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 1gqt_1_C 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 FLDRQR 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 0.000 177.572 177.584 -0.020 0.000 1.274 4 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 4 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 5 G N 1.378 110.164 108.800 -0.023 0.000 2.760 5 G HA2 0.397 4.357 3.960 -0.000 0.000 0.236 5 G HA3 0.397 4.357 3.960 -0.000 0.000 0.236 5 G C 0.451 175.343 174.900 -0.014 0.000 1.243 5 G CA 0.784 45.873 45.100 -0.018 0.000 0.850 5 G HN 1.529 nan 8.290 nan 0.000 0.595 6 S N -0.360 115.335 115.700 -0.008 0.000 2.554 6 S HA 0.546 5.016 4.470 -0.000 0.000 0.278 6 S C -0.433 174.166 174.600 -0.002 0.000 1.242 6 S CA -0.855 57.343 58.200 -0.003 0.000 1.051 6 S CB 1.783 64.984 63.200 0.002 0.000 0.986 6 S HN 0.709 nan 8.310 nan 0.000 0.502 7 L N 3.244 124.467 121.223 -0.000 0.000 2.317 7 L HA 0.738 5.078 4.340 -0.000 0.000 0.281 7 L C -1.094 175.786 176.870 0.017 0.000 1.024 7 L CA -0.586 54.255 54.840 0.002 0.000 0.810 7 L CB 1.752 43.805 42.059 -0.010 0.000 1.240 7 L HN 0.657 nan 8.230 nan 0.000 0.427 8 V N 5.509 125.438 119.914 0.025 0.000 2.487 8 V HA 0.530 4.650 4.120 -0.000 0.000 0.298 8 V C -0.513 175.617 176.094 0.061 0.000 1.028 8 V CA -0.673 61.656 62.300 0.048 0.000 0.860 8 V CB 1.901 33.750 31.823 0.043 0.000 0.991 8 V HN 0.549 nan 8.190 nan 0.000 0.427 9 V N 6.286 126.263 119.914 0.104 0.000 2.435 9 V HA 0.549 4.669 4.120 -0.000 0.000 0.290 9 V C -0.323 175.927 176.094 0.260 0.000 1.030 9 V CA -0.581 61.795 62.300 0.127 0.000 0.881 9 V CB 1.796 33.638 31.823 0.032 0.000 0.983 9 V HN 0.714 nan 8.190 nan 0.000 0.445 10 L N 4.320 125.658 121.223 0.191 0.000 2.362 10 L HA 0.999 5.339 4.340 -0.000 0.000 0.275 10 L C 0.104 177.088 176.870 0.190 0.000 0.998 10 L CA 0.399 55.337 54.840 0.164 0.000 0.820 10 L CB 1.603 43.705 42.059 0.072 0.000 1.270 10 L HN 0.875 nan 8.230 nan 0.000 0.415 11 G N 1.654 110.587 108.800 0.222 0.000 2.323 11 G HA2 0.266 4.226 3.960 -0.000 0.000 0.291 11 G HA3 0.266 4.226 3.960 -0.000 0.000 0.291 11 G C -1.453 173.556 174.900 0.182 0.000 1.278 11 G CA -0.118 45.094 45.100 0.186 0.000 0.860 11 G HN 0.781 nan 8.290 nan 0.000 0.504 12 S N -1.158 114.632 115.700 0.150 0.000 2.652 12 S HA 0.807 5.277 4.470 -0.000 0.000 0.270 12 S C -0.184 174.522 174.600 0.178 0.000 1.243 12 S CA -0.497 57.766 58.200 0.105 0.000 0.999 12 S CB 1.427 64.662 63.200 0.059 0.000 0.973 12 S HN 0.724 nan 8.310 nan 0.000 0.544 13 I N 1.820 122.458 120.570 0.113 0.000 2.533 13 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 13 I C -0.993 175.180 176.117 0.093 0.000 1.056 13 I CA -0.693 60.684 61.300 0.129 0.000 1.057 13 I CB 1.990 40.048 38.000 0.096 0.000 1.240 13 I HN 0.613 nan 8.210 nan 0.000 0.423 14 N N 3.665 122.435 118.700 0.117 0.000 2.321 14 N HA 0.647 5.387 4.740 -0.000 0.000 0.290 14 N C -0.981 174.641 175.510 0.188 0.000 1.212 14 N CA -0.682 52.444 53.050 0.126 0.000 0.767 14 N CB 2.343 40.891 38.487 0.102 0.000 1.494 14 N HN 0.578 nan 8.380 nan 0.000 0.479 15 A N 0.604 123.548 122.820 0.208 0.000 2.269 15 A HA 0.375 4.695 4.320 -0.000 0.000 0.302 15 A C -0.763 176.959 177.584 0.231 0.000 1.266 15 A CA -0.431 51.747 52.037 0.234 0.000 0.894 15 A CB -0.073 19.086 19.000 0.264 0.000 1.147 15 A HN 0.444 nan 8.150 nan 0.000 0.537 16 D N 1.850 122.319 120.400 0.114 0.000 2.249 16 D HA 0.245 4.885 4.640 -0.000 0.000 0.246 16 D C -0.276 176.033 176.300 0.016 0.000 1.114 16 D CA 0.463 54.521 54.000 0.096 0.000 0.854 16 D CB 0.525 41.337 40.800 0.020 0.000 1.132 16 D HN 0.565 nan 8.370 nan 0.000 0.461 17 H N 2.857 121.898 119.070 -0.048 0.000 2.641 17 H HA 0.377 4.933 4.556 -0.000 0.000 0.295 17 H C -0.102 175.203 175.328 -0.039 0.000 1.070 17 H CA -0.432 55.582 56.048 -0.057 0.000 1.257 17 H CB 1.072 30.888 29.762 0.090 0.000 1.393 17 H HN 0.208 nan 8.280 nan 0.000 0.464 18 I N 4.411 124.924 120.570 -0.095 0.000 2.378 18 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 18 I C -0.714 175.458 176.117 0.091 0.000 0.992 18 I CA -0.742 60.559 61.300 0.001 0.000 1.154 18 I CB 1.944 39.917 38.000 -0.044 0.000 1.315 18 I HN 0.250 nan 8.210 nan 0.000 0.448 19 L N 7.497 128.878 121.223 0.263 0.000 2.343 19 L HA 0.471 4.811 4.340 -0.000 0.000 0.278 19 L C -0.610 176.436 176.870 0.294 0.000 0.996 19 L CA -0.189 54.857 54.840 0.342 0.000 0.831 19 L CB 1.056 43.393 42.059 0.464 0.000 1.232 19 L HN 0.473 nan 8.230 nan 0.000 0.413 20 N N 5.510 124.343 118.700 0.222 0.000 2.458 20 N HA 0.551 5.291 4.740 -0.000 0.000 0.270 20 N C -0.885 174.693 175.510 0.114 0.000 1.102 20 N CA -0.105 53.049 53.050 0.173 0.000 0.967 20 N CB 1.371 39.971 38.487 0.187 0.000 1.078 20 N HN 0.503 nan 8.380 nan 0.000 0.471 21 L N -0.501 120.751 121.223 0.048 0.000 2.322 21 L HA 0.471 4.811 4.340 -0.000 0.000 0.252 21 L C 1.148 177.963 176.870 -0.091 0.000 1.055 21 L CA -0.820 54.005 54.840 -0.024 0.000 0.849 21 L CB 1.163 43.183 42.059 -0.066 0.000 1.446 21 L HN 0.319 nan 8.230 nan 0.000 0.416 22 Q N 0.203 119.941 119.800 -0.103 0.000 2.061 22 Q HA 0.185 4.525 4.340 -0.000 0.000 0.195 22 Q C -0.245 175.634 176.000 -0.203 0.000 0.967 22 Q CA 1.190 56.919 55.803 -0.124 0.000 0.829 22 Q CB 0.384 29.073 28.738 -0.081 0.000 0.900 22 Q HN 0.862 nan 8.270 nan 0.000 0.450 23 S N -0.092 115.494 115.700 -0.190 0.000 2.513 23 S HA 0.465 4.935 4.470 -0.000 0.000 0.299 23 S C -0.697 173.786 174.600 -0.195 0.000 1.087 23 S CA -0.892 57.175 58.200 -0.223 0.000 1.012 23 S CB 0.909 64.045 63.200 -0.107 0.000 1.044 23 S HN 0.149 nan 8.310 nan 0.000 0.485 24 F N 2.303 122.221 119.950 -0.053 0.000 2.602 24 F HA 0.260 4.787 4.527 -0.000 0.000 0.367 24 F C -1.855 173.872 175.800 -0.122 0.000 1.126 24 F CA -1.483 56.463 58.000 -0.089 0.000 1.321 24 F CB -0.758 38.244 39.000 0.004 0.000 1.094 24 F HN 0.327 nan 8.300 nan 0.000 0.594 25 P HA 0.033 nan 4.420 nan 0.000 0.266 25 P C -0.029 177.288 177.300 0.028 0.000 1.195 25 P CA -0.178 62.892 63.100 -0.049 0.000 0.768 25 P CB 0.373 31.989 31.700 -0.140 0.000 0.838 26 T N 1.625 116.190 114.554 0.018 0.000 2.882 26 T HA 0.406 4.756 4.350 -0.000 0.000 0.287 26 T C -2.397 172.314 174.700 0.019 0.000 1.014 26 T CA -2.129 59.986 62.100 0.025 0.000 1.049 26 T CB -0.026 68.853 68.868 0.018 0.000 1.001 26 T HN 0.095 nan 8.240 nan 0.000 0.525 27 P HA 0.246 nan 4.420 nan 0.000 0.265 27 P C 1.127 178.434 177.300 0.013 0.000 1.187 27 P CA 1.156 64.268 63.100 0.020 0.000 0.766 27 P CB 0.046 31.757 31.700 0.018 0.000 0.820 28 G N 1.004 109.812 108.800 0.013 0.000 2.257 28 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 28 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 28 G C 0.297 175.199 174.900 0.003 0.000 0.984 28 G CA 0.297 45.401 45.100 0.008 0.000 0.626 28 G HN 0.659 nan 8.290 nan 0.000 0.540 29 E N 0.634 120.835 120.200 0.001 0.000 2.343 29 E HA 0.540 4.890 4.350 -0.000 0.000 0.269 29 E C -0.669 175.921 176.600 -0.017 0.000 1.047 29 E CA -0.010 56.385 56.400 -0.010 0.000 0.874 29 E CB 0.603 30.294 29.700 -0.014 0.000 1.033 29 E HN 0.059 nan 8.360 nan 0.000 0.409 30 T N 3.474 118.014 114.554 -0.023 0.000 2.864 30 T HA 0.314 4.664 4.350 -0.000 0.000 0.299 30 T C -1.198 173.476 174.700 -0.042 0.000 1.011 30 T CA -0.440 61.642 62.100 -0.030 0.000 0.975 30 T CB 1.147 70.005 68.868 -0.017 0.000 0.962 30 T HN 0.282 nan 8.240 nan 0.000 0.448 31 V N 3.806 123.679 119.914 -0.069 0.000 2.881 31 V HA 0.865 4.985 4.120 -0.000 0.000 0.316 31 V C -0.024 176.032 176.094 -0.063 0.000 1.070 31 V CA -0.475 61.782 62.300 -0.072 0.000 0.976 31 V CB 2.220 33.980 31.823 -0.105 0.000 1.038 31 V HN 0.920 nan 8.190 nan 0.000 0.446 32 T N 3.335 117.862 114.554 -0.045 0.000 2.779 32 T HA 0.722 5.072 4.350 -0.000 0.000 0.280 32 T C 0.198 174.888 174.700 -0.016 0.000 0.987 32 T CA 0.195 62.279 62.100 -0.028 0.000 0.966 32 T CB 0.781 69.638 68.868 -0.018 0.000 0.933 32 T HN 1.136 nan 8.240 nan 0.000 0.442 33 G N 2.476 111.280 108.800 0.006 0.000 2.563 33 G HA2 0.309 4.269 3.960 -0.000 0.000 0.283 33 G HA3 0.309 4.269 3.960 -0.000 0.000 0.283 33 G C 0.797 175.730 174.900 0.055 0.000 1.309 33 G CA -0.575 44.547 45.100 0.036 0.000 1.022 33 G HN 0.896 nan 8.290 nan 0.000 0.501 34 N N -1.422 117.330 118.700 0.087 0.000 2.171 34 N HA 0.065 4.805 4.740 -0.000 0.000 0.212 34 N C -0.263 175.362 175.510 0.192 0.000 1.184 34 N CA -0.109 53.001 53.050 0.101 0.000 0.888 34 N CB 0.810 39.338 38.487 0.068 0.000 1.038 34 N HN 0.555 nan 8.380 nan 0.000 0.517 35 H N -0.635 118.484 119.070 0.082 0.000 3.121 35 H HA 0.378 4.934 4.556 -0.000 0.000 0.337 35 H C -2.431 173.002 175.328 0.174 0.000 1.198 35 H CA -0.724 55.383 56.048 0.099 0.000 1.274 35 H CB 1.076 30.871 29.762 0.055 0.000 1.954 35 H HN 0.064 nan 8.280 nan 0.000 0.531 36 Y N 3.918 123.860 120.300 -0.597 0.000 2.457 36 Y HA 0.527 5.077 4.550 -0.000 0.000 0.343 36 Y C -1.580 174.029 175.900 -0.485 0.000 0.994 36 Y CA -0.421 57.468 58.100 -0.351 0.000 1.031 36 Y CB 1.856 40.220 38.460 -0.161 0.000 1.246 36 Y HN 0.832 nan 8.280 nan 0.000 0.449 37 Q N 4.581 123.757 119.800 -1.040 0.000 2.353 37 Q HA 0.680 5.020 4.340 -0.000 0.000 0.275 37 Q C -2.307 173.191 176.000 -0.837 0.000 1.029 37 Q CA -0.880 54.450 55.803 -0.788 0.000 0.848 37 Q CB 