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 1rk2_1_A DATA FIRST_RESID 4 DATA SEQUENCE AGSLVVLGSI NADHILNLQS FPTPGETVTG NHYQVAFGGK GANQAVAAGR DATA SEQUENCE SGANIAFIAC TGDDSIGESV RQQLATDNID ITPVSVIKGE STGVALIFVN DATA SEQUENCE GEGENVIGIH AGANAALSPA LVEAQRERIA NASALLMQLE SPLESVMAAA DATA SEQUENCE KIAHQNKTIV ALNPAPAREL PDELLALVDI ITPNETEAEK LTGIRVENDE DATA SEQUENCE DAAKAAQVLH EKGIRTVLIT LGSRGVWASV NGEGQRVPGF RVQAVDTIAA DATA SEQUENCE GDTFNGALIT ALLEEKPLPE AIRFAHAAAA IAVTRKGAQP SVPWREEIDA DATA SEQUENCE FLDRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.568 177.584 -0.026 0.000 1.274 4 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 4 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 5 G N 0.292 109.076 108.800 -0.028 0.000 2.651 5 G HA2 0.553 4.513 3.960 -0.000 0.000 0.260 5 G HA3 0.553 4.513 3.960 -0.000 0.000 0.260 5 G C 0.410 175.300 174.900 -0.018 0.000 1.216 5 G CA 0.503 45.591 45.100 -0.021 0.000 0.913 5 G HN 1.963 nan 8.290 nan 0.000 0.535 6 S N -1.087 114.606 115.700 -0.012 0.000 2.554 6 S HA 0.576 5.046 4.470 -0.000 0.000 0.278 6 S C -0.575 174.021 174.600 -0.006 0.000 1.242 6 S CA -0.741 57.455 58.200 -0.007 0.000 1.051 6 S CB 1.709 64.908 63.200 -0.002 0.000 0.986 6 S HN 0.708 nan 8.310 nan 0.000 0.502 7 L N 3.047 124.267 121.223 -0.005 0.000 2.329 7 L HA 0.770 5.109 4.340 -0.000 0.000 0.279 7 L C -1.239 175.638 176.870 0.012 0.000 1.014 7 L CA -0.590 54.248 54.840 -0.003 0.000 0.814 7 L CB 1.813 43.862 42.059 -0.017 0.000 1.257 7 L HN 0.642 nan 8.230 nan 0.000 0.424 8 V N 5.610 125.538 119.914 0.023 0.000 2.444 8 V HA 0.522 4.642 4.120 -0.000 0.000 0.294 8 V C -0.554 175.580 176.094 0.067 0.000 1.022 8 V CA -0.647 61.682 62.300 0.049 0.000 0.850 8 V CB 1.878 33.726 31.823 0.042 0.000 0.992 8 V HN 0.557 nan 8.190 nan 0.000 0.426 9 V N 6.405 126.391 119.914 0.120 0.000 2.435 9 V HA 0.526 4.646 4.120 -0.000 0.000 0.290 9 V C -0.313 175.970 176.094 0.315 0.000 1.030 9 V CA -0.548 61.845 62.300 0.155 0.000 0.881 9 V CB 1.793 33.641 31.823 0.041 0.000 0.983 9 V HN 0.716 nan 8.190 nan 0.000 0.445 10 L N 4.983 126.333 121.223 0.212 0.000 2.343 10 L HA 0.958 5.297 4.340 -0.000 0.000 0.278 10 L C 0.071 177.044 176.870 0.171 0.000 0.996 10 L CA 0.334 55.263 54.840 0.148 0.000 0.831 10 L CB 1.233 43.324 42.059 0.054 0.000 1.232 10 L HN 0.833 nan 8.230 nan 0.000 0.413 11 G N 1.784 110.701 108.800 0.195 0.000 2.427 11 G HA2 0.304 4.264 3.960 -0.000 0.000 0.306 11 G HA3 0.304 4.264 3.960 -0.000 0.000 0.306 11 G C -1.362 173.616 174.900 0.131 0.000 1.280 11 G CA -0.067 45.140 45.100 0.177 0.000 0.837 11 G HN 0.701 nan 8.290 nan 0.000 0.482 12 S N -1.132 114.649 115.700 0.135 0.000 2.632 12 S HA 0.753 5.223 4.470 -0.000 0.000 0.267 12 S C -0.180 174.521 174.600 0.168 0.000 1.276 12 S CA -0.388 57.867 58.200 0.091 0.000 0.998 12 S CB 1.173 64.405 63.200 0.052 0.000 0.953 12 S HN 0.657 nan 8.310 nan 0.000 0.547 13 I N 1.676 122.299 120.570 0.087 0.000 2.478 13 I HA 0.412 4.582 4.170 -0.000 0.000 0.287 13 I C -0.514 175.638 176.117 0.058 0.000 1.042 13 I CA -0.457 60.899 61.300 0.093 0.000 1.067 13 I CB 1.781 39.813 38.000 0.053 0.000 1.233 13 I HN 0.749 nan 8.210 nan 0.000 0.431 14 N N 3.473 122.222 118.700 0.082 0.000 2.265 14 N HA 0.746 5.486 4.740 -0.000 0.000 0.300 14 N C -1.000 174.603 175.510 0.156 0.000 1.148 14 N CA -0.758 52.352 53.050 0.100 0.000 0.772 14 N CB 2.471 41.011 38.487 0.087 0.000 1.434 14 N HN 0.599 nan 8.380 nan 0.000 0.481 15 A N 1.293 124.221 122.820 0.181 0.000 2.256 15 A HA 0.343 4.663 4.320 -0.000 0.000 0.317 15 A C -1.147 176.520 177.584 0.138 0.000 1.318 15 A CA -0.601 51.556 52.037 0.201 0.000 0.894 15 A CB 0.239 19.377 19.000 0.229 0.000 1.165 15 A HN 0.553 nan 8.150 nan 0.000 0.525 16 D N 1.788 122.204 120.400 0.027 0.000 2.264 16 D HA 0.296 4.936 4.640 -0.000 0.000 0.250 16 D C -0.328 175.849 176.300 -0.205 0.000 1.113 16 D CA 0.551 54.546 54.000 -0.009 0.000 0.871 16 D CB 0.579 41.368 40.800 -0.018 0.000 1.167 16 D HN 0.529 nan 8.370 nan 0.000 0.447 17 H N 2.539 121.594 119.070 -0.025 0.000 2.685 17 H HA 0.377 4.933 4.556 -0.000 0.000 0.307 17 H C -0.224 175.109 175.328 0.009 0.000 1.017 17 H CA -0.394 55.641 56.048 -0.022 0.000 1.237 17 H CB 0.961 30.797 29.762 0.123 0.000 1.409 17 H HN 0.220 nan 8.280 nan 0.000 0.488 18 I N 4.425 124.979 120.570 -0.027 0.000 2.362 18 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 18 I C -0.564 175.694 176.117 0.233 0.000 0.994 18 I CA -0.803 60.544 61.300 0.078 0.000 1.158 18 I CB 1.949 39.950 38.000 0.002 0.000 1.315 18 I HN 0.192 nan 8.210 nan 0.000 0.451 19 L N 6.822 128.262 121.223 0.361 0.000 2.343 19 L HA 0.472 4.812 4.340 -0.000 0.000 0.278 19 L C -0.806 176.272 176.870 0.347 0.000 0.996 19 L CA -0.176 54.926 54.840 0.435 0.000 0.831 19 L CB 1.069 43.448 42.059 0.534 0.000 1.232 19 L HN 0.457 nan 8.230 nan 0.000 0.413 20 N N 5.131 123.989 118.700 0.263 0.000 2.444 20 N HA 0.643 5.383 4.740 -0.000 0.000 0.271 20 N C -1.003 174.599 175.510 0.155 0.000 1.069 20 N CA -0.318 52.850 53.050 0.197 0.000 0.965 20 N CB 0.989 39.583 38.487 0.177 0.000 1.092 20 N HN 0.461 nan 8.380 nan 0.000 0.476 21 L N -0.928 120.350 121.223 0.091 0.000 2.322 21 L HA 0.515 4.855 4.340 -0.000 0.000 0.252 21 L C 0.746 177.591 176.870 -0.043 0.000 1.055 21 L CA -0.814 54.035 54.840 0.016 0.000 0.849 21 L CB 0.816 42.854 42.059 -0.035 0.000 1.446 21 L HN 0.351 nan 8.230 nan 0.000 0.416 22 Q N -0.186 119.573 119.800 -0.068 0.000 1.984 22 Q HA 0.219 4.559 4.340 -0.000 0.000 0.196 22 Q C -0.192 175.702 176.000 -0.176 0.000 0.975 22 Q CA 1.368 57.115 55.803 -0.094 0.000 0.827 22 Q CB 0.095 28.792 28.738 -0.068 0.000 0.894 22 Q HN 0.774 nan 8.270 nan 0.000 0.438 23 S N -0.351 115.242 115.700 -0.178 0.000 2.570 23 S HA 0.445 4.915 4.470 -0.000 0.000 0.286 23 S C -0.936 173.555 174.600 -0.182 0.000 1.099 23 S CA -0.779 57.276 58.200 -0.243 0.000 0.913 23 S CB 1.006 64.125 63.200 -0.135 0.000 1.085 23 S HN 0.071 nan 8.310 nan 0.000 0.480 24 F N 3.624 123.530 119.950 -0.073 0.000 2.538 24 F HA 0.254 4.781 4.527 -0.000 0.000 0.371 24 F C -1.610 174.120 175.800 -0.116 0.000 1.087 24 F CA -2.228 55.707 58.000 -0.108 0.000 1.250 24 F CB -0.292 38.695 39.000 -0.022 0.000 1.110 24 F HN 0.220 nan 8.300 nan 0.000 0.570 25 P HA 0.049 nan 4.420 nan 0.000 0.269 25 P C -0.019 177.295 177.300 0.023 0.000 1.263 25 P CA -0.219 62.864 63.100 -0.027 0.000 0.813 25 P CB 0.142 31.771 31.700 -0.118 0.000 0.868 26 T N 2.698 117.270 114.554 0.031 0.000 2.724 26 T HA 0.136 4.486 4.350 -0.000 0.000 0.324 26 T C -2.147 172.568 174.700 0.024 0.000 1.071 26 T CA -1.239 60.882 62.100 0.034 0.000 1.061 26 T CB -1.102 67.782 68.868 0.027 0.000 0.990 26 T HN 0.199 nan 8.240 nan 0.000 0.543 27 P HA 0.189 nan 4.420 nan 0.000 0.269 27 P C 1.267 178.576 177.300 0.015 0.000 1.205 27 P CA 1.164 64.277 63.100 0.021 0.000 0.780 27 P CB -0.280 31.431 31.700 0.018 0.000 0.858 28 G N -0.133 108.676 108.800 0.015 0.000 2.230 28 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.270 28 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.270 28 G C 0.296 175.200 174.900 0.007 0.000 0.987 28 G CA 0.809 45.915 45.100 0.010 0.000 0.664 28 G HN 0.689 nan 8.290 nan 0.000 0.539 29 E N -0.495 119.709 120.200 0.006 0.000 2.239 29 E HA 0.693 5.043 4.350 -0.000 0.000 0.261 29 E C -0.503 176.091 176.600 -0.009 0.000 1.016 29 E CA -0.366 56.032 56.400 -0.003 0.000 0.882 29 E CB 1.165 30.861 29.700 -0.006 0.000 1.190 29 E HN 0.081 nan 8.360 nan 0.000 0.415 30 T N 0.998 115.540 114.554 -0.020 0.000 2.916 30 T HA 0.472 4.821 4.350 -0.000 0.000 0.298 30 T C -1.256 173.415 174.700 -0.048 0.000 1.031 30 T CA -0.590 61.493 62.100 -0.028 0.000 0.993 30 T CB 1.497 70.355 68.868 -0.016 0.000 1.045 30 T HN 0.261 nan 8.240 nan 0.000 0.454 31 V N 2.080 121.949 119.914 -0.075 0.000 2.876 31 V HA 0.639 4.758 4.120 -0.000 0.000 0.312 31 V C -0.139 175.913 176.094 -0.071 0.000 1.085 31 V CA -0.833 61.415 62.300 -0.085 0.000 0.945 31 V CB 2.485 34.227 31.823 -0.135 0.000 1.017 31 V HN 0.959 nan 8.190 nan 0.000 0.428 32 T N 2.709 117.232 114.554 -0.051 0.000 2.771 32 T HA 0.606 4.955 4.350 -0.000 0.000 0.281 32 T C 0.464 175.150 174.700 -0.023 0.000 0.982 32 T CA -0.023 62.057 62.100 -0.033 0.000 0.978 32 T CB 1.520 70.370 68.868 -0.029 0.000 0.930 32 T HN 0.995 nan 8.240 nan 0.000 0.447 33 G N 1.702 110.503 108.800 0.003 0.000 2.525 33 G HA2 0.344 4.303 3.960 -0.000 0.000 0.287 33 G HA3 0.344 4.303 3.960 -0.000 0.000 0.287 33 G C 0.577 175.489 174.900 0.020 0.000 1.350 33 G CA -0.671 44.452 45.100 0.037 0.000 1.039 33 G HN 0.775 nan 8.290 nan 0.000 0.513 34 N N -3.192 115.536 118.700 0.047 0.000 2.239 34 N HA 0.171 4.911 4.740 -0.000 0.000 0.208 34 N C -0.280 175.046 175.510 -0.308 0.000 1.200 34 N CA -0.059 52.952 53.050 -0.066 0.000 0.895 34 N CB 0.632 39.141 38.487 0.037 0.000 1.085 34 N HN 0.472 nan 8.380 nan 0.000 0.500 35 H N -1.238 117.887 119.070 0.092 0.000 2.954 35 H HA 0.427 4.983 4.556 -0.000 0.000 0.361 35 H C -2.134 173.307 175.328 0.188 0.000 1.122 35 H CA -0.772 55.341 56.048 0.109 0.000 1.217 35 H CB 1.448 31.251 29.762 0.068 0.000 1.776 35 H HN 0.123 nan 8.280 nan 0.000 0.533 36 Y N 2.066 122.446 120.300 0.134 0.000 2.442 36 Y HA 0.483 5.032 4.550 -0.000 0.000 0.344 36 Y C -1.291 174.652 175.900 0.071 0.000 0.976 36 Y CA -0.656 57.505 58.100 0.103 0.000 1.040 36 Y CB 1.993 40.501 38.460 0.081 0.000 1.228 36 Y HN 0.724 nan 8.280 nan 0.000 0.451 37 Q N 4.853 124.334 119.800 -0.532 0.000 2.315 37 Q HA 0.669 5.008 4.340 -0.000 0.000 0.273 37 Q C -2.314 173.277 176.000 -0.680 0.000 1.053 37 Q CA -0.862 54.647 55.803 -0.490 0.000 0.817 37 Q CB 2.286 30.896 28.738 -0.214 0.000 1.326 37 Q HN 0.616 nan 8.270 nan 0.000 0.423 38 V N 2.684 122.242 119.914 -0.594 0.000 2.334 38 V HA 0.856 4.976 4.120 -0.000 0.000 0.281 38 V C -0.482 175.352 176.094 -0.434 0.000 1.016 38 V CA -0.130 61.822 62.300 -0.579 0.000 0.832 38 V CB 0.745 32.251 31.823 -0.528 0.000 0.999 38 V HN 0.812 nan 8.190 nan 0.000 0.439 39 A N 4.453 127.050 122.820 -0.371 0.000 2.527 39 A HA 0.913 5.232 4.320 -0.000 0.000 0.293 39 A C -0.994 176.468 177.584 -0.205 0.000 1.117 39 A CA -0.586 51.241 52.037 -0.349 0.000 0.723 39 A CB 1.141 20.007 19.000 -0.223 0.000 1.313 39 A HN 0.463 nan 8.150 nan 0.000 0.411 40 F N 0.845 120.758 119.950 -0.063 0.000 2.529 40 F HA 0.501 5.028 4.527 -0.000 0.000 0.365 40 F C 1.210 176.991 175.800 -0.032 0.000 1.102 40 F CA 0.798 58.777 58.000 -0.035 0.000 1.271 40 F CB 0.794 39.783 39.000 -0.019 0.000 1.120 40 F HN 0.800 nan 8.300 nan 0.000 0.579 41 G N -0.142 108.775 108.800 0.195 0.000 3.107 41 G HA2 0.605 4.565 3.960 -0.000 0.000 0.233 41 G HA3 0.605 4.565 3.960 -0.000 0.000 0.233 41 G C -0.388 174.562 174.900 0.082 0.000 1.168 41 G CA -0.369 44.790 45.100 0.098 0.000 0.801 41 G HN 1.150 nan 8.290 nan 0.000 