0.224 4.125 4.350 -0.000 0.000 0.195 143 E C 2.260 178.872 176.600 0.021 0.000 1.000 143 E CA 1.610 58.023 56.400 0.022 0.000 0.803 143 E CB -0.065 29.646 29.700 0.018 0.000 0.750 143 E HN 0.283 nan 8.360 nan 0.000 0.448 144 R N -0.217 120.291 120.500 0.013 0.000 2.081 144 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 144 R C 2.563 178.867 176.300 0.006 0.000 1.131 144 R CA 1.255 57.359 56.100 0.007 0.000 0.960 144 R CB -0.477 29.825 30.300 0.003 0.000 0.856 144 R HN 0.235 nan 8.270 nan 0.000 0.436 145 L N 0.719 121.947 121.223 0.009 0.000 2.056 145 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 145 L C 1.917 178.798 176.870 0.019 0.000 1.078 145 L CA 1.774 56.619 54.840 0.007 0.000 0.749 145 L CB -0.366 41.697 42.059 0.007 0.000 0.901 145 L HN 0.207 nan 8.230 nan 0.000 0.433 146 D N -0.315 120.110 120.400 0.042 0.000 2.116 146 D HA -0.237 4.403 4.640 -0.000 0.000 0.193 146 D C 2.129 178.466 176.300 0.061 0.000 0.998 146 D CA 1.645 55.698 54.000 0.089 0.000 0.836 146 D CB 0.128 40.995 40.800 0.113 0.000 0.951 146 D HN 0.371 nan 8.370 nan 0.000 0.449 147 A N -0.042 122.794 122.820 0.028 0.000 1.908 147 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 147 A C 2.401 179.946 177.584 -0.065 0.000 1.181 147 A CA 1.443 53.471 52.037 -0.015 0.000 0.627 147 A CB -0.838 18.160 19.000 -0.003 0.000 0.818 147 A HN 0.415 nan 8.150 nan 0.000 0.445 148 I N -0.417 120.127 120.570 -0.044 0.000 2.252 148 I HA -0.243 3.926 4.170 -0.000 0.000 0.245 148 I C 2.952 179.020 176.117 -0.082 0.000 1.102 148 I CA 1.012 62.280 61.300 -0.053 0.000 1.385 148 I CB -0.321 37.661 38.000 -0.030 0.000 1.064 148 I HN 0.347 nan 8.210 nan 0.000 0.414 149 A N 0.889 123.663 122.820 -0.076 0.000 1.902 149 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 149 A C 2.438 179.891 177.584 -0.218 0.000 1.181 149 A CA 1.844 53.833 52.037 -0.079 0.000 0.623 149 A CB -1.417 17.589 19.000 0.011 0.000 0.818 149 A HN 0.453 nan 8.150 nan 0.000 0.443 150 G N -0.446 108.042 108.800 -0.520 0.000 2.418 150 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 150 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 150 G C 1.408 176.042 174.900 -0.445 0.000 1.158 150 G CA 0.960 45.381 45.100 -1.131 0.000 0.771 150 G HN 0.649 nan 8.290 nan 0.000 0.545 151 E N 0.477 120.522 120.200 -0.259 0.000 2.118 151 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 151 E C 2.745 179.285 176.600 -0.101 0.000 0.992 151 E CA 0.842 57.160 56.400 -0.136 0.000 0.804 151 E CB -0.148 29.498 29.700 -0.090 0.000 0.741 151 E HN 0.436 nan 8.360 nan 0.000 0.458 152 A N 0.140 122.900 122.820 -0.100 0.000 2.169 152 A HA 0.195 4.514 4.320 -0.000 0.000 0.212 152 A C 1.771 179.322 177.584 -0.054 0.000 1.153 152 A CA 0.868 52.867 52.037 -0.064 0.000 0.756 152 A CB -0.263 18.707 19.000 -0.051 0.000 0.813 152 A HN 0.341 nan 8.150 nan 0.000 0.471 153 G N -0.585 108.170 108.800 -0.074 0.000 2.147 153 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 153 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 153 G C 0.142 175.044 174.900 0.002 0.000 1.005 153 G CA 0.583 45.665 45.100 -0.030 0.000 0.713 153 G HN 1.443 nan 8.290 nan 0.000 0.515 154 I N -2.846 117.722 120.570 -0.004 0.000 2.910 154 I HA 0.872 5.042 4.170 -0.000 0.000 0.310 154 I C 0.038 176.188 176.117 0.055 0.000 1.043 154 I CA -1.751 59.559 61.300 0.016 0.000 1.053 154 I CB 2.281 40.277 38.000 -0.007 0.000 1.242 154 I HN -0.072 nan 8.210 nan 0.000 0.452 155 V N 3.128 123.071 119.914 0.048 0.000 2.370 155 V HA 0.385 4.505 4.120 -0.000 0.000 0.283 155 V C -0.187 175.921 176.094 0.023 0.000 1.023 155 V CA -0.389 61.947 62.300 0.058 0.000 0.857 155 V CB 0.945 32.797 31.823 0.048 0.000 0.985 155 V HN 0.823 nan 8.190 nan 0.000 0.443 156 Q N 3.437 123.253 119.800 0.027 0.000 2.303 156 Q HA 0.292 4.632 4.340 -0.000 0.000 0.257 156 Q C -0.646 175.354 176.000 -0.000 0.000 0.941 156 Q CA -0.244 55.557 55.803 -0.003 0.000 0.931 156 Q CB 0.928 29.667 28.738 0.000 0.000 1.215 156 Q HN 0.710 nan 8.270 nan 0.000 0.437 157 D N 2.677 123.058 120.400 -0.032 0.000 2.425 157 D HA 0.256 4.896 4.640 -0.000 0.000 0.247 157 D C -0.404 175.931 176.300 0.059 0.000 1.147 157 D CA 0.210 54.217 54.000 0.011 0.000 0.879 157 D CB 0.732 41.511 40.800 -0.035 0.000 1.179 157 D HN 0.401 nan 8.370 nan 0.000 0.456 158 V N -0.679 119.287 119.914 0.088 0.000 3.078 158 V HA 0.721 4.841 4.120 -0.000 0.000 0.311 158 V C -0.824 175.305 176.094 0.058 0.000 1.138 158 V CA -1.035 61.304 62.300 0.064 0.000 1.007 158 V CB 1.711 33.543 31.823 0.016 0.000 1.045 158 V HN 0.242 nan 8.190 nan 0.000 0.432 159 L N 1.829 123.064 121.223 0.019 0.000 2.319 159 L HA 0.782 5.122 4.340 -0.000 0.000 0.267 159 L C -0.303 176.561 176.870 -0.010 0.000 1.011 159 L CA -0.690 54.150 54.840 0.000 0.000 0.818 159 L CB 2.148 44.204 42.059 -0.005 0.000 1.316 159 L HN 0.615 nan 8.230 nan 0.000 0.432 160 V N 1.558 121.472 119.914 -0.001 0.000 2.394 160 V HA 0.443 4.563 4.120 -0.000 0.000 0.282 160 V C 0.114 176.250 176.094 0.069 0.000 1.031 160 V CA -0.728 61.577 62.300 0.009 0.000 0.881 160 V CB 1.338 33.145 31.823 -0.028 0.000 0.982 160 V HN 0.635 nan 8.190 nan 0.000 0.451 161 R N 4.747 125.304 120.500 0.095 0.000 2.347 161 R HA 0.528 4.867 4.340 -0.000 0.000 0.304 161 R C -0.999 175.385 176.300 0.139 0.000 1.072 161 R CA -0.185 56.027 56.100 0.186 0.000 0.980 161 R CB 0.365 30.787 30.300 0.203 0.000 0.986 161 R HN 0.692 nan 8.270 nan 0.000 0.448 162 L N 2.638 123.937 121.223 0.127 0.000 2.334 162 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 162 L C -0.010 176.904 176.870 0.072 0.000 1.020 162 L CA -0.876 54.006 54.840 0.070 0.000 0.812 162 L CB 2.299 44.375 42.059 0.028 0.000 1.264 162 L HN 0.607 nan 8.230 nan 0.000 0.439 163 T N 1.057 115.646 114.554 0.059 0.000 2.791 163 T HA 0.344 4.694 4.350 -0.000 0.000 0.288 163 T C 0.450 175.164 174.700 0.023 0.000 0.999 163 T CA -0.401 61.731 62.100 0.054 0.000 0.952 163 T CB 1.194 70.107 68.868 0.075 0.000 0.938 163 T HN 0.480 nan 8.240 nan 0.000 0.444 164 V N 0.892 120.805 119.914 -0.002 0.000 3.477 164 V HA 0.575 4.695 4.120 -0.000 0.000 0.297 164 V C 1.230 177.312 176.094 -0.019 0.000 1.433 164 V CA 0.277 62.567 62.300 -0.015 0.000 1.052 164 V CB -0.191 31.613 31.823 -0.032 0.000 0.895 164 V HN 1.064 nan 8.190 nan 0.000 0.438 165 G N 0.508 109.301 108.800 -0.012 0.000 2.182 165 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.248 165 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.248 165 G C -0.175 174.724 174.900 -0.002 0.000 1.042 165 G CA 0.155 45.251 45.100 -0.005 0.000 0.775 165 G HN 0.942 nan 8.290 nan 0.000 0.501 166 V N -0.087 119.803 119.914 -0.039 0.000 2.487 166 V HA 0.696 4.816 4.120 -0.000 0.000 0.298 166 V C 0.061 176.099 176.094 -0.094 0.000 1.028 166 V CA -0.667 61.591 62.300 -0.069 0.000 0.860 166 V CB 2.017 33.719 31.823 -0.203 0.000 0.991 166 V HN 0.402 nan 8.190 nan 0.000 0.427 167 E N 3.175 123.353 120.200 -0.036 0.000 2.220 167 E HA 0.713 5.063 4.350 -0.000 0.000 0.256 167 E C -0.800 175.726 176.600 -0.123 0.000 0.881 167 E CA -0.528 55.812 56.400 -0.100 0.000 0.766 167 E CB 1.712 31.417 29.700 0.008 0.000 1.187 167 E HN 0.858 nan 8.360 nan 0.000 0.419 168 A N 4.948 127.542 122.820 -0.377 0.000 2.317 168 A HA 0.621 4.941 4.320 -0.000 0.000 0.327 168 A C -1.049 176.099 177.584 -0.726 0.000 1.178 168 A CA -0.487 51.324 52.037 -0.376 0.000 0.817 168 A CB 0.745 19.479 19.000 -0.443 0.000 1.189 168 A HN 0.715 nan 8.150 nan 0.000 0.489 169 H N 0.854 119.830 119.070 -0.157 0.000 2.930 169 H HA 0.427 4.982 4.556 -0.001 0.000 0.371 169 H C 1.055 176.218 175.328 -0.276 0.000 1.169 169 H CA 0.384 56.293 56.048 -0.233 0.000 1.157 169 H CB 1.699 31.343 29.762 -0.197 0.000 1.789 169 H HN 1.185 nan 8.280 nan 0.000 0.547 170 T N -0.288 114.021 114.554 -0.407 0.000 13.618 170 T HA -0.370 3.980 4.350 -0.000 0.000 0.415 170 T C 0.760 175.232 174.700 -0.381 0.000 1.445 170 T CA 1.728 63.407 62.100 -0.701 0.000 2.324 170 T CB -1.125 67.496 68.868 -0.412 0.000 2.756 170 T HN 0.870 nan 8.240 nan 0.000 0.458 171 H N 3.940 123.032 119.070 0.036 0.000 2.487 171 H HA 0.462 5.018 4.556 -0.000 0.000 0.290 171 H C 0.972 176.339 175.328 0.064 0.000 1.081 171 H CA 0.504 56.616 56.048 0.107 0.000 1.116 171 H CB 0.035 29.881 29.762 0.140 0.000 1.560 171 H HN 0.859 nan 8.280 nan 0.000 0.548 172 E N 0.379 120.643 120.200 0.107 0.000 2.456 172 E HA 0.496 4.846 4.350 -0.000 0.000 0.276 172 E C -1.079 175.593 176.600 0.119 0.000 0.981 172 E CA -1.188 55.249 56.400 0.061 0.000 0.814 172 E CB 2.575 32.275 29.700 -0.001 0.000 1.382 172 E HN 0.006 nan 8.360 nan 0.000 0.459 173 F N -1.188 118.733 119.950 -0.049 0.000 2.686 173 F HA 0.715 5.241 4.527 -0.001 0.000 0.311 173 F C -1.906 173.865 175.800 -0.049 0.000 1.128 173 F CA -1.234 56.718 58.000 -0.080 0.000 0.946 173 F CB 1.061 39.981 39.000 -0.133 0.000 1.336 173 F HN 0.367 nan 8.300 nan 0.000 0.457 174 I N 1.949 122.614 120.570 0.158 0.000 2.509 174 I HA 0.513 4.682 4.170 -0.000 0.000 0.293 174 I C -0.623 175.627 176.117 0.223 0.000 1.020 174 I CA -0.808 60.532 61.300 0.067 0.000 1.088 174 I CB 2.155 40.178 38.000 0.039 0.000 1.267 174 I HN 0.759 nan 8.210 nan 0.000 0.430 175 S N 4.195 119.993 115.700 0.165 0.000 2.449 175 S HA 0.716 5.185 4.470 -0.000 0.000 0.310 175 S C -0.358 174.276 174.600 0.056 0.000 1.096 175 S CA -0.425 57.864 58.200 0.149 0.000 1.095 175 S CB 0.851 64.175 63.200 0.206 0.000 1.007 175 S HN 0.698 nan 8.310 nan 0.000 0.474 176 T N 1.552 116.125 114.554 0.031 0.000 2.932 176 T HA 0.734 5.084 4.350 -0.000 0.000 0.289 176 T C 1.144 175.808 174.700 -0.060 0.000 1.039 176 T CA -0.395 61.707 62.100 0.003 0.000 1.024 176 T CB 1.411 70.295 68.868 0.027 0.000 1.090 176 T HN 0.700 nan 8.240 nan 0.000 0.496 177 A N 0.370 123.113 122.820 -0.129 0.000 2.014 177 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 177 A C 0.738 177.893 177.584 -0.716 0.000 1.163 177 A CA 0.650 52.459 52.037 -0.380 0.000 0.652 177 A CB -0.522 18.234 19.000 -0.407 0.000 0.808 177 A HN 0.891 nan 8.150 nan 0.000 0.449 178 H N -0.450 118.634 119.070 0.023 0.000 3.240 178 H HA 0.267 4.824 4.556 0.001 0.000 0.326 178 H C -1.326 174.017 175.328 0.025 0.000 1.015 178 H CA -0.632 55.429 56.048 0.022 0.000 1.504 178 H CB 0.513 30.286 29.762 0.018 0.000 1.754 178 H HN 0.409 nan 8.280 nan 0.000 0.505 179 E N 2.147 122.409 120.200 0.103 0.000 2.299 179 E HA -0.029 4.321 4.350 -0.000 0.000 0.272 179 E C -0.346 176.310 176.600 0.094 0.000 1.043 179 E CA -0.107 56.345 56.400 0.086 0.000 0.895 179 E CB 0.646 30.389 29.700 0.070 0.000 1.011 179 E HN 0.398 nan 8.360 nan 0.000 0.432 180 D N 4.916 125.362 120.400 0.078 0.000 2.518 180 D HA 0.091 4.730 4.640 -0.000 0.000 0.230 180 D C -1.057 175.269 176.300 0.042 0.000 1.138 180 D CA -0.259 