2.513 31.014 28.738 -0.396 0.000 1.390 37 Q HN 0.609 nan 8.270 nan 0.000 0.401 38 V N 1.993 121.506 119.914 -0.668 0.000 2.409 38 V HA 0.918 5.038 4.120 -0.000 0.000 0.291 38 V C -0.431 175.379 176.094 -0.474 0.000 1.020 38 V CA -0.133 61.792 62.300 -0.625 0.000 0.848 38 V CB 0.768 32.216 31.823 -0.625 0.000 0.990 38 V HN 0.840 nan 8.190 nan 0.000 0.430 39 A N 3.957 126.537 122.820 -0.401 0.000 2.564 39 A HA 0.933 5.253 4.320 -0.000 0.000 0.288 39 A C -1.211 176.202 177.584 -0.284 0.000 1.164 39 A CA -0.602 51.169 52.037 -0.444 0.000 0.712 39 A CB 1.140 19.980 19.000 -0.267 0.000 1.303 39 A HN 0.471 nan 8.150 nan 0.000 0.418 40 F N 0.502 120.435 119.950 -0.028 0.000 2.443 40 F HA 0.558 5.085 4.527 -0.000 0.000 0.353 40 F C 1.176 176.973 175.800 -0.005 0.000 1.101 40 F CA 0.609 58.606 58.000 -0.004 0.000 1.226 40 F CB 0.940 39.942 39.000 0.004 0.000 1.140 40 F HN 0.838 nan 8.300 nan 0.000 0.557 41 G N -0.312 108.618 108.800 0.217 0.000 2.846 41 G HA2 0.636 4.596 3.960 -0.000 0.000 0.299 41 G HA3 0.636 4.596 3.960 -0.000 0.000 0.299 41 G C -0.551 174.409 174.900 0.100 0.000 1.242 41 G CA -0.389 44.780 45.100 0.115 0.000 0.800 41 G HN 1.158 nan 8.290 nan 0.000 0.538 42 G N -0.841 108.001 108.800 0.070 0.000 3.055 42 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.686 42 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.686 42 G C 0.483 175.411 174.900 0.048 0.000 1.087 42 G CA 0.383 45.523 45.100 0.067 0.000 0.779 42 G HN 0.774 nan 8.290 nan 0.000 0.599 43 K N 1.305 121.728 120.400 0.039 0.000 2.103 43 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 43 K C 2.802 179.410 176.600 0.013 0.000 1.048 43 K CA 1.684 57.985 56.287 0.022 0.000 0.930 43 K CB -0.115 32.399 32.500 0.024 0.000 0.716 43 K HN 0.760 nan 8.250 nan 0.000 0.444 44 G N 1.496 110.336 108.800 0.067 0.000 2.421 44 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 44 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 44 G C 1.681 176.467 174.900 -0.191 0.000 1.171 44 G CA 1.036 46.192 45.100 0.092 0.000 0.775 44 G HN 0.378 nan 8.290 nan 0.000 0.543 45 A N 0.980 123.724 122.820 -0.127 0.000 1.930 45 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 45 A C 2.269 179.681 177.584 -0.287 0.000 1.176 45 A CA 1.671 53.462 52.037 -0.411 0.000 0.632 45 A CB -0.404 18.588 19.000 -0.013 0.000 0.819 45 A HN 0.317 nan 8.150 nan 0.000 0.445 46 N N 0.529 119.151 118.700 -0.131 0.000 2.060 46 N HA -0.224 4.516 4.740 -0.000 0.000 0.195 46 N C 1.800 177.218 175.510 -0.153 0.000 1.028 46 N CA 1.951 54.935 53.050 -0.110 0.000 0.861 46 N CB -0.560 37.898 38.487 -0.048 0.000 1.029 46 N HN 0.683 nan 8.380 nan 0.000 0.428 47 Q N -0.169 119.536 119.800 -0.157 0.000 2.224 47 Q HA 0.105 4.445 4.340 -0.000 0.000 0.203 47 Q C 1.982 177.852 176.000 -0.217 0.000 0.970 47 Q CA 1.168 56.883 55.803 -0.147 0.000 0.865 47 Q CB -0.053 28.630 28.738 -0.092 0.000 0.922 47 Q HN 0.424 nan 8.270 nan 0.000 0.445 48 A N 0.361 122.959 122.820 -0.371 0.000 1.929 48 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 48 A C 2.294 179.696 177.584 -0.303 0.000 1.176 48 A CA 0.916 52.696 52.037 -0.429 0.000 0.628 48 A CB -0.432 18.020 19.000 -0.912 0.000 0.816 48 A HN 0.184 nan 8.150 nan 0.000 0.444 49 V N -0.006 119.732 119.914 -0.294 0.000 2.358 49 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 49 V C 3.030 178.968 176.094 -0.260 0.000 1.047 49 V CA 1.793 63.941 62.300 -0.254 0.000 1.035 49 V CB -1.203 30.488 31.823 -0.221 0.000 0.658 49 V HN 0.589 nan 8.190 nan 0.000 0.452 50 A N 0.036 122.728 122.820 -0.213 0.000 1.933 50 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 50 A C 2.407 179.904 177.584 -0.145 0.000 1.175 50 A CA 2.143 54.069 52.037 -0.185 0.000 0.628 50 A CB -0.685 18.234 19.000 -0.134 0.000 0.814 50 A HN 0.556 nan 8.150 nan 0.000 0.444 51 A N -0.487 122.257 122.820 -0.127 0.000 1.854 51 A HA 0.206 4.526 4.320 -0.000 0.000 0.214 51 A C 2.473 180.014 177.584 -0.071 0.000 1.192 51 A CA 1.812 53.801 52.037 -0.079 0.000 0.611 51 A CB -1.535 17.415 19.000 -0.084 0.000 0.832 51 A HN 0.743 nan 8.150 nan 0.000 0.442 52 G N -0.239 108.498 108.800 -0.105 0.000 2.553 52 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 52 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 52 G C 1.751 176.603 174.900 -0.080 0.000 1.195 52 G CA 1.137 46.190 45.100 -0.078 0.000 0.779 52 G HN 0.572 nan 8.290 nan 0.000 0.577 53 R N 0.083 120.427 120.500 -0.260 0.000 2.148 53 R HA 0.072 4.412 4.340 -0.000 0.000 0.227 53 R C 2.839 179.111 176.300 -0.047 0.000 1.103 53 R CA 0.959 56.828 56.100 -0.384 0.000 0.983 53 R CB -0.206 29.413 30.300 -1.135 0.000 0.874 53 R HN 0.278 nan 8.270 nan 0.000 0.451 54 S N -0.761 114.923 115.700 -0.026 0.000 2.453 54 S HA 0.010 4.480 4.470 -0.000 0.000 0.231 54 S C 1.257 175.948 174.600 0.150 0.000 1.005 54 S CA 1.137 59.410 58.200 0.122 0.000 0.949 54 S CB 0.408 63.702 63.200 0.157 0.000 0.774 54 S HN 0.701 nan 8.310 nan 0.000 0.510 55 G N 0.237 109.092 108.800 0.091 0.000 2.159 55 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.170 55 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.170 55 G C 0.052 174.971 174.900 0.032 0.000 1.007 55 G CA -0.185 44.962 45.100 0.078 0.000 0.672 55 G HN 0.729 nan 8.290 nan 0.000 0.507 56 A N 0.139 122.968 122.820 0.014 0.000 2.332 56 A HA 0.615 4.935 4.320 -0.000 0.000 0.258 56 A C 0.396 177.982 177.584 0.004 0.000 1.087 56 A CA -0.223 51.811 52.037 -0.006 0.000 0.802 56 A CB 0.277 19.266 19.000 -0.019 0.000 1.042 56 A HN 0.334 nan 8.150 nan 0.000 0.489 57 N N 1.768 120.468 118.700 -0.000 0.000 2.469 57 N HA 0.290 5.030 4.740 -0.000 0.000 0.239 57 N C -1.073 174.441 175.510 0.006 0.000 1.053 57 N CA 0.030 53.084 53.050 0.007 0.000 0.937 57 N CB 1.364 39.854 38.487 0.005 0.000 1.163 57 N HN 0.588 nan 8.380 nan 0.000 0.509 58 I N 1.149 121.725 120.570 0.011 0.000 2.582 58 I HA 0.575 4.745 4.170 -0.000 0.000 0.292 58 I C -1.169 174.969 176.117 0.035 0.000 1.066 58 I CA -0.740 60.567 61.300 0.012 0.000 1.053 58 I CB 1.892 39.884 38.000 -0.013 0.000 1.241 58 I HN 0.320 nan 8.210 nan 0.000 0.421 59 A N 6.719 129.571 122.820 0.054 0.000 2.355 59 A HA 0.758 5.078 4.320 -0.000 0.000 0.324 59 A C -1.701 175.984 177.584 0.169 0.000 1.117 59 A CA -0.470 51.621 52.037 0.090 0.000 0.785 59 A CB 1.294 20.329 19.000 0.060 0.000 1.254 59 A HN 0.553 nan 8.150 nan 0.000 0.453 60 F N 2.525 122.465 119.950 -0.017 0.000 2.460 60 F HA 0.600 5.127 4.527 -0.000 0.000 0.341 60 F C -0.837 174.951 175.800 -0.020 0.000 1.130 60 F CA -1.768 56.220 58.000 -0.020 0.000 0.962 60 F CB 0.925 39.909 39.000 -0.028 0.000 1.171 60 F HN 0.401 nan 8.300 nan 0.000 0.436 61 I N 6.495 127.051 120.570 -0.024 0.000 2.304 61 I HA 0.645 4.815 4.170 -0.000 0.000 0.291 61 I C -0.028 175.811 176.117 -0.462 0.000 1.018 61 I CA -0.158 61.016 61.300 -0.210 0.000 1.260 61 I CB 0.585 38.545 38.000 -0.067 0.000 1.390 61 I HN 0.749 nan 8.210 nan 0.000 0.475 62 A N 5.459 127.927 122.820 -0.588 0.000 2.557 62 A HA 0.850 5.170 4.320 -0.000 0.000 0.292 62 A C -1.610 175.779 177.584 -0.325 0.000 1.139 62 A CA -0.541 51.164 52.037 -0.552 0.000 0.665 62 A CB 1.527 19.906 19.000 -1.034 0.000 1.285 62 A HN 0.658 nan 8.150 nan 0.000 0.433 63 C N 0.819 119.983 119.300 -0.227 0.000 2.535 63 C HA 0.819 5.279 4.460 -0.000 0.000 0.319 63 C C 0.589 175.516 174.990 -0.106 0.000 1.171 63 C CA -0.218 58.713 59.018 -0.145 0.000 1.394 63 C CB 0.639 28.319 27.740 -0.099 0.000 1.990 63 C HN 1.117 nan 8.230 nan 0.000 0.466 64 T N 0.214 114.718 114.554 -0.083 0.000 2.897 64 T HA 0.762 5.112 4.350 -0.000 0.000 0.278 64 T C 0.540 175.224 174.700 -0.028 0.000 0.981 64 T CA -0.102 61.971 62.100 -0.045 0.000 0.973 64 T CB 1.223 70.067 68.868 -0.039 0.000 1.092 64 T HN 1.033 nan 8.240 nan 0.000 0.543 65 G N -0.201 108.596 108.800 -0.005 0.000 2.588 65 G HA2 0.396 4.356 3.960 -0.000 0.000 0.281 65 G HA3 0.396 4.356 3.960 -0.000 0.000 0.281 65 G C -0.068 174.835 174.900 0.005 0.000 1.236 65 G CA -0.516 44.586 45.100 0.004 0.000 0.969 65 G HN 0.871 nan 8.290 nan 0.000 0.504 66 D N -1.034 119.371 120.400 0.008 0.000 2.538 66 D HA 0.121 4.761 4.640 -0.000 0.000 0.234 66 D C -0.142 176.168 176.300 0.018 0.000 1.191 66 D CA -0.509 53.496 54.000 0.008 0.000 0.828 66 D CB -0.029 40.775 40.800 0.006 0.000 0.981 66 D HN 0.292 nan 8.370 nan 0.000 0.490 67 D N -1.689 118.727 120.400 0.027 0.000 2.440 67 D HA 0.180 4.820 4.640 -0.000 0.000 0.258 67 D C 1.157 177.482 176.300 0.042 0.000 1.092 67 D CA -0.927 53.095 54.000 0.037 0.000 1.016 67 D CB 0.866 41.696 40.800 0.050 0.000 1.141 67 D HN -0.123 nan 8.370 nan 0.000 0.552 68 S N -0.468 115.262 115.700 0.050 0.000 2.383 68 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 68 S C 1.805 176.452 174.600 0.078 0.000 1.026 68 S CA 0.618 58.852 58.200 0.056 0.000 0.981 68 S CB -0.515 62.719 63.200 0.056 0.000 0.818 68 S HN 0.491 nan 8.310 nan 0.000 0.472 69 I N 2.021 122.650 120.570 0.099 0.000 2.226 69 I HA 0.033 4.203 4.170 -0.000 0.000 0.245 69 I C 2.327 178.514 176.117 0.117 0.000 1.100 69 I CA 1.527 62.917 61.300 0.151 0.000 1.374 69 I CB -1.126 36.975 38.000 0.168 0.000 1.057 69 I HN 0.373 nan 8.210 nan 0.000 0.413 70 G N -0.479 108.361 108.800 0.068 0.000 2.476 70 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.218 