0.605 42 G N -0.549 108.288 108.800 0.062 0.000 3.402 42 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.686 42 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.686 42 G C 0.523 175.452 174.900 0.047 0.000 0.983 42 G CA 0.442 45.579 45.100 0.062 0.000 0.821 42 G HN 0.727 nan 8.290 nan 0.000 0.500 43 K N 1.365 121.790 120.400 0.041 0.000 2.089 43 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 43 K C 2.836 179.448 176.600 0.021 0.000 1.048 43 K CA 1.972 58.275 56.287 0.027 0.000 0.926 43 K CB -0.142 32.377 32.500 0.031 0.000 0.714 43 K HN 0.761 nan 8.250 nan 0.000 0.448 44 G N 1.236 110.085 108.800 0.082 0.000 2.433 44 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 44 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 44 G C 1.667 176.488 174.900 -0.133 0.000 1.186 44 G CA 1.038 46.221 45.100 0.138 0.000 0.779 44 G HN 0.380 nan 8.290 nan 0.000 0.543 45 A N 1.197 123.999 122.820 -0.030 0.000 1.902 45 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 45 A C 2.302 179.730 177.584 -0.259 0.000 1.181 45 A CA 1.919 53.795 52.037 -0.268 0.000 0.623 45 A CB -0.466 18.545 19.000 0.018 0.000 0.818 45 A HN 0.353 nan 8.150 nan 0.000 0.443 46 N N 0.084 118.709 118.700 -0.125 0.000 2.069 46 N HA -0.188 4.551 4.740 -0.000 0.000 0.191 46 N C 1.867 177.284 175.510 -0.155 0.000 1.031 46 N CA 1.758 54.743 53.050 -0.108 0.000 0.852 46 N CB -0.556 37.902 38.487 -0.049 0.000 1.018 46 N HN 0.675 nan 8.380 nan 0.000 0.423 47 Q N 0.162 119.870 119.800 -0.154 0.000 2.167 47 Q HA 0.071 4.411 4.340 -0.000 0.000 0.202 47 Q C 2.018 177.879 176.000 -0.233 0.000 0.970 47 Q CA 1.258 56.969 55.803 -0.152 0.000 0.855 47 Q CB -0.080 28.601 28.738 -0.095 0.000 0.911 47 Q HN 0.408 nan 8.270 nan 0.000 0.438 48 A N 0.106 122.688 122.820 -0.397 0.000 1.930 48 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 48 A C 2.250 179.630 177.584 -0.340 0.000 1.175 48 A CA 1.073 52.820 52.037 -0.482 0.000 0.627 48 A CB -0.433 17.947 19.000 -1.033 0.000 0.815 48 A HN 0.203 nan 8.150 nan 0.000 0.443 49 V N -0.238 119.486 119.914 -0.316 0.000 2.379 49 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 49 V C 3.038 178.960 176.094 -0.287 0.000 1.044 49 V CA 1.718 63.851 62.300 -0.278 0.000 1.036 49 V CB -1.115 30.568 31.823 -0.233 0.000 0.664 49 V HN 0.594 nan 8.190 nan 0.000 0.453 50 A N 0.126 122.806 122.820 -0.233 0.000 1.908 50 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 50 A C 2.424 179.906 177.584 -0.171 0.000 1.181 50 A CA 2.209 54.124 52.037 -0.205 0.000 0.627 50 A CB -0.783 18.130 19.000 -0.146 0.000 0.818 50 A HN 0.555 nan 8.150 nan 0.000 0.445 51 A N -0.471 122.258 122.820 -0.151 0.000 1.858 51 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 51 A C 2.481 180.003 177.584 -0.104 0.000 1.190 51 A CA 2.023 53.998 52.037 -0.104 0.000 0.617 51 A CB -1.554 17.383 19.000 -0.105 0.000 0.827 51 A HN 0.760 nan 8.150 nan 0.000 0.443 52 G N -0.513 108.199 108.800 -0.146 0.000 2.491 52 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 52 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 52 G C 1.760 176.569 174.900 -0.153 0.000 1.180 52 G CA 1.036 46.060 45.100 -0.127 0.000 0.774 52 G HN 0.565 nan 8.290 nan 0.000 0.562 53 R N 0.640 120.931 120.500 -0.348 0.000 2.096 53 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 53 R C 2.942 179.164 176.300 -0.130 0.000 1.127 53 R CA 1.503 57.287 56.100 -0.527 0.000 0.968 53 R CB -0.307 29.331 30.300 -1.103 0.000 0.861 53 R HN 0.536 nan 8.270 nan 0.000 0.440 54 S N -1.014 114.643 115.700 -0.072 0.000 2.561 54 S HA 0.083 4.552 4.470 -0.000 0.000 0.225 54 S C 1.297 175.989 174.600 0.152 0.000 0.977 54 S CA 0.544 58.806 58.200 0.104 0.000 0.926 54 S CB 0.667 63.975 63.200 0.181 0.000 0.769 54 S HN 0.522 nan 8.310 nan 0.000 0.533 55 G N 0.083 108.930 108.800 0.077 0.000 2.159 55 G HA2 0.085 4.045 3.960 -0.000 0.000 0.170 55 G HA3 0.085 4.045 3.960 -0.000 0.000 0.170 55 G C 0.137 175.048 174.900 0.019 0.000 1.007 55 G CA -0.252 44.887 45.100 0.065 0.000 0.672 55 G HN 1.057 nan 8.290 nan 0.000 0.507 56 A N -0.010 122.810 122.820 -0.001 0.000 2.304 56 A HA 0.656 4.976 4.320 -0.000 0.000 0.271 56 A C 0.351 177.928 177.584 -0.012 0.000 1.091 56 A CA -0.317 51.709 52.037 -0.019 0.000 0.812 56 A CB 0.336 19.316 19.000 -0.033 0.000 1.056 56 A HN 0.293 nan 8.150 nan 0.000 0.489 57 N N 1.658 120.350 118.700 -0.013 0.000 2.558 57 N HA 0.279 5.019 4.740 -0.000 0.000 0.233 57 N C -1.082 174.424 175.510 -0.006 0.000 1.038 57 N CA 0.004 53.051 53.050 -0.004 0.000 0.934 57 N CB 1.236 39.720 38.487 -0.004 0.000 1.175 57 N HN 0.601 nan 8.380 nan 0.000 0.512 58 I N 0.954 121.521 120.570 -0.005 0.000 2.608 58 I HA 0.644 4.814 4.170 -0.000 0.000 0.295 58 I C -1.110 175.020 176.117 0.021 0.000 1.049 58 I CA -0.829 60.469 61.300 -0.003 0.000 1.063 58 I CB 1.934 39.914 38.000 -0.033 0.000 1.248 58 I HN 0.277 nan 8.210 nan 0.000 0.424 59 A N 6.562 129.410 122.820 0.047 0.000 2.355 59 A HA 0.741 5.061 4.320 -0.000 0.000 0.324 59 A C -1.723 175.963 177.584 0.170 0.000 1.117 59 A CA -0.470 51.617 52.037 0.083 0.000 0.785 59 A CB 1.224 20.258 19.000 0.056 0.000 1.254 59 A HN 0.564 nan 8.150 nan 0.000 0.453 60 F N 2.578 122.513 119.950 -0.024 0.000 2.449 60 F HA 0.614 5.141 4.527 -0.001 0.000 0.342 60 F C -0.746 175.038 175.800 -0.027 0.000 1.127 60 F CA -1.655 56.328 58.000 -0.028 0.000 0.975 60 F CB 1.054 40.032 39.000 -0.036 0.000 1.146 60 F HN 0.418 nan 8.300 nan 0.000 0.444 61 I N 6.467 126.978 120.570 -0.099 0.000 2.304 61 I HA 0.654 4.824 4.170 -0.000 0.000 0.291 61 I C -0.070 175.695 176.117 -0.586 0.000 1.018 61 I CA -0.177 60.968 61.300 -0.258 0.000 1.260 61 I CB 0.538 38.478 38.000 -0.099 0.000 1.390 61 I HN 0.760 nan 8.210 nan 0.000 0.475 62 A N 5.381 127.821 122.820 -0.633 0.000 2.536 62 A HA 0.799 5.119 4.320 -0.000 0.000 0.293 62 A C -1.709 175.662 177.584 -0.356 0.000 1.119 62 A CA -0.498 51.160 52.037 -0.632 0.000 0.654 62 A CB 1.532 19.800 19.000 -1.220 0.000 1.291 62 A HN 0.622 nan 8.150 nan 0.000 0.439 63 C N 0.709 119.858 119.300 -0.252 0.000 2.609 63 C HA 0.902 5.362 4.460 -0.000 0.000 0.313 63 C C 0.483 175.402 174.990 -0.118 0.000 1.175 63 C CA 0.058 58.983 59.018 -0.156 0.000 1.434 63 C CB 1.164 28.835 27.740 -0.115 0.000 2.005 63 C HN 1.185 nan 8.230 nan 0.000 0.471 64 T N -0.067 114.433 114.554 -0.089 0.000 2.910 64 T HA 0.847 5.197 4.350 -0.000 0.000 0.287 64 T C 0.207 174.884 174.700 -0.038 0.000 1.050 64 T CA -0.293 61.773 62.100 -0.057 0.000 1.011 64 T CB 1.621 70.457 68.868 -0.054 0.000 1.195 64 T HN 0.956 nan 8.240 nan 0.000 0.540 65 G N -0.228 108.564 108.800 -0.014 0.000 2.535 65 G HA2 0.452 4.411 3.960 -0.000 0.000 0.303 65 G HA3 0.452 4.411 3.960 -0.000 0.000 0.303 65 G C -0.210 174.691 174.900 0.002 0.000 1.237 65 G CA -0.625 44.475 45.100 -0.001 0.000 0.986 65 G HN 0.864 nan 8.290 nan 0.000 0.494 66 D N -0.884 119.520 120.400 0.007 0.000 2.676 66 D HA 0.135 4.775 4.640 -0.000 0.000 0.239 66 D C -0.132 176.178 176.300 0.018 0.000 1.213 66 D CA -0.512 53.492 54.000 0.008 0.000 0.835 66 D CB -0.030 40.773 40.800 0.006 0.000 1.009 66 D HN 0.316 nan 8.370 nan 0.000 0.479 67 D N -1.979 118.436 120.400 0.026 0.000 2.440 67 D HA 0.214 4.854 4.640 -0.000 0.000 0.258 67 D C 1.129 177.453 176.300 0.040 0.000 1.092 67 D CA -0.968 53.054 54.000 0.037 0.000 1.016 67 D CB 0.776 41.607 40.800 0.051 0.000 1.141 67 D HN -0.145 nan 8.370 nan 0.000 0.552 68 S N -0.617 115.112 115.700 0.049 0.000 2.356 68 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 68 S C 1.817 176.461 174.600 0.075 0.000 1.032 68 S CA 0.783 59.017 58.200 0.056 0.000 1.005 68 S CB -0.512 62.723 63.200 0.059 0.000 0.867 68 S HN 0.506 nan 8.310 nan 0.000 0.449 69 I N 1.789 122.417 120.570 0.095 0.000 2.361 69 I HA -0.009 4.160 4.170 -0.000 0.000 0.251 69 I C 2.171 178.340 176.117 0.086 0.000 1.133 69 I CA 1.513 62.897 61.300 0.139 0.000 1.413 69 I CB -1.005 37.096 38.000 0.167 0.000 1.073 69 I HN 0.367 nan 8.210 nan 0.000 0.424 70 G N -0.419 108.408 108.800 0.045 0.000 2.418 70 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 70 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 70 G C 1.534 176.420 174.900 -0.024 0.000 1.158 70 G CA 0.769 45.867 45.100 -0.004 0.000 0.771 70 G HN 0.504 nan 8.290 nan 0.000 0.545 71 E N 0.327 120.530 120.200 0.004 0.000 2.077 71 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 71 E C 2.676 179.277 176.600 0.002 0.000 0.989 71 E CA 1.034 57.436 56.400 0.002 0.000 0.800 71 E CB -0.172 29.540 29.700 0.019 0.000 0.746 71 E HN 0.406 nan 8.360 nan 0.000 0.452 72 S N 0.511 116.233 115.700 0.036 0.000 2.356 72 S HA -0.143 4.326 4.470 -0.000 0.000 0.223 72 S C 2.136 176.712 174.600 -0.039 0.000 1.032 72 S CA 1.147 59.401 58.200 0.090 0.000 1.005 72 S CB -0.154 63.177 63.200 0.219 0.000 0.867 72 S HN 0.211 nan 8.310 nan 0.000 0.449 73 V N 1.656 121.394 119.914 -0.293 0.000 2.453 73 V HA -0.029 4.090 4.120 -0.000 0.000 0.247 73 V C 2.465 178.340 176.094 -0.364 0.000 1.048 73 V CA 1.806 63.628 62.300 -0.796 0.000 1.049 73 V CB -0.566 30.748 31.823 -0.849 0.000 0.672 73 V HN 0.465 nan 8.190 nan 0.000 0.457 74 R N -0.591 119.804 120.500 -0.175 0.000 2.081 74 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 74 R C 2.385 178.657 176.300 -0.046 0.000 1.131 74 R CA 1.999 58.050 56.100 -0.083 0.000 0.960 74 R CB -0.354 29.917 30.300 -0.049 0.000 0.856 74 R HN 0.629 nan 8.270 nan 0.000 0.436 75 Q N 0.152 119.934 119.800 -0.030 0.000 2.084 75 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 75 Q C 2.172 178.187 176.000 0.026 0.000 0.978 75 Q CA 1.533 57.342 55.803 0.011 0.000 0.844 75 Q CB -0.078 28.681 28.738 0.034 0.000 0.898 75 Q HN 0.193 nan 8.270 nan 0.000 0.426 76 Q N 1.228 121.037 119.800 0.015 0.000 2.020 76 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 76 Q C 1.929 177.949 176.000 0.033 0.000 0.982 76 Q CA 1.491 57.333 55.803 0.066 0.000 0.838 76 Q CB -0.403 28.412 28.738 0.128 0.000 0.899 76 Q HN 0.389 nan 8.270 nan 0.000 0.423 77 L N 0.086 121.289 121.223 -0.035 0.000 2.081 77 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 77 L C 2.401 179.282 176.870 0.018 0.000 1.080 77 L CA 1.163 55.992 54.840 -0.019 0.000 0.754 77 L CB -0.865 41.189 42.059 -0.008 0.000 0.893 77 L HN 0.354 nan 8.230 nan 0.000 0.433 78 A N -0.025 122.813 122.820 0.030 0.000 2.019 78 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 78 A C 2.319 179.942 177.584 0.065 0.000 1.164 78 A CA 1.983 54.046 52.037 0.043 0.000 0.644 78 A CB -0.776 18.246 19.000 0.036 0.000 0.805 78 A HN 0.537 nan 8.150 nan 0.000 0.449 79 T N -3.579 111.026 114.554 0.085 0.000 3.148 79 T HA 0.039 4.389 4.350 -0.000 0.000 0.253 79 T C 0.423 175.252 174.700 0.214 0.000 1.134 79 T CA 0.822 63.002 62.100 0.133 0.000 1.051 79 T CB -0.096 68.854 68.868 0.137 0.000 0.959 79 T HN 0.307 nan 8.240 