53.774 54.000 0.055 0.000 0.964 180 D CB 0.009 40.835 40.800 0.044 0.000 1.011 180 D HN 0.400 nan 8.370 nan 0.000 0.517 181 Q N 0.311 120.137 119.800 0.043 0.000 2.685 181 Q HA 0.307 4.647 4.340 -0.000 0.000 0.301 181 Q C 0.419 176.415 176.000 -0.008 0.000 0.924 181 Q CA -1.012 54.809 55.803 0.030 0.000 0.755 181 Q CB 0.723 29.510 28.738 0.082 0.000 1.470 181 Q HN -0.035 nan 8.270 nan 0.000 0.434 182 K N -0.457 119.879 120.400 -0.106 0.000 2.243 182 K HA 0.172 4.492 4.320 -0.000 0.000 0.201 182 K C -0.474 175.981 176.600 -0.242 0.000 1.051 182 K CA 0.395 56.539 56.287 -0.239 0.000 0.970 182 K CB 0.012 32.271 32.500 -0.402 0.000 0.755 182 K HN 0.309 nan 8.250 nan 0.000 0.465 183 F N 1.979 121.951 119.950 0.037 0.000 2.371 183 F HA 0.433 4.962 4.527 0.003 0.000 0.329 183 F C 1.322 177.155 175.800 0.054 0.000 1.107 183 F CA 0.692 58.721 58.000 0.047 0.000 1.137 183 F CB 0.998 40.036 39.000 0.063 0.000 1.214 183 F HN 0.411 nan 8.300 nan 0.000 0.536 184 G N 1.414 110.388 108.800 0.291 0.000 2.796 184 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.226 184 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.226 184 G C -1.624 173.346 174.900 0.116 0.000 1.381 184 G CA -0.946 44.266 45.100 0.188 0.000 0.867 184 G HN 0.702 nan 8.290 nan 0.000 0.552 185 L N 0.102 121.377 121.223 0.088 0.000 2.385 185 L HA 0.597 4.937 4.340 -0.000 0.000 0.273 185 L C 0.816 177.717 176.870 0.053 0.000 0.990 185 L CA -0.605 54.270 54.840 0.060 0.000 0.821 185 L CB 2.181 44.266 42.059 0.042 0.000 1.279 185 L HN 0.833 nan 8.230 nan 0.000 0.412 186 S N 1.605 117.335 115.700 0.051 0.000 2.481 186 S HA 0.127 4.597 4.470 -0.000 0.000 0.282 186 S C 1.258 175.878 174.600 0.033 0.000 1.243 186 S CA -0.663 57.565 58.200 0.046 0.000 1.078 186 S CB 0.829 64.065 63.200 0.060 0.000 0.916 186 S HN 0.409 nan 8.310 nan 0.000 0.495 187 V N 6.156 126.084 119.914 0.023 0.000 2.252 187 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 187 V C 2.819 178.922 176.094 0.016 0.000 1.056 187 V CA 2.507 64.815 62.300 0.014 0.000 1.022 187 V CB -1.514 30.310 31.823 0.002 0.000 0.641 187 V HN 1.003 nan 8.190 nan 0.000 0.445 188 A N 0.444 123.272 122.820 0.014 0.000 1.972 188 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 188 A C 2.472 180.075 177.584 0.031 0.000 1.169 188 A CA 2.164 54.208 52.037 0.012 0.000 0.635 188 A CB -0.647 18.344 19.000 -0.015 0.000 0.810 188 A HN 0.718 nan 8.150 nan 0.000 0.446 189 S N -2.172 113.555 115.700 0.045 0.000 2.489 189 S HA 0.332 4.802 4.470 -0.000 0.000 0.228 189 S C 1.557 176.182 174.600 0.041 0.000 0.995 189 S CA 1.246 59.479 58.200 0.055 0.000 0.934 189 S CB -0.209 63.032 63.200 0.068 0.000 0.771 189 S HN 1.902 nan 8.310 nan 0.000 0.522 190 G N 0.546 109.366 108.800 0.034 0.000 2.194 190 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.236 190 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.236 190 G C 1.056 175.974 174.900 0.030 0.000 0.987 190 G CA 0.249 45.367 45.100 0.031 0.000 0.635 190 G HN 1.196 nan 8.290 nan 0.000 0.520 191 A N 0.523 123.362 122.820 0.031 0.000 1.933 191 A HA 0.411 4.731 4.320 -0.000 0.000 0.218 191 A C 2.807 180.403 177.584 0.020 0.000 1.175 191 A CA 2.716 54.769 52.037 0.028 0.000 0.628 191 A CB -0.795 18.224 19.000 0.032 0.000 0.814 191 A HN 1.804 nan 8.150 nan 0.000 0.444 192 A N -0.887 121.944 122.820 0.019 0.000 1.877 192 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 192 A C 2.164 179.743 177.584 -0.008 0.000 1.186 192 A CA 2.244 54.284 52.037 0.006 0.000 0.620 192 A CB -0.508 18.497 19.000 0.008 0.000 0.822 192 A HN 0.542 nan 8.150 nan 0.000 0.443 193 M N 0.393 120.000 119.600 0.010 0.000 2.108 193 M HA -0.063 4.417 4.480 -0.000 0.000 0.261 193 M C 2.130 178.448 176.300 0.030 0.000 1.066 193 M CA 1.636 56.952 55.300 0.026 0.000 1.107 193 M CB -0.758 31.873 32.600 0.053 0.000 1.356 193 M HN 0.396 nan 8.290 nan 0.000 0.406 194 A N -0.255 122.582 122.820 0.028 0.000 1.892 194 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 194 A C 2.390 179.977 177.584 0.006 0.000 1.188 194 A CA 2.449 54.504 52.037 0.030 0.000 0.631 194 A CB -1.517 17.499 19.000 0.026 0.000 0.822 194 A HN 0.659 nan 8.150 nan 0.000 0.447 195 A N -0.820 121.990 122.820 -0.017 0.000 1.898 195 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 195 A C 2.234 179.747 177.584 -0.120 0.000 1.181 195 A CA 1.644 53.653 52.037 -0.046 0.000 0.620 195 A CB -0.907 18.074 19.000 -0.033 0.000 0.819 195 A HN 0.390 nan 8.150 nan 0.000 0.442 196 V N 0.147 119.958 119.914 -0.171 0.000 2.287 196 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 196 V C 2.655 178.464 176.094 -0.474 0.000 1.053 196 V CA 2.393 64.454 62.300 -0.399 0.000 1.027 196 V CB -0.831 30.768 31.823 -0.372 0.000 0.646 196 V HN 0.545 nan 8.190 nan 0.000 0.447 197 R N -0.486 119.937 120.500 -0.129 0.000 2.091 197 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 197 R C 2.511 178.850 176.300 0.065 0.000 1.136 197 R CA 1.715 57.886 56.100 0.118 0.000 0.959 197 R CB -0.390 30.058 30.300 0.247 0.000 0.856 197 R HN 0.291 nan 8.270 nan 0.000 0.437 198 R N 0.818 121.319 120.500 0.003 0.000 2.066 198 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 198 R C 2.011 178.312 176.300 0.001 0.000 1.131 198 R CA 1.466 57.576 56.100 0.017 0.000 0.955 198 R CB -0.767 29.535 30.300 0.003 0.000 0.851 198 R HN 0.037 nan 8.270 nan 0.000 0.432 199 V N 0.608 120.478 119.914 -0.073 0.000 2.287 199 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 199 V C 2.146 178.258 176.094 0.029 0.000 1.053 199 V CA 1.824 64.084 62.300 -0.067 0.000 1.027 199 V CB -0.697 31.031 31.823 -0.158 0.000 0.646 199 V HN 0.159 nan 8.190 nan 0.000 0.447 200 F N 0.889 120.758 119.950 -0.135 0.000 2.171 200 F HA -0.080 4.448 4.527 0.002 0.000 0.300 200 F C 2.418 178.181 175.800 -0.062 0.000 1.090 200 F CA 0.883 58.777 58.000 -0.176 0.000 1.293 200 F CB -1.338 37.393 39.000 -0.447 0.000 1.013 200 F HN 0.156 nan 8.300 nan 0.000 0.486 201 A N -1.265 121.658 122.820 0.172 0.000 2.168 201 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 201 A C 1.453 179.072 177.584 0.058 0.000 1.152 201 A CA 0.776 52.886 52.037 0.122 0.000 0.716 201 A CB -0.878 18.194 19.000 0.118 0.000 0.794 201 A HN 0.207 nan 8.150 nan 0.000 0.465 202 T N 0.306 114.888 114.554 0.046 0.000 2.913 202 T HA 0.227 4.577 4.350 -0.000 0.000 0.297 202 T C 0.466 175.129 174.700 -0.061 0.000 1.029 202 T CA -0.194 61.907 62.100 0.000 0.000 1.104 202 T CB 0.657 69.542 68.868 0.028 0.000 0.964 202 T HN 0.297 nan 8.240 nan 0.000 0.532 203 D N 1.289 121.567 120.400 -0.204 0.000 2.277 203 D HA 0.013 4.653 4.640 -0.000 0.000 0.209 203 D C 1.142 177.254 176.300 -0.314 0.000 0.970 203 D CA 1.103 54.901 54.000 -0.336 0.000 0.874 203 D CB 0.135 40.579 40.800 -0.593 0.000 0.982 203 D HN 0.689 nan 8.370 nan 0.000 0.504 204 H N -0.840 118.240 119.070 0.017 0.000 2.549 204 H HA 0.282 4.837 4.556 -0.002 0.000 0.279 204 H C -0.295 175.039 175.328 0.009 0.000 1.018 204 H CA -0.258 55.796 56.048 0.010 0.000 1.175 204 H CB 0.634 30.399 29.762 0.006 0.000 1.485 204 H HN -0.094 nan 8.280 nan 0.000 0.543 205 L N 0.648 121.921 121.223 0.083 0.000 2.388 205 L HA 0.454 4.794 4.340 -0.000 0.000 0.264 205 L C -0.548 176.355 176.870 0.055 0.000 0.998 205 L CA -0.860 54.017 54.840 0.062 0.000 0.817 205 L CB 2.204 44.293 42.059 0.051 0.000 1.338 205 L HN 0.094 nan 8.230 nan 0.000 0.414 206 R N 2.069 122.601 120.500 0.053 0.000 2.502 206 R HA 0.556 4.895 4.340 -0.000 0.000 0.300 206 R C -1.513 174.833 176.300 0.077 0.000 0.984 206 R CA -0.897 55.245 56.100 0.070 0.000 0.882 206 R CB 1.583 31.916 30.300 0.055 0.000 1.180 206 R HN 0.497 nan 8.270 nan 0.000 0.444 207 L N 6.333 127.619 121.223 0.105 0.000 2.315 207 L HA 0.158 4.498 4.340 -0.000 0.000 0.283 207 L C 0.455 177.381 176.870 0.094 0.000 1.089 207 L CA 0.404 55.280 54.840 0.060 0.000 0.833 207 L CB 1.497 43.524 42.059 -0.053 0.000 1.170 207 L HN 0.625 nan 8.230 nan 0.000 0.442 208 V N 2.087 122.048 119.914 0.079 0.000 3.477 208 V HA 0.834 4.954 4.120 -0.000 0.000 0.297 208 V C 0.523 176.647 176.094 0.050 0.000 1.433 208 V CA 0.498 62.850 62.300 0.087 0.000 1.052 208 V CB -0.241 31.666 31.823 0.140 0.000 0.895 208 V HN 0.862 nan 8.190 nan 0.000 0.438 209 G N -0.036 108.780 108.800 0.027 0.000 2.349 209 G HA2 0.562 4.522 3.960 -0.000 0.000 0.294 209 G HA3 0.562 4.522 3.960 -0.000 0.000 0.294 209 G C -2.096 172.806 174.900 0.003 0.000 1.380 209 G CA -0.784 44.320 45.100 0.006 0.000 0.811 209 G HN 0.240 nan 8.290 nan 0.000 0.519 210 L N 0.629 121.858 121.223 0.009 0.000 2.401 210 L HA 0.596 4.936 4.340 -0.000 0.000 0.266 210 L C -0.722 176.186 176.870 0.064 0.000 0.991 210 L CA -1.057 53.798 54.840 0.025 0.000 0.818 210 L CB 2.641 44.699 42.059 -0.001 0.000 1.321 210 L HN 0.750 nan 8.230 nan 0.000 0.413 211 H N 1.533 120.595 119.070 -0.014 0.000 2.538 211 H HA 0.575 5.130 4.556 -0.001 0.000 0.353 211 H C -1.771 173.565 175.328 0.013 0.000 1.109 211 H CA -0.197 55.852 56.048 0.002 0.000 1.192 211 H CB 2.377 32.157 29.762 0.031 0.000 1.555 211 H HN 0.541 nan 8.280 nan 0.000 0.518 212 S N 2.758 118.077 115.700 -0.636 0.000 2.541 212 S HA 0.319 4.789 4.470 -0.000 0.000 0.280 212 S C -1.734 172.544 174.600 -0.537 0.000 1.112 212 S CA -0.565 57.386 58.200 -0.415 0.000 0.925 212 S CB 0.977 64.056 63.200 -0.201 0.000 1.067 212 S HN 0.808 nan 8.310 nan 0.000 0.479 213 H N 3.046 121.904 119.070 -0.353 0.000 2.689 213 H HA 0.592 5.147 4.556 -0.001 0.000 0.346 213 H C 0.360 175.575 175.328 -0.188 0.000 1.037 213 H CA -0.593 55.311 56.048 -0.240 0.000 1.234 213 H CB 0.952 30.613 29.762 -0.168 0.000 1.572 213 H HN 0.598 nan 8.280 nan 0.000 0.524 214 I N 1.559 121.683 120.570 -0.744 0.000 4.240 214 I HA 0.699 4.869 4.170 -0.000 0.000 0.331 214 I C 0.499 176.239 176.117 -0.628 0.000 1.381 214 I CA 0.301 61.272 61.300 -0.549 0.000 1.136 214 I CB 0.760 38.464 38.000 -0.493 0.000 1.137 214 I HN 0.702 nan 8.210 nan 0.000 0.411 215 G N 1.439 109.743 108.800 -0.827 0.000 2.404 215 G HA2 0.395 4.355 3.960 -0.000 0.000 0.253 215 G HA3 0.395 4.355 3.960 -0.000 0.000 0.253 215 G C -1.397 173.229 174.900 -0.457 0.000 1.253 215 G CA 0.097 44.793 45.100 -0.673 0.000 0.917 215 G HN 0.580 nan 8.290 nan 0.000 0.480 216 S N -1.524 113.940 115.700 -0.392 0.000 2.556 216 S HA 0.573 5.043 4.470 -0.000 0.000 0.271 216 S C -0.248 174.292 174.600 -0.099 0.000 1.135 216 S CA 0.300 58.436 58.200 -0.106 0.000 0.858 216 S CB 2.160 65.358 63.200 -0.004 0.000 1.114 216 S HN 1.492 nan 8.310 nan 0.000 0.468 217 Q N 0.211 119.969 119.800 -0.069 0.000 2.468 217 Q HA -0.136 4.203 4.340 -0.000 0.000 0.289 217 Q C -0.682 175.036 176.000 -0.470 0.000 1.299 217 Q CA 0.778 56.468 55.803 -0.189 0.000 0.838 217 Q CB -1.815 26.802 28.738 -0.201 0.000 1.195 217 Q HN 0.812 nan 