70 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.218 70 G C 1.626 176.521 174.900 -0.007 0.000 1.164 70 G CA 1.099 46.211 45.100 0.019 0.000 0.768 70 G HN 0.517 nan 8.290 nan 0.000 0.560 71 E N 0.069 120.278 120.200 0.014 0.000 2.077 71 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 71 E C 2.795 179.395 176.600 0.000 0.000 0.989 71 E CA 1.174 57.578 56.400 0.006 0.000 0.800 71 E CB -0.082 29.631 29.700 0.023 0.000 0.746 71 E HN 0.388 nan 8.360 nan 0.000 0.452 72 S N -0.200 115.522 115.700 0.037 0.000 2.356 72 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 72 S C 1.983 176.501 174.600 -0.137 0.000 1.032 72 S CA 1.064 59.302 58.200 0.063 0.000 1.005 72 S CB -0.305 63.043 63.200 0.247 0.000 0.867 72 S HN 0.278 nan 8.310 nan 0.000 0.449 73 V N 2.227 121.931 119.914 -0.349 0.000 2.407 73 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 73 V C 2.256 178.117 176.094 -0.387 0.000 1.055 73 V CA 1.682 63.485 62.300 -0.829 0.000 1.049 73 V CB -0.433 30.912 31.823 -0.797 0.000 0.662 73 V HN 0.382 nan 8.190 nan 0.000 0.455 74 R N -0.778 119.609 120.500 -0.188 0.000 2.075 74 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 74 R C 2.395 178.655 176.300 -0.067 0.000 1.126 74 R CA 1.937 57.981 56.100 -0.093 0.000 0.963 74 R CB -0.364 29.901 30.300 -0.059 0.000 0.858 74 R HN 0.601 nan 8.270 nan 0.000 0.435 75 Q N 0.319 120.082 119.800 -0.062 0.000 2.050 75 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 75 Q C 2.201 178.191 176.000 -0.015 0.000 0.980 75 Q CA 1.700 57.490 55.803 -0.021 0.000 0.840 75 Q CB -0.050 28.691 28.738 0.005 0.000 0.898 75 Q HN 0.149 nan 8.270 nan 0.000 0.424 76 Q N 0.927 120.695 119.800 -0.054 0.000 2.077 76 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 76 Q C 1.789 177.779 176.000 -0.016 0.000 0.989 76 Q CA 1.604 57.399 55.803 -0.013 0.000 0.853 76 Q CB -0.380 28.328 28.738 -0.049 0.000 0.907 76 Q HN 0.419 nan 8.270 nan 0.000 0.418 77 L N -0.228 120.952 121.223 -0.072 0.000 2.187 77 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 77 L C 2.309 179.192 176.870 0.021 0.000 1.100 77 L CA 0.960 55.786 54.840 -0.023 0.000 0.765 77 L CB -0.636 41.432 42.059 0.014 0.000 0.904 77 L HN 0.351 nan 8.230 nan 0.000 0.437 78 A N -0.433 122.402 122.820 0.025 0.000 2.066 78 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 78 A C 2.292 179.914 177.584 0.064 0.000 1.157 78 A CA 1.695 53.757 52.037 0.041 0.000 0.670 78 A CB -0.638 18.380 19.000 0.031 0.000 0.804 78 A HN 0.485 nan 8.150 nan 0.000 0.453 79 T N -3.641 110.961 114.554 0.081 0.000 3.129 79 T HA 0.049 4.399 4.350 -0.000 0.000 0.251 79 T C 0.314 175.144 174.700 0.217 0.000 1.117 79 T CA 0.734 62.910 62.100 0.125 0.000 1.034 79 T CB -0.127 68.815 68.868 0.123 0.000 0.968 79 T HN 0.235 nan 8.240 nan 0.000 0.526 80 D N 2.292 122.786 120.400 0.156 0.000 2.395 80 D HA 0.155 4.795 4.640 -0.000 0.000 0.226 80 D C 0.144 176.502 176.300 0.097 0.000 1.146 80 D CA -0.111 53.967 54.000 0.130 0.000 0.830 80 D CB -0.141 40.638 40.800 -0.035 0.000 0.958 80 D HN 0.287 nan 8.370 nan 0.000 0.501 81 N N 0.188 118.971 118.700 0.139 0.000 2.776 81 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 81 N C -0.429 175.111 175.510 0.051 0.000 1.112 81 N CA 0.544 53.658 53.050 0.105 0.000 0.733 81 N CB -1.709 36.863 38.487 0.142 0.000 1.097 81 N HN 0.398 nan 8.380 nan 0.000 0.558 82 I N 0.162 120.757 120.570 0.040 0.000 2.460 82 I HA 0.187 4.357 4.170 -0.000 0.000 0.298 82 I C 0.441 176.592 176.117 0.056 0.000 0.989 82 I CA -0.822 60.499 61.300 0.035 0.000 1.173 82 I CB 1.545 39.559 38.000 0.022 0.000 1.338 82 I HN -0.124 nan 8.210 nan 0.000 0.456 83 D N 6.263 126.699 120.400 0.060 0.000 2.339 83 D HA 0.198 4.838 4.640 -0.000 0.000 0.241 83 D C 0.507 176.851 176.300 0.073 0.000 1.183 83 D CA -0.236 53.797 54.000 0.055 0.000 0.859 83 D CB 0.817 41.643 40.800 0.043 0.000 1.067 83 D HN 0.497 nan 8.370 nan 0.000 0.484 84 I N 0.572 121.176 120.570 0.056 0.000 3.904 84 I HA 0.129 4.299 4.170 -0.000 0.000 0.333 84 I C 1.173 177.291 176.117 0.001 0.000 1.361 84 I CA -0.484 60.844 61.300 0.047 0.000 1.116 84 I CB 0.060 38.085 38.000 0.042 0.000 1.028 84 I HN 0.072 nan 8.210 nan 0.000 0.398 85 T N 2.881 117.438 114.554 0.005 0.000 2.653 85 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 85 T C -0.666 174.017 174.700 -0.029 0.000 1.035 85 T CA 2.050 64.145 62.100 -0.009 0.000 1.154 85 T CB -1.242 67.626 68.868 -0.001 0.000 0.862 85 T HN 0.428 nan 8.240 nan 0.000 0.441 86 P HA 0.284 nan 4.420 nan 0.000 0.253 86 P C -0.719 176.503 177.300 -0.130 0.000 1.459 86 P CA 0.081 63.141 63.100 -0.067 0.000 0.908 86 P CB -0.192 31.477 31.700 -0.051 0.000 1.470 87 V N 0.272 120.104 119.914 -0.137 0.000 2.368 87 V HA 0.173 4.293 4.120 -0.000 0.000 0.266 87 V C 0.737 176.753 176.094 -0.131 0.000 1.045 87 V CA 0.012 62.191 62.300 -0.200 0.000 0.899 87 V CB 0.760 32.470 31.823 -0.189 0.000 1.006 87 V HN 0.051 nan 8.190 nan 0.000 0.470 88 S N 3.762 119.383 115.700 -0.131 0.000 2.610 88 S HA 0.529 4.999 4.470 -0.000 0.000 0.273 88 S C -0.111 174.443 174.600 -0.075 0.000 1.274 88 S CA -0.510 57.637 58.200 -0.088 0.000 1.023 88 S CB 1.730 64.882 63.200 -0.080 0.000 0.962 88 S HN 0.472 nan 8.310 nan 0.000 0.523 89 V N 4.247 124.130 119.914 -0.052 0.000 2.311 89 V HA 0.294 4.414 4.120 -0.000 0.000 0.275 89 V C -0.385 175.690 176.094 -0.031 0.000 1.022 89 V CA -0.660 61.617 62.300 -0.039 0.000 0.830 89 V CB 0.618 32.424 31.823 -0.028 0.000 1.012 89 V HN 0.657 nan 8.190 nan 0.000 0.452 90 I N 4.353 124.905 120.570 -0.030 0.000 2.379 90 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 90 I C 0.518 176.627 176.117 -0.013 0.000 1.063 90 I CA -0.211 61.075 61.300 -0.024 0.000 1.351 90 I CB 0.702 38.685 38.000 -0.027 0.000 1.410 90 I HN 0.612 nan 8.210 nan 0.000 0.505 91 K N 4.721 125.115 120.400 -0.011 0.000 2.379 91 K HA 0.380 4.700 4.320 -0.000 0.000 0.284 91 K C 0.979 177.578 176.600 -0.001 0.000 1.044 91 K CA 0.650 56.934 56.287 -0.004 0.000 0.974 91 K CB 0.380 32.877 32.500 -0.005 0.000 0.962 91 K HN 0.892 nan 8.250 nan 0.000 0.474 92 G N 2.839 111.642 108.800 0.004 0.000 2.175 92 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 92 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 92 G C -0.395 174.513 174.900 0.013 0.000 0.982 92 G CA 0.076 45.180 45.100 0.008 0.000 0.641 92 G HN 0.623 nan 8.290 nan 0.000 0.527 93 E N -0.064 120.143 120.200 0.012 0.000 2.336 93 E HA 0.636 4.986 4.350 -0.000 0.000 0.267 93 E C -0.522 176.095 176.600 0.029 0.000 0.906 93 E CA -0.617 55.795 56.400 0.020 0.000 0.781 93 E CB 1.749 31.452 29.700 0.004 0.000 1.261 93 E HN 0.161 nan 8.360 nan 0.000 0.436 94 S N 0.474 116.205 115.700 0.051 0.000 2.616 94 S HA 0.285 4.755 4.470 -0.000 0.000 0.277 94 S C -0.066 174.569 174.600 0.057 0.000 1.234 94 S CA -0.738 57.501 58.200 0.065 0.000 1.028 94 S CB 1.396 64.654 63.200 0.098 0.000 0.988 94 S HN 0.386 nan 8.310 nan 0.000 0.522 95 T N 2.406 116.997 114.554 0.063 0.000 2.932 95 T HA 0.321 4.671 4.350 -0.000 0.000 0.312 95 T C 1.019 175.764 174.700 0.076 0.000 1.071 95 T CA -0.023 62.111 62.100 0.058 0.000 1.128 95 T CB 0.225 69.138 68.868 0.076 0.000 0.984 95 T HN 0.732 nan 8.240 nan 0.000 0.549 96 G N 1.293 110.120 108.800 0.045 0.000 2.554 96 G HA2 0.421 4.381 3.960 -0.000 0.000 0.238 96 G HA3 0.421 4.381 3.960 -0.000 0.000 0.238 96 G C -0.695 174.265 174.900 0.101 0.000 1.259 96 G CA -0.398 44.726 45.100 0.040 0.000 0.843 96 G HN 0.643 nan 8.290 nan 0.000 0.582 97 V N 0.586 120.570 119.914 0.117 0.000 2.735 97 V HA 0.765 4.885 4.120 -0.000 0.000 0.310 97 V C 0.239 176.376 176.094 0.073 0.000 1.061 97 V CA -0.566 61.797 62.300 0.105 0.000 0.913 97 V CB 1.731 33.586 31.823 0.053 0.000 1.005 97 V HN 1.198 nan 8.190 nan 0.000 0.428 98 A N 4.848 127.712 122.820 0.072 0.000 2.355 98 A HA 0.916 5.235 4.320 -0.000 0.000 0.317 98 A C -1.167 176.424 177.584 0.011 0.000 1.094 98 A CA -0.577 51.479 52.037 0.032 0.000 0.764 98 A CB 1.203 20.226 19.000 0.037 0.000 1.230 98 A HN 0.761 nan 8.150 nan 0.000 0.448 99 L N 2.774 123.959 121.223 -0.063 0.000 2.313 99 L HA 0.620 4.960 4.340 -0.000 0.000 0.283 99 L C -0.913 175.825 176.870 -0.221 0.000 1.013 99 L CA -0.286 54.482 54.840 -0.119 0.000 0.816 99 L CB 1.295 43.248 42.059 -0.176 0.000 1.236 99 L HN 0.578 nan 8.230 nan 0.000 0.419 100 I N 2.864 123.311 120.570 -0.204 0.000 2.512 100 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 100 I C -1.045 175.015 176.117 -0.096 0.000 1.069 100 I CA -0.419 60.771 61.300 -0.183 0.000 1.056 100 I CB 2.113 40.100 38.000 -0.021 0.000 1.229 100 I HN 0.279 nan 8.210 nan 0.000 0.429 101 F N 5.678 125.716 119.950 0.146 0.000 2.411 101 F HA 0.449 4.976 4.527 -0.000 0.000 0.350 101 F C 0.269 176.291 175.800 0.369 0.000 1.114 101 F CA -1.088 57.067 58.000 0.259 0.000 1.135 101 F CB 1.286 40.499 39.000 0.356 0.000 1.120 101 F HN -0.017 nan 8.300 nan 0.000 0.495 102 V N 4.878 125.066 119.914 0.456 0.000 2.357 102 V HA 0.272 4.392 4.120 -0.000 0.000 0.284 102 V C 0.054 176.204 176.094 0.093 0.000 1.018 102 V CA -1.017 61.461 62.300 0.297 0.000 0.841 102 V CB 0.968 32.898 31.823 0.177 0.000 0.991 102 V HN 0.798 nan 8.190 nan 0.000 0.437 103 N N 4.291 122.883 118.700 -0.179 0.000 2.332 103 N HA 