nan 0.000 0.525 80 D N 2.367 122.844 120.400 0.129 0.000 2.395 80 D HA 0.142 4.782 4.640 -0.000 0.000 0.226 80 D C 0.117 176.425 176.300 0.013 0.000 1.146 80 D CA -0.138 53.894 54.000 0.053 0.000 0.830 80 D CB -0.176 40.572 40.800 -0.087 0.000 0.958 80 D HN 0.339 nan 8.370 nan 0.000 0.501 81 N N 0.696 119.453 118.700 0.094 0.000 2.758 81 N HA -0.182 4.557 4.740 -0.000 0.000 0.248 81 N C -0.493 175.027 175.510 0.018 0.000 1.076 81 N CA 0.615 53.707 53.050 0.071 0.000 0.696 81 N CB -1.299 37.244 38.487 0.093 0.000 0.979 81 N HN 0.417 nan 8.380 nan 0.000 0.550 82 I N 0.322 120.901 120.570 0.015 0.000 2.436 82 I HA 0.144 4.313 4.170 -0.000 0.000 0.289 82 I C 0.181 176.321 176.117 0.040 0.000 1.010 82 I CA -0.837 60.469 61.300 0.009 0.000 1.098 82 I CB 2.010 40.001 38.000 -0.014 0.000 1.266 82 I HN -0.140 nan 8.210 nan 0.000 0.434 83 D N 7.199 127.627 120.400 0.045 0.000 2.338 83 D HA 0.142 4.781 4.640 -0.000 0.000 0.255 83 D C 0.672 177.014 176.300 0.070 0.000 1.237 83 D CA -0.138 53.890 54.000 0.047 0.000 0.883 83 D CB 0.879 41.702 40.800 0.038 0.000 1.087 83 D HN 0.542 nan 8.370 nan 0.000 0.485 84 I N 1.134 121.740 120.570 0.059 0.000 3.904 84 I HA 0.091 4.261 4.170 -0.000 0.000 0.333 84 I C 1.472 177.600 176.117 0.019 0.000 1.361 84 I CA -0.201 61.136 61.300 0.062 0.000 1.116 84 I CB -0.297 37.736 38.000 0.054 0.000 1.028 84 I HN 0.249 nan 8.210 nan 0.000 0.398 85 T N -0.020 114.543 114.554 0.016 0.000 2.803 85 T HA -0.006 4.343 4.350 -0.000 0.000 0.269 85 T C -0.439 174.250 174.700 -0.018 0.000 1.052 85 T CA 1.177 63.277 62.100 -0.001 0.000 1.136 85 T CB -1.883 66.987 68.868 0.003 0.000 0.864 85 T HN 0.345 nan 8.240 nan 0.000 0.467 86 P HA 0.276 nan 4.420 nan 0.000 0.245 86 P C -0.347 176.884 177.300 -0.115 0.000 1.212 86 P CA -0.048 63.019 63.100 -0.054 0.000 0.774 86 P CB -0.036 31.641 31.700 -0.037 0.000 0.999 87 V N 0.600 120.445 119.914 -0.115 0.000 2.389 87 V HA 0.123 4.243 4.120 -0.000 0.000 0.264 87 V C 0.636 176.659 176.094 -0.118 0.000 1.049 87 V CA 0.102 62.298 62.300 -0.173 0.000 0.932 87 V CB 0.469 32.208 31.823 -0.140 0.000 1.011 87 V HN 0.029 nan 8.190 nan 0.000 0.475 88 S N 3.956 119.580 115.700 -0.127 0.000 2.616 88 S HA 0.566 5.036 4.470 -0.000 0.000 0.277 88 S C -0.157 174.397 174.600 -0.076 0.000 1.234 88 S CA -0.556 57.592 58.200 -0.087 0.000 1.028 88 S CB 1.840 64.991 63.200 -0.081 0.000 0.988 88 S HN 0.451 nan 8.310 nan 0.000 0.522 89 V N 3.864 123.746 119.914 -0.053 0.000 2.347 89 V HA 0.310 4.430 4.120 -0.000 0.000 0.280 89 V C -0.449 175.624 176.094 -0.034 0.000 1.021 89 V CA -0.660 61.615 62.300 -0.041 0.000 0.847 89 V CB 0.970 32.776 31.823 -0.028 0.000 0.990 89 V HN 0.679 nan 8.190 nan 0.000 0.444 90 I N 5.179 125.729 120.570 -0.033 0.000 2.322 90 I HA 0.284 4.454 4.170 -0.000 0.000 0.292 90 I C 0.693 176.801 176.117 -0.014 0.000 1.060 90 I CA -0.423 60.861 61.300 -0.026 0.000 1.309 90 I CB 0.637 38.619 38.000 -0.031 0.000 1.415 90 I HN 0.573 nan 8.210 nan 0.000 0.492 91 K N 4.324 124.718 120.400 -0.011 0.000 2.401 91 K HA 0.295 4.614 4.320 -0.000 0.000 0.278 91 K C 1.122 177.722 176.600 -0.000 0.000 1.018 91 K CA 0.503 56.787 56.287 -0.004 0.000 0.981 91 K CB 0.361 32.858 32.500 -0.005 0.000 0.933 91 K HN 0.907 nan 8.250 nan 0.000 0.477 92 G N 1.433 110.237 108.800 0.005 0.000 2.148 92 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 92 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 92 G C -0.154 174.755 174.900 0.015 0.000 0.981 92 G CA 0.540 45.646 45.100 0.010 0.000 0.670 92 G HN 0.558 nan 8.290 nan 0.000 0.528 93 E N 0.431 120.640 120.200 0.015 0.000 2.312 93 E HA 0.717 5.067 4.350 -0.000 0.000 0.267 93 E C 0.316 176.937 176.600 0.035 0.000 0.894 93 E CA 0.004 56.417 56.400 0.022 0.000 0.773 93 E CB 1.421 31.122 29.700 0.002 0.000 1.241 93 E HN 0.537 nan 8.360 nan 0.000 0.432 94 S N 1.300 117.041 115.700 0.068 0.000 2.654 94 S HA 0.539 5.008 4.470 -0.000 0.000 0.283 94 S C -0.122 174.520 174.600 0.070 0.000 1.180 94 S CA -0.777 57.480 58.200 0.094 0.000 1.021 94 S CB 1.257 64.559 63.200 0.169 0.000 1.018 94 S HN 0.425 nan 8.310 nan 0.000 0.532 95 T N 2.274 116.873 114.554 0.074 0.000 2.884 95 T HA 0.466 4.816 4.350 -0.000 0.000 0.298 95 T C 1.055 175.800 174.700 0.074 0.000 0.998 95 T CA 0.214 62.344 62.100 0.051 0.000 1.124 95 T CB 0.263 69.166 68.868 0.058 0.000 0.931 95 T HN 0.937 nan 8.240 nan 0.000 0.531 96 G N 1.661 110.465 108.800 0.006 0.000 2.568 96 G HA2 0.347 4.307 3.960 -0.000 0.000 0.231 96 G HA3 0.347 4.307 3.960 -0.000 0.000 0.231 96 G C -0.630 174.342 174.900 0.120 0.000 1.261 96 G CA -0.295 44.801 45.100 -0.007 0.000 0.855 96 G HN 0.654 nan 8.290 nan 0.000 0.576 97 V N 0.625 120.640 119.914 0.169 0.000 2.841 97 V HA 0.757 4.876 4.120 -0.000 0.000 0.310 97 V C 0.122 176.308 176.094 0.152 0.000 1.090 97 V CA -0.453 61.969 62.300 0.204 0.000 0.930 97 V CB 1.938 33.887 31.823 0.210 0.000 1.014 97 V HN 1.277 nan 8.190 nan 0.000 0.425 98 A N 4.708 127.622 122.820 0.157 0.000 2.343 98 A HA 0.890 5.210 4.320 -0.000 0.000 0.308 98 A C -1.162 176.475 177.584 0.087 0.000 1.092 98 A CA -0.500 51.592 52.037 0.090 0.000 0.751 98 A CB 1.030 20.071 19.000 0.068 0.000 1.203 98 A HN 0.767 nan 8.150 nan 0.000 0.452 99 L N 3.660 124.874 121.223 -0.015 0.000 2.280 99 L HA 0.543 4.883 4.340 -0.000 0.000 0.287 99 L C -0.809 175.941 176.870 -0.200 0.000 1.023 99 L CA -0.168 54.611 54.840 -0.102 0.000 0.819 99 L CB 1.051 42.986 42.059 -0.206 0.000 1.212 99 L HN 0.576 nan 8.230 nan 0.000 0.420 100 I N 2.920 123.401 120.570 -0.148 0.000 2.465 100 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 100 I C -0.954 175.166 176.117 0.006 0.000 1.014 100 I CA -0.473 60.770 61.300 -0.095 0.000 1.093 100 I CB 2.123 40.138 38.000 0.024 0.000 1.267 100 I HN 0.292 nan 8.210 nan 0.000 0.431 101 F N 5.269 125.299 119.950 0.133 0.000 2.458 101 F HA 0.561 5.087 4.527 -0.000 0.000 0.336 101 F C -0.027 175.970 175.800 0.328 0.000 1.114 101 F CA -1.125 57.008 58.000 0.222 0.000 0.987 101 F CB 1.958 41.096 39.000 0.231 0.000 1.130 101 F HN -0.042 nan 8.300 nan 0.000 0.458 102 V N 4.493 124.692 119.914 0.475 0.000 2.444 102 V HA 0.338 4.458 4.120 -0.000 0.000 0.294 102 V C -0.235 175.940 176.094 0.136 0.000 1.022 102 V CA -1.014 61.474 62.300 0.312 0.000 0.850 102 V CB 1.489 33.423 31.823 0.184 0.000 0.992 102 V HN 0.788 nan 8.190 nan 0.000 0.426 103 N N 3.735 122.377 118.700 -0.096 0.000 2.431 103 N HA 0.318 5.057 4.740 -0.000 0.000 0.289 103 N C 1.367 176.780 175.510 -0.161 0.000 1.277 103 N CA 0.037 52.888 53.050 -0.332 0.000 0.972 103 N CB 0.396 38.386 38.487 -0.829 0.000 1.143 103 N HN 0.497 nan 8.380 nan 0.000 0.578 104 G N -1.455 107.246 108.800 -0.166 0.000 2.534 104 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.217 104 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.217 104 G C 0.671 175.525 174.900 -0.078 0.000 1.128 104 G CA 0.214 45.260 45.100 -0.091 0.000 0.784 104 G HN 0.719 nan 8.290 nan 0.000 0.542 105 E N -0.229 119.907 120.200 -0.107 0.000 2.489 105 E HA 0.253 4.603 4.350 -0.000 0.000 0.193 105 E C 1.885 178.466 176.600 -0.031 0.000 1.057 105 E CA 0.157 56.517 56.400 -0.066 0.000 0.866 105 E CB 0.090 29.745 29.700 -0.075 0.000 0.916 105 E HN 0.362 nan 8.360 nan 0.000 0.500 106 G N 1.551 110.337 108.800 -0.025 0.000 2.245 106 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.264 106 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.264 106 G C 0.221 175.158 174.900 0.062 0.000 0.985 106 G CA 0.180 45.290 45.100 0.017 0.000 0.625 106 G HN 0.202 nan 8.290 nan 0.000 0.536 107 E N 1.580 121.826 120.200 0.077 0.000 2.373 107 E HA 0.360 4.710 4.350 -0.000 0.000 0.263 107 E C 0.659 177.478 176.600 0.365 0.000 1.073 107 E CA 0.052 56.561 56.400 0.182 0.000 0.894 107 E CB 0.795 30.618 29.700 0.204 0.000 1.008 107 E HN 0.807 nan 8.360 nan 0.000 0.420 108 N N -0.716 118.186 118.700 0.337 0.000 2.509 108 N HA 0.470 5.209 4.740 -0.000 0.000 0.280 108 N C -1.305 174.269 175.510 0.107 0.000 1.306 108 N CA -0.752 52.502 53.050 0.340 0.000 0.782 108 N CB 1.750 40.356 38.487 0.199 0.000 1.493 108 N HN 0.132 nan 8.380 nan 0.000 0.498 109 V N 1.135 121.037 119.914 -0.020 0.000 2.577 109 V HA 0.472 4.591 4.120 -0.000 0.000 0.303 109 V C -0.684 175.359 176.094 -0.085 0.000 1.042 109 V CA -0.646 61.555 62.300 -0.166 0.000 0.872 109 V CB 1.461 33.023 31.823 -0.434 0.000 0.998 109 V HN 0.595 nan 8.190 nan 0.000 0.423 110 I N 4.689 125.216 120.570 -0.073 0.000 2.389 110 I HA 0.602 4.772 4.170 -0.000 0.000 0.288 110 I C 0.606 176.681 176.117 -0.070 0.000 0.999 110 I CA -0.431 60.830 61.300 -0.065 0.000 1.129 110 I CB 1.963 39.948 38.000 -0.024 0.000 1.288 110 I HN 0.685 nan 8.210 nan 0.000 0.444 111 G N 7.341 116.087 108.800 -0.091 0.000 2.417 111 G HA2 0.727 4.687 3.960 -0.000 0.000 0.320 111 G HA3 0.727 4.687 3.960 -0.000 0.000 0.320 111 G C -0.785 174.099 174.900 -0.027 0.000 1.204 111 G CA -0.368 44.692 45.100 -0.066 0.000 0.923 111 G HN 0.469 nan 8.290 nan 0.000 0.466 112 I N 1.374 121.944 120.570 0.001 0.000 2.441 112 I HA 0.231 4.401 4.170 -0.000 0.000 0.295 112 I C -0.690 175.470 176.117 0.072 0.000 0.994 112 I CA -1.048 60.271 61.300 0.031 0.000 1.144 112 I CB 2.299 40.307 38.000 0.013 0.000 1.314 112 I HN 0.587 nan 8.210 nan 0.000 0.445 113 H N 5.800 124.865 119.070 -0.008 0.000 2.661 113 H HA 0.481 5.036 4.556 -0.000 0.000 0.290 113 H C 0.481 175.811 175.328 0.004 0.000 1.082 113 H CA -0.497 55.548 56.048 -0.006 0.000 1.234 113 H CB 1.540 31.297 29.762 -0.008 0.000 1.387 113 H HN 0.714 nan 8.280 nan 0.000 0.476 114 A N 4.442 127.080 122.820 -0.304 0.000 1.883 114 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 114 A C 2.007 179.339 177.584 -0.420 0.000 1.186 114 A CA 1.407 53.279 52.037 -0.275 0.000 0.624 114 A CB -1.273 17.630 19.000 -0.162 0.000 0.822 114 A HN 1.248 nan 8.150 nan 0.000 0.444 115 G N -1.468 106.877 108.800 -0.758 0.000 2.614 115 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.303 115 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.303 115 G C 1.403 176.185 174.900 -0.195 0.000 1.270 115 G CA 1.872 46.675 45.100 -0.495 0.000 0.988 115 G HN 1.634 nan 8.290 nan 0.000 0.551 116 A N -0.353 122.400 122.820 -0.112 0.000 2.084 116 A HA -0.138 4.182 4.320 -0.000 0.000 0.221 116 A C 2.192 179.725 177.584 -0.084 0.000 1.161 116 A CA 2.363 54.355 52.037 -0.075 0.000 0.653 116 A CB -0.546 18.422 19.000 -0.053 0.000 0.802 116 A HN 0.689 nan 8.150 nan 0.000 0.457 117 N N 0.445 119.086 118.700 -0.097 0.000 2.205 117 N HA -0.132 4.607 4.740 -0.000 0.000 0.186 117 N C 1.706 177.171 175.510 -0.074 0.000 1.015 117 N CA 1.354 54.355 53.050 -0.082 0.000 0.862 117 N CB -0.393 38.051 38.487 -0.071 0.000 0.986 117 N HN 0.528 nan 8.380 nan 0.000 0.429 118 A N 0.483 123.255 122.820 -0.080 0.000 2.168 118 A HA 0.203 4.523 4.320 -0.000 0.000 0.215 118 