8.270 nan 0.000 0.456 218 I N 0.346 120.781 120.570 -0.225 0.000 2.352 218 I HA 0.082 4.252 4.170 -0.000 0.000 0.290 218 I C 1.122 177.287 176.117 0.080 0.000 1.036 218 I CA -0.229 60.948 61.300 -0.205 0.000 1.336 218 I CB 0.252 38.132 38.000 -0.199 0.000 1.407 218 I HN -0.083 nan 8.210 nan 0.000 0.497 219 F N 2.246 122.117 119.950 -0.132 0.000 2.717 219 F HA 0.215 4.742 4.527 0.001 0.000 0.297 219 F C 0.764 176.532 175.800 -0.053 0.000 1.113 219 F CA -0.203 57.691 58.000 -0.176 0.000 1.319 219 F CB -0.227 38.430 39.000 -0.572 0.000 1.097 219 F HN 0.341 nan 8.300 nan 0.000 0.595 220 D N -1.000 119.504 120.400 0.174 0.000 2.340 220 D HA 0.213 4.853 4.640 -0.000 0.000 0.243 220 D C 0.904 177.334 176.300 0.216 0.000 0.988 220 D CA -0.265 53.859 54.000 0.206 0.000 0.959 220 D CB 2.840 43.775 40.800 0.225 0.000 1.226 220 D HN -0.191 nan 8.370 nan 0.000 0.509 221 V N 0.847 120.887 119.914 0.210 0.000 3.235 221 V HA -0.108 4.012 4.120 -0.000 0.000 0.259 221 V C 0.711 176.902 176.094 0.161 0.000 1.133 221 V CA 1.322 63.769 62.300 0.245 0.000 1.128 221 V CB -0.267 31.645 31.823 0.148 0.000 0.757 221 V HN 0.399 nan 8.190 nan 0.000 0.469 222 D N 0.549 121.015 120.400 0.110 0.000 2.144 222 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 222 D C 2.168 178.300 176.300 -0.280 0.000 0.978 222 D CA 1.348 55.383 54.000 0.059 0.000 0.833 222 D CB -0.420 40.526 40.800 0.244 0.000 0.961 222 D HN 0.502 nan 8.370 nan 0.000 0.470 223 G N 0.240 108.749 108.800 -0.485 0.000 2.446 223 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 223 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 223 G C 1.215 175.749 174.900 -0.610 0.000 1.168 223 G CA 0.324 44.810 45.100 -1.024 0.000 0.771 223 G HN 0.140 nan 8.290 nan 0.000 0.551 224 F N 1.023 120.800 119.950 -0.289 0.000 2.161 224 F HA -0.019 4.508 4.527 -0.000 0.000 0.300 224 F C 2.538 178.240 175.800 -0.163 0.000 1.089 224 F CA 1.451 59.334 58.000 -0.194 0.000 1.282 224 F CB -0.378 38.555 39.000 -0.111 0.000 1.010 224 F HN 0.272 nan 8.300 nan 0.000 0.485 225 E N 0.138 120.357 120.200 0.032 0.000 2.031 225 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 225 E C 2.246 178.828 176.600 -0.030 0.000 0.994 225 E CA 1.086 57.490 56.400 0.007 0.000 0.800 225 E CB -0.317 29.385 29.700 0.004 0.000 0.752 225 E HN 0.264 nan 8.360 nan 0.000 0.447 226 L N 0.927 122.057 121.223 -0.154 0.000 2.012 226 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 226 L C 2.265 179.096 176.870 -0.065 0.000 1.073 226 L CA 2.267 57.029 54.840 -0.129 0.000 0.748 226 L CB -0.820 41.075 42.059 -0.274 0.000 0.891 226 L HN 0.200 nan 8.230 nan 0.000 0.431 227 A N -0.544 122.192 122.820 -0.140 0.000 1.883 227 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 227 A C 2.471 180.042 177.584 -0.022 0.000 1.186 227 A CA 2.102 54.084 52.037 -0.091 0.000 0.624 227 A CB -1.316 17.603 19.000 -0.134 0.000 0.822 227 A HN 0.577 nan 8.150 nan 0.000 0.444 228 A N -0.863 121.964 122.820 0.011 0.000 1.917 228 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 228 A C 2.016 179.617 177.584 0.028 0.000 1.182 228 A CA 2.352 54.402 52.037 0.021 0.000 0.633 228 A CB -0.987 18.034 19.000 0.036 0.000 0.819 228 A HN 0.835 nan 8.150 nan 0.000 0.448 229 H N -0.722 118.331 119.070 -0.029 0.000 2.319 229 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 229 H C 2.273 177.590 175.328 -0.018 0.000 1.092 229 H CA 2.180 58.217 56.048 -0.020 0.000 1.302 229 H CB -0.071 29.679 29.762 -0.020 0.000 1.373 229 H HN 0.417 nan 8.280 nan 0.000 0.497 230 R N -0.509 119.991 120.500 -0.001 0.000 2.066 230 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 230 R C 2.557 178.814 176.300 -0.072 0.000 1.131 230 R CA 1.276 57.353 56.100 -0.039 0.000 0.955 230 R CB -0.341 29.972 30.300 0.022 0.000 0.851 230 R HN 0.191 nan 8.270 nan 0.000 0.432 231 V N 0.898 120.780 119.914 -0.054 0.000 2.287 231 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 231 V C 2.114 178.173 176.094 -0.059 0.000 1.053 231 V CA 1.905 64.176 62.300 -0.049 0.000 1.027 231 V CB -0.360 31.438 31.823 -0.042 0.000 0.646 231 V HN 0.298 nan 8.190 nan 0.000 0.447 232 I N 0.537 121.060 120.570 -0.078 0.000 2.493 232 I HA -0.123 4.046 4.170 -0.000 0.000 0.254 232 I C 2.494 178.549 176.117 -0.104 0.000 1.160 232 I CA 1.341 62.595 61.300 -0.078 0.000 1.445 232 I CB -0.738 37.223 38.000 -0.065 0.000 1.086 232 I HN 0.395 nan 8.210 nan 0.000 0.433 233 G N 0.891 109.589 108.800 -0.171 0.000 2.418 233 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 233 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 233 G C 1.687 176.547 174.900 -0.067 0.000 1.158 233 G CA 0.322 45.330 45.100 -0.152 0.000 0.771 233 G HN 0.288 nan 8.290 nan 0.000 0.545 234 L N 0.024 121.217 121.223 -0.049 0.000 2.012 234 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 234 L C 2.780 179.650 176.870 0.001 0.000 1.073 234 L CA 1.177 56.007 54.840 -0.016 0.000 0.748 234 L CB -0.371 41.679 42.059 -0.016 0.000 0.891 234 L HN 0.159 nan 8.230 nan 0.000 0.431 235 L N 0.277 121.495 121.223 -0.008 0.000 1.997 235 L HA -0.335 4.004 4.340 -0.000 0.000 0.216 235 L C 2.824 179.713 176.870 0.032 0.000 1.074 235 L CA 2.281 57.129 54.840 0.013 0.000 0.763 235 L CB -0.807 41.252 42.059 0.000 0.000 0.890 235 L HN 0.455 nan 8.230 nan 0.000 0.434 236 R N -0.224 120.282 120.500 0.010 0.000 2.091 236 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 236 R C 1.785 178.109 176.300 0.039 0.000 1.136 236 R CA 1.972 58.082 56.100 0.017 0.000 0.959 236 R CB -0.193 30.102 30.300 -0.009 0.000 0.856 236 R HN 0.429 nan 8.270 nan 0.000 0.437 237 D N 0.131 120.553 120.400 0.036 0.000 2.117 237 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 237 D C 2.015 178.383 176.300 0.113 0.000 0.987 237 D CA 1.218 55.252 54.000 0.057 0.000 0.829 237 D CB -0.274 40.553 40.800 0.045 0.000 0.961 237 D HN 0.106 nan 8.370 nan 0.000 0.460 238 V N 1.514 121.511 119.914 0.139 0.000 2.214 238 V HA -0.231 3.889 4.120 -0.000 0.000 0.244 238 V C 2.778 179.058 176.094 0.310 0.000 1.045 238 V CA 2.076 64.530 62.300 0.255 0.000 0.993 238 V CB -0.903 31.029 31.823 0.181 0.000 0.633 238 V HN 0.190 nan 8.190 nan 0.000 0.449 239 V N 0.279 120.317 119.914 0.207 0.000 2.828 239 V HA -0.090 4.030 4.120 -0.000 0.000 0.260 239 V C 2.185 178.361 176.094 0.136 0.000 1.101 239 V CA 2.210 64.615 62.300 0.176 0.000 1.123 239 V CB -1.417 30.471 31.823 0.109 0.000 0.704 239 V HN 0.470 nan 8.190 nan 0.000 0.493 240 G N -0.042 108.826 108.800 0.113 0.000 2.433 240 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 240 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 240 G C 1.519 176.454 174.900 0.059 0.000 1.186 240 G CA 0.955 46.097 45.100 0.070 0.000 0.779 240 G HN 0.631 nan 8.290 nan 0.000 0.543 241 E N -0.904 119.345 120.200 0.082 0.000 2.158 241 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 241 E C 1.689 178.186 176.600 -0.173 0.000 0.982 241 E CA 0.415 56.781 56.400 -0.057 0.000 0.823 241 E CB -0.032 29.625 29.700 -0.070 0.000 0.766 241 E HN 0.499 nan 8.360 nan 0.000 0.468 242 F N -0.279 119.711 119.950 0.067 0.000 2.720 242 F HA 0.322 4.847 4.527 -0.003 0.000 0.301 242 F C 0.730 176.516 175.800 -0.023 0.000 1.103 242 F CA 0.492 58.509 58.000 0.028 0.000 1.291 242 F CB 1.448 40.482 39.000 0.057 0.000 1.086 242 F HN 0.059 nan 8.300 nan 0.000 0.592 243 G N 1.373 110.266 108.800 0.156 0.000 2.767 243 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 243 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 243 G C -2.885 172.053 174.900 0.064 0.000 1.213 243 G CA -1.406 43.741 45.100 0.078 0.000 0.803 243 G HN -0.084 nan 8.290 nan 0.000 0.603 244 P HA 0.177 nan 4.420 nan 0.000 0.258 244 P C 0.643 177.947 177.300 0.007 0.000 1.563 244 P CA 1.035 64.152 63.100 0.028 0.000 1.241 244 P CB -0.128 31.587 31.700 0.025 0.000 1.811 245 E N 0.907 121.099 120.200 -0.013 0.000 2.241 245 E HA -0.020 4.330 4.350 -0.000 0.000 0.264 245 E C 0.868 177.416 176.600 -0.087 0.000 1.091 245 E CA -0.263 56.115 56.400 -0.036 0.000 1.872 245 E CB -0.578 29.106 29.700 -0.026 0.000 3.264 245 E HN 0.011 nan 8.360 nan 0.000 1.030 246 K N 1.650 121.960 120.400 -0.149 0.000 2.432 246 K HA 0.062 4.382 4.320 -0.000 0.000 0.196 246 K C 1.773 178.133 176.600 -0.399 0.000 1.038 246 K CA 1.675 57.747 56.287 -0.358 0.000 0.986 246 K CB 0.216 32.390 32.500 -0.544 0.000 0.782 246 K HN 0.377 nan 8.250 nan 0.000 0.485 247 T N -4.208 110.259 114.554 -0.145 0.000 2.985 247 T HA 0.272 4.622 4.350 -0.000 0.000 0.254 247 T C 1.786 176.508 174.700 0.038 0.000 1.021 247 T CA 0.241 62.353 62.100 0.020 0.000 0.957 247 T CB 0.421 69.353 68.868 0.107 0.000 1.047 247 T HN 0.033 nan 8.240 nan 0.000 0.511 248 A N 2.709 125.531 122.820 0.003 0.000 1.997 248 A HA -0.197 4.123 4.320 -0.000 0.000 0.221 248 A C 2.415 180.015 177.584 0.027 0.000 1.172 248 A CA 1.935 53.980 52.037 0.014 0.000 0.645 248 A CB -0.632 18.368 19.000 0.000 0.000 0.813 248 A HN 0.694 nan 8.150 nan 0.000 0.454 249 Q N 0.045 119.864 119.800 0.033 0.000 2.403 249 Q HA 0.109 4.449 4.340 -0.000 0.000 0.203 249 Q C 0.462 176.503 176.000 0.067 0.000 0.932 249 Q CA 0.287 56.118 55.803 0.048 0.000 0.945 249 Q CB -0.500 28.265 28.738 0.046 0.000 1.045 249 Q HN 0.667 nan 8.270 nan 0.000 0.511 250 I N 2.486 123.103 120.570 0.079 0.000 2.382 250 I HA 0.084 4.254 4.170 -0.000 0.000 0.297 250 I C 0.907 177.051 176.117 0.045 0.000 1.172 250 I CA 0.085 61.427 61.300 0.071 0.000 1.825 250 I CB -0.080 37.969 38.000 0.082 0.000 1.509 250 I HN 0.126 nan 8.210 nan 0.000 0.842 251 A N 2.830 125.675 122.820 0.041 0.000 2.308 251 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 251 A C 0.908 178.503 177.584 0.018 0.000 1.216 251 A CA 0.353 52.409 52.037 0.032 0.000 0.864 251 A CB 0.113 19.136 19.000 0.037 0.000 0.902 251 A HN 0.444 nan 8.150 nan 0.000 0.499 252 T N 0.117 114.676 114.554 0.009 0.000 2.841 252 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 252 T C -1.024 173.665 174.700 -0.019 0.000 0.991 252 T CA -0.241 61.851 62.100 -0.013 0.000 0.966 252 T CB 1.709 70.554 68.868 -0.038 0.000 0.962 252 T HN -0.111 nan 8.240 nan 0.000 0.438 253 V N 3.934 123.831 119.914 -0.027 0.000 2.357 253 V HA 0.377 4.496 4.120 -0.000 0.000 0.284 253 V C -0.385 175.670 176.094 -0.065 0.000 1.018 253 V CA -0.757 61.522 62.300 -0.036 0.000 0.841 253 V CB 1.492 33.297 31.823 -0.029 0.000 0.991 253 V HN 0.805 nan 8.190 nan 0.000 0.437 254 D N 4.852 125.212 120.400 -0.067 0.000 2.392 254 D HA 0.327 4.967 4.640 -0.000 0.000 0.228 254 D C 0.491 176.699 176.300 -0.153 0.000 1.074 254 D CA -0.282 53.661 54.000 -0.095 0.000 0.838 254 D CB 1.619 42.423 40.800 0.007 0.000 1.067 254 D HN 0.425 nan 8.370 nan 0.000 0.511 255 L N 3.238 124.369 121.223 -0.153 0.000 2.611 255 L HA 0.338 4.678 4.340 -0.000 0.000 0.229 255 L C 1.468 178.298 176.870 -0.066 0.000 1.137 255 L CA 0.045 54.819 54.840 -0.111 0.000 0.901 255 L CB -0.655 41.375 42.059 -0.049 0.000 1.098 255 L HN 0.676 nan 8.230 nan 0.000 0.456 256 G N 0.021 108.756 108.800 -0.108 0.000 2.632 256 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.224 256 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.224 256 G C 0.079 175.056 174.900 0.129 0.000 1.341 256 G CA -0.518 44.618 45.100 0.059 0.000 0.880 256 G HN 0.388 nan 8.290 nan 0.000 0.566 257 G N -2.690 106.304 108.800 0.323 0.000 2.890 257 G HA2 0.724 4.684 3.960 -0.000 0.000 0.189 257 G HA3 0.724 4.684 3.960 -0.000 0.000 0.189 257 G C 1.416 176.446 174.900 0.216 0.000 1.342 257 G CA 1.117 46.347 45.100 0.216 0.000 1.026 257 G HN 2.646 nan 8.290 nan 0.000 0.579 258 G N -1.801 107.115 108.800 0.194 0.000 2.159 258 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.227 258 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.227 258 G C 0.398 175.368 174.900 0.117 0.000 0.986 258 G CA 0.125 45.278 45.100 0.088 0.000 0.651 258 G HN 0.606 nan 8.290 nan 0.000 0.523 259 L N 1.167 122.494 121.223 0.173 0.000 2.490 259 L HA 0.456 4.795 4.340 -0.000 0.000 0.274 259 L C 1.411 178.389 176.870 0.179 0.000 1.201 259 L CA 0.503 55.458 54.840 0.191 0.000 0.869 259 L CB 0.400 42.551 42.059 0.153 0.000 1.123 259 L HN 0.243 nan 8.230 nan 0.000 0.484 260 G N 3.370 112.320 108.800 0.251 0.000 2.412 260 G HA2 0.636 4.596 3.960 -0.000 0.000 0.318 260 G HA3 0.636 4.596 3.960 -0.000 0.000 0.318 260 G C -0.549 174.535 174.900 0.306 0.000 1.146 260 G CA -0.591 44.726 45.100 0.362 0.000 0.882 260 G HN 0.668 nan 8.290 nan 0.000 0.501 261 I N -1.898 118.814 120.570 0.238 0.000 3.264 261 I HA 0.721 4.891 4.170 -0.000 0.000 0.309 261 I C -0.146 175.979 176.117 0.014 0.000 1.099 261 I CA -1.097 60.218 61.300 0.024 0.000 0.989 261 I CB 2.272 40.189 38.000 -0.138 0.000 1.250 261 I HN 0.250 nan 8.210 nan 0.000 0.478 262 S N 1.267 116.904 115.700 -0.104 0.000 2.404 262 S HA 0.348 4.818 4.470 -0.000 0.000 0.309 262 S C 0.024 174.544 174.600 -0.134 0.000 1.076 262 S CA -0.359 57.807 58.200 -0.056 0.000 1.095 262 S CB 0.081 63.251 63.200 -0.051 0.000 0.972 262 S HN 0.592 nan 8.310 nan 0.000 0.484 263 Y N 2.096 122.421 120.300 0.041 0.000 2.365 263 Y HA 0.228 4.777 4.550 -0.000 0.000 0.293 263 Y C 0.801 176.702 175.900 0.002 0.000 1.119 263 Y CA 0.570 58.654 58.100 -0.026 0.000 1.203 263 Y CB 0.256 38.648 38.460 -0.113 0.000 1.026 263 Y HN 0.404 nan 8.280 nan 0.000 0.549 264 L N -0.293 121.049 121.223 0.198 0.000 2.341 264 L HA 0.278 4.618 4.340 -0.000 0.000 0.267 264 L C -1.704 175.251 176.870 0.142 0.000 1.009 264 L CA -2.183 52.759 54.840 0.170 0.000 0.819 264 L CB 1.929 44.089 42.059 0.168 0.000 1.323 264 L HN -0.228 nan 8.230 nan 0.000 0.425 265 P HA -0.160 nan 4.420 nan 0.000 0.216 265 P C 1.384 178.745 177.300 0.102 0.000 1.150 265 P CA 1.234 64.420 63.100 0.143 0.000 0.843 265 P CB 0.179 31.983 31.700 0.174 0.000 0.787 266 S N -2.204 113.559 115.700 0.104 0.000 2.481 266 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 266 S C 0.739 175.395 174.600 0.093 0.000 0.996 266 S CA 0.348 58.602 58.200 0.089 0.000 0.942 266 S CB -1.084 62.173 63.200 0.095 0.000 0.768 266 S HN 0.079 nan 8.310 nan 0.000 0.520 267 D N 3.852 124.315 120.400 0.106 0.000 2.458 267 D HA 0.174 4.814 4.640 -0.000 0.000 0.243 267 D C -0.233 175.979 176.300 -0.146 0.000 1.146 267 D CA 0.495 54.544 54.000 0.081 0.000 0.877 267 D CB 0.608 41.514 40.800 0.177 0.000 1.176 267 D HN 0.521 nan 8.370 nan 0.000 0.461 268 D N 1.049 121.213 120.400 -0.393 0.000 2.739 268 D HA 0.166 4.806 4.640 -0.000 0.000 0.335 268 D C -2.653 173.246 176.300 -0.669 0.000 1.216 268 D CA -1.470 52.304 54.000 -0.376 0.000 0.808 268 D CB 0.497 41.248 40.800 -0.081 0.000 1.121 268 D HN 0.076 nan 8.370 nan 0.000 0.499 269 P HA 0.247 nan 4.420 nan 0.000 0.272 269 P C -2.321 174.853 177.300 -0.211 0.000 1.223 269 P CA -0.844 61.874 63.100 -0.637 0.000 0.784 269 P CB 0.697 32.167 31.700 -0.383 0.000 0.923 270 P HA 0.304 nan 4.420 nan 0.000 0.278 270 P C -2.435 174.855 177.300 -0.017 0.000 1.258 270 P CA -1.961 61.126 63.100 -0.022 0.000 0.811 270 P CB -0.980 30.735 31.700 0.025 0.000 1.063 271 P HA 0.012 nan 4.420 nan 0.000 0.265 271 P C 1.123 178.416 177.300 -0.011 0.000 1.193 271 P CA -0.125 62.967 63.100 -0.015 0.000 0.765 271 P CB 0.365 32.054 31.700 -0.019 0.000 0.823 272 I N 3.736 124.307 120.570 0.003 0.000 2.315 272 I HA -0.288 3.882 4.170 -0.000 0.000 0.251 272 I C 2.159 178.228 176.117 -0.080 0.000 1.125 272 I CA 1.763 63.069 61.300 0.011 0.000 1.392 272 I CB -1.072 36.974 38.000 0.076 0.000 1.065 272 I HN 0.490 nan 8.210 nan 0.000 0.424 273 A N -0.385 122.387 122.820 -0.080 0.000 1.892 273 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 273 A C 2.403 179.906 177.584 -0.134 0.000 1.188 273 A CA 2.158 54.123 52.037 -0.121 0.000 0.631 273 A CB -0.909 18.047 19.000 -0.074 0.000 0.822 273 A HN 0.593 nan 8.150 nan 0.000 0.447 274 E N -0.632 119.518 120.200 -0.084 0.000 2.051 274 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 274 E C 2.023 178.577 176.600 -0.076 0.000 0.991 274 E CA 1.320 57.681 56.400 -0.065 0.000 0.799 274 E CB -0.213 29.468 29.700 -0.031 0.000 0.748 274 E HN 0.581 nan 8.360 nan 0.000 0.449 275 L N 0.235 121.418 121.223 -0.066 0.000 2.056 275 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 275 L C 2.361 179.138 176.870 -0.156 0.000 1.078 275 L CA 1.688 56.496 54.840 -0.053 0.000 0.749 275 L CB -0.300 41.770 42.059 0.018 0.000 0.901 275 L HN 0.176 nan 8.230 nan 0.000 0.433 276 A N -0.090 122.529 122.820 -0.335 0.000 1.902 276 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 276 A C 2.463 179.787 177.584 -0.434 0.000 1.181 276 A CA 1.761 53.364 52.037 -0.723 0.000 0.623 276 A CB -1.130 16.950 19.000 -1.534 0.000 0.818 276 A HN 0.597 nan 8.150 nan 0.000 0.443 277 A N -0.194 122.453 122.820 -0.289 0.000 1.908 277 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 277 A C 2.113 179.628 177.584 -0.115 0.000 1.181 277 A CA 2.005 53.938 52.037 -0.173 0.000 0.627 277 A CB -0.473 18.452 19.000 -0.124 0.000 0.818 277 A HN 0.562 nan 8.150 nan 0.000 0.445 278 K N -0.931 119.413 120.400 -0.093 0.000 2.032 278 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 278 K C 1.813 178.384 176.600 -0.048 0.000 1.048 278 K CA 1.321 57.579 56.287 -0.049 0.000 0.927 278 K CB -0.383 32.106 32.500 -0.018 0.000 0.712 278 K HN 0.287 nan 8.250 nan 0.000 0.441 279 L N 0.669 121.845 121.223 -0.078 0.000 2.043 279 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 279 L C 2.358 179.199 176.870 -0.049 0.000 1.075 279 L CA 2.082 56.877 54.840 -0.075 0.000 0.752 279 L CB -1.396 40.604 42.059 -0.097 0.000 0.891 279 L HN 0.349 nan 8.230 nan 0.000 0.432 280 G N -2.497 106.260 108.800 -0.072 0.000 2.402 280 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.216 280 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.216 280 G C 1.534 176.416 174.900 -0.029 0.000 1.162 280 G CA 1.181 46.252 45.100 -0.048 0.000 0.777 280 G HN 0.400 nan 8.290 nan 0.000 0.539 281 T N 1.347 115.882 114.554 -0.032 0.000 2.777 281 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 281 T C 2.395 177.093 174.700 -0.003 0.000 1.040 281 T CA 0.872 62.962 62.100 -0.016 0.000 1.141 281 T CB -0.136 68.722 68.868 -0.017 0.000 0.868 281 T HN 0.242 nan 8.240 nan 0.000 0.444 282 I N 0.844 121.413 120.570 -0.001 0.000 2.127 282 I HA -0.189 3.981 4.170 -0.000 0.000 0.241 282 I C 2.488 178.615 176.117 0.016 0.000 1.075 282 I CA 1.091 62.400 61.300 0.014 0.000 1.334 282 I CB -0.531 37.481 38.000 0.019 0.000 1.040 282 I HN 0.075 nan 8.210 nan 0.000 0.405 283 V N 0.878 120.796 119.914 0.006 0.000 2.343 283 V HA -0.283 3.836 4.120 -0.000 0.000 0.247 283 V C 2.636 178.734 176.094 0.007 0.000 1.051 283 V CA 2.283 64.586 62.300 0.006 0.000 1.036 283 V CB -0.788 31.036 31.823 0.001 0.000 0.654 283 V HN 0.629 nan 8.190 nan 0.000 0.451 284 S N -0.249 115.454 115.700 0.005 0.000 2.355 284 S HA -0.230 4.240 4.470 -0.000 0.000 0.222 284 S C 1.732 176.339 174.600 0.012 0.000 1.031 284 S CA 1.480 59.684 58.200 0.007 0.000 0.993 284 S CB -0.589 62.613 63.200 0.002 0.000 0.859 284 S HN 0.537 nan 8.310 nan 0.000 0.453 285 D N 1.611 122.020 120.400 0.014 0.000 2.104 285 D HA -0.075 4.565 4.640 -0.000 0.000 0.194 285 D C 2.211 178.530 176.300 0.032 0.000 0.994 285 D CA 1.310 55.323 54.000 0.022 0.000 0.830 285 D CB -0.338 40.476 40.800 0.023 0.000 0.959 285 D HN 0.410 nan 8.370 nan 0.000 0.452 286 E N 0.404 120.627 120.200 0.037 0.000 2.077 286 E HA -0.115 4.234 4.350 -0.000 0.000 0.193 286 E C 2.238 178.850 176.600 0.020 0.000 0.989 286 E CA 1.029 57.457 56.400 0.046 0.000 0.800 286 E CB -0.355 29.374 29.700 0.048 0.000 0.746 286 E HN 0.345 nan 8.360 nan 0.000 0.452 287 S N 0.522 116.229 115.700 0.012 0.000 2.387 287 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 287 S C 2.260 176.867 174.600 0.010 0.000 1.026 287 S CA 1.774 59.977 58.200 0.006 0.000 0.972 287 S CB -0.773 62.431 63.200 0.006 0.000 0.814 287 S HN 0.353 nan 8.310 nan 0.000 0.477 288 T N 0.401 114.963 114.554 0.014 0.000 2.821 288 T HA 0.140 4.490 4.350 -0.000 0.000 0.267 288 T C 2.029 176.740 174.700 0.018 0.000 1.046 288 T CA 1.131 63.240 62.100 0.015 0.000 1.139 288 T CB -0.975 67.901 68.868 0.014 0.000 0.871 288 T HN 0.559 nan 8.240 nan 0.000 0.454 289 A N 1.569 124.404 122.820 0.024 0.000 1.986 289 A HA 0.037 4.357 4.320 -0.000 0.000 0.220 289 A C 2.420 180.018 177.584 0.025 0.000 1.171 289 A CA 1.938 53.994 52.037 0.032 0.000 0.640 289 A CB -0.902 18.129 19.000 0.052 0.000 0.811 289 A HN 1.118 nan 8.150 nan 0.000 0.451 290 V N -4.586 115.337 119.914 0.014 0.000 3.271 290 V HA 0.591 4.711 4.120 -0.000 0.000 0.327 290 V C 1.057 177.157 176.094 0.010 0.000 1.389 290 V CA 0.429 62.733 62.300 0.007 0.000 1.156 290 V CB -0.792 31.024 31.823 -0.011 0.000 1.103 290 V HN 1.526 nan 8.190 nan 0.000 0.453 291 G N 0.907 109.715 108.800 0.013 0.000 2.176 291 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.252 291 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.252 291 G C -0.322 174.586 174.900 0.015 0.000 1.024 291 G CA 0.510 45.618 45.100 0.014 0.000 0.755 291 G HN 0.457 nan 8.290 nan 0.000 0.507 292 L N 0.475 121.706 121.223 0.013 0.000 2.334 292 L HA 0.637 4.977 4.340 -0.000 0.000 0.272 292 L C -1.593 175.286 176.870 0.014 0.000 1.020 292 L CA -2.327 52.522 54.840 0.015 0.000 0.812 292 L CB 1.152 43.220 42.059 0.015 0.000 1.264 292 L HN -0.055 nan 8.230 nan 0.000 0.439 293 P HA 0.070 nan 4.420 nan 0.000 0.272 293 P C -0.379 176.929 177.300 0.013 0.000 1.223 293 P CA -0.266 62.843 63.100 0.014 0.000 0.784 293 P CB 0.226 31.935 31.700 0.015 0.000 0.923 294 T N 1.178 