0.238 4.978 4.740 -0.000 0.000 0.282 103 N C 1.451 176.851 175.510 -0.184 0.000 1.288 103 N CA 0.206 53.008 53.050 -0.412 0.000 0.949 103 N CB 0.244 38.158 38.487 -0.954 0.000 1.108 103 N HN 0.437 nan 8.380 nan 0.000 0.542 104 G N -1.265 107.425 108.800 -0.183 0.000 2.421 104 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 104 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 104 G C 0.831 175.691 174.900 -0.065 0.000 1.143 104 G CA 0.259 45.301 45.100 -0.097 0.000 0.784 104 G HN 0.723 nan 8.290 nan 0.000 0.541 105 E N -0.078 120.077 120.200 -0.074 0.000 2.502 105 E HA 0.248 4.598 4.350 -0.000 0.000 0.194 105 E C 1.800 178.398 176.600 -0.004 0.000 1.062 105 E CA 0.164 56.546 56.400 -0.031 0.000 0.867 105 E CB -0.014 29.671 29.700 -0.026 0.000 0.888 105 E HN 0.389 nan 8.360 nan 0.000 0.510 106 G N 1.844 110.641 108.800 -0.005 0.000 2.162 106 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 106 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 106 G C -0.061 174.886 174.900 0.079 0.000 0.976 106 G CA 0.253 45.373 45.100 0.033 0.000 0.655 106 G HN 0.346 nan 8.290 nan 0.000 0.533 107 E N 0.336 120.597 120.200 0.102 0.000 2.390 107 E HA 0.439 4.789 4.350 -0.000 0.000 0.261 107 E C 0.421 177.260 176.600 0.398 0.000 1.076 107 E CA 0.332 56.862 56.400 0.217 0.000 0.905 107 E CB 0.388 30.248 29.700 0.266 0.000 0.984 107 E HN 0.732 nan 8.360 nan 0.000 0.427 108 N N -0.968 117.945 118.700 0.354 0.000 2.242 108 N HA 0.458 5.198 4.740 -0.000 0.000 0.292 108 N C -1.581 173.967 175.510 0.063 0.000 1.125 108 N CA -1.000 52.236 53.050 0.310 0.000 0.783 108 N CB 1.944 40.537 38.487 0.177 0.000 1.558 108 N HN 0.286 nan 8.380 nan 0.000 0.472 109 V N 1.064 120.947 119.914 -0.052 0.000 2.628 109 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 109 V C -1.221 174.790 176.094 -0.138 0.000 1.045 109 V CA -0.605 61.579 62.300 -0.193 0.000 0.905 109 V CB 0.940 32.534 31.823 -0.383 0.000 0.997 109 V HN 0.816 nan 8.190 nan 0.000 0.436 110 I N 5.345 125.838 120.570 -0.128 0.000 2.571 110 I HA 0.656 4.826 4.170 -0.000 0.000 0.289 110 I C 0.287 176.340 176.117 -0.106 0.000 1.115 110 I CA -0.530 60.702 61.300 -0.113 0.000 1.045 110 I CB 2.096 40.063 38.000 -0.056 0.000 1.238 110 I HN 0.856 nan 8.210 nan 0.000 0.424 111 G N 6.965 115.692 108.800 -0.121 0.000 2.452 111 G HA2 0.779 4.739 3.960 -0.000 0.000 0.324 111 G HA3 0.779 4.739 3.960 -0.000 0.000 0.324 111 G C -0.919 173.954 174.900 -0.045 0.000 1.214 111 G CA -0.512 44.539 45.100 -0.080 0.000 0.947 111 G HN 0.618 nan 8.290 nan 0.000 0.478 112 I N -0.185 120.377 120.570 -0.013 0.000 2.785 112 I HA 0.733 4.903 4.170 -0.000 0.000 0.302 112 I C -1.877 174.280 176.117 0.066 0.000 1.069 112 I CA -1.151 60.161 61.300 0.019 0.000 1.045 112 I CB 2.729 40.736 38.000 0.011 0.000 1.236 112 I HN 0.571 nan 8.210 nan 0.000 0.429 113 H N 4.445 123.499 119.070 -0.027 0.000 2.646 113 H HA 0.698 5.254 4.556 -0.000 0.000 0.328 113 H C 0.268 175.590 175.328 -0.010 0.000 0.998 113 H CA 0.144 56.178 56.048 -0.023 0.000 1.225 113 H CB 2.097 31.841 29.762 -0.031 0.000 1.457 113 H HN 0.785 nan 8.280 nan 0.000 0.505 114 A N 4.329 126.895 122.820 -0.424 0.000 1.902 114 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 114 A C 1.989 179.363 177.584 -0.350 0.000 1.181 114 A CA 1.283 53.145 52.037 -0.292 0.000 0.623 114 A CB -1.281 17.598 19.000 -0.202 0.000 0.818 114 A HN 1.240 nan 8.150 nan 0.000 0.443 115 G N -1.033 107.373 108.800 -0.658 0.000 2.661 115 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.327 115 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.327 115 G C 1.419 176.233 174.900 -0.144 0.000 1.320 115 G CA 1.833 46.745 45.100 -0.312 0.000 0.997 115 G HN 1.594 nan 8.290 nan 0.000 0.543 116 A N -0.308 122.470 122.820 -0.070 0.000 2.131 116 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 116 A C 2.145 179.692 177.584 -0.062 0.000 1.158 116 A CA 2.150 54.156 52.037 -0.053 0.000 0.665 116 A CB -0.487 18.493 19.000 -0.034 0.000 0.795 116 A HN 0.645 nan 8.150 nan 0.000 0.460 117 N N 0.566 119.224 118.700 -0.070 0.000 2.364 117 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 117 N C 1.531 177.004 175.510 -0.061 0.000 1.022 117 N CA 1.249 54.263 53.050 -0.060 0.000 0.883 117 N CB -0.337 38.122 38.487 -0.047 0.000 0.965 117 N HN 0.524 nan 8.380 nan 0.000 0.438 118 A N -0.028 122.747 122.820 -0.074 0.000 2.238 118 A HA 0.348 4.668 4.320 -0.000 0.000 0.208 118 A C 1.797 179.352 177.584 -0.048 0.000 1.177 118 A CA 0.801 52.801 52.037 -0.061 0.000 0.804 118 A CB 0.017 18.974 19.000 -0.072 0.000 0.823 118 A HN 0.246 nan 8.150 nan 0.000 0.482 119 A N -0.926 121.865 122.820 -0.049 0.000 2.390 119 A HA 0.437 4.757 4.320 -0.000 0.000 0.232 119 A C 0.657 178.215 177.584 -0.043 0.000 1.233 119 A CA -0.278 51.734 52.037 -0.041 0.000 0.907 119 A CB -0.172 18.805 19.000 -0.039 0.000 0.967 119 A HN 0.423 nan 8.150 nan 0.000 0.512 120 L N 2.922 124.116 121.223 -0.048 0.000 2.536 120 L HA 0.195 4.535 4.340 -0.000 0.000 0.282 120 L C 0.297 177.145 176.870 -0.037 0.000 1.147 120 L CA -0.256 54.553 54.840 -0.051 0.000 0.936 120 L CB 0.154 42.178 42.059 -0.059 0.000 1.279 120 L HN 0.474 nan 8.230 nan 0.000 0.461 121 S N 3.561 119.241 115.700 -0.034 0.000 2.722 121 S HA 0.555 5.025 4.470 -0.000 0.000 0.292 121 S C -1.961 172.626 174.600 -0.021 0.000 1.135 121 S CA -1.410 56.775 58.200 -0.025 0.000 1.003 121 S CB 1.411 64.597 63.200 -0.023 0.000 1.067 121 S HN 0.324 nan 8.310 nan 0.000 0.546 122 P HA -0.123 nan 4.420 nan 0.000 0.216 122 P C 1.561 178.853 177.300 -0.013 0.000 1.154 122 P CA 2.163 65.256 63.100 -0.012 0.000 0.865 122 P CB -0.270 31.424 31.700 -0.010 0.000 0.789 123 A N -0.847 121.964 122.820 -0.014 0.000 1.902 123 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 123 A C 2.222 179.795 177.584 -0.018 0.000 1.181 123 A CA 1.482 53.510 52.037 -0.014 0.000 0.623 123 A CB -1.619 17.372 19.000 -0.015 0.000 0.818 123 A HN 0.132 nan 8.150 nan 0.000 0.443 124 L N -0.741 120.468 121.223 -0.023 0.000 2.156 124 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 124 L C 2.472 179.326 176.870 -0.026 0.000 1.095 124 L CA 0.615 55.438 54.840 -0.029 0.000 0.770 124 L CB -0.395 41.640 42.059 -0.040 0.000 0.914 124 L HN 0.241 nan 8.230 nan 0.000 0.439 125 V N -0.432 119.469 119.914 -0.021 0.000 2.307 125 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 125 V C 2.520 178.608 176.094 -0.010 0.000 1.045 125 V CA 1.545 63.836 62.300 -0.015 0.000 1.024 125 V CB -0.365 31.452 31.823 -0.009 0.000 0.651 125 V HN 0.407 nan 8.190 nan 0.000 0.449 126 E N 0.338 120.533 120.200 -0.009 0.000 2.110 126 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 126 E C 2.288 178.883 176.600 -0.007 0.000 0.988 126 E CA 1.436 57.833 56.400 -0.006 0.000 0.804 126 E CB -0.484 29.212 29.700 -0.006 0.000 0.745 126 E HN 0.574 nan 8.360 nan 0.000 0.458 127 A N 0.895 123.708 122.820 -0.011 0.000 2.125 127 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 127 A C 1.733 179.310 177.584 -0.012 0.000 1.156 127 A CA 0.988 53.017 52.037 -0.012 0.000 0.671 127 A CB -0.037 18.953 19.000 -0.017 0.000 0.794 127 A HN 0.050 nan 8.150 nan 0.000 0.459 128 Q N -0.953 118.840 119.800 -0.011 0.000 2.220 128 Q HA 0.103 4.443 4.340 -0.000 0.000 0.205 128 Q C 1.565 177.563 176.000 -0.002 0.000 0.865 128 Q CA 0.078 55.876 55.803 -0.008 0.000 0.960 128 Q CB 0.057 28.789 28.738 -0.010 0.000 1.097 128 Q HN 0.832 nan 8.270 nan 0.000 0.493 129 R N 1.418 121.918 120.500 -0.002 0.000 2.119 129 R HA -0.229 4.111 4.340 -0.000 0.000 0.246 129 R C 0.880 177.181 176.300 0.002 0.000 1.146 129 R CA 1.962 58.063 56.100 0.002 0.000 0.962 129 R CB 0.349 30.649 30.300 0.002 0.000 0.863 129 R HN 0.065 nan 8.270 nan 0.000 0.442 130 E N -0.085 120.115 120.200 0.000 0.000 2.072 130 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 130 E C 2.018 178.619 176.600 0.002 0.000 0.982 130 E CA 1.175 57.576 56.400 0.000 0.000 0.803 130 E CB -0.239 29.461 29.700 -0.001 0.000 0.755 130 E HN 0.318 nan 8.360 nan 0.000 0.453 131 R N 0.578 121.080 120.500 0.003 0.000 2.083 131 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 131 R C 2.175 178.480 176.300 0.008 0.000 1.137 131 R CA 1.497 57.600 56.100 0.006 0.000 0.951 131 R CB -0.327 29.977 30.300 0.006 0.000 0.851 131 R HN 0.194 nan 8.270 nan 0.000 0.434 132 I N 0.451 121.027 120.570 0.009 0.000 2.202 132 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 132 I C 2.533 178.656 176.117 0.010 0.000 1.091 132 I CA 1.211 62.518 61.300 0.013 0.000 1.368 132 I CB -0.382 37.627 38.000 0.014 0.000 1.058 132 I HN 0.299 nan 8.210 nan 0.000 0.410 133 A N 0.548 123.372 122.820 0.006 0.000 2.024 133 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 133 A C 1.796 179.379 177.584 -0.001 0.000 1.164 133 A CA 1.851 53.890 52.037 0.002 0.000 0.643 133 A CB -0.527 18.473 19.000 0.001 0.000 0.806 133 A HN 0.414 nan 8.150 nan 0.000 0.451 134 N N -0.527 118.173 118.700 0.001 0.000 2.280 134 N HA 0.300 5.040 4.740 -0.000 0.000 0.192 134 N C 0.201 175.711 175.510 -0.000 0.000 1.109 134 N CA 0.675 53.725 53.050 -0.001 0.000 0.855 134 N CB 0.086 38.573 38.487 -0.000 0.000 0.974 134 N HN 0.456 nan 8.380 nan 0.000 0.482 135 A N -0.465 122.356 122.820 0.002 0.000 2.316 135 A HA 0.415 