A C 2.057 179.610 177.584 -0.050 0.000 1.152 118 A CA 1.131 53.131 52.037 -0.061 0.000 0.716 118 A CB -0.174 18.789 19.000 -0.062 0.000 0.794 118 A HN 0.285 nan 8.150 nan 0.000 0.465 119 A N -0.920 121.867 122.820 -0.055 0.000 2.275 119 A HA 0.371 4.691 4.320 -0.000 0.000 0.212 119 A C 0.942 178.495 177.584 -0.052 0.000 1.201 119 A CA -0.177 51.831 52.037 -0.048 0.000 0.843 119 A CB -0.302 18.671 19.000 -0.046 0.000 0.873 119 A HN 0.477 nan 8.150 nan 0.000 0.492 120 L N 2.677 123.864 121.223 -0.060 0.000 2.448 120 L HA 0.174 4.514 4.340 -0.000 0.000 0.278 120 L C 0.516 177.358 176.870 -0.047 0.000 1.201 120 L CA -0.428 54.373 54.840 -0.064 0.000 1.036 120 L CB 0.002 42.015 42.059 -0.078 0.000 1.325 120 L HN 0.464 nan 8.230 nan 0.000 0.441 121 S N 3.150 118.826 115.700 -0.040 0.000 2.707 121 S HA 0.502 4.972 4.470 -0.000 0.000 0.276 121 S C -1.892 172.692 174.600 -0.026 0.000 1.179 121 S CA -1.289 56.893 58.200 -0.030 0.000 0.992 121 S CB 1.246 64.430 63.200 -0.026 0.000 1.030 121 S HN 0.342 nan 8.310 nan 0.000 0.554 122 P HA 0.010 nan 4.420 nan 0.000 0.218 122 P C 1.430 178.720 177.300 -0.015 0.000 1.149 122 P CA 1.668 64.759 63.100 -0.015 0.000 0.817 122 P CB -0.191 31.502 31.700 -0.011 0.000 0.785 123 A N -0.501 122.309 122.820 -0.017 0.000 1.898 123 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 123 A C 2.137 179.708 177.584 -0.021 0.000 1.181 123 A CA 1.336 53.363 52.037 -0.017 0.000 0.620 123 A CB -1.591 17.399 19.000 -0.017 0.000 0.819 123 A HN 0.114 nan 8.150 nan 0.000 0.442 124 L N -0.459 120.748 121.223 -0.027 0.000 2.141 124 L HA -0.128 4.211 4.340 -0.000 0.000 0.209 124 L C 2.444 179.295 176.870 -0.032 0.000 1.094 124 L CA 0.741 55.560 54.840 -0.035 0.000 0.763 124 L CB -0.477 41.553 42.059 -0.048 0.000 0.908 124 L HN 0.249 nan 8.230 nan 0.000 0.437 125 V N -0.116 119.782 119.914 -0.027 0.000 2.323 125 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 125 V C 2.472 178.558 176.094 -0.014 0.000 1.041 125 V CA 1.826 64.114 62.300 -0.020 0.000 1.025 125 V CB -0.335 31.480 31.823 -0.014 0.000 0.656 125 V HN 0.412 nan 8.190 nan 0.000 0.451 126 E N 1.136 121.329 120.200 -0.012 0.000 2.160 126 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 126 E C 1.984 178.579 176.600 -0.010 0.000 0.991 126 E CA 1.522 57.917 56.400 -0.008 0.000 0.810 126 E CB -0.416 29.280 29.700 -0.007 0.000 0.742 126 E HN 0.533 nan 8.360 nan 0.000 0.466 127 A N -0.042 122.769 122.820 -0.014 0.000 2.121 127 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 127 A C 1.617 179.192 177.584 -0.014 0.000 1.154 127 A CA 1.062 53.090 52.037 -0.015 0.000 0.679 127 A CB -0.122 18.866 19.000 -0.020 0.000 0.795 127 A HN 0.184 nan 8.150 nan 0.000 0.458 128 Q N -0.989 118.803 119.800 -0.014 0.000 2.198 128 Q HA 0.124 4.464 4.340 -0.000 0.000 0.209 128 Q C 1.544 177.541 176.000 -0.005 0.000 0.848 128 Q CA 0.024 55.820 55.803 -0.011 0.000 0.974 128 Q CB 0.079 28.808 28.738 -0.014 0.000 1.115 128 Q HN 0.812 nan 8.270 nan 0.000 0.494 129 R N 1.383 121.881 120.500 -0.004 0.000 2.133 129 R HA -0.259 4.081 4.340 -0.000 0.000 0.245 129 R C 1.700 178.000 176.300 0.000 0.000 1.137 129 R CA 2.094 58.194 56.100 -0.000 0.000 0.947 129 R CB 0.181 30.481 30.300 -0.001 0.000 0.865 129 R HN 0.028 nan 8.270 nan 0.000 0.437 130 E N 0.262 120.461 120.200 -0.002 0.000 2.077 130 E HA -0.194 4.155 4.350 -0.000 0.000 0.193 130 E C 2.055 178.655 176.600 -0.000 0.000 0.989 130 E CA 1.564 57.963 56.400 -0.001 0.000 0.800 130 E CB -0.172 29.526 29.700 -0.002 0.000 0.746 130 E HN 0.336 nan 8.360 nan 0.000 0.452 131 R N -0.018 120.483 120.500 0.001 0.000 2.081 131 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 131 R C 2.323 178.627 176.300 0.006 0.000 1.131 131 R CA 1.675 57.777 56.100 0.003 0.000 0.960 131 R CB -0.334 29.968 30.300 0.004 0.000 0.856 131 R HN 0.273 nan 8.270 nan 0.000 0.436 132 I N 0.574 121.148 120.570 0.007 0.000 2.252 132 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 132 I C 2.542 178.664 176.117 0.008 0.000 1.102 132 I CA 1.099 62.405 61.300 0.010 0.000 1.385 132 I CB -0.351 37.657 38.000 0.012 0.000 1.064 132 I HN 0.276 nan 8.210 nan 0.000 0.414 133 A N 0.894 123.717 122.820 0.004 0.000 1.972 133 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 133 A C 1.934 179.517 177.584 -0.003 0.000 1.169 133 A CA 1.635 53.672 52.037 -0.000 0.000 0.635 133 A CB -0.506 18.492 19.000 -0.002 0.000 0.810 133 A HN 0.434 nan 8.150 nan 0.000 0.446 134 N N -0.003 118.696 118.700 -0.001 0.000 2.412 134 N HA 0.173 4.913 4.740 -0.000 0.000 0.184 134 N C 0.597 176.106 175.510 -0.002 0.000 1.101 134 N CA 0.736 53.785 53.050 -0.003 0.000 0.881 134 N CB -0.118 38.368 38.487 -0.002 0.000 0.969 134 N HN 0.466 nan 8.380 nan 0.000 0.459 135 A N 0.168 122.989 122.820 0.001 0.000 2.351 135 A HA 0.347 4.667 4.320 -0.000 0.000 0.257 135 A C 1.224 178.807 177.584 -0.001 0.000 1.087 135 A CA -0.260 51.778 52.037 0.002 0.000 0.798 135 A CB 0.533 19.538 19.000 0.008 0.000 1.033 135 A HN 0.122 nan 8.150 nan 0.000 0.488 136 S N 0.043 115.740 115.700 -0.005 0.000 2.414 136 S HA 0.340 4.809 4.470 -0.000 0.000 0.227 136 S C 0.780 175.377 174.600 -0.005 0.000 1.022 136 S CA 1.012 59.208 58.200 -0.008 0.000 0.958 136 S CB -0.120 63.072 63.200 -0.014 0.000 0.797 136 S HN 1.309 nan 8.310 nan 0.000 0.493 137 A N 0.486 123.305 122.820 -0.002 0.000 2.594 137 A HA 0.737 5.057 4.320 -0.000 0.000 0.295 137 A C -1.903 175.687 177.584 0.009 0.000 1.071 137 A CA -0.649 51.389 52.037 0.002 0.000 0.685 137 A CB 1.258 20.254 19.000 -0.006 0.000 1.285 137 A HN 0.204 nan 8.150 nan 0.000 0.405 138 L N 1.500 122.733 121.223 0.016 0.000 2.376 138 L HA 0.809 5.149 4.340 -0.000 0.000 0.275 138 L C -1.679 175.206 176.870 0.024 0.000 0.987 138 L CA -0.596 54.259 54.840 0.024 0.000 0.828 138 L CB 1.524 43.600 42.059 0.029 0.000 1.249 138 L HN 0.730 nan 8.230 nan 0.000 0.409 139 L N 6.099 127.338 121.223 0.027 0.000 2.305 139 L HA 0.763 5.103 4.340 -0.000 0.000 0.284 139 L C -1.031 175.864 176.870 0.041 0.000 1.013 139 L CA -0.022 54.832 54.840 0.024 0.000 0.819 139 L CB 1.313 43.375 42.059 0.005 0.000 1.227 139 L HN 0.768 nan 8.230 nan 0.000 0.417 140 M N 3.480 123.103 119.600 0.039 0.000 2.658 140 M HA 0.585 5.064 4.480 -0.000 0.000 0.295 140 M C -0.954 175.370 176.300 0.040 0.000 1.248 140 M CA -0.738 54.590 55.300 0.047 0.000 0.843 140 M CB 2.460 35.083 32.600 0.038 0.000 1.749 140 M HN 0.530 nan 8.290 nan 0.000 0.464 141 Q N 0.216 120.042 119.800 0.042 0.000 3.146 141 Q HA 0.633 4.973 4.340 -0.000 0.000 0.318 141 Q C -0.610 175.406 176.000 0.027 0.000 0.992 141 Q CA -0.773 55.051 55.803 0.035 0.000 0.809 141 Q CB 1.113 29.874 28.738 0.038 0.000 1.490 141 Q HN 0.658 nan 8.270 nan 0.000 0.493 142 L N 1.008 122.244 121.223 0.021 0.000 3.062 142 L HA 0.358 4.697 4.340 -0.000 0.000 0.255 142 L C 0.072 176.948 176.870 0.010 0.000 1.274 142 L CA 0.214 55.062 54.840 0.013 0.000 1.047 142 L CB 0.199 42.264 42.059 0.009 0.000 1.402 142 L HN 0.592 nan 8.230 nan 0.000 0.550 143 E N -0.321 119.888 120.200 0.015 0.000 2.451 143 E HA 0.188 4.538 4.350 -0.000 0.000 0.194 143 E C -0.012 176.587 176.600 -0.000 0.000 1.027 143 E CA -0.128 56.277 56.400 0.009 0.000 0.914 143 E CB 0.809 30.519 29.700 0.018 0.000 1.054 143 E HN 0.232 nan 8.360 nan 0.000 0.461 144 S N 1.259 116.959 115.700 -0.000 0.000 2.600 144 S HA 0.431 4.901 4.470 -0.000 0.000 0.300 144 S C -2.574 172.018 174.600 -0.013 0.000 1.087 144 S CA -1.400 56.793 58.200 -0.011 0.000 0.965 144 S CB 1.666 64.861 63.200 -0.007 0.000 1.089 144 S HN -0.087 nan 8.310 nan 0.000 0.496 145 P HA 0.065 nan 4.420 nan 0.000 0.262 145 P C 0.713 178.006 177.300 -0.011 0.000 1.182 145 P CA -0.223 62.867 63.100 -0.017 0.000 0.761 145 P CB 0.355 32.042 31.700 -0.021 0.000 0.795 146 L N 4.612 125.830 121.223 -0.009 0.000 2.042 146 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 146 L C 1.685 178.551 176.870 -0.007 0.000 1.076 146 L CA 2.067 56.903 54.840 -0.007 0.000 0.749 146 L CB -0.953 41.102 42.059 -0.006 0.000 0.893 146 L HN 0.312 nan 8.230 nan 0.000 0.432 147 E N -0.830 119.364 120.200 -0.009 0.000 2.118 147 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 147 E C 2.180 178.775 176.600 -0.008 0.000 0.992 147 E CA 1.518 57.913 56.400 -0.008 0.000 0.804 147 E CB -0.473 29.221 29.700 -0.009 0.000 0.741 147 E HN 0.465 nan 8.360 nan 0.000 0.458 148 S N -0.087 115.607 115.700 -0.010 0.000 2.371 148 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 148 S C 2.113 176.710 174.600 -0.006 0.000 1.029 148 S CA 0.769 58.963 58.200 -0.011 0.000 0.978 148 S CB -0.152 63.038 63.200 -0.018 0.000 0.833 148 S HN 0.064 nan 8.310 nan 0.000 0.466 149 V N 1.917 121.829 119.914 -0.003 0.000 2.407 149 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 149 V C 2.323 178.419 176.094 0.002 0.000 1.055 149 V CA 1.938 64.240 62.300 0.003 0.000 1.049 149 V CB -0.578 31.247 31.823 0.004 0.000 0.662 149 V HN 0.434 nan 8.190 nan 0.000 0.455 150 M N 0.913 120.512 119.600 -0.002 0.000 2.099 150 M HA -0.054 4.425 4.480 -0.000 0.000 0.262 150 M C 2.085 178.385 176.300 0.000 0.000 1.067 150 M CA 2.263 57.561 55.300 -0.004 0.000 1.124 150 M CB -0.730 31.866 32.600 -0.007 0.000 1.353 150 M HN 0.226 nan 8.290 nan 0.000 0.410 151 A N -0.117 122.703 122.820 0.001 0.000 1.883 151 A HA 0.004 4.323 4.320 -0.000 0.000 0.217 151 A C 2.385 179.975 177.584 0.010 0.000 1.186 151 A CA 2.224 54.264 52.037 0.004 0.000 0.624 151 A CB -1.519 17.481 19.000 -0.000 0.000 0.822 151 A HN 0.670 nan 8.150 nan 0.000 0.444 152 A N -0.261 122.564 122.820 0.009 0.000 1.898 152 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 152 A C 2.506 180.105 177.584 0.025 0.000 1.181 152 A CA 2.028 54.074 52.037 0.015 0.000 0.620 152 A CB -1.007 18.001 19.000 0.013 0.000 0.819 152 A HN 1.070 nan 8.150 nan 0.000 0.442 153 A N 0.009 122.843 122.820 0.022 0.000 1.902 153 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 153 A C 2.110 179.725 177.584 0.053 0.000 1.181 153 A CA 1.868 53.923 52.037 0.030 0.000 0.623 153 A CB -0.450 18.555 19.000 0.008 0.000 0.818 153 A HN 0.555 nan 8.150 nan 0.000 0.443 154 K N -0.489 119.936 120.400 0.041 0.000 2.057 154 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 154 K C 1.818 178.472 176.600 0.090 0.000 1.049 154 K CA 1.499 57.828 56.287 0.069 0.000 0.931 154 K CB -0.373 32.151 32.500 0.040 0.000 0.714 154 K HN 0.541 nan 8.250 nan 0.000 0.440 155 I N 1.081 121.684 120.570 0.054 0.000 2.179 155 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 155 I C 2.562 178.706 176.117 0.046 0.000 1.088 155 I CA 1.130 62.455 61.300 0.041 0.000 1.357 155 I CB -0.441 37.573 38.000 0.024 0.000 1.051 155 I HN 0.152 nan 8.210 nan 0.000 0.409 156 A N 0.146 122.999 122.820 0.055 0.000 1.908 156 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 156 A C 2.191 179.817 