115.739 114.554 0.012 0.000 2.799 294 T HA 0.297 4.647 4.350 -0.000 0.000 0.296 294 T C -1.936 172.771 174.700 0.012 0.000 0.947 294 T CA -1.253 60.853 62.100 0.010 0.000 1.141 294 T CB -0.591 68.283 68.868 0.009 0.000 0.891 294 T HN 0.238 nan 8.240 nan 0.000 0.533 295 P HA 0.286 nan 4.420 nan 0.000 0.274 295 P C -0.350 176.956 177.300 0.010 0.000 1.237 295 P CA -0.775 62.331 63.100 0.010 0.000 0.793 295 P CB 0.620 32.323 31.700 0.005 0.000 0.977 296 K N 1.160 121.567 120.400 0.012 0.000 2.401 296 K HA 0.182 4.502 4.320 -0.000 0.000 0.278 296 K C -0.299 176.301 176.600 0.000 0.000 1.018 296 K CA -0.319 55.977 56.287 0.014 0.000 0.981 296 K CB 0.108 32.619 32.500 0.018 0.000 0.933 296 K HN 0.424 nan 8.250 nan 0.000 0.477 297 L N 5.639 126.871 121.223 0.014 0.000 2.275 297 L HA 0.355 4.695 4.340 -0.000 0.000 0.288 297 L C -1.066 175.778 176.870 -0.042 0.000 1.046 297 L CA -0.752 54.088 54.840 -0.001 0.000 0.805 297 L CB 1.460 43.554 42.059 0.058 0.000 1.193 297 L HN 0.446 nan 8.230 nan 0.000 0.426 298 V N 5.380 125.207 119.914 -0.145 0.000 2.769 298 V HA 0.575 4.695 4.120 -0.000 0.000 0.312 298 V C -0.389 175.486 176.094 -0.364 0.000 1.061 298 V CA -0.551 61.575 62.300 -0.289 0.000 0.931 298 V CB 2.536 34.117 31.823 -0.404 0.000 1.010 298 V HN 0.514 nan 8.190 nan 0.000 0.433 299 V N 2.971 122.593 119.914 -0.486 0.000 2.925 299 V HA 0.498 4.617 4.120 -0.000 0.000 0.311 299 V C -0.585 175.324 176.094 -0.309 0.000 1.104 299 V CA -0.466 61.548 62.300 -0.477 0.000 0.954 299 V CB 2.469 33.736 31.823 -0.927 0.000 1.022 299 V HN 1.008 nan 8.190 nan 0.000 0.427 300 E N 4.911 125.019 120.200 -0.154 0.000 3.659 300 E HA 0.262 4.612 4.350 -0.000 0.000 0.217 300 E C -2.632 173.958 176.600 -0.017 0.000 1.141 300 E CA -1.467 54.910 56.400 -0.039 0.000 1.340 300 E CB 0.980 30.677 29.700 -0.005 0.000 1.295 300 E HN 0.466 nan 8.360 nan 0.000 0.434 301 P HA 0.051 nan 4.420 nan 0.000 0.276 301 P C 0.334 177.667 177.300 0.055 0.000 1.230 301 P CA 0.158 63.285 63.100 0.044 0.000 0.776 301 P CB 2.048 33.778 31.700 0.050 0.000 0.888 302 G N 3.487 112.315 108.800 0.046 0.000 2.765 302 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.218 302 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.218 302 G C 1.469 176.454 174.900 0.141 0.000 1.271 302 G CA 0.009 45.110 45.100 0.001 0.000 0.865 302 G HN 0.498 nan 8.290 nan 0.000 0.604 303 R N 0.776 121.378 120.500 0.168 0.000 2.117 303 R HA -0.060 4.279 4.340 -0.000 0.000 0.243 303 R C 2.441 178.795 176.300 0.089 0.000 1.143 303 R CA 1.852 58.058 56.100 0.176 0.000 0.968 303 R CB -0.419 30.056 30.300 0.292 0.000 0.863 303 R HN 0.277 nan 8.270 nan 0.000 0.444 304 A N 0.538 123.408 122.820 0.082 0.000 2.167 304 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 304 A C 1.858 179.427 177.584 -0.024 0.000 1.151 304 A CA 0.531 52.590 52.037 0.036 0.000 0.735 304 A CB -0.043 18.996 19.000 0.065 0.000 0.802 304 A HN 0.291 nan 8.150 nan 0.000 0.467 305 I N -1.092 119.456 120.570 -0.038 0.000 2.512 305 I HA 0.020 4.190 4.170 -0.000 0.000 0.247 305 I C 2.676 178.533 176.117 -0.434 0.000 1.094 305 I CA 1.463 62.603 61.300 -0.266 0.000 1.427 305 I CB -1.424 36.409 38.000 -0.278 0.000 1.149 305 I HN 0.291 nan 8.210 nan 0.000 0.438 306 A N 0.795 123.524 122.820 -0.152 0.000 1.984 306 A HA 0.201 4.521 4.320 -0.000 0.000 0.214 306 A C 2.317 179.943 177.584 0.071 0.000 1.173 306 A CA 1.121 53.169 52.037 0.018 0.000 0.673 306 A CB -0.980 18.197 19.000 0.295 0.000 0.830 306 A HN 0.388 nan 8.150 nan 0.000 0.453 307 G N 0.741 109.565 108.800 0.040 0.000 2.464 307 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.214 307 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.214 307 G C -0.378 174.520 174.900 -0.003 0.000 1.218 307 G CA 1.262 46.387 45.100 0.042 0.000 0.794 307 G HN 0.463 nan 8.290 nan 0.000 0.542 308 P HA 0.022 nan 4.420 nan 0.000 0.220 308 P C 1.843 179.136 177.300 -0.012 0.000 1.148 308 P CA 1.536 64.596 63.100 -0.068 0.000 0.803 308 P CB -0.316 31.342 31.700 -0.069 0.000 0.782 309 G N -1.357 107.467 108.800 0.041 0.000 2.744 309 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.211 309 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.211 309 G C 0.372 175.337 174.900 0.109 0.000 1.143 309 G CA 0.612 45.770 45.100 0.097 0.000 0.788 309 G HN 0.406 nan 8.290 nan 0.000 0.534 310 T N -0.782 113.822 114.554 0.083 0.000 2.893 310 T HA 0.634 4.984 4.350 -0.000 0.000 0.291 310 T C -0.656 174.070 174.700 0.044 0.000 1.028 310 T CA -0.893 61.257 62.100 0.083 0.000 0.995 310 T CB 2.006 70.929 68.868 0.091 0.000 1.051 310 T HN 0.369 nan 8.240 nan 0.000 0.470 311 I N -0.006 120.581 120.570 0.029 0.000 3.108 311 I HA 0.816 4.986 4.170 -0.000 0.000 0.312 311 I C -0.511 175.520 176.117 -0.144 0.000 1.095 311 I CA -0.871 60.404 61.300 -0.042 0.000 1.000 311 I CB 2.145 40.162 38.000 0.029 0.000 1.229 311 I HN 0.553 nan 8.210 nan 0.000 0.454 312 T N 4.135 118.520 114.554 -0.281 0.000 2.786 312 T HA 0.607 4.957 4.350 -0.000 0.000 0.283 312 T C -0.831 173.543 174.700 -0.544 0.000 0.992 312 T CA -0.191 61.545 62.100 -0.606 0.000 0.954 312 T CB 1.094 69.416 68.868 -0.909 0.000 0.934 312 T HN 0.618 nan 8.240 nan 0.000 0.440 313 L N 4.633 125.562 121.223 -0.491 0.000 2.295 313 L HA 0.662 5.002 4.340 -0.000 0.000 0.285 313 L C -1.640 175.009 176.870 -0.368 0.000 1.035 313 L CA -0.335 54.341 54.840 -0.274 0.000 0.806 313 L CB 0.339 42.338 42.059 -0.100 0.000 1.214 313 L HN 0.566 nan 8.230 nan 0.000 0.426 314 Y N 2.227 122.518 120.300 -0.016 0.000 2.570 314 Y HA 0.503 5.053 4.550 -0.001 0.000 0.345 314 Y C -0.344 175.559 175.900 0.006 0.000 1.014 314 Y CA -0.852 57.239 58.100 -0.015 0.000 1.063 314 Y CB 1.636 40.083 38.460 -0.022 0.000 1.272 314 Y HN 0.552 nan 8.280 nan 0.000 0.477 315 E N 1.175 121.498 120.200 0.205 0.000 2.175 315 E HA 0.519 4.869 4.350 -0.000 0.000 0.278 315 E C -1.416 175.233 176.600 0.082 0.000 0.969 315 E CA -0.693 55.777 56.400 0.115 0.000 0.796 315 E CB 1.291 31.039 29.700 0.079 0.000 1.104 315 E HN 0.473 nan 8.360 nan 0.000 0.395 316 V N 4.360 124.309 119.914 0.057 0.000 2.521 316 V HA 0.167 4.287 4.120 -0.000 0.000 0.286 316 V C 1.063 177.167 176.094 0.018 0.000 1.034 316 V CA 0.840 63.156 62.300 0.027 0.000 1.045 316 V CB 1.174 33.014 31.823 0.028 0.000 0.974 316 V HN 0.949 nan 8.190 nan 0.000 0.480 317 G N 3.612 112.414 108.800 0.003 0.000 2.720 317 G HA2 0.220 4.180 3.960 -0.000 0.000 0.204 317 G HA3 0.220 4.180 3.960 -0.000 0.000 0.204 317 G C 0.428 175.328 174.900 -0.001 0.000 1.113 317 G CA 0.293 45.394 45.100 0.001 0.000 0.805 317 G HN 0.616 nan 8.290 nan 0.000 0.536 318 T N 0.149 114.702 114.554 -0.002 0.000 2.952 318 T HA 0.555 4.905 4.350 -0.000 0.000 0.305 318 T C -1.399 173.309 174.700 0.014 0.000 1.064 318 T CA -0.313 61.788 62.100 0.003 0.000 1.008 318 T CB 2.847 71.714 68.868 -0.002 0.000 1.078 318 T HN -0.041 nan 8.240 nan 0.000 0.459 319 V N 3.146 123.070 119.914 0.017 0.000 2.483 319 V HA 0.614 4.734 4.120 -0.000 0.000 0.297 319 V C -0.308 175.803 176.094 0.029 0.000 1.027 319 V CA -0.739 61.577 62.300 0.027 0.000 0.855 319 V CB 1.763 33.598 31.823 0.019 0.000 0.995 319 V HN 0.760 nan 8.190 nan 0.000 0.424 320 K N 2.844 123.277 120.400 0.056 0.000 2.507 320 K HA 0.443 4.762 4.320 -0.000 0.000 0.252 320 K C -1.372 175.275 176.600 0.079 0.000 0.943 320 K CA -0.644 55.670 56.287 0.045 0.000 0.808 320 K CB 1.874 34.387 32.500 0.020 0.000 1.142 320 K HN 0.715 nan 8.250 nan 0.000 0.426 321 D N 2.963 123.387 120.400 0.040 0.000 2.325 321 D HA 0.166 4.806 4.640 -0.000 0.000 0.251 321 D C -0.945 175.410 176.300 0.091 0.000 1.196 321 D CA -0.141 53.890 54.000 0.052 0.000 0.866 321 D CB 0.939 41.714 40.800 -0.042 0.000 1.101 321 D HN 0.094 nan 8.370 nan 0.000 0.476 322 V N 5.029 125.047 119.914 0.174 0.000 2.398 322 V HA 0.188 4.308 4.120 -0.000 0.000 0.286 322 V C -0.069 176.152 176.094 0.212 0.000 1.026 322 V CA -1.026 61.361 62.300 0.145 0.000 0.868 322 V CB 1.519 33.373 31.823 0.053 0.000 0.982 322 V HN 0.581 nan 8.190 nan 0.000 0.443 323 D N 4.874 125.375 120.400 0.169 0.000 2.371 323 D HA 0.064 4.704 4.640 -0.000 0.000 0.256 323 D C 0.827 177.102 176.300 -0.041 0.000 1.193 323 D CA -0.147 53.864 54.000 0.019 0.000 0.881 323 D CB 1.983 42.787 40.800 0.007 0.000 1.143 323 D HN 0.427 nan 8.370 nan 0.000 0.473 324 V N -0.199 119.653 119.914 -0.104 0.000 3.556 324 V HA 0.231 4.351 4.120 -0.000 0.000 0.287 324 V C 0.488 176.542 176.094 -0.067 0.000 1.422 324 V CA 0.643 62.914 62.300 -0.048 0.000 1.038 324 V CB -0.376 31.443 31.823 -0.007 0.000 0.850 324 V HN 0.753 nan 8.190 nan 0.000 0.437 325 S N -0.760 114.871 115.700 -0.116 0.000 2.724 325 S HA 0.761 5.230 4.470 -0.000 0.000 0.278 325 S C 0.793 175.324 174.600 -0.116 0.000 1.190 325 S CA 0.167 58.314 58.200 -0.089 0.000 0.860 325 S CB 0.960 64.118 63.200 -0.071 0.000 1.206 325 S HN 1.082 nan 8.310 nan 0.000 0.507 326 A N 0.311 123.085 122.820 -0.078 0.000 2.168 326 A HA 0.227 4.547 4.320 -0.000 0.000 0.215 326 A C 1.772 179.308 177.584 -0.079 0.000 1.152 326 A CA 1.911 53.909 52.037 -0.065 0.000 0.716 326 A CB -1.174 17.807 19.000 -0.032 0.000 0.794 326 A HN 1.468 nan 8.150 nan 0.000 0.465 327 T N -5.028 109.462 114.554 -0.106 0.000 2.980 327 T HA 0.597 4.947 4.350 -0.000 0.000 0.252 327 T C 0.667 175.280 174.700 -0.145 0.000 0.962 327 T CA 0.572 62.625 62.100 -0.078 0.000 0.932 327 T CB -0.136 68.718 68.868 -0.024 0.000 1.188 327 T HN 0.576 nan 8.240 nan 0.000 0.500 328 A N 1.383 124.069 122.820 -0.224 0.000 2.294 328 A HA 0.768 5.088 4.320 -0.000 0.000 0.330 328 A C -0.738 176.577 177.584 -0.448 0.000 1.133 328 A CA -0.684 51.231 52.037 -0.202 0.000 0.836 328 A CB 0.715 19.661 19.000 -0.091 0.000 1.190 328 A HN 0.537 nan 8.150 nan 0.000 0.492 329 H N 0.025 119.096 119.070 0.000 0.000 2.980 329 H HA 0.556 5.112 4.556 -0.000 0.000 0.367 329 H C -0.937 174.382 175.328 -0.015 0.000 1.206 329 H CA -0.605 55.448 56.048 0.007 0.000 1.126 329 H CB 1.961 31.729 29.762 0.010 0.000 1.838 329 H HN 0.769 nan 8.280 nan 0.000 0.552 330 R N 1.277 121.867 120.500 0.150 0.000 2.628 330 R HA 0.345 4.685 4.340 -0.000 0.000 0.288 330 R C -0.962 175.392 176.300 0.091 0.000 0.980 330 R CA -0.954 55.166 56.100 0.033 0.000 0.891 330 R CB 1.917 32.212 30.300 -0.008 0.000 1.188 330 R HN 0.447 nan 8.270 nan 0.000 0.450 331 R N 3.378 123.857 120.500 -0.036 0.000 2.205 331 R HA 0.177 4.516 4.340 -0.000 0.000 0.342 331 R C -1.496 174.787 176.300 -0.028 0.000 1.058 331 R CA -0.111 55.995 56.100 0.009 0.000 0.904 331 R CB 0.011 30.293 30.300 -0.029 0.000 1.089 331 R HN 0.434 nan 8.270 nan 0.000 0.471 332 Y N 3.330 123.610 120.300 -0.032 0.000 2.436 332 Y HA 0.232 4.782 4.550 -0.000 0.000 0.343 332 Y C 0.032 175.912 175.900 -0.034 0.000 1.008 332 Y CA -0.274 57.805 58.100 -0.034 0.000 1.241 332 Y CB 1.265 39.709 38.460 -0.028 0.000 1.153 332 Y HN 0.199 nan 8.280 nan 0.000 0.521 333 V N 4.191 124.126 119.914 0.034 0.000 2.313 333 V HA 0.276 4.396 4.120 -0.000 0.000 0.278 333 V C -0.137 175.952 176.094 -0.008 0.000 1.017 333 V CA -0.744 61.561 62.300 0.009 0.000 0.823 333 V CB 0.922 32.734 31.823 -0.019 0.000 1.010 333 V HN 0.743 nan 8.190 nan 0.000 0.443 334 S N 3.608 119.309 115.700 0.002 0.000 2.562 334 S HA 0.692 5.162 4.470 -0.000 0.000 0.275 334 S C -0.118 174.440 174.600 -0.070 0.000 1.281 334 S CA -0.316 57.865 58.200 -0.031 0.000 1.045 334 S CB 1.930 65.121 63.200 -0.015 0.000 0.962 334 S HN 0.475 nan 8.310 nan 0.000 0.503 335 V N 1.245 121.080 119.914 -0.133 0.000 3.156 335 V HA 0.312 4.432 4.120 -0.000 0.000 0.311 335 V C 0.382 176.389 176.094 -0.146 0.000 1.208 335 V CA -0.613 61.577 62.300 -0.183 0.000 1.063 335 V CB 2.275 33.838 31.823 -0.434 0.000 1.098 335 V HN 0.854 nan 8.190 nan 0.000 0.452 336 D N -0.090 120.277 120.400 -0.055 0.000 2.347 336 D HA 0.165 4.804 4.640 -0.000 0.000 0.215 336 D C 0.572 176.928 176.300 0.093 0.000 0.976 336 D CA 1.302 55.345 54.000 0.072 0.000 0.884 336 D CB 0.478 41.410 40.800 0.219 0.000 0.915 336 D HN 0.676 nan 8.370 nan 0.000 0.526 337 G N -1.724 107.115 108.800 0.065 0.000 3.418 337 G HA2 0.578 4.538 3.960 -0.000 0.000 0.179 337 G HA3 0.578 4.538 3.960 -0.000 0.000 0.179 337 G C 0.278 175.213 174.900 0.057 0.000 1.212 337 G CA 0.260 45.443 45.100 0.138 0.000 0.935 337 G HN 0.443 nan 8.290 nan 0.000 0.716 338 G N -0.966 107.949 108.800 0.191 0.000 2.288 338 G HA2 0.252 4.211 3.960 -0.000 0.000 0.227 338 G HA3 0.252 4.211 3.960 -0.000 0.000 0.227 338 G C 1.223 176.277 174.900 0.256 0.000 1.339 338 G CA 0.641 45.866 45.100 0.210 0.000 1.057 338 G HN 1.339 nan 8.290 nan 0.000 0.470 339 M N 0.889 120.617 119.600 0.213 0.000 2.426 339 M HA 0.002 4.482 4.480 -0.000 0.000 0.261 339 M C 2.234 178.554 176.300 0.034 0.000 1.068 339 M CA 3.067 58.404 55.300 0.062 0.000 1.066 339 M CB -0.806 31.779 32.600 -0.026 0.000 1.399 339 M HN 0.903 nan 8.290 nan 0.000 0.449 340 S N 1.677 117.439 115.700 0.103 0.000 2.382 340 S HA -0.197 4.272 4.470 -0.000 0.000 0.228 340 S C 1.156 175.859 174.600 0.171 0.000 1.027 340 S CA 1.520 59.806 58.200 0.144 0.000 0.991 340 S CB -0.736 62.647 63.200 0.305 0.000 0.823 340 S HN 0.834 nan 8.310 nan 0.000 0.469 341 D N -0.457 120.085 120.400 0.236 0.000 2.417 341 D HA 0.196 4.836 4.640 -0.000 0.000 0.207 341 D C 0.280 176.766 176.300 0.309 0.000 1.075 341 D CA -0.281 53.901 54.000 0.302 0.000 0.851 341 D CB -0.037 40.952 40.800 0.316 0.000 0.976 341 D HN 0.349 nan 8.370 nan 0.000 0.505 342 N N 0.345 119.170 118.700 0.209 0.000 2.827 342 N HA 0.124 4.864 4.740 -0.000 0.000 0.240 342 N C -0.941 174.645 175.510 0.128 0.000 1.352 342 N CA -0.428 52.724 53.050 0.170 0.000 0.760 342 N CB 0.680 39.209 38.487 0.070 0.000 1.426 342 N HN 0.171 nan 8.380 nan 0.000 0.561 343 I N 1.899 122.540 120.570 0.118 0.000 3.684 343 I HA 0.136 4.306 4.170 -0.000 0.000 0.304 343 I C 1.706 177.845 176.117 0.036 0.000 1.278 343 I CA 0.300 61.624 61.300 0.040 0.000 1.272 343 I CB 0.180 38.166 38.000 -0.024 0.000 1.029 343 I HN 0.354 nan 8.210 nan 0.000 0.458 344 R N -0.457 120.144 120.500 0.169 0.000 2.115 344 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 344 R C 2.015 178.428 176.300 0.189 0.000 1.111 344 R CA 1.823 58.076 56.100 0.256 0.000 0.976 344 R CB -0.517 30.055 30.300 0.453 0.000 0.870 344 R HN 0.336 nan 8.270 nan 0.000 0.445 345 T N 1.021 115.696 114.554 0.202 0.000 2.674 345 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 345 T C 1.987 176.713 174.700 0.044 0.000 1.039 345 T CA 1.522 63.703 62.100 0.135 0.000 1.150 345 T CB -0.265 68.695 68.868 0.153 0.000 0.864 345 T HN 0.360 nan 8.240 nan 0.000 0.427 346 A N 0.977 123.805 122.820 0.012 0.000 1.902 346 A HA -0.010 4.309 4.320 -0.000 0.000 0.217 346 A C 2.237 179.756 177.584 -0.107 0.000 1.181 346 A CA 1.285 53.300 52.037 -0.038 0.000 0.623 346 A CB -0.700 18.272 19.000 -0.046 0.000 0.818 346 A HN 0.386 nan 8.150 nan 0.000 0.443 347 L N -2.242 118.864 121.223 -0.195 0.000 2.095 347 L HA 0.068 4.408 4.340 -0.000 0.000 0.204 347 L C 1.556 178.153 176.870 -0.457 0.000 1.080 347 L CA 1.765 56.340 54.840 -0.440 0.000 0.759 347 L CB -0.439 41.174 42.059 -0.744 0.000 0.914 347 L HN 0.491 nan 8.230 nan 0.000 0.439 348 Y N -1.350 118.925 120.300 -0.041 0.000 2.527 348 Y HA 0.443 4.992 4.550 -0.001 0.000 0.247 348 Y C 1.548 177.395 175.900 -0.087 0.000 1.138 348 Y CA -0.049 58.006 58.100 -0.075 0.000 1.228 348 Y CB 0.337 38.738 38.460 -0.099 0.000 1.252 348 Y HN 0.153 nan 8.280 nan 0.000 0.531 349 G N 1.316 110.144 108.800 0.047 0.000 2.179 349 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 349 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 349 G C 0.458 175.348 174.900 -0.017 0.000 1.010 349 G CA 0.059 45.165 45.100 0.011 0.000 0.736 349 G HN 0.626 nan 8.290 nan 0.000 0.513 350 A N -0.886 121.927 122.820 -0.010 0.000 2.507 350 A HA 0.529 4.849 4.320 -0.000 0.000 0.235 350 A C 0.576 178.046 177.584 -0.191 0.000 1.070 350 A CA 0.835 52.758 52.037 -0.189 0.000 0.768 350 A CB 0.269 19.134 19.000 -0.225 0.000 1.011 350 A HN 0.662 nan 8.150 nan 0.000 0.502 351 Q N -0.112 119.470 119.800 -0.363 0.000 2.340 351 Q HA 0.569 4.909 4.340 -0.000 0.000 0.268 351 Q C -1.805 174.034 176.000 -0.268 0.000 1.031 351 Q CA -0.108 55.591 55.803 -0.173 0.000 0.804 351 Q CB 2.032 30.729 28.738 -0.069 0.000 1.286 351 Q HN 0.747 nan 8.270 nan 0.000 0.448 352 Y N -0.027 120.305 120.300 0.054 0.000 2.562 352 Y HA 0.317 4.867 4.550 -0.000 0.000 0.343 352 Y C -0.450 175.528 175.900 0.130 0.000 1.025 352 Y CA -1.006 57.161 58.100 0.113 0.000 1.082 352 Y CB 1.836 40.357 38.460 0.102 0.000 1.264 352 Y HN 0.537 nan 8.280 nan 0.000 0.478 353 D N 1.125 121.712 120.400 0.311 0.000 2.232 353 D HA 0.427 5.066 4.640 -0.000 0.000 0.242 353 D C -1.529 174.954 176.300 0.304 0.000 1.093 353 D CA -0.158 54.010 54.000 0.280 0.000 0.845 353 D CB 1.526 42.483 40.800 0.261 0.000 1.124 353 D HN 0.333 nan 8.370 nan 0.000 0.467 354 V N 4.246 124.358 119.914 0.330 0.000 2.680 354 V HA 0.799 4.919 4.120 -0.000 0.000 0.309 354 V C -1.298 175.007 176.094 0.351 0.000 1.052 354 V CA -0.523 61.978 62.300 0.334 0.000 0.908 354 V CB 1.711 33.666 31.823 0.221 0.000 1.001 354 V HN 0.523 nan 8.190 nan 0.000 0.431 355 R N 3.691 124.408 120.500 0.361 0.000 2.673 355 R HA 0.602 4.942 4.340 -0.000 0.000 0.281 355 R C -1.315 175.061 176.300 0.128 0.000 0.991 355 R CA -0.700 55.522 56.100 0.203 0.000 0.896 355 R CB 1.727 32.060 30.300 0.054 0.000 1.201 355 R HN 0.812 nan 8.270 nan 0.000 0.457 356 L N 3.755 125.022 121.223 0.072 0.000 2.410 356 L HA 0.244 4.584 4.340 -0.000 0.000 0.273 356 L C 0.497 177.368 176.870 0.001 0.000 1.144 356 L CA 0.463 55.332 54.840 0.049 0.000 0.863 356 L CB 1.061 43.146 42.059 0.043 0.000 1.140 356 L HN 0.625 nan 8.230 nan 0.000 0.463 357 V N 0.501 120.422 119.914 0.011 0.000 3.432 357 V HA 0.226 4.346 4.120 -0.000 0.000 0.298 357 V C 1.153 177.243 176.094 -0.006 0.000 1.464 357 V CA 0.850 63.137 62.300 -0.021 0.000 1.046 357 V CB -0.056 31.762 31.823 -0.009 0.000 0.887 357 V HN 0.862 nan 8.190 nan 0.000 0.441 358 S N 1.116 116.823 115.700 0.010 0.000 2.503 358 S HA 0.349 4.819 4.470 -0.000 0.000 0.215 358 S C 0.837 175.441 174.600 0.006 0.000 1.003 358 S CA -0.007 58.202 58.200 0.014 0.000 0.910 358 S CB -0.060 63.155 63.200 0.025 0.000 0.790 358 S HN 0.891 nan 8.310 nan 0.000 0.514 359 R N -0.752 119.750 120.500 0.002 0.000 2.733 359 R HA 0.702 5.042 4.340 -0.000 0.000 0.272 359 R C -2.068 174.229 176.300 -0.005 0.000 1.029 359 R CA -1.013 55.088 56.100 0.001 0.000 0.888 359 R CB 1.163 31.467 30.300 0.008 0.000 1.251 359 R HN -0.040 nan 8.270 nan 0.000 0.464 360 V N 1.325 121.236 119.914 -0.005 0.000 2.370 360 V HA 0.306 4.425 4.120 -0.000 0.000 0.279 360 V C -0.083 176.014 176.094 0.005 0.000 1.029 360 V CA -0.338 61.959 62.300 -0.004 0.000 0.870 360 V CB 1.471 33.288 31.823 -0.008 0.000 0.984 360 V HN 0.773 nan 8.190 nan 0.000 0.451 361 S N 2.766 118.472 115.700 0.011 0.000 2.554 361 S HA 0.287 4.757 4.470 -0.000 0.000 0.278 361 S C 0.494 175.104 174.600 0.016 0.000 1.242 361 S CA -0.675 57.535 58.200 0.017 0.000 1.051 361 S CB 0.830 64.045 63.200 0.026 0.000 0.986 361 S HN 0.776 nan 8.310 nan 0.000 0.502 362 D N 2.376 122.786 120.400 0.016 0.000 2.363 362 D HA 0.236 4.876 4.640 -0.000 0.000 0.214 362 D C 0.486 176.799 176.300 0.021 0.000 1.093 362 D CA 0.081 54.090 54.000 0.016 0.000 0.837 362 D CB 0.310 41.117 40.800 0.011 0.000 0.948 362 D HN 0.551 nan 8.370 nan 0.000 0.507 363 A N 2.392 125.228 122.820 0.027 0.000 2.407 363 A HA 0.426 4.745 4.320 -0.000 0.000 0.248 363 A C -2.136 175.475 177.584 0.045 0.000 1.082 363 A CA -0.907 51.150 52.037 0.034 0.000 0.785 363 A CB 0.123 19.143 19.000 0.034 0.000 1.020 363 A HN -0.088 nan 8.150 nan 0.000 0.489 364 P HA 0.316 nan 4.420 nan 0.000 0.272 364 P C -2.743 174.619 177.300 0.103 0.000 1.223 364 P CA -1.365 61.774 63.100 0.064 0.000 0.784 364 P CB -0.326 31.410 31.700 0.060 0.000 0.923 365 P HA 0.193 nan 4.420 nan 0.000 0.272 365 P C -0.642 176.872 177.300 0.357 0.000 1.223 365 P CA 0.084 63.333 63.100 0.248 0.000 0.784 365 P CB 0.516 32.357 31.700 0.236 0.000 0.923 366 V N 3.312 123.454 119.914 0.378 0.000 2.777 366 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 366 V C -2.454 173.568 176.094 -0.120 0.000 1.112 366 V CA -2.267 60.138 62.300 0.176 0.000 0.917 366 V CB 2.623 34.497 31.823 0.084 0.000 1.018 366 V HN 0.518 nan 8.190 nan 0.000 0.426 367 P HA 0.349 nan 4.420 nan 0.000 0.265 367 P C -0.873 176.120 177.300 -0.512 0.000 1.193 367 P CA 0.255 62.751 63.100 -1.008 0.000 0.765 367 P CB 1.171 32.402 31.700 -0.781 0.000 0.823 368 A N 3.265 125.777 122.820 -0.513 0.000 2.593 368 A HA 0.778 5.098 4.320 -0.000 0.000 0.290 368 A C -0.920 176.442 177.584 -0.369 0.000 1.126 368 A CA -0.832 51.004 52.037 -0.335 0.000 0.695 368 A CB 1.775 20.659 19.000 -0.194 0.000 1.290 368 A HN 0.532 nan 8.150 nan 0.000 0.414 369 R N 0.378 120.615 120.500 -0.438 0.000 2.532 369 R HA 0.609 4.949 4.340 -0.000 0.000 0.297 369 R C -2.047 174.079 176.300 -0.291 0.000 0.984 369 R CA -0.599 55.236 56.100 -0.441 0.000 0.884 369 R CB 1.402 31.206 30.300 -0.827 0.000 1.182 369 R HN 0.687 nan 8.270 nan 0.000 0.442 370 L N 6.208 127.337 121.223 -0.157 0.000 2.265 370 L HA 0.461 4.801 4.340 -0.000 0.000 0.288 370 L C -0.832 175.981 176.870 -0.095 0.000 1.058 370 L CA -0.270 54.503 54.840 -0.110 0.000 0.809 370 L CB 1.501 43.512 42.059 -0.080 0.000 1.179 370 L HN 0.506 nan 8.230 nan 0.000 0.429 371 V N 2.434 122.304 119.914 -0.074 0.000 2.914 371 V HA 1.003 5.123 4.120 -0.000 0.000 0.314 371 V C 0.308 