4.735 4.320 -0.000 0.000 0.284 135 A C 1.183 178.766 177.584 -0.001 0.000 1.115 135 A CA -0.329 51.709 52.037 0.003 0.000 0.812 135 A CB 0.529 19.534 19.000 0.009 0.000 1.064 135 A HN 0.183 nan 8.150 nan 0.000 0.489 136 S N 0.237 115.934 115.700 -0.004 0.000 2.428 136 S HA 0.316 4.786 4.470 -0.000 0.000 0.230 136 S C 0.784 175.381 174.600 -0.004 0.000 1.014 136 S CA 1.050 59.246 58.200 -0.008 0.000 0.957 136 S CB -0.151 63.041 63.200 -0.013 0.000 0.784 136 S HN 1.342 nan 8.310 nan 0.000 0.499 137 A N 0.438 123.257 122.820 -0.001 0.000 2.594 137 A HA 0.731 5.051 4.320 -0.000 0.000 0.295 137 A C -1.891 175.700 177.584 0.011 0.000 1.071 137 A CA -0.690 51.349 52.037 0.004 0.000 0.685 137 A CB 1.209 20.207 19.000 -0.004 0.000 1.285 137 A HN 0.209 nan 8.150 nan 0.000 0.405 138 L N 1.552 122.785 121.223 0.017 0.000 2.372 138 L HA 0.805 5.145 4.340 -0.000 0.000 0.274 138 L C -1.609 175.276 176.870 0.024 0.000 0.988 138 L CA -0.575 54.280 54.840 0.025 0.000 0.833 138 L CB 1.502 43.579 42.059 0.029 0.000 1.236 138 L HN 0.754 nan 8.230 nan 0.000 0.410 139 L N 6.156 127.394 121.223 0.025 0.000 2.307 139 L HA 0.787 5.127 4.340 -0.000 0.000 0.284 139 L C -1.019 175.872 176.870 0.036 0.000 1.023 139 L CA -0.059 54.795 54.840 0.022 0.000 0.810 139 L CB 1.357 43.419 42.059 0.006 0.000 1.231 139 L HN 0.766 nan 8.230 nan 0.000 0.423 140 M N 3.571 123.191 119.600 0.034 0.000 2.618 140 M HA 0.549 5.029 4.480 -0.000 0.000 0.281 140 M C -1.022 175.299 176.300 0.035 0.000 1.267 140 M CA -0.757 54.568 55.300 0.041 0.000 0.845 140 M CB 2.451 35.073 32.600 0.037 0.000 1.732 140 M HN 0.533 nan 8.290 nan 0.000 0.461 141 Q N 0.402 120.224 119.800 0.038 0.000 3.105 141 Q HA 0.687 5.027 4.340 -0.000 0.000 0.280 141 Q C -0.581 175.433 176.000 0.024 0.000 1.042 141 Q CA -0.787 55.034 55.803 0.030 0.000 0.857 141 Q CB 1.088 29.845 28.738 0.032 0.000 1.468 141 Q HN 0.671 nan 8.270 nan 0.000 0.494 142 L N 0.832 122.066 121.223 0.018 0.000 3.141 142 L HA 0.361 4.701 4.340 -0.000 0.000 0.267 142 L C 0.065 176.940 176.870 0.008 0.000 1.281 142 L CA 0.180 55.027 54.840 0.011 0.000 1.037 142 L CB 0.289 42.351 42.059 0.006 0.000 1.407 142 L HN 0.589 nan 8.230 nan 0.000 0.566 143 E N -0.550 119.658 120.200 0.014 0.000 2.501 143 E HA 0.197 4.547 4.350 -0.000 0.000 0.200 143 E C 0.113 176.715 176.600 0.003 0.000 1.016 143 E CA -0.142 56.263 56.400 0.008 0.000 0.921 143 E CB 0.831 30.541 29.700 0.016 0.000 1.034 143 E HN 0.260 nan 8.360 nan 0.000 0.468 144 S N 1.378 117.081 115.700 0.005 0.000 2.704 144 S HA 0.434 4.904 4.470 -0.000 0.000 0.305 144 S C -2.539 172.056 174.600 -0.009 0.000 1.107 144 S CA -1.386 56.812 58.200 -0.004 0.000 0.993 144 S CB 1.264 64.466 63.200 0.004 0.000 1.110 144 S HN -0.065 nan 8.310 nan 0.000 0.534 145 P HA 0.122 nan 4.420 nan 0.000 0.267 145 P C 0.686 177.980 177.300 -0.010 0.000 1.209 145 P CA -0.280 62.811 63.100 -0.015 0.000 0.763 145 P CB 0.292 31.980 31.700 -0.019 0.000 0.816 146 L N 4.332 125.549 121.223 -0.009 0.000 2.129 146 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 146 L C 1.659 178.525 176.870 -0.007 0.000 1.087 146 L CA 2.090 56.926 54.840 -0.007 0.000 0.757 146 L CB -0.799 41.255 42.059 -0.007 0.000 0.896 146 L HN 0.296 nan 8.230 nan 0.000 0.434 147 E N -1.068 119.126 120.200 -0.008 0.000 2.110 147 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 147 E C 2.207 178.802 176.600 -0.007 0.000 0.988 147 E CA 1.382 57.777 56.400 -0.008 0.000 0.804 147 E CB -0.413 29.282 29.700 -0.009 0.000 0.745 147 E HN 0.451 nan 8.360 nan 0.000 0.458 148 S N 0.034 115.729 115.700 -0.008 0.000 2.371 148 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 148 S C 2.131 176.730 174.600 -0.002 0.000 1.029 148 S CA 0.919 59.114 58.200 -0.007 0.000 0.978 148 S CB -0.211 62.982 63.200 -0.012 0.000 0.833 148 S HN 0.066 nan 8.310 nan 0.000 0.466 149 V N 1.926 121.840 119.914 0.000 0.000 2.407 149 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 149 V C 2.317 178.413 176.094 0.004 0.000 1.055 149 V CA 1.975 64.278 62.300 0.006 0.000 1.049 149 V CB -0.610 31.217 31.823 0.006 0.000 0.662 149 V HN 0.449 nan 8.190 nan 0.000 0.455 150 M N 1.007 120.606 119.600 -0.001 0.000 2.132 150 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 150 M C 2.044 178.344 176.300 -0.000 0.000 1.065 150 M CA 2.189 57.487 55.300 -0.004 0.000 1.122 150 M CB -0.622 31.973 32.600 -0.008 0.000 1.365 150 M HN 0.218 nan 8.290 nan 0.000 0.411 151 A N -0.153 122.668 122.820 0.001 0.000 1.933 151 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 151 A C 2.348 179.938 177.584 0.010 0.000 1.175 151 A CA 1.942 53.982 52.037 0.004 0.000 0.628 151 A CB -1.354 17.646 19.000 0.000 0.000 0.814 151 A HN 0.659 nan 8.150 nan 0.000 0.444 152 A N -0.201 122.625 122.820 0.011 0.000 1.897 152 A HA 0.255 4.575 4.320 -0.000 0.000 0.215 152 A C 2.513 180.113 177.584 0.027 0.000 1.181 152 A CA 1.803 53.850 52.037 0.017 0.000 0.620 152 A CB -1.067 17.944 19.000 0.017 0.000 0.821 152 A HN 1.035 nan 8.150 nan 0.000 0.443 153 A N 0.345 123.179 122.820 0.024 0.000 1.873 153 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 153 A C 2.131 179.746 177.584 0.052 0.000 1.193 153 A CA 2.023 54.079 52.037 0.031 0.000 0.629 153 A CB -0.561 18.445 19.000 0.010 0.000 0.826 153 A HN 0.506 nan 8.150 nan 0.000 0.447 154 K N -0.572 119.850 120.400 0.036 0.000 2.020 154 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 154 K C 1.943 178.592 176.600 0.083 0.000 1.050 154 K CA 1.774 58.095 56.287 0.056 0.000 0.929 154 K CB -0.619 31.900 32.500 0.031 0.000 0.714 154 K HN 0.591 nan 8.250 nan 0.000 0.443 155 I N 1.267 121.868 120.570 0.051 0.000 2.151 155 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 155 I C 2.642 178.788 176.117 0.049 0.000 1.080 155 I CA 1.483 62.808 61.300 0.042 0.000 1.339 155 I CB -0.513 37.502 38.000 0.026 0.000 1.039 155 I HN 0.184 nan 8.210 nan 0.000 0.409 156 A N -0.043 122.811 122.820 0.058 0.000 1.877 156 A HA -0.316 4.004 4.320 -0.000 0.000 0.216 156 A C 2.199 179.825 177.584 0.071 0.000 1.186 156 A CA 2.232 54.302 52.037 0.054 0.000 0.620 156 A CB -1.055 17.979 19.000 0.056 0.000 0.822 156 A HN 0.553 nan 8.150 nan 0.000 0.443 157 H N -0.129 118.944 119.070 0.005 0.000 2.319 157 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 157 H C 2.079 177.409 175.328 0.003 0.000 1.092 157 H CA 2.320 58.371 56.048 0.005 0.000 1.302 157 H CB -0.211 29.554 29.762 0.006 0.000 1.373 157 H HN 0.593 nan 8.280 nan 0.000 0.497 158 Q N -0.550 119.257 119.800 0.012 0.000 2.291 158 Q HA -0.032 4.308 4.340 -0.000 0.000 0.205 158 Q C 0.777 176.738 176.000 -0.065 0.000 0.970 158 Q CA 1.037 56.814 55.803 -0.043 0.000 0.876 158 Q CB 0.318 29.071 28.738 0.025 0.000 0.935 158 Q HN 0.555 nan 8.270 nan 0.000 0.455 159 N N 0.109 118.782 118.700 -0.045 0.000 2.282 159 N HA 0.112 4.852 4.740 -0.000 0.000 0.240 159 N C -0.814 174.669 175.510 -0.045 0.000 1.182 159 N CA 0.034 53.062 53.050 -0.037 0.000 0.874 159 N CB 0.822 39.300 38.487 -0.014 0.000 1.126 159 N HN 0.070 nan 8.380 nan 0.000 0.516 160 K N 0.219 120.574 120.400 -0.075 0.000 3.069 160 K HA -0.115 4.205 4.320 -0.000 0.000 0.267 160 K C -0.726 175.856 176.600 -0.030 0.000 1.082 160 K CA 0.587 56.835 56.287 -0.066 0.000 0.782 160 K CB -1.710 30.755 32.500 -0.059 0.000 1.230 160 K HN 0.116 nan 8.250 nan 0.000 0.488 161 T N 1.137 115.682 114.554 -0.015 0.000 2.771 161 T HA 0.406 4.756 4.350 -0.000 0.000 0.291 161 T C 0.725 175.434 174.700 0.016 0.000 0.954 161 T CA -0.633 61.468 62.100 0.002 0.000 1.045 161 T CB 0.774 69.648 68.868 0.010 0.000 0.917 161 T HN 0.117 nan 8.240 nan 0.000 0.484 162 I N 3.079 123.657 120.570 0.013 0.000 2.683 162 I HA 0.044 4.214 4.170 -0.000 0.000 0.286 162 I C 0.083 176.218 176.117 0.030 0.000 1.175 162 I CA 0.000 61.313 61.300 0.022 0.000 1.429 162 I CB 0.343 38.349 38.000 0.010 0.000 1.371 162 I HN 0.234 nan 8.210 nan 0.000 0.569 163 V N 6.987 126.926 119.914 0.042 0.000 2.328 163 V HA 0.549 4.669 4.120 -0.000 0.000 0.278 163 V C 0.339 176.453 176.094 0.033 0.000 1.021 163 V CA -0.467 61.858 62.300 0.040 0.000 0.838 163 V CB 1.122 32.977 31.823 0.052 0.000 0.999 163 V HN 0.833 nan 8.190 nan 0.000 0.447 164 A N 5.894 128.730 122.820 0.026 0.000 2.287 164 A HA 0.858 5.178 4.320 -0.000 0.000 0.317 164 A C -1.052 176.548 177.584 0.027 0.000 1.220 164 A CA -0.479 51.573 52.037 0.025 0.000 0.835 164 A CB 1.093 20.102 19.000 0.016 0.000 1.180 164 A HN 0.802 nan 8.150 nan 0.000 0.500 165 L N 2.940 124.180 121.223 0.029 0.000 2.349 165 L HA 0.412 4.752 4.340 -0.000 0.000 0.278 165 L C -0.339 176.550 176.870 0.032 0.000 0.996 165 L CA -0.304 54.552 54.840 0.027 0.000 0.825 165 L CB 1.484 43.555 42.059 0.021 0.000 1.243 165 L HN 0.745 nan 8.230 nan 0.000 0.412 166 N N 6.772 125.493 118.700 0.034 0.000 2.500 166 N HA 0.329 5.069 4.740 -0.000 0.000 0.236 166 N C -2.313 173.213 175.510 0.026 0.000 1.022 166 N CA -1.547 51.526 53.050 0.038 0.000 0.935 166 N CB 1.269 39.783 38.487 0.046 0.000 1.147 166 N HN 0.430 nan 8.380 nan 0.000 0.512 167 P HA 0.171 nan 4.420 nan 0.000 0.230 167 P C -1.343 175.962 177.300 0.009 0.000 1.791 167 P CA -0.034 63.073 63.100 0.012 0.000 1.020 167 P CB -0.055 31.649 31.700 0.007 0.000 1.977 168 A N 3.344 126.170 122.820 0.011 0.000 