177.584 0.071 0.000 1.181 156 A CA 2.264 54.333 52.037 0.052 0.000 0.627 156 A CB -1.019 18.013 19.000 0.054 0.000 0.818 156 A HN 0.532 nan 8.150 nan 0.000 0.445 157 H N -0.029 119.043 119.070 0.004 0.000 2.293 157 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 157 H C 2.111 177.440 175.328 0.003 0.000 1.082 157 H CA 2.292 58.343 56.048 0.005 0.000 1.308 157 H CB -0.330 29.435 29.762 0.006 0.000 1.375 157 H HN 0.596 nan 8.280 nan 0.000 0.495 158 Q N -0.419 119.367 119.800 -0.024 0.000 2.297 158 Q HA -0.106 4.234 4.340 -0.000 0.000 0.208 158 Q C 0.815 176.762 176.000 -0.089 0.000 0.981 158 Q CA 1.275 57.032 55.803 -0.078 0.000 0.876 158 Q CB 0.135 28.873 28.738 -0.000 0.000 0.921 158 Q HN 0.547 nan 8.270 nan 0.000 0.446 159 N N 0.065 118.729 118.700 -0.060 0.000 2.234 159 N HA 0.106 4.845 4.740 -0.000 0.000 0.227 159 N C -0.798 174.683 175.510 -0.049 0.000 1.151 159 N CA 0.036 53.059 53.050 -0.046 0.000 0.865 159 N CB 0.825 39.300 38.487 -0.019 0.000 1.066 159 N HN 0.111 nan 8.380 nan 0.000 0.515 160 K N 0.160 120.513 120.400 -0.078 0.000 3.071 160 K HA -0.121 4.199 4.320 -0.000 0.000 0.265 160 K C -0.700 175.887 176.600 -0.022 0.000 1.060 160 K CA 0.603 56.856 56.287 -0.057 0.000 0.767 160 K CB -1.804 30.665 32.500 -0.053 0.000 1.241 160 K HN 0.105 nan 8.250 nan 0.000 0.486 161 T N 1.253 115.803 114.554 -0.006 0.000 2.767 161 T HA 0.399 4.748 4.350 -0.000 0.000 0.288 161 T C 0.738 175.451 174.700 0.022 0.000 0.963 161 T CA -0.636 61.468 62.100 0.007 0.000 1.019 161 T CB 0.766 69.642 68.868 0.013 0.000 0.923 161 T HN 0.124 nan 8.240 nan 0.000 0.468 162 I N 3.248 123.827 120.570 0.017 0.000 2.683 162 I HA 0.036 4.206 4.170 -0.000 0.000 0.286 162 I C 0.125 176.259 176.117 0.030 0.000 1.175 162 I CA -0.055 61.259 61.300 0.024 0.000 1.429 162 I CB 0.407 38.414 38.000 0.011 0.000 1.371 162 I HN 0.237 nan 8.210 nan 0.000 0.569 163 V N 7.027 126.966 119.914 0.041 0.000 2.333 163 V HA 0.477 4.597 4.120 -0.000 0.000 0.274 163 V C 0.431 176.543 176.094 0.030 0.000 1.028 163 V CA -0.482 61.841 62.300 0.038 0.000 0.851 163 V CB 1.078 32.928 31.823 0.046 0.000 1.000 163 V HN 0.831 nan 8.190 nan 0.000 0.456 164 A N 5.985 128.820 122.820 0.025 0.000 2.271 164 A HA 0.837 5.156 4.320 -0.000 0.000 0.317 164 A C -0.992 176.608 177.584 0.026 0.000 1.245 164 A CA -0.452 51.599 52.037 0.023 0.000 0.857 164 A CB 0.947 19.955 19.000 0.013 0.000 1.175 164 A HN 0.780 nan 8.150 nan 0.000 0.512 165 L N 2.993 124.234 121.223 0.029 0.000 2.349 165 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 165 L C -0.263 176.628 176.870 0.035 0.000 0.996 165 L CA -0.266 54.592 54.840 0.029 0.000 0.825 165 L CB 1.441 43.513 42.059 0.021 0.000 1.243 165 L HN 0.754 nan 8.230 nan 0.000 0.412 166 N N 6.832 125.554 118.700 0.038 0.000 2.558 166 N HA 0.315 5.055 4.740 -0.000 0.000 0.233 166 N C -2.212 173.318 175.510 0.032 0.000 1.038 166 N CA -1.584 51.493 53.050 0.045 0.000 0.934 166 N CB 1.206 39.723 38.487 0.050 0.000 1.175 166 N HN 0.446 nan 8.380 nan 0.000 0.512 167 P HA 0.081 nan 4.420 nan 0.000 0.237 167 P C -1.184 176.125 177.300 0.016 0.000 1.701 167 P CA 0.102 63.212 63.100 0.017 0.000 0.955 167 P CB -0.241 31.466 31.700 0.012 0.000 1.937 168 A N 1.966 124.797 122.820 0.019 0.000 2.414 168 A HA 0.745 5.065 4.320 -0.000 0.000 0.306 168 A C -2.910 174.683 177.584 0.015 0.000 1.054 168 A CA -2.297 49.750 52.037 0.016 0.000 0.724 168 A CB 1.202 20.214 19.000 0.020 0.000 1.267 168 A HN 0.008 nan 8.150 nan 0.000 0.418 169 P HA 0.315 nan 4.420 nan 0.000 0.270 169 P C 0.048 177.351 177.300 0.005 0.000 1.223 169 P CA 0.109 63.213 63.100 0.007 0.000 0.785 169 P CB 0.572 32.274 31.700 0.003 0.000 0.923 170 A N 2.999 125.821 122.820 0.003 0.000 2.561 170 A HA 0.355 4.674 4.320 -0.000 0.000 0.234 170 A C 0.503 178.087 177.584 -0.001 0.000 1.055 170 A CA 0.741 52.779 52.037 0.001 0.000 0.756 170 A CB -0.616 18.384 19.000 0.000 0.000 0.986 170 A HN 0.744 nan 8.150 nan 0.000 0.505 171 R N 0.925 121.425 120.500 -0.001 0.000 3.033 171 R HA 0.333 4.673 4.340 -0.000 0.000 0.284 171 R C -1.420 174.878 176.300 -0.003 0.000 0.997 171 R CA -0.831 55.267 56.100 -0.002 0.000 0.851 171 R CB 0.539 30.838 30.300 -0.002 0.000 1.297 171 R HN 0.584 nan 8.270 nan 0.000 0.518 172 E N 1.216 121.413 120.200 -0.004 0.000 2.373 172 E HA 0.380 4.730 4.350 -0.000 0.000 0.263 172 E C -0.557 176.040 176.600 -0.005 0.000 1.073 172 E CA -0.492 55.905 56.400 -0.005 0.000 0.894 172 E CB 1.047 30.743 29.700 -0.005 0.000 1.008 172 E HN 0.273 nan 8.360 nan 0.000 0.420 173 L N 2.969 124.189 121.223 -0.006 0.000 2.401 173 L HA 0.439 4.779 4.340 -0.000 0.000 0.266 173 L C -2.163 174.702 176.870 -0.008 0.000 0.991 173 L CA -2.252 52.584 54.840 -0.006 0.000 0.818 173 L CB 1.905 43.961 42.059 -0.006 0.000 1.321 173 L HN 0.417 nan 8.230 nan 0.000 0.413 174 P HA 0.055 nan 4.420 nan 0.000 0.269 174 P C -0.466 176.826 177.300 -0.013 0.000 1.209 174 P CA -0.255 62.839 63.100 -0.010 0.000 0.776 174 P CB 1.161 32.855 31.700 -0.011 0.000 0.876 175 D N 1.211 121.604 120.400 -0.012 0.000 2.221 175 D HA -0.184 4.456 4.640 -0.000 0.000 0.204 175 D C 1.602 177.889 176.300 -0.023 0.000 0.982 175 D CA 1.226 55.218 54.000 -0.015 0.000 0.857 175 D CB -0.072 40.722 40.800 -0.011 0.000 0.934 175 D HN 0.649 nan 8.370 nan 0.000 0.475 176 E N 0.148 120.334 120.200 -0.024 0.000 2.085 176 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 176 E C 2.049 178.623 176.600 -0.045 0.000 0.994 176 E CA 0.662 57.042 56.400 -0.034 0.000 0.801 176 E CB -0.021 29.664 29.700 -0.026 0.000 0.743 176 E HN 0.128 nan 8.360 nan 0.000 0.453 177 L N 0.716 121.919 121.223 -0.033 0.000 2.049 177 L HA -0.053 4.287 4.340 -0.000 0.000 0.203 177 L C 2.186 179.035 176.870 -0.036 0.000 1.074 177 L CA 1.401 56.222 54.840 -0.033 0.000 0.749 177 L CB -0.530 41.518 42.059 -0.019 0.000 0.907 177 L HN 0.216 nan 8.230 nan 0.000 0.439 178 L N -0.040 121.168 121.223 -0.026 0.000 2.081 178 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 178 L C 2.643 179.496 176.870 -0.028 0.000 1.080 178 L CA 1.266 56.094 54.840 -0.020 0.000 0.754 178 L CB -1.058 40.993 42.059 -0.014 0.000 0.893 178 L HN 0.420 nan 8.230 nan 0.000 0.433 179 A N -0.100 122.693 122.820 -0.045 0.000 2.019 179 A HA -0.110 4.209 4.320 -0.000 0.000 0.219 179 A C 2.111 179.628 177.584 -0.111 0.000 1.164 179 A CA 1.266 53.266 52.037 -0.062 0.000 0.644 179 A CB -0.520 18.436 19.000 -0.073 0.000 0.805 179 A HN 0.447 nan 8.150 nan 0.000 0.449 180 L N -0.234 120.910 121.223 -0.131 0.000 2.591 180 L HA 0.098 4.438 4.340 -0.000 0.000 0.228 180 L C -0.162 176.682 176.870 -0.044 0.000 1.133 180 L CA -0.307 54.427 54.840 -0.176 0.000 0.880 180 L CB 0.074 42.030 42.059 -0.173 0.000 1.033 180 L HN 0.057 nan 8.230 nan 0.000 0.450 181 V N 0.232 120.136 119.914 -0.017 0.000 2.509 181 V HA 0.085 4.204 4.120 -0.000 0.000 0.284 181 V C 0.579 176.694 176.094 0.035 0.000 1.047 181 V CA -0.234 62.075 62.300 0.015 0.000 0.952 181 V CB 1.731 33.561 31.823 0.011 0.000 0.988 181 V HN 0.149 nan 8.190 nan 0.000 0.469 182 D N 2.914 123.340 120.400 0.045 0.000 2.338 182 D HA 0.238 4.878 4.640 -0.000 0.000 0.224 182 D C 0.313 176.642 176.300 0.049 0.000 0.967 182 D CA 1.123 55.154 54.000 0.052 0.000 0.896 182 D CB 0.893 41.722 40.800 0.048 0.000 1.028 182 D HN 0.398 nan 8.370 nan 0.000 0.493 183 I N 1.527 122.121 120.570 0.041 0.000 2.468 183 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 183 I C -0.811 175.330 176.117 0.040 0.000 1.039 183 I CA -0.585 60.740 61.300 0.042 0.000 1.074 183 I CB 2.954 40.974 38.000 0.033 0.000 1.228 183 I HN -0.195 nan 8.210 nan 0.000 0.436 184 I N 5.578 126.173 120.570 0.040 0.000 2.474 184 I HA 0.419 4.589 4.170 -0.000 0.000 0.294 184 I C 0.038 176.187 176.117 0.054 0.000 1.005 184 I CA -0.157 61.165 61.300 0.036 0.000 1.113 184 I CB 1.960 39.969 38.000 0.015 0.000 1.289 184 I HN 0.672 nan 8.210 nan 0.000 0.436 185 T N 3.666 118.260 114.554 0.066 0.000 3.427 185 T HA 0.522 4.872 4.350 -0.000 0.000 0.306 185 T C -2.696 172.040 174.700 0.059 0.000 1.733 185 T CA -1.749 60.407 62.100 0.093 0.000 1.599 185 T CB 0.196 69.160 68.868 0.160 0.000 0.964 185 T HN 0.230 nan 8.240 nan 0.000 0.701 186 P HA 0.312 nan 4.420 nan 0.000 0.276 186 P C -0.112 177.192 177.300 0.006 0.000 1.244 186 P CA -0.546 62.565 63.100 0.019 0.000 0.801 186 P CB 0.747 32.454 31.700 0.010 0.000 1.006 187 N N -0.083 118.616 118.700 -0.002 0.000 2.495 187 N HA 0.130 4.870 4.740 -0.000 0.000 0.294 187 N C 0.798 176.303 175.510 -0.009 0.000 1.276 187 N CA -0.324 52.716 53.050 -0.016 0.000 0.973 187 N CB -0.265 38.212 38.487 -0.016 0.000 1.143 187 N HN 0.310 nan 8.380 nan 0.000 0.589 188 E N -0.947 119.246 120.200 -0.012 0.000 2.077 188 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 188 E C 1.277 177.871 176.600 -0.011 0.000 0.989 188 E CA 1.970 58.363 56.400 -0.013 0.000 0.800 188 E CB -0.329 29.362 29.700 -0.015 0.000 0.746 188 E HN 0.648 nan 8.360 nan 0.000 0.452 189 T N 0.910 115.460 114.554 -0.007 0.000 2.788 189 T HA -0.137 4.212 4.350 -0.000 0.000 0.268 189 T C 1.548 176.245 174.700 -0.005 0.000 1.044 189 T CA 1.277 63.374 62.100 -0.004 0.000 1.139 189 T CB -0.152 68.716 68.868 0.000 0.000 0.867 189 T HN 0.216 nan 8.240 nan 0.000 0.454 190 E N 1.066 121.264 120.200 -0.003 0.000 2.107 190 E HA 0.063 4.412 4.350 -0.000 0.000 0.191 190 E C 2.565 179.162 176.600 -0.005 0.000 0.982 190 E CA 0.796 57.194 56.400 -0.002 0.000 0.809 190 E CB -0.199 29.502 29.700 0.003 0.000 0.756 190 E HN 0.452 nan 8.360 nan 0.000 0.459 191 A N 1.637 124.453 122.820 -0.007 0.000 1.877 191 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 191 A C 2.128 179.701 177.584 -0.017 0.000 1.186 191 A CA 1.782 53.812 52.037 -0.012 0.000 0.620 191 A CB -0.530 18.462 19.000 -0.014 0.000 0.822 191 A HN 0.283 nan 8.150 nan 0.000 0.443 192 E N -0.464 119.725 120.200 -0.018 0.000 2.110 192 E HA -0.269 4.080 4.350 -0.000 0.000 0.193 192 E C 1.956 178.547 176.600 -0.014 0.000 0.988 192 E CA 1.617 58.006 56.400 -0.019 0.000 0.804 192 E CB -0.075 29.614 29.700 -0.018 0.000 0.745 192 E HN 0.409 nan 8.360 nan 0.000 0.458 193 K N 0.468 120.862 120.400 -0.011 0.000 2.211 193 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 193 K C 1.884 178.479 176.600 -0.009 0.000 1.050 193 K CA 0.924 57.206 56.287 -0.008 0.000 0.945 193 K CB -0.069 32.428 32.500 -0.006 0.000 0.732 193 K HN 0.210 nan 8.250 nan 0.000 0.451 194 L N -0.467 120.750 121.223 -0.010 0.000 2.307 194 L HA 0.035 4.375 4.340 -0.000 0.000 0.211 194 L C 1.816 178.678 176.870 -0.013 0.000 1.099 194 L CA 1.352 56.185 54.840 -0.011 0.000 0.816 194 L CB -0.135 41.917 42.059 -0.012 0.000 0.952 194 L HN 0.329 nan 8.230 nan 0.000 0.455 195 T N -5.360 109.185 114.554 -0.016 0.000 2.985 195 T HA 0.267 4.617 4.350 -0.000 0.000 0.254 195 T C 1.432 176.123 174.700 -0.015 0.000 1.021 