176.353 176.094 -0.082 0.000 1.084 371 V CA -0.144 62.142 62.300 -0.023 0.000 0.963 371 V CB 1.119 33.003 31.823 0.102 0.000 1.025 371 V HN 0.762 nan 8.190 nan 0.000 0.432 372 G N 1.733 110.508 108.800 -0.043 0.000 2.543 372 G HA2 0.462 4.422 3.960 -0.000 0.000 0.267 372 G HA3 0.462 4.422 3.960 -0.000 0.000 0.267 372 G C 0.252 175.113 174.900 -0.065 0.000 1.406 372 G CA -0.204 44.854 45.100 -0.070 0.000 1.048 372 G HN 1.146 nan 8.290 nan 0.000 0.548 373 K N -1.226 119.080 120.400 -0.157 0.000 2.358 373 K HA 0.254 4.574 4.320 -0.000 0.000 0.200 373 K C -0.090 176.367 176.600 -0.238 0.000 1.030 373 K CA -0.263 55.911 56.287 -0.190 0.000 1.097 373 K CB 0.085 32.461 32.500 -0.208 0.000 0.862 373 K HN 0.477 nan 8.250 nan 0.000 0.534 374 H N 0.134 119.188 119.070 -0.027 0.000 2.629 374 H HA 0.133 4.689 4.556 0.000 0.000 0.357 374 H C -0.167 175.128 175.328 -0.055 0.000 1.121 374 H CA -0.535 55.472 56.048 -0.069 0.000 1.406 374 H CB 0.899 30.665 29.762 0.007 0.000 1.456 374 H HN 0.158 nan 8.280 nan 0.000 0.579 375 C N 2.981 122.289 119.300 0.013 0.000 3.305 375 C HA 0.135 4.595 4.460 -0.000 0.000 0.566 375 C C 0.512 175.535 174.990 0.055 0.000 1.178 375 C CA 0.151 59.167 59.018 -0.003 0.000 1.317 375 C CB -2.278 25.429 27.740 -0.054 0.000 1.634 375 C HN 0.694 nan 8.230 nan 0.000 0.643 376 E N -0.486 119.778 120.200 0.107 0.000 2.311 376 E HA 0.183 4.533 4.350 -0.000 0.000 0.281 376 E C 0.424 177.080 176.600 0.093 0.000 0.905 376 E CA -0.285 56.189 56.400 0.123 0.000 0.778 376 E CB 1.323 31.157 29.700 0.224 0.000 1.240 376 E HN 0.136 nan 8.360 nan 0.000 0.410 377 S N 2.274 118.010 115.700 0.059 0.000 2.374 377 S HA -0.163 4.307 4.470 -0.000 0.000 0.227 377 S C 1.524 176.165 174.600 0.068 0.000 1.037 377 S CA 1.607 59.836 58.200 0.049 0.000 1.024 377 S CB -0.125 63.092 63.200 0.029 0.000 0.861 377 S HN 0.691 nan 8.310 nan 0.000 0.456 378 G N 0.648 109.484 108.800 0.061 0.000 2.848 378 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.208 378 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.208 378 G C 0.182 175.119 174.900 0.062 0.000 1.152 378 G CA -0.036 45.095 45.100 0.051 0.000 0.789 378 G HN 0.433 nan 8.290 nan 0.000 0.531 379 D N 0.959 121.416 120.400 0.096 0.000 2.545 379 D HA 0.190 4.830 4.640 -0.000 0.000 0.227 379 D C -0.005 176.351 176.300 0.094 0.000 1.150 379 D CA -0.146 53.926 54.000 0.120 0.000 1.046 379 D CB -0.557 40.367 40.800 0.206 0.000 1.098 379 D HN 0.129 nan 8.370 nan 0.000 0.502 380 I N 3.733 124.343 120.570 0.067 0.000 2.436 380 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 380 I C 1.071 177.208 176.117 0.033 0.000 1.010 380 I CA -0.779 60.548 61.300 0.045 0.000 1.098 380 I CB 2.070 40.097 38.000 0.045 0.000 1.266 380 I HN 0.188 nan 8.210 nan 0.000 0.434 381 I N 5.150 125.720 120.570 -0.001 0.000 2.556 381 I HA 0.097 4.266 4.170 -0.000 0.000 0.251 381 I C 0.097 176.240 176.117 0.044 0.000 1.105 381 I CA 0.779 62.073 61.300 -0.009 0.000 1.436 381 I CB 0.335 38.274 38.000 -0.102 0.000 1.139 381 I HN 0.219 nan 8.210 nan 0.000 0.438 382 V N 1.472 121.403 119.914 0.027 0.000 2.447 382 V HA 0.285 4.405 4.120 -0.000 0.000 0.292 382 V C 0.795 176.892 176.094 0.006 0.000 1.021 382 V CA -0.652 61.691 62.300 0.071 0.000 0.850 382 V CB 1.798 33.677 31.823 0.093 0.000 1.005 382 V HN 0.136 nan 8.190 nan 0.000 0.426 383 R N 1.894 122.405 120.500 0.018 0.000 2.082 383 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 383 R C -0.039 176.215 176.300 -0.076 0.000 1.136 383 R CA 1.469 57.552 56.100 -0.028 0.000 0.935 383 R CB 0.297 30.596 30.300 -0.001 0.000 0.842 383 R HN 0.717 nan 8.270 nan 0.000 0.430 384 D N -0.415 119.966 120.400 -0.032 0.000 2.620 384 D HA 0.200 4.840 4.640 -0.000 0.000 0.252 384 D C -0.842 175.456 176.300 -0.004 0.000 1.207 384 D CA -0.008 53.953 54.000 -0.065 0.000 0.884 384 D CB 2.205 42.993 40.800 -0.020 0.000 1.262 384 D HN 0.091 nan 8.370 nan 0.000 0.552 385 T N 0.731 115.221 114.554 -0.105 0.000 2.671 385 T HA 0.613 4.963 4.350 -0.000 0.000 0.300 385 T C -1.897 172.688 174.700 -0.190 0.000 1.238 385 T CA -0.505 61.624 62.100 0.049 0.000 1.020 385 T CB 0.845 69.769 68.868 0.094 0.000 1.503 385 T HN 0.299 nan 8.240 nan 0.000 0.497 386 W N 1.258 122.583 121.300 0.042 0.000 2.883 386 W HA 0.674 5.334 4.660 -0.000 0.000 0.335 386 W C -0.688 175.856 176.519 0.041 0.000 1.083 386 W CA -0.574 56.793 57.345 0.037 0.000 1.233 386 W CB 1.785 31.271 29.460 0.044 0.000 1.412 386 W HN 0.566 nan 8.180 nan 0.000 0.490 387 V N 0.251 120.290 119.914 0.209 0.000 3.040 387 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 387 V C -2.846 173.331 176.094 0.138 0.000 1.115 387 V CA -3.550 58.834 62.300 0.140 0.000 0.998 387 V CB 1.838 33.702 31.823 0.068 0.000 1.042 387 V HN 0.263 nan 8.190 nan 0.000 0.433 388 P HA 0.157 nan 4.420 nan 0.000 0.266 388 P C 0.106 177.446 177.300 0.067 0.000 1.195 388 P CA 0.309 63.459 63.100 0.083 0.000 0.768 388 P CB 0.482 32.219 31.700 0.060 0.000 0.838 389 D N 1.801 122.240 120.400 0.064 0.000 2.265 389 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 389 D C 0.801 177.120 176.300 0.031 0.000 0.977 389 D CA 1.251 55.279 54.000 0.046 0.000 0.871 389 D CB -0.173 40.655 40.800 0.046 0.000 0.925 389 D HN 0.389 nan 8.370 nan 0.000 0.485 390 D N -0.592 119.826 120.400 0.031 0.000 2.368 390 D HA -0.012 4.628 4.640 -0.000 0.000 0.218 390 D C 0.881 177.195 176.300 0.024 0.000 1.112 390 D CA -0.585 53.428 54.000 0.023 0.000 0.834 390 D CB -0.975 39.838 40.800 0.021 0.000 0.953 390 D HN 0.265 nan 8.370 nan 0.000 0.505 391 I N 1.683 122.271 120.570 0.029 0.000 2.919 391 I HA -0.057 4.113 4.170 -0.000 0.000 0.303 391 I C 0.390 176.520 176.117 0.022 0.000 1.221 391 I CA 0.507 61.824 61.300 0.028 0.000 1.444 391 I CB 0.184 38.203 38.000 0.033 0.000 1.331 391 I HN 0.162 nan 8.210 nan 0.000 0.572 392 R N 5.531 126.044 120.500 0.022 0.000 2.710 392 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 392 R C -3.019 173.292 176.300 0.018 0.000 1.021 392 R CA -1.940 54.170 56.100 0.017 0.000 0.889 392 R CB 0.754 31.063 30.300 0.015 0.000 1.243 392 R HN 0.185 nan 8.270 nan 0.000 0.464 393 P HA 0.049 nan 4.420 nan 0.000 0.264 393 P C 0.510 177.821 177.300 0.019 0.000 1.183 393 P CA 1.817 64.926 63.100 0.015 0.000 0.763 393 P CB 0.792 32.498 31.700 0.010 0.000 0.807 394 G N 1.884 110.698 108.800 0.024 0.000 2.258 394 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.233 394 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.233 394 G C 0.039 174.958 174.900 0.031 0.000 1.006 394 G CA -0.316 44.800 45.100 0.026 0.000 0.620 394 G HN 0.505 nan 8.290 nan 0.000 0.511 395 D N 0.935 121.355 120.400 0.032 0.000 2.423 395 D HA 0.440 5.080 4.640 -0.000 0.000 0.238 395 D C 0.963 177.294 176.300 0.052 0.000 1.142 395 D CA 0.333 54.356 54.000 0.038 0.000 0.884 395 D CB 0.742 41.565 40.800 0.038 0.000 1.199 395 D HN 0.394 nan 8.370 nan 0.000 0.438 396 L N 1.425 122.682 121.223 0.056 0.000 2.295 396 L HA 0.445 4.785 4.340 -0.000 0.000 0.285 396 L C 0.207 177.130 176.870 0.089 0.000 1.035 396 L CA -1.011 53.874 54.840 0.075 0.000 0.806 396 L CB 1.393 43.490 42.059 0.064 0.000 1.214 396 L HN 0.117 nan 8.230 nan 0.000 0.426 397 V N 0.110 120.102 119.914 0.130 0.000 2.815 397 V HA 0.996 5.116 4.120 -0.000 0.000 0.314 397 V C -0.240 175.977 176.094 0.204 0.000 1.064 397 V CA -0.608 61.789 62.300 0.162 0.000 0.952 397 V CB 1.718 33.641 31.823 0.166 0.000 1.020 397 V HN 0.837 nan 8.190 nan 0.000 0.439 398 A N 2.736 125.704 122.820 0.246 0.000 2.371 398 A HA 0.858 5.178 4.320 -0.000 0.000 0.311 398 A C -0.813 176.966 177.584 0.324 0.000 1.068 398 A CA -0.703 51.490 52.037 0.261 0.000 0.744 398 A CB 1.918 21.111 19.000 0.321 0.000 1.239 398 A HN 1.263 nan 8.150 nan 0.000 0.435 399 V N 2.110 122.106 119.914 0.137 0.000 2.394 399 V HA 0.591 4.711 4.120 -0.000 0.000 0.282 399 V C 0.832 176.845 176.094 -0.135 0.000 1.031 399 V CA -0.220 62.110 62.300 0.050 0.000 0.881 399 V CB 1.083 32.907 31.823 0.001 0.000 0.982 399 V HN 1.185 nan 8.190 nan 0.000 0.451 400 A N 4.163 126.786 122.820 -0.328 0.000 2.332 400 A HA 0.702 5.022 4.320 -0.000 0.000 0.258 400 A C 1.119 178.618 177.584 -0.142 0.000 1.087 400 A CA 0.228 51.872 52.037 -0.654 0.000 0.802 400 A CB 0.258 18.381 19.000 -1.463 0.000 1.042 400 A HN 2.366 nan 8.150 nan 0.000 0.489 401 A N 0.695 123.420 122.820 -0.159 0.000 2.791 401 A HA -0.115 4.205 4.320 -0.000 0.000 0.292 401 A C 0.953 178.701 177.584 0.272 0.000 1.487 401 A CA 1.543 53.579 52.037 -0.002 0.000 0.760 401 A CB -2.505 16.401 19.000 -0.157 0.000 1.031 401 A HN 2.217 nan 8.150 nan 0.000 0.503 402 T N -3.572 111.106 114.554 0.207 0.000 3.163 402 T HA 0.410 4.760 4.350 -0.000 0.000 0.252 402 T C 1.613 176.492 174.700 0.299 0.000 1.056 402 T CA 1.130 63.410 62.100 0.301 0.000 0.947 402 T CB 0.362 69.314 68.868 0.141 0.000 1.016 402 T HN 1.388 nan 8.240 nan 0.000 0.554 403 G N 1.199 110.108 108.800 0.183 0.000 2.509 403 G HA2 0.341 4.301 3.960 -0.000 0.000 0.218 403 G HA3 0.341 4.301 3.960 -0.000 0.000 0.218 403 G C 0.557 175.494 174.900 0.061 0.000 1.124 403 G CA 0.238 45.383 45.100 0.075 0.000 0.776 403 G HN 0.839 nan 8.290 nan 0.000 0.547 404 A N -1.061 121.852 122.820 0.155 0.000 2.318 404 A HA 0.635 4.954 4.320 -0.000 0.000 0.317 404 A C -0.030 177.695 177.584 0.234 0.000 1.159 404 A CA -0.769 51.311 52.037 0.072 0.000 0.799 404 A CB 0.606 19.676 19.000 0.117 0.000 1.194 404 A HN 0.676 nan 8.150 nan 0.000 0.479 405 Y N -0.177 120.268 120.300 0.242 0.000 4.668 405 Y HA -0.326 4.224 4.550 -0.000 0.000 0.234 405 Y C 1.472 177.528 175.900 0.260 0.000 1.056 405 Y CA 0.625 58.867 58.100 0.236 0.000 2.025 405 Y CB -2.570 36.023 38.460 0.222 0.000 1.613 405 Y HN 0.644 nan 8.280 nan 0.000 0.653 406 C N -2.500 117.011 119.300 0.351 0.000 2.519 406 C HA 0.023 4.483 4.460 -0.000 0.000 0.297 406 C C 2.461 177.622 174.990 0.285 0.000 1.414 406 C CA 0.767 60.011 59.018 0.377 0.000 1.893 406 C CB -1.050 26.985 27.740 0.492 0.000 2.134 406 C HN 0.638 nan 8.230 nan 0.000 0.580 407 Y N 2.141 122.403 120.300 -0.064 0.000 2.145 407 Y HA -0.212 4.337 4.550 -0.000 0.000 0.286 407 Y C 2.689 178.598 175.900 0.015 0.000 1.145 407 Y CA 2.088 60.045 58.100 -0.239 0.000 1.148 407 Y CB -0.441 37.578 38.460 -0.735 0.000 0.981 407 Y HN 0.243 nan 8.280 nan 0.000 0.507 408 S N 0.203 116.074 115.700 0.285 0.000 2.392 408 S HA -0.230 4.240 4.470 -0.000 0.000 0.232 408 S C 1.635 176.309 174.600 0.124 0.000 1.041 408 S CA 1.815 60.148 58.200 0.222 0.000 1.026 408 S CB -0.496 62.837 63.200 0.221 0.000 0.845 408 S HN 0.455 nan 8.310 nan 0.000 0.465 409 L N 1.687 122.991 121.223 0.135 0.000 2.667 409 L HA 0.179 4.519 4.340 -0.000 0.000 0.232 409 L C 0.784 177.670 176.870 0.027 0.000 1.138 409 L CA -0.359 54.541 54.840 0.101 0.000 0.921 409 