2.475 168 A HA 0.772 5.092 4.320 -0.000 0.000 0.301 168 A C -2.857 174.732 177.584 0.008 0.000 1.059 168 A CA -2.118 49.923 52.037 0.007 0.000 0.710 168 A CB 1.483 20.489 19.000 0.010 0.000 1.288 168 A HN 0.049 nan 8.150 nan 0.000 0.408 169 P HA 0.349 nan 4.420 nan 0.000 0.272 169 P C 0.175 177.472 177.300 -0.004 0.000 1.240 169 P CA 0.086 63.185 63.100 -0.002 0.000 0.791 169 P CB 0.571 32.268 31.700 -0.006 0.000 0.978 170 A N 2.632 125.448 122.820 -0.006 0.000 2.531 170 A HA 0.359 4.679 4.320 -0.000 0.000 0.236 170 A C 0.789 178.369 177.584 -0.007 0.000 1.062 170 A CA 0.581 52.614 52.037 -0.007 0.000 0.760 170 A CB -0.545 18.450 19.000 -0.009 0.000 0.995 170 A HN 0.783 nan 8.150 nan 0.000 0.501 171 R N 0.377 120.873 120.500 -0.007 0.000 2.979 171 R HA 0.395 4.735 4.340 -0.000 0.000 0.286 171 R C -1.302 174.994 176.300 -0.008 0.000 0.972 171 R CA -0.897 55.199 56.100 -0.008 0.000 0.828 171 R CB 0.473 30.769 30.300 -0.007 0.000 1.368 171 R HN 0.545 nan 8.270 nan 0.000 0.511 172 E N 0.510 120.705 120.200 -0.008 0.000 2.313 172 E HA 0.436 4.786 4.350 -0.000 0.000 0.272 172 E C -0.755 175.840 176.600 -0.008 0.000 1.038 172 E CA -0.585 55.810 56.400 -0.008 0.000 0.863 172 E CB 1.181 30.876 29.700 -0.008 0.000 1.060 172 E HN 0.260 nan 8.360 nan 0.000 0.402 173 L N 3.602 124.820 121.223 -0.008 0.000 2.354 173 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 173 L C -2.139 174.725 176.870 -0.010 0.000 1.005 173 L CA -2.263 52.572 54.840 -0.009 0.000 0.819 173 L CB 1.594 43.648 42.059 -0.008 0.000 1.311 173 L HN 0.438 nan 8.230 nan 0.000 0.423 174 P HA 0.099 nan 4.420 nan 0.000 0.275 174 P C -0.365 176.927 177.300 -0.014 0.000 1.227 174 P CA -0.313 62.780 63.100 -0.012 0.000 0.781 174 P CB 1.012 32.704 31.700 -0.012 0.000 0.906 175 D N 1.495 121.887 120.400 -0.014 0.000 2.158 175 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 175 D C 1.498 177.784 176.300 -0.023 0.000 0.995 175 D CA 1.420 55.411 54.000 -0.015 0.000 0.846 175 D CB -0.016 40.777 40.800 -0.012 0.000 0.941 175 D HN 0.649 nan 8.370 nan 0.000 0.456 176 E N 0.331 120.516 120.200 -0.025 0.000 2.118 176 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 176 E C 2.202 178.775 176.600 -0.044 0.000 0.992 176 E CA 0.665 57.045 56.400 -0.035 0.000 0.804 176 E CB -0.038 29.645 29.700 -0.028 0.000 0.741 176 E HN 0.166 nan 8.360 nan 0.000 0.458 177 L N 0.607 121.810 121.223 -0.033 0.000 2.068 177 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 177 L C 2.183 179.032 176.870 -0.034 0.000 1.076 177 L CA 1.296 56.117 54.840 -0.033 0.000 0.753 177 L CB -0.387 41.660 42.059 -0.020 0.000 0.910 177 L HN 0.180 nan 8.230 nan 0.000 0.439 178 L N 0.128 121.336 121.223 -0.025 0.000 2.189 178 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 178 L C 2.545 179.400 176.870 -0.025 0.000 1.097 178 L CA 1.155 55.983 54.840 -0.019 0.000 0.764 178 L CB -0.963 41.087 42.059 -0.014 0.000 0.900 178 L HN 0.467 nan 8.230 nan 0.000 0.436 179 A N -0.473 122.320 122.820 -0.045 0.000 2.119 179 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 179 A C 2.032 179.552 177.584 -0.106 0.000 1.152 179 A CA 0.762 52.763 52.037 -0.060 0.000 0.708 179 A CB -0.275 18.681 19.000 -0.072 0.000 0.805 179 A HN 0.432 nan 8.150 nan 0.000 0.460 180 L N -0.396 120.755 121.223 -0.120 0.000 2.585 180 L HA 0.136 4.476 4.340 -0.000 0.000 0.226 180 L C -0.097 176.766 176.870 -0.011 0.000 1.113 180 L CA -0.216 54.536 54.840 -0.146 0.000 0.876 180 L CB 0.243 42.212 42.059 -0.150 0.000 1.072 180 L HN 0.027 nan 8.230 nan 0.000 0.468 181 V N 0.785 120.699 119.914 0.000 0.000 2.498 181 V HA 0.046 4.166 4.120 -0.000 0.000 0.279 181 V C 0.680 176.800 176.094 0.044 0.000 1.048 181 V CA -0.055 62.259 62.300 0.024 0.000 0.967 181 V CB 1.569 33.401 31.823 0.015 0.000 0.988 181 V HN 0.188 nan 8.190 nan 0.000 0.473 182 D N 3.513 123.944 120.400 0.052 0.000 2.259 182 D HA 0.201 4.841 4.640 -0.000 0.000 0.216 182 D C 0.296 176.628 176.300 0.053 0.000 0.961 182 D CA 1.167 55.201 54.000 0.057 0.000 0.878 182 D CB 0.846 41.678 40.800 0.052 0.000 1.009 182 D HN 0.398 nan 8.370 nan 0.000 0.490 183 I N 1.184 121.780 120.570 0.043 0.000 2.499 183 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 183 I C -0.754 175.386 176.117 0.039 0.000 1.048 183 I CA -0.615 60.711 61.300 0.043 0.000 1.062 183 I CB 3.113 41.133 38.000 0.033 0.000 1.238 183 I HN -0.212 nan 8.210 nan 0.000 0.426 184 I N 4.825 125.418 120.570 0.039 0.000 2.569 184 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 184 I C -0.223 175.924 176.117 0.050 0.000 1.028 184 I CA -0.189 61.132 61.300 0.034 0.000 1.082 184 I CB 2.158 40.166 38.000 0.014 0.000 1.264 184 I HN 0.693 nan 8.210 nan 0.000 0.429 185 T N 3.556 118.145 114.554 0.059 0.000 3.466 185 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 185 T C -2.718 172.010 174.700 0.047 0.000 1.640 185 T CA -1.647 60.501 62.100 0.080 0.000 1.631 185 T CB 0.217 69.168 68.868 0.139 0.000 0.928 185 T HN 0.226 nan 8.240 nan 0.000 0.688 186 P HA 0.260 nan 4.420 nan 0.000 0.274 186 P C -0.147 177.152 177.300 -0.002 0.000 1.231 186 P CA -0.340 62.766 63.100 0.010 0.000 0.790 186 P CB 0.862 32.564 31.700 0.004 0.000 0.951 187 N N 0.652 119.344 118.700 -0.013 0.000 2.431 187 N HA 0.066 4.806 4.740 -0.000 0.000 0.289 187 N C 0.858 176.359 175.510 -0.017 0.000 1.277 187 N CA -0.183 52.853 53.050 -0.024 0.000 0.972 187 N CB -0.223 38.246 38.487 -0.030 0.000 1.143 187 N HN 0.325 nan 8.380 nan 0.000 0.578 188 E N -1.096 119.092 120.200 -0.020 0.000 2.072 188 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 188 E C 1.430 178.018 176.600 -0.020 0.000 0.982 188 E CA 1.624 58.011 56.400 -0.022 0.000 0.803 188 E CB -0.288 29.397 29.700 -0.025 0.000 0.755 188 E HN 0.636 nan 8.360 nan 0.000 0.453 189 T N 1.069 115.613 114.554 -0.018 0.000 2.684 189 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 189 T C 1.614 176.305 174.700 -0.015 0.000 1.036 189 T CA 1.602 63.693 62.100 -0.016 0.000 1.148 189 T CB -0.241 68.619 68.868 -0.014 0.000 0.863 189 T HN 0.201 nan 8.240 nan 0.000 0.436 190 E N 0.890 121.082 120.200 -0.013 0.000 2.110 190 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 190 E C 2.497 179.089 176.600 -0.012 0.000 0.988 190 E CA 0.939 57.333 56.400 -0.011 0.000 0.804 190 E CB -0.234 29.462 29.700 -0.007 0.000 0.745 190 E HN 0.470 nan 8.360 nan 0.000 0.458 191 A N 1.293 124.105 122.820 -0.014 0.000 1.902 191 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 191 A C 2.113 179.685 177.584 -0.020 0.000 1.181 191 A CA 1.853 53.880 52.037 -0.017 0.000 0.623 191 A CB -0.477 18.512 19.000 -0.018 0.000 0.818 191 A HN 0.243 nan 8.150 nan 0.000 0.443 192 E N -0.014 120.174 120.200 -0.021 0.000 2.051 192 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 192 E C 2.058 178.647 176.600 -0.018 0.000 0.991 192 E CA 1.703 58.090 56.400 -0.021 0.000 0.799 192 E CB -0.148 29.539 29.700 -0.021 0.000 0.748 192 E HN 0.297 nan 8.360 nan 0.000 0.449 193 K N 0.119 120.510 120.400 -0.015 0.000 2.147 193 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 193 K C 2.123 178.715 176.600 -0.013 0.000 1.049 193 K CA 0.996 57.275 56.287 -0.013 0.000 0.936 193 K CB -0.247 32.246 32.500 -0.012 0.000 0.722 193 K HN 0.299 nan 8.250 nan 0.000 0.446 194 L N 0.010 121.225 121.223 -0.014 0.000 2.179 194 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 194 L C 2.131 178.992 176.870 -0.016 0.000 1.096 194 L CA 1.573 56.405 54.840 -0.014 0.000 0.779 194 L CB -0.233 41.818 42.059 -0.015 0.000 0.922 194 L HN 0.215 nan 8.230 nan 0.000 0.443 195 T N -5.660 108.883 114.554 -0.018 0.000 2.969 195 T HA 0.298 4.648 4.350 -0.000 0.000 0.250 195 T C 1.437 176.127 174.700 -0.016 0.000 1.021 195 T CA 0.496 62.585 62.100 -0.018 0.000 1.003 195 T CB 0.965 69.819 68.868 -0.023 0.000 1.040 195 T HN 0.316 nan 8.240 nan 0.000 0.492 196 G N 1.592 110.382 108.800 -0.017 0.000 2.157 196 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.248 196 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.248 196 G C -0.057 174.831 174.900 -0.020 0.000 0.979 196 G CA 0.045 45.135 45.100 -0.016 0.000 0.650 196 G HN 0.645 nan 8.290 nan 0.000 0.529 197 I N 0.875 121.431 120.570 -0.024 0.000 2.355 197 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 197 I C 0.829 176.924 176.117 -0.036 0.000 0.999 197 I CA -1.036 60.245 61.300 -0.031 0.000 1.163 197 I CB 1.384 39.363 38.000 -0.036 0.000 1.316 197 I HN 0.043 nan 8.210 nan 0.000 0.454 198 R N 4.302 124.781 120.500 -0.035 0.000 2.522 198 R HA 0.262 4.602 4.340 -0.000 0.000 0.284 198 R C -0.975 175.294 176.300 -0.051 0.000 1.032 198 R CA 0.140 56.218 56.100 -0.037 0.000 1.049 198 R CB 0.596 30.877 30.300 -0.032 0.000 0.956 198 R HN 0.404 nan 8.270 nan 0.000 0.422 199 V N 4.757 124.640 119.914 -0.052 0.000 2.357 199 V HA 0.201 4.321 4.120 -0.000 0.000 0.284 199 V C 0.262 176.317 176.094 -0.065 0.000 1.018 199 V CA -0.135 62.121 62.300 -0.072 0.000 0.841 199 V CB 1.412 33.193 31.823 -0.070 0.000 0.991 199 V HN 0.953 nan 8.190 nan 0.000 0.437 200 E N 3.031 123.185 120.200 -0.077 0.000 2.633 200 E HA 0.171 4.521 4.350 -0.000 0.000 0.222 200 E C -0.143 176.414 176.600 -0.073 0.000 0.899 200 E CA -0.002 56.361 56.400 -0.062 0.000 1.292 200 E CB 0.986 30.656 29.700 -0.049 0.000 1.257 200 E HN 0.954 nan 8.360 nan 0.000 0.626 201 N N -1.398 117.237 118.700 -0.109 0.000 3.039 201 N HA 0.116 4.856 4.740 -0.000 0.000 0.257 201 N C -0.365 175.010 175.510 -0.226 0.000 1.497 201 N CA -0.532 52.443 53.050 -0.125 0.000 0.861 201 N CB 0.494 38.919 38.487 -0.103 0.000 1.479 201 N HN -0.362 nan 8.380 nan 0.000 0.547 202 D N -0.316 119.928 120.400 -0.260 0.000 2.144 202 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 202 D C 1.211 177.075 176.300 -0.727 0.000 0.984 202 D CA 1.385 55.067 54.000 -0.530 0.000 0.834 202 D CB 0.032 40.636 40.800 -0.327 0.000 0.955 202 D HN 0.758 nan 8.370 nan 0.000 0.465 203 E N 0.480 120.443 120.200 -0.395 0.000 2.028 203 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 203 E C 1.268 177.693 176.600 -0.292 0.000 0.988 203 E CA 1.162 57.380 56.400 -0.304 0.000 0.799 203 E CB 0.117 29.721 29.700 -0.160 0.000 0.755 203 E HN 0.070 nan 8.360 nan 0.000 0.447 204 D N 0.428 120.688 120.400 -0.234 0.000 2.172 204 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 204 D C 1.760 177.922 176.300 -0.231 0.000 0.999 204 D CA 1.515 55.406 54.000 -0.183 0.000 0.856 204 D CB -0.316 40.402 40.800 -0.138 0.000 0.934 204 D HN 0.342 nan 8.370 nan 0.000 0.453 205 A N 0.728 123.320 122.820 -0.381 0.000 1.968 205 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 205 A C 2.309 179.648 177.584 -0.408 0.000 1.169 205 A CA 1.678 53.476 52.037 -0.398 0.000 0.638 205 A CB -0.498 18.195 19.000 -0.511 0.000 0.812 205 A HN 0.221 nan 8.150 nan 0.000 0.446 206 A N 0.421 122.892 122.820 -0.582 0.000 1.933 206 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 206 A C 2.082 179.670 177.584 0.006 0.000 1.175 206 A CA 1.848 53.806 52.037 -0.131 0.000 0.628 206 A CB -0.408 18.544 19.000 -0.079 0.000 0.814 206 A HN 0.569 nan 8.150 nan 0.000 0.444 207 K N -0.267 120.093 120.400 -0.068 0.000 2.103 207 K HA 0.059 4.379 4.320 -0.000 0.000 0.204 207 K C 2.273 178.863 176.600 -0.017 0.000 1.052 207 K CA 1.010 57.282 56.287 -0.025 0.000 0.945 207 K CB -0.289 32.184 32.500 -0.045 0.000 0.722 207 K HN 0.411 nan 8.250 nan 0.000 0.443 208 A N 1.787 124.581 122.820 -0.043 0.000 1.898 208 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 208 A C 2.436 180.002 177.584 -0.030 0.000 1.181 208 A CA 1.584 53.600 52.037 -0.035 0.000 0.620 208 A CB -0.695 18.278 19.000 -0.045 0.000 0.819 208 A HN 0.296 nan 8.150 nan 0.000 0.442 209 A N -0.382 122.438 122.820 -0.001 0.000 1.908 209 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 209 A C 2.225 179.741 177.584 -0.114 0.000 1.181 209 A CA 2.019 54.024 52.037 -0.053 0.000 0.627 209 A CB -0.699 18.392 19.000 0.151 0.000 0.818 209 A HN 0.700 nan 8.150 nan 0.000 0.445 210 Q N -0.193 119.659 119.800 0.086 0.000 2.096 210 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 210 Q C 1.872 177.916 176.000 0.073 0.000 0.982 210 Q CA 2.181 58.083 55.803 0.164 0.000 0.850 210 Q CB -0.300 28.518 28.738 0.133 0.000 0.901 210 Q HN 0.390 nan 8.270 nan 0.000 0.422 211 V N 1.032 120.957 119.914 0.019 0.000 2.392 211 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 211 V C 2.291 178.375 176.094 -0.016 0.000 1.059 211 V CA 1.627 63.930 62.300 0.005 0.000 1.051 211 V CB -0.504 31.314 31.823 -0.008 0.000 0.658 211 V HN 0.363 nan 8.190 nan 0.000 0.455 212 L N -0.950 120.226 121.223 -0.078 0.000 2.072 212 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 212 L C 2.437 179.264 176.870 -0.072 0.000 1.079 212 L CA 1.677 56.456 54.840 -0.102 0.000 0.752 212 L CB -0.850 41.119 42.059 -0.150 0.000 0.906 212 L HN 0.368 nan 8.230 nan 0.000 0.436 213 H N -0.621 118.472 119.070 0.038 0.000 2.387 213 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 213 H C 2.040 177.383 175.328 0.026 0.000 1.099 213 H CA 1.044 57.112 56.048 0.034 0.000 1.315 213 H CB 0.187 29.974 29.762 0.041 0.000 1.380 213 H HN 0.232 nan 8.280 nan 0.000 0.513 214 E N 0.852 121.132 120.200 0.133 0.000 2.274 214 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 214 E C 1.471 178.101 176.600 0.051 0.000 0.996 214 E CA 0.714 57.161 56.400 0.080 0.000 0.840 214 E CB 0.075 29.809 29.700 0.058 0.000 0.772 214 E HN 0.511 nan 8.360 nan 0.000 0.491 215 K N -0.602 119.821 120.400 0.039 0.000 2.487 215 K HA 0.065 4.385 4.320 -0.000 0.000 0.192 215 K C 0.905 177.519 176.600 0.024 0.000 1.027 215 K CA 0.549 56.847 56.287 0.020 0.000 1.054 215 K CB 0.519 33.021 32.500 0.004 0.000 0.824 215 K HN 0.189 nan 8.250 nan 0.000 0.510 216 G N 1.460 110.290 108.800 0.049 0.000 2.168 216 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.197 216 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.197 216 G C 0.007 174.948 174.900 0.069 0.000 0.997 216 G CA -0.613 44.519 45.100 0.053 0.000 0.658 216 G HN 0.172 nan 8.290 nan 0.000 0.513 217 I N 1.471 122.090 120.570 0.081 0.000 2.301 217 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 217 I C 1.699 177.944 176.117 0.213 0.000 1.046 217 I CA -0.559 60.797 61.300 0.094 0.000 1.282 217 I CB 1.176 39.196 38.000 0.034 0.000 1.409 217 I HN 0.229 nan 8.210 nan 0.000 0.484 218 R N 4.024 124.624 120.500 0.167 0.000 2.066 218 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 218 R C 0.173 176.618 176.300 0.242 0.000 1.131 218 R CA 1.193 57.397 56.100 0.173 0.000 0.955 218 R CB 0.215 30.559 30.300 0.074 0.000 0.851 218 R HN 0.566 nan 8.270 nan 0.000 0.432 219 T N 1.401 116.060 114.554 0.176 0.000 2.770 219 T HA 0.442 4.792 4.350 -0.000 0.000 0.283 219 T C -1.200 173.576 174.700 0.126 0.000 0.988 219 T CA -0.605 61.593 62.100 0.163 0.000 0.957 219 T CB 2.084 70.999 68.868 0.079 0.000 0.930 219 T HN -0.104 nan 8.240 nan 0.000 0.443 220 V N 5.364 125.363 119.914 0.141 0.000 2.487 220 V HA 0.505 4.625 4.120 -0.000 0.000 0.298 220 V C -0.497 175.645 176.094 0.081 0.000 1.028 220 V CA -0.867 61.457 62.300 0.040 0.000 0.860 220 V CB 1.602 33.350 31.823 -0.125 0.000 0.991 220 V HN 0.741 nan 8.190 nan 0.000 0.427 221 L N 6.166 127.439 121.223 0.084 0.000 2.319 221 L HA 0.625 4.965 4.340 -0.000 0.000 0.281 221 L C -0.729 176.204 176.870 0.104 0.000 1.005 221 L CA -0.376 54.529 54.840 0.108 0.000 0.828 221 L CB 1.749 43.891 42.059 0.138 0.000 1.227 221 L HN 0.487 nan 8.230 nan 0.000 0.415 222 I N 2.591 123.245 120.570 0.140 0.000 2.339 222 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 222 I C 0.609 176.765 176.117 0.065 0.000 0.994 222 I CA -0.470 60.889 61.300 0.098 0.000 1.191 222 I CB 1.985 40.053 38.000 0.113 0.000 1.343 222 I HN 0.581 nan 8.210 nan 0.000 0.458 223 T N 4.514 119.057 114.554 -0.018 0.000 2.869 223 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 223 T C 0.375 175.057 174.700 -0.030 0.000 0.987 223 T CA -0.519 61.534 62.100 -0.077 0.000 1.109 223 T CB 1.102 69.854 68.868 -0.192 0.000 0.932 223 T HN 0.500 nan 8.240 nan 0.000 0.518 224 L N 2.263 123.477 121.223 -0.014 0.000 3.014 224 L HA 0.475 4.815 4.340 -0.000 0.000 0.263 224 L C 1.669 178.528 176.870 -0.019 0.000 1.207 224 L CA -0.261 54.577 54.840 -0.004 0.000 1.017 224 L CB -0.559 41.516 42.059 0.027 0.000 1.360 224 L HN 1.159 nan 8.230 nan 0.000 0.560 225 G N 1.422 110.201 108.800 -0.035 0.000 3.226 225 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.270 225 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.270 225 G C 0.902 175.781 174.900 -0.036 0.000 1.592 225 G CA 0.504 45.585 45.100 -0.032 0.000 1.055 225 G HN 0.355 nan 8.290 nan 0.000 0.582 226 S N 0.490 116.174 115.700 -0.028 0.000 2.503 226 S HA 0.221 4.691 4.470 -0.000 0.000 0.215 226 S C 1.825 176.396 174.600 -0.047 0.000 1.003 226 S CA 1.023 59.203 58.200 -0.033 0.000 0.910 226 S CB 0.132 63.322 63.200 -0.017 0.000 0.790 226 S HN 0.633 nan 8.310 nan 0.000 0.514 227 R N 1.472 121.953 120.500 -0.032 0.000 2.313 227 R HA 0.336 4.676 4.340 -0.000 0.000 0.199 227 R C 1.420 177.704 176.300 -0.028 0.000 0.958 227 R CA 0.453 56.539 56.100 -0.023 0.000 1.047 227 R CB -0.285 30.016 30.300 0.003 0.000 0.955 227 R HN 0.599 nan 8.270 nan 0.000 0.481 228 G N 0.418 109.183 108.800 -0.058 0.000 2.464 228 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 228 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 228 G C -1.032 173.918 174.900 0.083 0.000 1.186 228 G CA -0.329 44.744 45.100 -0.045 0.000 1.010 228 G HN 0.159 nan 8.290 nan 0.000 0.585 229 V N 0.889 120.908 119.914 0.176 0.000 2.925 229 V HA 0.732 4.852 4.120 -0.000 0.000 0.311 229 V C -1.100 175.125 176.094 0.218 0.000 1.104 229 V CA -0.657 61.734 62.300 0.152 0.000 0.954 229 V CB 1.990 33.873 31.823 0.100 0.000 1.022 229 V HN 1.207 nan 8.190 nan 0.000 0.427 230 W N 6.863 128.180 121.300 0.028 0.000 2.342 230 W HA 0.695 5.355 4.660 -0.000 0.000 0.310 230 W C -0.229 176.321 176.519 0.052 0.000 1.128 230 W CA -0.460 56.907 57.345 0.036 0.000 1.322 230 W CB 1.228 30.701 29.460 0.021 0.000 1.251 230 W HN 0.850 nan 8.180 nan 0.000 0.439 231 A N 4.615 127.232 122.820 -0.338 0.000 2.276 231 A HA 0.474 4.794 4.320 -0.000 0.000 0.300 231 A C -0.622 176.737 177.584 -0.376 0.000 1.235 231 A CA -0.237 51.654 52.037 -0.243 0.000 0.867 231 A CB 1.143 20.043 19.000 -0.167 0.000 1.137 231 A HN 0.443 nan 8.150 nan 0.000 0.527 232 S N 1.931 117.566 115.700 -0.108 0.000 2.614 232 S HA 0.568 5.038 4.470 -0.000 0.000 0.288 232 S C -1.149 173.541 