195 T CA 0.498 62.588 62.100 -0.017 0.000 0.957 195 T CB 0.950 69.805 68.868 -0.023 0.000 1.047 195 T HN 0.319 nan 8.240 nan 0.000 0.511 196 G N 1.620 110.411 108.800 -0.015 0.000 2.162 196 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 196 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 196 G C -0.034 174.855 174.900 -0.018 0.000 0.976 196 G CA 0.235 45.326 45.100 -0.014 0.000 0.655 196 G HN 0.663 nan 8.290 nan 0.000 0.533 197 I N 0.812 121.368 120.570 -0.023 0.000 2.339 197 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 197 I C 0.825 176.921 176.117 -0.035 0.000 0.994 197 I CA -0.944 60.338 61.300 -0.031 0.000 1.191 197 I CB 1.464 39.441 38.000 -0.038 0.000 1.343 197 I HN 0.138 nan 8.210 nan 0.000 0.458 198 R N 5.573 126.052 120.500 -0.034 0.000 2.491 198 R HA 0.378 4.718 4.340 -0.000 0.000 0.283 198 R C -1.146 175.125 176.300 -0.049 0.000 1.072 198 R CA -0.295 55.784 56.100 -0.034 0.000 1.048 198 R CB 0.919 31.202 30.300 -0.028 0.000 0.983 198 R HN 0.447 nan 8.270 nan 0.000 0.450 199 V N 5.801 125.686 119.914 -0.049 0.000 2.277 199 V HA 0.144 4.264 4.120 -0.000 0.000 0.269 199 V C 0.322 176.381 176.094 -0.058 0.000 1.036 199 V CA -0.163 62.097 62.300 -0.067 0.000 0.821 199 V CB 1.022 32.806 31.823 -0.064 0.000 1.052 199 V HN 0.959 nan 8.190 nan 0.000 0.462 200 E N 2.816 122.977 120.200 -0.065 0.000 2.330 200 E HA 0.106 4.455 4.350 -0.000 0.000 0.200 200 E C 0.305 176.869 176.600 -0.061 0.000 0.922 200 E CA 0.263 56.632 56.400 -0.051 0.000 0.935 200 E CB 0.618 30.293 29.700 -0.042 0.000 0.917 200 E HN 0.864 nan 8.360 nan 0.000 0.491 201 N N -0.668 117.978 118.700 -0.091 0.000 2.697 201 N HA 0.077 4.816 4.740 -0.000 0.000 0.272 201 N C -0.195 175.203 175.510 -0.186 0.000 1.381 201 N CA -0.551 52.438 53.050 -0.103 0.000 0.797 201 N CB 0.495 38.929 38.487 -0.088 0.000 1.523 201 N HN -0.372 nan 8.380 nan 0.000 0.518 202 D N -0.362 119.917 120.400 -0.201 0.000 2.221 202 D HA -0.182 4.457 4.640 -0.000 0.000 0.204 202 D C 1.075 176.984 176.300 -0.652 0.000 0.982 202 D CA 1.185 54.925 54.000 -0.434 0.000 0.857 202 D CB 0.077 40.739 40.800 -0.231 0.000 0.934 202 D HN 0.803 nan 8.370 nan 0.000 0.475 203 E N 0.440 120.424 120.200 -0.360 0.000 2.107 203 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 203 E C 1.120 177.544 176.600 -0.293 0.000 0.982 203 E CA 0.846 57.065 56.400 -0.302 0.000 0.809 203 E CB 0.244 29.849 29.700 -0.160 0.000 0.756 203 E HN 0.142 nan 8.360 nan 0.000 0.459 204 D N 0.531 120.781 120.400 -0.250 0.000 2.144 204 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 204 D C 1.855 178.001 176.300 -0.256 0.000 0.978 204 D CA 1.181 55.064 54.000 -0.195 0.000 0.833 204 D CB -0.223 40.494 40.800 -0.139 0.000 0.961 204 D HN 0.284 nan 8.370 nan 0.000 0.470 205 A N 1.514 124.091 122.820 -0.404 0.000 1.883 205 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 205 A C 2.390 179.652 177.584 -0.536 0.000 1.186 205 A CA 2.417 54.157 52.037 -0.495 0.000 0.624 205 A CB -0.797 17.763 19.000 -0.733 0.000 0.822 205 A HN 0.246 nan 8.150 nan 0.000 0.444 206 A N -0.405 121.962 122.820 -0.756 0.000 1.908 206 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 206 A C 2.155 179.702 177.584 -0.062 0.000 1.181 206 A CA 2.103 53.977 52.037 -0.271 0.000 0.627 206 A CB -0.454 18.419 19.000 -0.213 0.000 0.818 206 A HN 0.577 nan 8.150 nan 0.000 0.445 207 K N -0.477 119.852 120.400 -0.117 0.000 2.097 207 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 207 K C 2.101 178.679 176.600 -0.037 0.000 1.050 207 K CA 1.048 57.304 56.287 -0.051 0.000 0.938 207 K CB -0.279 32.181 32.500 -0.065 0.000 0.718 207 K HN 0.366 nan 8.250 nan 0.000 0.442 208 A N 1.017 123.797 122.820 -0.067 0.000 1.898 208 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 208 A C 2.295 179.855 177.584 -0.041 0.000 1.181 208 A CA 1.597 53.604 52.037 -0.050 0.000 0.620 208 A CB -0.670 18.294 19.000 -0.060 0.000 0.819 208 A HN 0.444 nan 8.150 nan 0.000 0.442 209 A N -0.827 121.980 122.820 -0.021 0.000 1.933 209 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 209 A C 2.140 179.651 177.584 -0.123 0.000 1.175 209 A CA 2.091 54.084 52.037 -0.073 0.000 0.628 209 A CB -0.508 18.574 19.000 0.137 0.000 0.814 209 A HN 0.528 nan 8.150 nan 0.000 0.444 210 Q N 0.069 119.924 119.800 0.092 0.000 2.096 210 Q HA -0.122 4.217 4.340 -0.000 0.000 0.204 210 Q C 1.848 177.901 176.000 0.089 0.000 0.982 210 Q CA 2.209 58.122 55.803 0.183 0.000 0.850 210 Q CB -0.687 28.131 28.738 0.133 0.000 0.901 210 Q HN 0.346 nan 8.270 nan 0.000 0.422 211 V N 0.401 120.329 119.914 0.023 0.000 2.287 211 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 211 V C 2.295 178.387 176.094 -0.004 0.000 1.053 211 V CA 1.909 64.214 62.300 0.009 0.000 1.027 211 V CB -0.607 31.211 31.823 -0.008 0.000 0.646 211 V HN 0.392 nan 8.190 nan 0.000 0.447 212 L N -1.165 120.022 121.223 -0.060 0.000 2.093 212 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 212 L C 2.656 179.495 176.870 -0.051 0.000 1.085 212 L CA 1.210 56.000 54.840 -0.083 0.000 0.755 212 L CB -0.865 41.108 42.059 -0.142 0.000 0.904 212 L HN 0.412 nan 8.230 nan 0.000 0.435 213 H N 0.245 119.338 119.070 0.039 0.000 2.353 213 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 213 H C 2.055 177.399 175.328 0.026 0.000 1.090 213 H CA 1.277 57.347 56.048 0.036 0.000 1.327 213 H CB 0.000 29.789 29.762 0.044 0.000 1.383 213 H HN 0.442 nan 8.280 nan 0.000 0.508 214 E N 0.532 120.818 120.200 0.143 0.000 2.268 214 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 214 E C 1.709 178.340 176.600 0.051 0.000 0.995 214 E CA 0.331 56.780 56.400 0.081 0.000 0.836 214 E CB 0.245 29.981 29.700 0.060 0.000 0.763 214 E HN 0.201 nan 8.360 nan 0.000 0.491 215 K N -0.610 119.814 120.400 0.040 0.000 2.486 215 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 215 K C 1.153 177.766 176.600 0.022 0.000 1.033 215 K CA 0.793 57.091 56.287 0.020 0.000 1.004 215 K CB 0.861 33.364 32.500 0.005 0.000 0.798 215 K HN 0.281 nan 8.250 nan 0.000 0.495 216 G N 1.280 110.108 108.800 0.045 0.000 2.168 216 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.197 216 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.197 216 G C 0.038 174.975 174.900 0.061 0.000 0.997 216 G CA -0.449 44.679 45.100 0.046 0.000 0.658 216 G HN 0.221 nan 8.290 nan 0.000 0.513 217 I N 1.255 121.870 120.570 0.076 0.000 2.297 217 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 217 I C 1.615 177.849 176.117 0.195 0.000 1.033 217 I CA -0.681 60.669 61.300 0.085 0.000 1.253 217 I CB 1.275 39.292 38.000 0.029 0.000 1.396 217 I HN 0.177 nan 8.210 nan 0.000 0.476 218 R N 3.557 124.154 120.500 0.163 0.000 2.075 218 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 218 R C 0.196 176.637 176.300 0.235 0.000 1.126 218 R CA 1.155 57.362 56.100 0.179 0.000 0.963 218 R CB 0.244 30.594 30.300 0.083 0.000 0.858 218 R HN 0.557 nan 8.270 nan 0.000 0.435 219 T N 1.290 115.942 114.554 0.163 0.000 2.772 219 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 219 T C -1.126 173.641 174.700 0.111 0.000 0.994 219 T CA -0.561 61.628 62.100 0.148 0.000 0.951 219 T CB 1.964 70.879 68.868 0.077 0.000 0.933 219 T HN -0.138 nan 8.240 nan 0.000 0.447 220 V N 5.685 125.670 119.914 0.118 0.000 2.384 220 V HA 0.497 4.617 4.120 -0.000 0.000 0.287 220 V C -0.377 175.764 176.094 0.078 0.000 1.020 220 V CA -0.815 61.502 62.300 0.028 0.000 0.850 220 V CB 1.380 33.116 31.823 -0.144 0.000 0.987 220 V HN 0.744 nan 8.190 nan 0.000 0.436 221 L N 6.370 127.644 121.223 0.086 0.000 2.345 221 L HA 0.588 4.928 4.340 -0.000 0.000 0.274 221 L C -0.632 176.296 176.870 0.097 0.000 0.999 221 L CA -0.295 54.611 54.840 0.109 0.000 0.849 221 L CB 1.671 43.827 42.059 0.162 0.000 1.220 221 L HN 0.491 nan 8.230 nan 0.000 0.422 222 I N 2.924 123.569 120.570 0.125 0.000 2.291 222 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 222 I C 0.750 176.892 176.117 0.040 0.000 1.050 222 I CA -0.369 60.985 61.300 0.090 0.000 1.245 222 I CB 1.498 39.577 38.000 0.131 0.000 1.405 222 I HN 0.581 nan 8.210 nan 0.000 0.478 223 T N 4.671 119.190 114.554 -0.059 0.000 2.870 223 T HA 0.338 4.688 4.350 -0.000 0.000 0.300 223 T C 0.417 175.080 174.700 -0.061 0.000 0.989 223 T CA -0.432 61.578 62.100 -0.149 0.000 1.139 223 T CB 0.947 69.644 68.868 -0.285 0.000 0.920 223 T HN 0.473 nan 8.240 nan 0.000 0.537 224 L N 2.833 124.032 121.223 -0.042 0.000 3.062 224 L HA 0.426 4.766 4.340 -0.000 0.000 0.255 224 L C 1.700 178.551 176.870 -0.031 0.000 1.274 224 L CA -0.389 54.441 54.840 -0.016 0.000 1.047 224 L CB -0.987 41.084 42.059 0.019 0.000 1.402 224 L HN 1.201 nan 8.230 nan 0.000 0.550 225 G N 1.627 110.397 108.800 -0.049 0.000 2.565 225 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.295 225 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.295 225 G C 0.954 175.826 174.900 -0.046 0.000 1.165 225 G CA 0.631 45.707 45.100 -0.040 0.000 0.977 225 G HN 0.470 nan 8.290 nan 0.000 0.546 226 S N 0.410 116.088 115.700 -0.036 0.000 2.561 226 S HA 0.106 4.575 4.470 -0.000 0.000 0.225 226 S C 1.819 176.379 174.600 -0.066 0.000 0.977 226 S CA 1.344 59.518 58.200 -0.044 0.000 0.926 226 S CB 0.015 63.202 63.200 -0.023 0.000 0.769 226 S HN 0.676 nan 8.310 nan 0.000 0.533 227 R N 1.195 121.664 120.500 -0.052 0.000 2.320 227 R HA 0.324 4.664 4.340 -0.000 0.000 0.211 227 R C 1.586 177.848 176.300 -0.062 0.000 0.931 227 R CA 0.348 56.420 56.100 -0.045 0.000 1.071 227 R CB -0.281 30.013 30.300 -0.011 0.000 1.025 227 R HN 0.577 nan 8.270 nan 0.000 0.495 228 G N 0.732 109.463 108.800 -0.116 0.000 2.596 228 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.258 228 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.258 228 G C -0.619 174.328 174.900 0.079 0.000 1.207 228 G CA -0.199 44.828 45.100 -0.123 0.000 0.954 228 G HN 0.263 nan 8.290 nan 0.000 0.551 229 V N 0.623 120.630 119.914 0.155 0.000 3.077 229 V HA 0.622 4.742 4.120 -0.000 0.000 0.299 229 V C -1.525 174.664 176.094 0.159 0.000 1.276 229 V CA -0.215 62.150 62.300 0.108 0.000 0.993 229 V CB 1.936 33.765 31.823 0.009 0.000 1.076 229 V HN 1.389 nan 8.190 nan 0.000 0.434 230 W N 7.317 128.625 121.300 0.014 0.000 2.367 230 W HA 0.719 5.379 4.660 -0.000 0.000 0.329 230 W C -0.214 176.332 176.519 0.044 0.000 1.066 230 W CA -0.238 57.124 57.345 0.027 0.000 1.435 230 W CB 1.087 30.554 29.460 0.013 0.000 1.296 230 W HN 0.908 nan 8.180 nan 0.000 0.401 231 A N 4.437 126.992 122.820 -0.442 0.000 2.289 231 A HA 0.483 4.802 4.320 -0.000 0.000 0.298 231 A C -0.536 176.796 177.584 -0.420 0.000 1.208 231 A CA -0.221 51.643 52.037 -0.288 0.000 0.845 231 A CB 1.102 19.999 19.000 -0.172 0.000 1.125 231 A HN 0.465 nan 8.150 nan 0.000 0.517 232 S N 1.976 117.603 115.700 -0.121 0.000 2.614 232 S HA 0.547 5.017 4.470 -0.000 0.000 0.288 232 S C -1.257 173.452 174.600 0.182 0.000 