L CB -0.128 42.031 42.059 0.166 0.000 1.180 409 L HN 0.192 nan 8.230 nan 0.000 0.487 410 S N -0.168 115.504 115.700 -0.047 0.000 2.563 410 S HA 0.285 4.755 4.470 -0.000 0.000 0.284 410 S C 0.318 174.878 174.600 -0.067 0.000 1.331 410 S CA -0.396 57.754 58.200 -0.084 0.000 1.047 410 S CB 1.056 64.096 63.200 -0.268 0.000 0.859 410 S HN 0.298 nan 8.310 nan 0.000 0.514 411 S N 2.032 117.722 115.700 -0.018 0.000 2.740 411 S HA 0.597 5.067 4.470 -0.000 0.000 0.300 411 S C -0.356 174.276 174.600 0.053 0.000 1.147 411 S CA -1.310 56.891 58.200 0.002 0.000 0.871 411 S CB 1.296 64.489 63.200 -0.012 0.000 1.173 411 S HN 0.745 nan 8.310 nan 0.000 0.510 412 R N -0.073 120.471 120.500 0.074 0.000 2.831 412 R HA 0.261 4.601 4.340 -0.000 0.000 0.337 412 R C -0.733 175.673 176.300 0.177 0.000 1.200 412 R CA -0.356 55.810 56.100 0.110 0.000 1.088 412 R CB -0.247 30.097 30.300 0.074 0.000 1.397 412 R HN 0.663 nan 8.270 nan 0.000 0.581 413 Y N 2.171 122.476 120.300 0.008 0.000 2.810 413 Y HA -0.263 4.288 4.550 0.001 0.000 0.332 413 Y C 0.443 176.418 175.900 0.126 0.000 1.243 413 Y CA 0.327 58.417 58.100 -0.017 0.000 1.537 413 Y CB 0.351 38.674 38.460 -0.228 0.000 1.265 413 Y HN 0.455 nan 8.280 nan 0.000 0.572 414 N N 5.340 123.931 118.700 -0.181 0.000 2.714 414 N HA -0.262 4.478 4.740 -0.000 0.000 0.250 414 N C -0.268 175.235 175.510 -0.011 0.000 1.117 414 N CA 1.306 54.269 53.050 -0.146 0.000 0.719 414 N CB -0.706 37.678 38.487 -0.172 0.000 1.081 414 N HN 0.821 nan 8.380 nan 0.000 0.557 415 M N -2.841 116.784 119.600 0.042 0.000 2.461 415 M HA -0.196 4.283 4.480 -0.000 0.000 0.203 415 M C -0.677 175.656 176.300 0.056 0.000 0.428 415 M CA 0.594 55.922 55.300 0.046 0.000 0.509 415 M CB -2.429 30.183 32.600 0.021 0.000 1.851 415 M HN 0.014 nan 8.290 nan 0.000 0.834 416 V N 0.402 120.377 119.914 0.102 0.000 2.348 416 V HA 0.589 4.709 4.120 -0.000 0.000 0.270 416 V C 1.480 177.642 176.094 0.114 0.000 1.037 416 V CA -0.215 62.150 62.300 0.109 0.000 0.872 416 V CB 1.226 33.154 31.823 0.176 0.000 1.002 416 V HN 0.616 nan 8.190 nan 0.000 0.464 417 G N 4.651 113.504 108.800 0.087 0.000 2.569 417 G HA2 0.301 4.261 3.960 -0.000 0.000 0.249 417 G HA3 0.301 4.261 3.960 -0.000 0.000 0.249 417 G C 0.062 175.024 174.900 0.103 0.000 1.216 417 G CA -0.600 44.550 45.100 0.084 0.000 0.845 417 G HN 0.695 nan 8.290 nan 0.000 0.568 418 R N 1.353 121.906 120.500 0.088 0.000 2.585 418 R HA 0.114 4.454 4.340 -0.000 0.000 0.275 418 R C -2.112 174.308 176.300 0.201 0.000 1.018 418 R CA -0.686 55.476 56.100 0.105 0.000 1.072 418 R CB 0.266 30.578 30.300 0.020 0.000 0.953 418 R HN 0.320 nan 8.270 nan 0.000 0.419 419 P HA 0.005 nan 4.420 nan 0.000 0.272 419 P C -0.853 176.654 177.300 0.345 0.000 1.230 419 P CA -0.069 63.217 63.100 0.311 0.000 0.788 419 P CB 0.699 32.625 31.700 0.376 0.000 0.949 420 A N 1.722 124.686 122.820 0.239 0.000 2.425 420 A HA 0.373 4.693 4.320 -0.000 0.000 0.242 420 A C -0.348 177.336 177.584 0.168 0.000 1.077 420 A CA 0.075 52.220 52.037 0.180 0.000 0.781 420 A CB -0.136 18.948 19.000 0.141 0.000 1.020 420 A HN 0.365 nan 8.150 nan 0.000 0.494 421 V N 2.323 122.263 119.914 0.043 0.000 2.531 421 V HA 0.472 4.592 4.120 -0.000 0.000 0.301 421 V C -0.386 175.646 176.094 -0.104 0.000 1.034 421 V CA -0.472 61.808 62.300 -0.033 0.000 0.865 421 V CB 1.423 33.116 31.823 -0.217 0.000 0.995 421 V HN 0.675 nan 8.190 nan 0.000 0.424 422 V N 3.338 123.173 119.914 -0.131 0.000 2.680 422 V HA 0.875 4.995 4.120 -0.000 0.000 0.309 422 V C 0.211 176.259 176.094 -0.076 0.000 1.052 422 V CA -0.513 61.651 62.300 -0.227 0.000 0.908 422 V CB 2.128 33.651 31.823 -0.500 0.000 1.001 422 V HN 1.007 nan 8.190 nan 0.000 0.431 423 A N 3.714 126.524 122.820 -0.018 0.000 2.330 423 A HA 0.875 5.195 4.320 -0.000 0.000 0.327 423 A C -0.618 177.016 177.584 0.083 0.000 1.155 423 A CA -0.529 51.574 52.037 0.109 0.000 0.803 423 A CB 1.586 20.744 19.000 0.263 0.000 1.208 423 A HN 1.435 nan 8.150 nan 0.000 0.477 424 V N 0.862 120.834 119.914 0.096 0.000 2.680 424 V HA 0.814 4.934 4.120 -0.000 0.000 0.309 424 V C -0.714 175.455 176.094 0.124 0.000 1.052 424 V CA -0.464 61.891 62.300 0.092 0.000 0.908 424 V CB 1.686 33.549 31.823 0.066 0.000 1.001 424 V HN 1.070 nan 8.190 nan 0.000 0.431 425 H N 4.121 123.188 119.070 -0.005 0.000 3.083 425 H HA 0.515 5.070 4.556 -0.000 0.000 0.339 425 H C 0.226 175.545 175.328 -0.016 0.000 1.020 425 H CA 0.284 56.312 56.048 -0.033 0.000 1.360 425 H CB 1.764 31.486 29.762 -0.067 0.000 1.811 425 H HN 1.975 nan 8.280 nan 0.000 0.493 426 A N 3.020 125.613 122.820 -0.379 0.000 2.704 426 A HA -0.173 4.147 4.320 -0.000 0.000 0.299 426 A C 1.645 179.183 177.584 -0.077 0.000 1.507 426 A CA 1.882 53.758 52.037 -0.268 0.000 0.776 426 A CB -2.122 16.666 19.000 -0.353 0.000 1.027 426 A HN 2.122 nan 8.150 nan 0.000 0.475 427 G N -2.119 106.661 108.800 -0.033 0.000 2.176 427 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 427 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 427 G C -0.229 174.697 174.900 0.043 0.000 0.979 427 G CA 0.370 45.474 45.100 0.008 0.000 0.641 427 G HN 1.222 nan 8.290 nan 0.000 0.530 428 N N 0.587 119.327 118.700 0.066 0.000 2.314 428 N HA 0.684 5.424 4.740 -0.000 0.000 0.294 428 N C -0.163 175.413 175.510 0.109 0.000 1.029 428 N CA 0.434 53.540 53.050 0.093 0.000 0.845 428 N CB 1.960 40.508 38.487 0.102 0.000 1.321 428 N HN 0.640 nan 8.380 nan 0.000 0.481 429 A N 2.225 125.120 122.820 0.125 0.000 2.340 429 A HA 0.824 5.144 4.320 -0.000 0.000 0.331 429 A C -0.307 177.359 177.584 0.136 0.000 1.140 429 A CA -0.725 51.385 52.037 0.122 0.000 0.801 429 A CB 1.058 20.157 19.000 0.165 0.000 1.234 429 A HN 0.784 nan 8.150 nan 0.000 0.469 430 R N 1.318 121.854 120.500 0.060 0.000 2.651 430 R HA 0.651 4.990 4.340 -0.000 0.000 0.278 430 R C -1.521 174.755 176.300 -0.040 0.000 1.010 430 R CA -0.844 55.298 56.100 0.069 0.000 0.896 430 R CB 1.129 31.474 30.300 0.075 0.000 1.211 430 R HN 0.511 nan 8.270 nan 0.000 0.456 431 L N 2.967 124.191 121.223 0.002 0.000 2.410 431 L HA 0.152 4.491 4.340 -0.000 0.000 0.273 431 L C 0.034 176.889 176.870 -0.026 0.000 1.152 431 L CA 0.373 55.179 54.840 -0.056 0.000 0.855 431 L CB 1.590 43.710 42.059 0.102 0.000 1.129 431 L HN 0.762 nan 8.230 nan 0.000 0.463 432 V N 4.646 124.525 119.914 -0.059 0.000 2.721 432 V HA 0.218 4.337 4.120 -0.000 0.000 0.236 432 V C 0.353 176.410 176.094 -0.063 0.000 1.116 432 V CA 0.222 62.483 62.300 -0.065 0.000 1.148 432 V CB 0.016 31.782 31.823 -0.096 0.000 0.886 432 V HN 0.571 nan 8.190 nan 0.000 0.490 433 L N 2.072 123.258 121.223 -0.060 0.000 2.356 433 L HA 0.550 4.890 4.340 -0.000 0.000 0.277 433 L C 0.014 176.907 176.870 0.038 0.000 0.996 433 L CA -0.616 54.210 54.840 -0.024 0.000 0.822 433 L CB 1.658 43.671 42.059 -0.076 0.000 1.256 433 L HN 0.343 nan 8.230 nan 0.000 0.413 434 R N 2.012 122.551 120.500 0.066 0.000 2.582 434 R HA 0.410 4.750 4.340 -0.000 0.000 0.271 434 R C -0.039 176.336 176.300 0.126 0.000 1.078 434 R CA -0.799 55.358 56.100 0.095 0.000 1.127 434 R CB 0.994 31.344 30.300 0.083 0.000 1.038 434 R HN 0.580 nan 8.270 nan 0.000 0.500 435 R N 1.725 122.305 120.500 0.134 0.000 2.570 435 R HA -0.031 4.309 4.340 -0.000 0.000 0.277 435 R C -0.571 175.796 176.300 0.112 0.000 1.039 435 R CA 0.108 56.292 56.100 0.140 0.000 1.065 435 R CB 0.563 30.942 30.300 0.131 0.000 0.964 435 R HN 0.687 nan 8.270 nan 0.000 0.428 436 E N 1.706 121.972 120.200 0.110 0.000 2.398 436 E HA 0.004 4.354 4.350 -0.000 0.000 0.263 436 E C -0.137 176.505 176.600 0.069 0.000 1.046 436 E CA 0.518 56.968 56.400 0.082 0.000 0.908 436 E CB 0.921 30.666 29.700 0.075 0.000 0.963 436 E HN 0.729 nan 8.360 nan 0.000 0.431 437 T N -2.127 112.459 114.554 0.055 0.000 2.927 437 T HA 0.223 4.573 4.350 -0.000 0.000 0.286 437 T C 1.152 175.875 174.700 0.037 0.000 1.040 437 T CA -0.913 61.214 62.100 0.045 0.000 1.010 437 T CB 1.120 70.012 68.868 0.040 0.000 1.177 437 T HN 0.140 nan 8.240 nan 0.000 0.546 438 V N 1.111 121.044 119.914 0.031 0.000 2.380 438 V HA -0.176 3.944 4.120 -0.000 0.000 0.251 438 V C 2.394 178.502 176.094 0.023 0.000 1.063 438 V CA 2.272 64.587 62.300 0.025 0.000 1.055 438 V CB -0.977 30.858 31.823 0.020 0.000 0.657 438 V HN 0.872 nan 8.190 nan 0.000 0.455 439 D N -0.029 120.384 120.400 0.023 0.000 2.123 439 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 439 D C 1.971 178.284 176.300 0.022 0.000 0.992 439 D CA 1.388 55.401 54.000 0.021 0.000 0.833 439 D CB -0.377 40.435 40.800 0.020 0.000 0.954 439 D HN 0.457 nan 8.370 nan 0.000 0.455 440 D N 0.038 120.454 120.400 0.026 0.000 2.092 440 D HA -0.138 4.502 4.640 -0.000 0.000 0.193 440 D C 2.177 178.492 176.300 0.025 0.000 0.994 440 D CA 0.510 54.527 54.000 0.027 0.000 0.828 440 D CB -0.281 40.540 40.800 0.035 0.000 0.963 440 D HN 0.109 nan 8.370 nan 0.000 0.450 441 L N 0.414 121.654 121.223 0.028 0.000 2.089 441 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 441 L C 2.325 179.208 176.870 0.022 0.000 1.079 441 L CA 1.262 56.118 54.840 0.027 0.000 0.758 441 L CB -0.831 41.245 42.059 0.028 0.000 0.891 441 L HN 0.091 nan 8.230 nan 0.000 0.433 442 L N -1.319 119.915 121.223 0.019 0.000 2.607 442 L HA 0.054 4.394 4.340 -0.000 0.000 0.228 442 L C 2.151 179.029 176.870 0.013 0.000 1.123 442 L CA 0.417 55.266 54.840 0.015 0.000 0.890 442 L CB -0.321 41.746 42.059 0.013 0.000 1.103 442 L HN 0.269 nan 8.230 nan 0.000 0.468 443 S N -0.274 115.434 115.700 0.014 0.000 2.481 443 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 443 S C 1.607 176.212 174.600 0.008 0.000 0.996 443 S CA 0.582 58.788 58.200 0.011 0.000 0.942 443 S CB -0.260 62.947 63.200 0.011 0.000 0.768 443 S HN 0.459 nan 8.310 nan 0.000 0.520 444 L N 0.774 122.002 121.223 0.009 0.000 2.592 444 L HA 0.296 4.635 4.340 -0.000 0.000 0.227 444 L C 0.660 177.534 176.870 0.006 0.000 1.127 444 L CA 0.110 54.954 54.840 0.007 0.000 0.884 444 L CB -0.261 41.802 42.059 0.007 0.000 1.065 444 L HN 0.270 nan 8.230 nan 0.000 0.457 445 E N 0.310 120.514 120.200 0.007 0.000 2.338 445 E HA 0.228 4.578 4.350 -0.000 0.000 0.272 445 E C -0.182 176.421 176.600 0.005 0.000 1.029 445 E CA -0.278 56.126 56.400 0.007 0.000 0.872 445 E CB 2.212 31.916 29.700 0.008 0.000 1.015 445 E HN -0.057 nan 8.360 nan 0.000 0.417 446 V N 2.841 122.757 119.914 0.005 0.000 4.813 446 V HA 0.574 4.694 4.120 -0.000 0.000 0.275 446 V C 0.202 176.298 176.094 0.004 0.000 1.377 446 V CA -0.421 61.881 62.300 0.004 0.000 0.774 446 V CB 1.400 33.225 31.823 0.003 0.000 1.308 446 V HN 0.841 nan 8.190 nan 0.000 0.426 447 R N 0.000 120.502 120.500 0.003 0.000 2.786 447 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 447 R CA 0.000 56.102 56.100 0.003 0.000 0.921 447 R CB 0.000 30.302 30.300 0.003 0.000 0.687 447 R HN 0.000 nan 8.270 nan 0.000 0.535