1.137 232 S CA -0.421 57.804 58.200 0.042 0.000 0.992 232 S CB 1.122 64.516 63.200 0.324 0.000 1.026 232 S HN 0.791 nan 8.310 nan 0.000 0.486 233 V N 6.134 126.079 119.914 0.051 0.000 2.326 233 V HA 0.467 4.587 4.120 -0.000 0.000 0.281 233 V C 0.005 175.983 176.094 -0.193 0.000 1.015 233 V CA -0.851 61.451 62.300 0.004 0.000 0.823 233 V CB 0.855 32.666 31.823 -0.019 0.000 1.009 233 V HN 1.029 nan 8.190 nan 0.000 0.436 234 N N 4.620 123.022 118.700 -0.496 0.000 2.699 234 N HA -0.235 4.505 4.740 -0.000 0.000 0.256 234 N C 1.243 176.408 175.510 -0.575 0.000 0.993 234 N CA 1.493 54.120 53.050 -0.705 0.000 0.759 234 N CB -0.793 37.546 38.487 -0.247 0.000 0.906 234 N HN 1.390 nan 8.380 nan 0.000 0.541 235 G N -0.806 107.573 108.800 -0.702 0.000 2.284 235 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.230 235 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.230 235 G C -0.187 174.723 174.900 0.016 0.000 1.021 235 G CA 0.329 45.350 45.100 -0.132 0.000 0.619 235 G HN 0.511 nan 8.290 nan 0.000 0.510 236 E N 1.135 121.314 120.200 -0.035 0.000 2.046 236 E HA 0.535 4.885 4.350 -0.000 0.000 0.279 236 E C 0.463 177.046 176.600 -0.028 0.000 0.989 236 E CA 0.206 56.604 56.400 -0.003 0.000 0.798 236 E CB 1.243 30.923 29.700 -0.033 0.000 1.086 236 E HN 0.581 nan 8.360 nan 0.000 0.399 237 G N 2.428 111.211 108.800 -0.029 0.000 2.725 237 G HA2 0.555 4.515 3.960 -0.000 0.000 0.288 237 G HA3 0.555 4.515 3.960 -0.000 0.000 0.288 237 G C -1.436 173.032 174.900 -0.720 0.000 1.399 237 G CA -0.606 44.285 45.100 -0.348 0.000 0.859 237 G HN 0.454 nan 8.290 nan 0.000 0.479 238 Q N -1.105 117.944 119.800 -1.252 0.000 2.633 238 Q HA 0.528 4.867 4.340 -0.000 0.000 0.289 238 Q C -1.201 174.225 176.000 -0.957 0.000 0.940 238 Q CA -1.090 54.044 55.803 -1.117 0.000 0.785 238 Q CB 1.908 30.422 28.738 -0.375 0.000 1.467 238 Q HN 0.576 nan 8.270 nan 0.000 0.401 239 R N 1.077 121.397 120.500 -0.301 0.000 2.298 239 R HA 0.458 4.798 4.340 -0.000 0.000 0.310 239 R C -1.220 175.078 176.300 -0.003 0.000 1.068 239 R CA -0.287 55.838 56.100 0.042 0.000 0.957 239 R CB 1.077 31.560 30.300 0.304 0.000 1.003 239 R HN 0.500 nan 8.270 nan 0.000 0.454 240 V N 8.305 128.238 119.914 0.031 0.000 2.318 240 V HA 0.285 4.405 4.120 -0.000 0.000 0.271 240 V C -2.075 174.076 176.094 0.095 0.000 1.030 240 V CA -2.130 60.214 62.300 0.072 0.000 0.844 240 V CB 1.243 33.140 31.823 0.122 0.000 1.015 240 V HN 0.840 nan 8.190 nan 0.000 0.460 241 P HA 0.205 nan 4.420 nan 0.000 0.269 241 P C 0.497 177.497 177.300 -0.500 0.000 1.209 241 P CA 0.391 63.377 63.100 -0.190 0.000 0.776 241 P CB 0.754 32.365 31.700 -0.150 0.000 0.876 242 G N 1.024 109.407 108.800 -0.695 0.000 2.543 242 G HA2 0.514 4.474 3.960 -0.000 0.000 0.267 242 G HA3 0.514 4.474 3.960 -0.000 0.000 0.267 242 G C -1.061 173.459 174.900 -0.633 0.000 1.406 242 G CA -0.518 43.977 45.100 -1.007 0.000 1.048 242 G HN 0.317 nan 8.290 nan 0.000 0.548 243 F N -0.684 119.216 119.950 -0.083 0.000 2.432 243 F HA 0.531 5.058 4.527 -0.001 0.000 0.329 243 F C 0.946 176.773 175.800 0.044 0.000 1.076 243 F CA -0.668 57.369 58.000 0.062 0.000 1.018 243 F CB 1.677 40.837 39.000 0.268 0.000 1.201 243 F HN 0.053 nan 8.300 nan 0.000 0.489 244 R N 1.676 122.323 120.500 0.245 0.000 2.308 244 R HA 0.675 5.014 4.340 -0.000 0.000 0.305 244 R C -1.025 175.373 176.300 0.163 0.000 1.053 244 R CA -0.588 55.597 56.100 0.142 0.000 0.957 244 R CB 1.266 31.620 30.300 0.091 0.000 1.022 244 R HN 0.583 nan 8.270 nan 0.000 0.461 245 V N -0.310 119.670 119.914 0.110 0.000 3.216 245 V HA 0.338 4.458 4.120 -0.000 0.000 0.302 245 V C -1.383 174.743 176.094 0.053 0.000 1.286 245 V CA -1.268 61.090 62.300 0.095 0.000 1.048 245 V CB 2.114 33.996 31.823 0.098 0.000 1.081 245 V HN 0.571 nan 8.190 nan 0.000 0.442 246 Q N 1.894 121.719 119.800 0.041 0.000 2.337 246 Q HA 0.743 5.083 4.340 -0.000 0.000 0.255 246 Q C -0.000 176.008 176.000 0.014 0.000 0.997 246 Q CA 0.588 56.405 55.803 0.023 0.000 0.925 246 Q CB 0.779 29.528 28.738 0.019 0.000 1.212 246 Q HN 1.508 nan 8.270 nan 0.000 0.436 247 A N 3.319 126.144 122.820 0.009 0.000 2.371 247 A HA 0.446 4.766 4.320 -0.000 0.000 0.257 247 A C 0.645 178.225 177.584 -0.006 0.000 1.089 247 A CA 0.131 52.169 52.037 0.002 0.000 0.794 247 A CB 0.530 19.532 19.000 0.004 0.000 1.029 247 A HN 1.073 nan 8.150 nan 0.000 0.488 248 V N -1.885 118.022 119.914 -0.012 0.000 3.251 248 V HA 0.364 4.484 4.120 -0.000 0.000 0.239 248 V C -0.012 176.070 176.094 -0.020 0.000 1.332 248 V CA 0.911 63.197 62.300 -0.023 0.000 1.224 248 V CB 0.417 32.220 31.823 -0.034 0.000 1.004 248 V HN 0.742 nan 8.190 nan 0.000 0.464 249 D N 1.100 121.492 120.400 -0.013 0.000 2.764 249 D HA 0.300 4.940 4.640 -0.000 0.000 0.227 249 D C 0.294 176.594 176.300 0.000 0.000 1.347 249 D CA 0.687 54.684 54.000 -0.004 0.000 0.953 249 D CB 1.957 42.749 40.800 -0.013 0.000 1.476 249 D HN 0.387 nan 8.370 nan 0.000 0.585 250 T N 1.011 115.572 114.554 0.011 0.000 3.206 250 T HA 0.322 4.672 4.350 -0.000 0.000 0.253 250 T C 1.298 176.008 174.700 0.016 0.000 1.042 250 T CA -0.309 61.798 62.100 0.012 0.000 0.931 250 T CB -0.457 68.420 68.868 0.015 0.000 1.029 250 T HN 0.345 nan 8.240 nan 0.000 0.564 251 I N 1.716 122.296 120.570 0.017 0.000 2.648 251 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 251 I C 1.346 177.468 176.117 0.009 0.000 1.153 251 I CA 0.404 61.716 61.300 0.019 0.000 1.426 251 I CB 0.417 38.428 38.000 0.019 0.000 1.381 251 I HN 0.436 nan 8.210 nan 0.000 0.571 252 A N 4.210 127.037 122.820 0.011 0.000 3.021 252 A HA -0.259 4.061 4.320 -0.000 0.000 0.257 252 A C 1.727 179.318 177.584 0.012 0.000 1.277 252 A CA 0.991 53.032 52.037 0.006 0.000 1.012 252 A CB -1.958 17.036 19.000 -0.009 0.000 1.147 252 A HN 1.015 nan 8.150 nan 0.000 0.861 253 A N -0.469 122.362 122.820 0.018 0.000 1.858 253 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 253 A C 2.700 180.325 177.584 0.068 0.000 1.190 253 A CA 2.189 54.245 52.037 0.031 0.000 0.617 253 A CB -1.333 17.679 19.000 0.021 0.000 0.827 253 A HN 1.965 nan 8.150 nan 0.000 0.443 254 G N -0.297 108.536 108.800 0.055 0.000 2.422 254 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 254 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 254 G C 1.130 176.107 174.900 0.128 0.000 1.146 254 G CA 1.206 46.359 45.100 0.088 0.000 0.769 254 G HN 0.483 nan 8.290 nan 0.000 0.547 255 D N 0.372 120.811 120.400 0.066 0.000 2.117 255 D HA -0.080 4.559 4.640 -0.000 0.000 0.197 255 D C 2.652 178.966 176.300 0.023 0.000 0.987 255 D CA 1.472 55.493 54.000 0.035 0.000 0.829 255 D CB -0.511 40.289 40.800 0.000 0.000 0.961 255 D HN 0.227 nan 8.370 nan 0.000 0.460 256 T N 0.679 115.248 114.554 0.025 0.000 2.777 256 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 256 T C 1.689 176.403 174.700 0.023 0.000 1.040 256 T CA 0.476 62.569 62.100 -0.012 0.000 1.141 256 T CB -0.414 68.438 68.868 -0.028 0.000 0.868 256 T HN 0.102 nan 8.240 nan 0.000 0.444 257 F N 2.701 122.628 119.950 -0.038 0.000 2.095 257 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 257 F C 1.898 177.685 175.800 -0.021 0.000 1.104 257 F CA 1.383 59.367 58.000 -0.025 0.000 1.232 257 F CB -0.526 38.471 39.000 -0.004 0.000 0.987 257 F HN 0.084 nan 8.300 nan 0.000 0.475 258 N N 0.061 118.794 118.700 0.056 0.000 2.084 258 N HA -0.082 4.658 4.740 -0.000 0.000 0.190 258 N C 2.122 177.569 175.510 -0.104 0.000 1.030 258 N CA 1.554 54.581 53.050 -0.038 0.000 0.849 258 N CB -1.021 37.497 38.487 0.051 0.000 1.012 258 N HN 0.418 nan 8.380 nan 0.000 0.423 259 G N 0.114 108.866 108.800 -0.080 0.000 2.418 259 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 259 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 259 G C 1.534 176.389 174.900 -0.074 0.000 1.158 259 G CA 0.983 46.029 45.100 -0.089 0.000 0.771 259 G HN 0.423 nan 8.290 nan 0.000 0.545 260 A N 0.223 122.995 122.820 -0.080 0.000 1.930 260 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 260 A C 2.328 179.943 177.584 0.051 0.000 1.175 260 A CA 1.567 53.624 52.037 0.033 0.000 0.627 260 A CB -0.380 18.567 19.000 -0.088 0.000 0.815 260 A HN 0.425 nan 8.150 nan 0.000 0.443 261 L N 0.151 121.254 121.223 -0.201 0.000 1.989 261 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 261 L C 2.072 178.858 176.870 -0.140 0.000 1.071 261 L CA 1.902 56.582 54.840 -0.267 0.000 0.749 261 L CB -0.432 41.324 42.059 -0.506 0.000 0.890 261 L HN 0.337 nan 8.230 nan 0.000 0.431 262 I N -0.623 119.877 120.570 -0.117 0.000 2.361 262 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 262 I C 2.371 178.440 176.117 -0.080 0.000 1.133 262 I CA 1.482 62.733 61.300 -0.083 0.000 1.413 262 I CB -2.099 35.864 38.000 -0.062 0.000 1.073 262 I HN 0.321 nan 8.210 nan 0.000 0.424 263 T N 1.423 115.937 114.554 -0.067 0.000 2.708 263 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 263 T C 2.111 176.701 174.700 -0.184 0.000 1.037 263 T CA 1.622 63.672 62.100 -0.084 0.000 1.146 263 T CB -0.250 68.610 68.868 -0.013 0.000 0.865 263 T HN 0.457 nan 8.240 nan 0.000 0.435 264 A N 1.264 123.937 122.820 -0.245 0.000 1.877 264 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 264 A C 2.320 179.780 177.584 -0.207 0.000 1.186 264 A CA 1.267 53.084 52.037 -0.366 0.000 0.620 264 A CB -0.909 17.905 19.000 -0.310 0.000 0.822 264 A HN 0.470 nan 8.150 nan 0.000 0.443 265 L N -0.627 120.513 121.223 -0.138 0.000 2.046 265 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 265 L C 2.419 179.237 176.870 -0.088 0.000 1.077 265 L CA 1.055 55.837 54.840 -0.097 0.000 0.747 265 L CB -0.530 41.484 42.059 -0.074 0.000 0.896 265 L HN 0.365 nan 8.230 nan 0.000 0.432 266 L N -0.517 120.653 121.223 -0.089 0.000 2.362 266 L HA -0.152 4.187 4.340 -0.000 0.000 0.219 266 L C 1.720 178.541 176.870 -0.081 0.000 1.134 266 L CA 0.860 55.657 54.840 -0.072 0.000 0.807 266 L CB -0.349 41.673 42.059 -0.062 0.000 0.927 266 L HN 0.322 nan 8.230 nan 0.000 0.447 267 E N 0.054 120.186 120.200 -0.113 0.000 2.437 267 E HA -0.025 4.325 4.350 -0.000 0.000 0.189 267 E C -0.095 176.448 176.600 -0.096 0.000 1.054 267 E CA -0.126 56.206 56.400 -0.114 0.000 0.874 267 E CB 0.251 29.851 29.700 -0.168 0.000 1.011 267 E HN 0.310 nan 8.360 nan 0.000 0.474 268 E N 0.523 120.673 120.200 -0.083 0.000 3.070 268 E HA -0.208 4.142 4.350 -0.000 0.000 0.285 268 E C -0.653 175.907 176.600 -0.067 0.000 0.972 268 E CA 0.506 56.867 56.400 -0.065 0.000 0.915 268 E CB -0.873 28.797 29.700 -0.050 0.000 1.466 268 E HN 0.211 nan 8.360 nan 0.000 0.432 269 K N 1.586 121.933 120.400 -0.089 0.000 2.276 269 K HA 0.209 4.529 4.320 -0.000 0.000 0.283 269 K C -2.035 174.531 176.600 -0.057 0.000 1.044 269 K CA -1.451 54.789 56.287 -0.078 0.000 0.944 269 K CB 0.576 33.008 32.500 -0.114 0.000 1.012 269 K HN -0.024 nan 8.250 nan 0.000 0.472 270 P HA -0.126 nan 4.420 nan 0.000 0.267 270 P C 0.748 178.031 177.300 -0.027 0.000 1.201 270 P CA -0.248 62.835 63.100 -0.028 0.000 0.775 270 P CB 0.613 32.301 31.700 -0.019 0.000 0.854 271 L N 4.614 125.821 121.223 -0.027 0.000 1.997 271 L HA -0.162 4.178 4.340 -0.000 0.000 0.216 271 L C -0.581 176.279 176.870 -0.017 0.000 1.074 271 L CA 2.816 57.640 54.840 -0.027 0.000 0.763 271 L CB -2.343 39.701 42.059 -0.025 0.000 0.890 271 L HN 0.399 nan 8.230 nan 0.000 0.434 272 P HA -0.246 nan 4.420 nan 0.000 0.215 272 P C 1.459 178.779 177.300 0.034 0.000 1.157 272 P CA 1.870 64.973 63.100 0.005 0.000 0.868 272 P CB -0.078 31.621 31.700 -0.002 0.000 0.788 273 E N 0.096 120.315 120.200 0.032 0.000 2.077 273 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 273 E C 2.164 178.811 176.600 0.079 0.000 0.989 273 E CA 1.167 57.604 56.400 0.062 0.000 0.800 273 E CB -0.447 29.273 29.700 0.033 0.000 0.746 273 E HN 0.086 nan 8.360 nan 0.000 0.452 274 A N 1.106 123.938 122.820 0.020 0.000 1.908 274 A HA -0.177 4.142 4.320 -0.000 0.000 0.218 274 A C 2.138 179.731 177.584 0.015 0.000 1.181 274 A CA 1.307 53.345 52.037 0.001 0.000 0.627 274 A CB -0.611 18.351 19.000 -0.063 0.000 0.818 274 A HN 0.328 nan 8.150 nan 0.000 0.445 275 I N -1.257 119.302 120.570 -0.017 0.000 2.394 275 I HA -0.220 3.949 4.170 -0.000 0.000 0.251 275 I C 2.693 178.806 176.117 -0.006 0.000 1.136 275 I CA 1.457 62.710 61.300 -0.077 0.000 1.425 275 I CB -0.323 37.660 38.000 -0.028 0.000 1.079 275 I HN 0.385 nan 8.210 nan 0.000 0.425 276 R N 0.821 121.413 120.500 0.153 0.000 2.073 276 R HA -0.222 4.118 4.340 -0.000 0.000 0.234 276 R C 2.449 178.993 176.300 0.408 0.000 1.134 276 R CA 1.699 57.995 56.100 0.327 0.000 0.952 276 R CB -0.397 30.081 30.300 0.297 0.000 0.850 276 R HN 0.210 nan 8.270 nan 0.000 0.433 277 F N 1.123 121.155 119.950 0.136 0.000 2.095 277 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 277 F C 2.110 177.941 175.800 0.051 0.000 1.104 277 F CA 1.722 59.774 58.000 0.087 0.000 1.232 277 F CB -0.497 38.506 39.000 0.005 0.000 0.987 277 F HN 0.136 nan 8.300 nan 0.000 0.475 278 A N -0.517 122.340 122.820 0.061 0.000 1.902 278 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 278 A C 2.123 179.774 177.584 0.112 0.000 1.181 278 A CA 1.823 53.767 52.037 -0.154 0.000 0.623 278 A CB -1.231 17.347 19.000 -0.704 0.000 0.818 278 A HN 0.568 nan 8.150 nan 0.000 0.443 279 H N -0.171 119.084 119.070 0.309 0.000 2.387 279 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 279 H C 2.549 178.063 175.328 0.311 0.000 1.090 279 H CA 1.330 57.610 56.048 0.386 0.000 1.332 279 H CB -0.652 29.324 29.762 0.357 0.000 1.386 279 H HN 0.514 nan 8.280 nan 0.000 0.516 280 A N 1.043 124.071 122.820 0.346 0.000 1.877 280 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 280 A C 2.728 180.034 177.584 -0.463 0.000 1.186 280 A CA 2.001 53.887 52.037 -0.251 0.000 0.620 280 A CB -0.948 17.931 19.000 -0.202 0.000 0.822 280 A HN 0.440 nan 8.150 nan 0.000 0.443 281 A N -0.219 122.388 122.820 -0.354 0.000 1.902 281 A HA 0.141 4.460 4.320 -0.000 0.000 0.217 281 A C 2.513 179.973 177.584 -0.207 0.000 1.181 281 A CA 2.234 54.068 52.037 -0.339 0.000 0.623 281 A CB -1.033 17.751 19.000 -0.359 0.000 0.818 281 A HN 1.082 nan 8.150 nan 0.000 0.443 282 A N -0.195 122.587 122.820 -0.064 0.000 1.898 282 A HA 0.186 4.505 4.320 -0.000 0.000 0.216 282 A C 2.515 180.074 177.584 -0.042 0.000 1.181 282 A CA 2.037 54.085 52.037 0.019 0.000 0.620 282 A CB -1.043 18.073 19.000 0.193 0.000 0.819 282 A HN 1.061 nan 8.150 nan 0.000 0.442 283 A N 0.188 122.959 122.820 -0.082 0.000 1.883 283 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 283 A C 2.125 179.573 177.584 -0.227 0.000 1.186 283 A CA 1.659 53.618 52.037 -0.131 0.000 0.624 283 A CB -0.685 18.207 19.000 -0.179 0.000 0.822 283 A HN 0.511 nan 8.150 nan 0.000 0.444 284 I N -0.267 120.071 120.570 -0.388 0.000 2.226 284 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 284 I C 2.982 179.010 176.117 -0.149 0.000 1.100 284 I CA 1.074 62.198 61.300 -0.293 0.000 1.374 284 I CB -0.433 37.370 38.000 -0.328 0.000 1.057 284 I HN 0.371 nan 8.210 nan 0.000 0.413 285 A N 0.827 123.568 122.820 -0.132 0.000 1.908 285 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 285 A C 2.349 179.902 177.584 -0.052 0.000 1.181 285 A CA 2.136 54.124 52.037 -0.080 0.000 0.627 285 A CB -1.120 17.839 19.000 -0.068 0.000 0.818 285 A HN 0.413 nan 8.150 nan 0.000 0.445 286 V N -1.926 117.960 119.914 -0.046 0.000 3.141 286 V HA -0.057 4.063 4.120 -0.000 0.000 0.265 286 V C 1.798 177.878 176.094 -0.023 0.000 1.126 286 V CA 2.033 64.318 62.300 -0.025 0.000 1.141 286 V CB -1.613 30.203 31.823 -0.011 0.000 0.743 286 V HN 0.685 nan 8.190 nan 0.000 0.492 287 T N -2.025 112.509 114.554 -0.033 0.000 3.163 287 T HA 0.381 4.731 4.350 -0.000 0.000 0.252 287 T C 0.611 175.297 174.700 -0.023 0.000 1.056 287 T CA -0.312 61.776 62.100 -0.022 0.000 0.947 287 T CB -0.121 68.738 68.868 -0.015 0.000 1.016 287 T HN 0.614 nan 8.240 nan 0.000 0.554 288 R N 0.101 120.584 120.500 -0.028 0.000 2.888 288 R HA 0.654 4.994 4.340 -0.000 0.000 0.264 288 R C -0.873 175.409 176.300 -0.030 0.000 1.045 288 R CA -1.044 55.040 56.100 -0.027 0.000 0.962 288 R CB 1.780 32.066 30.300 -0.024 0.000 1.210 288 R HN 0.108 nan 8.270 nan 0.000 0.479 289 K N 0.462 120.841 120.400 -0.034 0.000 2.123 289 K HA 0.584 4.904 4.320 -0.000 0.000 0.259 289 K C -0.129 176.447 176.600 -0.040 0.000 0.960 289 K CA -0.286 55.978 56.287 -0.038 0.000 0.872 289 K CB 1.834 34.304 32.500 -0.050 0.000 1.079 289 K HN 0.812 nan 8.250 nan 0.000 0.440 290 G N 0.416 109.193 108.800 -0.039 0.000 2.746 290 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.685 290 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.685 290 G C 0.279 175.161 174.900 -0.031 0.000 1.350 290 G CA -0.346 44.727 45.100 -0.046 0.000 0.837 290 G HN 0.644 nan 8.290 nan 0.000 0.564 291 A N -0.137 122.669 122.820 -0.023 0.000 1.838 291 A HA 0.189 4.508 4.320 -0.000 0.000 0.215 291 A C 2.253 179.826 177.584 -0.019 0.000 1.273 291 A CA 2.211 54.240 52.037 -0.013 0.000 0.602 291 A CB -0.712 18.291 19.000 0.005 0.000 0.934 291 A HN 0.903 nan 8.150 nan 0.000 0.461 292 Q N -0.468 119.332 119.800 0.001 0.000 2.167 292 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 292 Q C -0.672 175.319 176.000 -0.015 0.000 0.970 292 Q CA 1.668 57.468 55.803 -0.005 0.000 0.855 292 Q CB -0.886 27.889 28.738 0.062 0.000 0.911 292 Q HN 0.506 nan 8.270 nan 0.000 0.438 293 P HA -0.133 nan 4.420 nan 0.000 0.220 293 P C 1.042 178.338 177.300 -0.008 0.000 1.148 293 P CA 1.516 64.613 63.100 -0.004 0.000 0.803 293 P CB 0.052 31.734 31.700 -0.030 0.000 0.782 294 S N -2.043 113.640 115.700 -0.028 0.000 2.593 294 S HA 0.048 4.518 4.470 -0.000 0.000 0.217 294 S C 0.722 175.286 174.600 -0.060 0.000 0.966 294 S CA -0.174 58.006 58.200 -0.034 0.000 0.914 294 S CB -1.010 62.168 63.200 -0.036 0.000 0.776 294 S HN -0.159 nan 8.310 nan 0.000 0.523 295 V N 5.575 125.436 119.914 -0.089 0.000 2.446 295 V HA 0.272 4.391 4.120 -0.000 0.000 0.276 295 V C -1.706 174.268 176.094 -0.200 0.000 1.030 295 V CA -1.747 60.459 62.300 -0.156 0.000 1.033 295 V CB 0.231 31.931 31.823 -0.205 0.000 0.993 295 V HN 0.388 nan 8.190 nan 0.000 0.477 296 P HA 0.142 nan 4.420 nan 0.000 0.274 296 P C -0.909 176.281 177.300 -0.183 0.000 1.237 296 P CA -0.505 62.531 63.100 -0.106 0.000 0.793 296 P CB 0.910 32.542 31.700 -0.113 0.000 0.977 297 W N 0.935 122.208 121.300 -0.046 0.000 2.415 297 W HA 0.377 5.037 4.660 -0.001 0.000 0.355 297 W C 2.022 178.534 176.519 -0.012 0.000 1.161 297 W CA -0.401 56.932 57.345 -0.020 0.000 1.315 297 W CB 0.098 29.554 29.460 -0.007 0.000 1.261 297 W HN 0.357 nan 8.180 nan 0.000 0.636 298 R N 0.946 121.612 120.500 0.278 0.000 2.096 298 R HA -0.219 4.120 4.340 -0.000 0.000 0.240 298 R C 1.553 177.963 176.300 0.183 0.000 1.139 298 R CA 2.342 58.574 56.100 0.221 0.000 0.952 298 R CB -0.554 29.886 30.300 0.233 0.000 0.854 298 R HN 0.656 nan 8.270 nan 0.000 0.436 299 E N 0.052 120.359 120.200 0.179 0.000 2.070 299 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 299 E C 1.989 178.651 176.600 0.103 0.000 1.004 299 E CA 1.810 58.280 56.400 0.116 0.000 0.805 299 E CB -0.161 29.584 29.700 0.075 0.000 0.744 299 E HN 0.560 nan 8.360 nan 0.000 0.451 300 E N 0.504 120.776 120.200 0.120 0.000 2.077 300 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 300 E C 2.217 178.855 176.600 0.063 0.000 0.989 300 E CA 0.852 57.306 56.400 0.090 0.000 0.800 300 E CB -0.119 29.642 29.700 0.102 0.000 0.746 300 E HN 0.300 nan 8.360 nan 0.000 0.452 301 I N 1.734 122.313 120.570 0.015 0.000 2.142 301 I HA -0.267 3.902 4.170 -0.000 0.000 0.240 301 I C 1.942 178.081 176.117 0.036 0.000 1.078 301 I CA 1.098 62.347 61.300 -0.085 0.000 1.343 301 I CB -0.341 37.481 38.000 -0.296 0.000 1.046 301 I HN 0.023 nan 8.210 nan 0.000 0.405 302 D N 1.213 121.678 120.400 0.108 0.000 2.144 302 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 302 D C 2.256 178.610 176.300 0.091 0.000 0.984 302 D CA 1.598 55.679 54.000 0.136 0.000 0.834 302 D CB -0.170 40.715 40.800 0.142 0.000 0.955 302 D HN 0.371 nan 8.370 nan 0.000 0.465 303 A N 0.838 123.706 122.820 0.081 0.000 1.865 303 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 303 A C 2.143 179.750 177.584 0.038 0.000 1.191 303 A CA 1.193 53.262 52.037 0.053 0.000 0.623 303 A CB -1.153 17.880 19.000 0.056 0.000 0.826 303 A HN 0.241 nan 8.150 nan 0.000 0.444 304 F N 0.538 120.436 119.950 -0.087 0.000 2.126 304 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 304 F C 1.954 177.644 175.800 -0.183 0.000 1.096 304 F CA 1.904 59.812 58.000 -0.154 0.000 1.255 304 F CB -0.222 38.647 39.000 -0.218 0.000 0.997 304 F HN 0.151 nan 8.300 nan 0.000 0.479 305 L N -0.297 120.943 121.223 0.028 0.000 2.083 305 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 305 L C 2.023 178.859 176.870 -0.058 0.000 1.083 305 L CA 1.364 56.192 54.840 -0.019 0.000 0.752 305 L CB -0.756 41.371 42.059 0.113 0.000 0.899 305 L HN 0.074 nan 8.230 nan 0.000 0.433 306 D N 0.028 120.407 120.400 -0.036 0.000 2.224 306 D HA -0.094 4.545 4.640 -0.000 0.000 0.205 306 D C 1.962 178.214 176.300 -0.080 0.000 0.965 306 D CA 0.895 54.875 54.000 -0.033 0.000 0.852 306 D CB -0.005 40.790 40.800 -0.007 0.000 0.947 306 D HN 0.272 nan 8.370 nan 0.000 0.494 307 R N 0.066 120.475 120.500 -0.151 0.000 2.319 307 R HA 0.109 4.449 4.340 -0.000 0.000 0.204 307 R C 0.683 176.844 176.300 -0.231 0.000 0.954 307 R CA 0.087 56.080 56.100 -0.178 0.000 1.066 307 R CB 0.279 30.456 30.300 -0.205 0.000 0.991 307 R HN 0.087 nan 8.270 nan 0.000 0.486 308 Q N 0.000 119.666 119.800 -0.223 0.000 2.315 308 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 308 Q CA 0.000 55.700 55.803 -0.171 0.000 1.022 308 Q CB 0.000 28.619 28.738 -0.199 0.000 1.108 308 Q HN 0.000 nan 8.270 nan 0.000 0.481