174.600 0.151 0.000 1.137 232 S CA -0.394 57.816 58.200 0.017 0.000 0.992 232 S CB 1.033 64.402 63.200 0.282 0.000 1.026 232 S HN 0.727 nan 8.310 nan 0.000 0.486 233 V N 5.865 125.781 119.914 0.003 0.000 2.378 233 V HA 0.428 4.548 4.120 -0.000 0.000 0.288 233 V C 0.028 175.968 176.094 -0.257 0.000 1.016 233 V CA -0.978 61.287 62.300 -0.057 0.000 0.840 233 V CB 1.177 32.970 31.823 -0.050 0.000 0.994 233 V HN 1.005 nan 8.190 nan 0.000 0.431 234 N N 4.525 122.896 118.700 -0.548 0.000 2.718 234 N HA -0.238 4.502 4.740 -0.000 0.000 0.268 234 N C 1.326 176.560 175.510 -0.460 0.000 0.965 234 N CA 1.575 54.222 53.050 -0.671 0.000 0.817 234 N CB -0.689 37.639 38.487 -0.266 0.000 0.914 234 N HN 1.404 nan 8.380 nan 0.000 0.558 235 G N -0.560 107.933 108.800 -0.511 0.000 2.199 235 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 235 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 235 G C -0.067 174.836 174.900 0.004 0.000 0.982 235 G CA 0.458 45.513 45.100 -0.075 0.000 0.632 235 G HN 0.643 nan 8.290 nan 0.000 0.529 236 E N 0.884 121.050 120.200 -0.057 0.000 1.963 236 E HA 0.525 4.875 4.350 -0.000 0.000 0.274 236 E C 0.743 177.294 176.600 -0.081 0.000 1.061 236 E CA 0.122 56.498 56.400 -0.040 0.000 0.847 236 E CB -0.167 29.496 29.700 -0.062 0.000 1.083 236 E HN 0.467 nan 8.360 nan 0.000 0.402 237 G N 3.588 112.342 108.800 -0.076 0.000 2.432 237 G HA2 0.446 4.406 3.960 -0.000 0.000 0.331 237 G HA3 0.446 4.406 3.960 -0.000 0.000 0.331 237 G C -1.194 173.243 174.900 -0.770 0.000 1.170 237 G CA -0.568 44.271 45.100 -0.435 0.000 0.943 237 G HN 0.594 nan 8.290 nan 0.000 0.483 238 Q N 0.065 119.166 119.800 -1.165 0.000 2.418 238 Q HA 0.497 4.837 4.340 -0.000 0.000 0.282 238 Q C -0.934 174.556 176.000 -0.851 0.000 1.044 238 Q CA -1.116 54.138 55.803 -0.914 0.000 0.813 238 Q CB 2.199 30.725 28.738 -0.353 0.000 1.428 238 Q HN 0.498 nan 8.270 nan 0.000 0.402 239 R N 1.138 121.470 120.500 -0.281 0.000 2.347 239 R HA 0.370 4.710 4.340 -0.000 0.000 0.304 239 R C -1.073 175.237 176.300 0.016 0.000 1.072 239 R CA -0.149 56.003 56.100 0.086 0.000 0.980 239 R CB 0.772 31.266 30.300 0.323 0.000 0.986 239 R HN 0.523 nan 8.270 nan 0.000 0.448 240 V N 8.096 128.039 119.914 0.048 0.000 2.293 240 V HA 0.300 4.420 4.120 -0.000 0.000 0.275 240 V C -2.082 174.072 176.094 0.100 0.000 1.021 240 V CA -2.194 60.151 62.300 0.076 0.000 0.815 240 V CB 1.130 33.020 31.823 0.112 0.000 1.025 240 V HN 0.817 nan 8.190 nan 0.000 0.448 241 P HA 0.213 nan 4.420 nan 0.000 0.269 241 P C 0.543 177.507 177.300 -0.559 0.000 1.215 241 P CA 0.449 63.430 63.100 -0.198 0.000 0.780 241 P CB 0.800 32.399 31.700 -0.169 0.000 0.898 242 G N 0.534 108.877 108.800 -0.763 0.000 2.543 242 G HA2 0.504 4.464 3.960 -0.000 0.000 0.267 242 G HA3 0.504 4.464 3.960 -0.000 0.000 0.267 242 G C -1.264 173.208 174.900 -0.713 0.000 1.406 242 G CA -0.487 43.941 45.100 -1.120 0.000 1.048 242 G HN 0.312 nan 8.290 nan 0.000 0.548 243 F N 0.868 120.767 119.950 -0.084 0.000 2.359 243 F HA 0.443 4.970 4.527 -0.000 0.000 0.369 243 F C 0.350 176.189 175.800 0.065 0.000 1.084 243 F CA -0.952 57.091 58.000 0.071 0.000 1.096 243 F CB 1.221 40.394 39.000 0.287 0.000 1.335 243 F HN -0.066 nan 8.300 nan 0.000 0.457 244 R N 2.298 122.893 120.500 0.158 0.000 2.522 244 R HA 0.464 4.804 4.340 -0.000 0.000 0.284 244 R C -0.265 176.118 176.300 0.139 0.000 1.032 244 R CA -0.248 55.916 56.100 0.106 0.000 1.049 244 R CB 0.369 30.702 30.300 0.054 0.000 0.956 244 R HN 0.520 nan 8.270 nan 0.000 0.422 245 V N -0.524 119.455 119.914 0.110 0.000 3.188 245 V HA 0.367 4.487 4.120 -0.000 0.000 0.305 245 V C -0.642 175.490 176.094 0.063 0.000 1.232 245 V CA -1.351 61.010 62.300 0.102 0.000 1.043 245 V CB 2.240 34.144 31.823 0.135 0.000 1.068 245 V HN 0.545 nan 8.190 nan 0.000 0.439 246 Q N 2.128 121.958 119.800 0.051 0.000 2.276 246 Q HA 0.608 4.948 4.340 -0.000 0.000 0.267 246 Q C 0.196 176.214 176.000 0.030 0.000 1.135 246 Q CA 0.914 56.737 55.803 0.034 0.000 0.910 246 Q CB 0.352 29.105 28.738 0.026 0.000 1.271 246 Q HN 1.465 nan 8.270 nan 0.000 0.417 247 A N 3.430 126.265 122.820 0.026 0.000 2.425 247 A HA 0.349 4.669 4.320 -0.000 0.000 0.249 247 A C 0.650 178.244 177.584 0.016 0.000 1.084 247 A CA 0.086 52.136 52.037 0.022 0.000 0.781 247 A CB 0.611 19.625 19.000 0.023 0.000 1.019 247 A HN 1.114 nan 8.150 nan 0.000 0.490 248 V N -1.085 118.838 119.914 0.014 0.000 3.605 248 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 248 V C -0.136 175.969 176.094 0.019 0.000 1.386 248 V CA 0.949 63.255 62.300 0.010 0.000 1.053 248 V CB 0.040 31.864 31.823 0.002 0.000 0.857 248 V HN 0.866 nan 8.190 nan 0.000 0.436 249 D N 0.321 120.737 120.400 0.026 0.000 2.115 249 D HA 0.066 4.706 4.640 -0.000 0.000 0.161 249 D C 0.319 176.640 176.300 0.035 0.000 1.181 249 D CA 0.683 54.706 54.000 0.038 0.000 0.868 249 D CB 0.913 41.734 40.800 0.035 0.000 2.440 249 D HN 0.300 nan 8.370 nan 0.000 0.502 250 T N 0.975 115.556 114.554 0.045 0.000 3.188 250 T HA 0.305 4.655 4.350 -0.000 0.000 0.250 250 T C 1.360 176.080 174.700 0.034 0.000 1.077 250 T CA -0.243 61.879 62.100 0.037 0.000 0.967 250 T CB -0.512 68.379 68.868 0.038 0.000 1.006 250 T HN 0.375 nan 8.240 nan 0.000 0.552 251 I N 1.753 122.345 120.570 0.037 0.000 2.683 251 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 251 I C 1.359 177.487 176.117 0.018 0.000 1.175 251 I CA 0.570 61.889 61.300 0.031 0.000 1.429 251 I CB 0.279 38.299 38.000 0.033 0.000 1.371 251 I HN 0.429 nan 8.210 nan 0.000 0.569 252 A N 4.298 127.127 122.820 0.016 0.000 3.201 252 A HA -0.253 4.067 4.320 -0.000 0.000 0.260 252 A C 1.720 179.313 177.584 0.015 0.000 1.222 252 A CA 0.971 53.013 52.037 0.009 0.000 1.124 252 A CB -2.004 16.994 19.000 -0.003 0.000 1.155 252 A HN 1.013 nan 8.150 nan 0.000 0.924 253 A N -0.525 122.307 122.820 0.021 0.000 1.898 253 A HA 0.300 4.620 4.320 -0.000 0.000 0.216 253 A C 2.594 180.219 177.584 0.067 0.000 1.181 253 A CA 1.995 54.051 52.037 0.033 0.000 0.620 253 A CB -1.156 17.858 19.000 0.023 0.000 0.819 253 A HN 1.901 nan 8.150 nan 0.000 0.442 254 G N 0.006 108.834 108.800 0.046 0.000 2.421 254 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 254 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 254 G C 1.128 176.096 174.900 0.114 0.000 1.171 254 G CA 1.175 46.315 45.100 0.066 0.000 0.775 254 G HN 0.439 nan 8.290 nan 0.000 0.543 255 D N 0.423 120.858 120.400 0.058 0.000 2.116 255 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 255 D C 2.686 179.002 176.300 0.026 0.000 0.998 255 D CA 1.719 55.738 54.000 0.032 0.000 0.836 255 D CB -0.727 40.074 40.800 0.000 0.000 0.951 255 D HN 0.235 nan 8.370 nan 0.000 0.449 256 T N 0.474 115.044 114.554 0.026 0.000 2.746 256 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 256 T C 1.727 176.441 174.700 0.023 0.000 1.039 256 T CA 0.656 62.750 62.100 -0.009 0.000 1.142 256 T CB -0.506 68.350 68.868 -0.020 0.000 0.866 256 T HN 0.126 nan 8.240 nan 0.000 0.444 257 F N 2.493 122.414 119.950 -0.049 0.000 2.095 257 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 257 F C 1.929 177.710 175.800 -0.031 0.000 1.104 257 F CA 1.544 59.520 58.000 -0.040 0.000 1.232 257 F CB -0.486 38.499 39.000 -0.025 0.000 0.987 257 F HN 0.136 nan 8.300 nan 0.000 0.475 258 N N -0.245 118.516 118.700 0.102 0.000 2.188 258 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 258 N C 2.071 177.536 175.510 -0.075 0.000 1.018 258 N CA 1.228 54.281 53.050 0.005 0.000 0.858 258 N CB -0.718 37.815 38.487 0.078 0.000 0.989 258 N HN 0.427 nan 8.380 nan 0.000 0.426 259 G N 0.300 109.061 108.800 -0.065 0.000 2.404 259 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 259 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 259 G C 1.554 176.418 174.900 -0.060 0.000 1.174 259 G CA 0.785 45.841 45.100 -0.073 0.000 0.780 259 G HN 0.380 nan 8.290 nan 0.000 0.537 260 A N 0.425 123.208 122.820 -0.062 0.000 1.933 260 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 260 A C 2.352 179.974 177.584 0.062 0.000 1.175 260 A CA 1.670 53.745 52.037 0.063 0.000 0.628 260 A CB -0.415 18.563 19.000 -0.037 0.000 0.814 260 A HN 0.493 nan 8.150 nan 0.000 0.444 261 L N 0.068 121.186 121.223 -0.175 0.000 1.994 261 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 261 L C 2.064 178.858 176.870 -0.126 0.000 1.071 261 L CA 1.931 56.632 54.840 -0.233 0.000 0.745 261 L CB -0.408 41.358 42.059 -0.487 0.000 0.892 261 L HN 0.333 nan 8.230 nan 0.000 0.431 262 I N -0.432 120.077 120.570 -0.101 0.000 2.286 262 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 262 I C 2.412 178.486 176.117 -0.073 0.000 1.115 262 I CA 1.595 62.852 61.300 -0.072 0.000 1.392 262 I CB -2.187 35.783 38.000 -0.050 0.000 1.065 262 I HN 0.321 nan 8.210 nan 0.000 0.418 263 T N 1.538 116.056 114.554 -0.061 0.000 2.684 263 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 263 T C 2.071 176.665 174.700 -0.176 0.000 1.036 263 T CA 1.802 63.853 62.100 -0.080 0.000 1.148 263 T CB -0.257 68.598 68.868 -0.021 0.000 0.863 263 T HN 0.486 nan 8.240 nan 0.000 0.436 264 A N 0.900 123.572 122.820 -0.246 0.000 1.897 264 A HA 0.098 4.418 4.320 -0.000 0.000 0.215 264 A C 2.303 179.758 177.584 -0.215 0.000 1.181 264 A CA 0.993 52.795 52.037 -0.391 0.000 0.620 264 A CB -0.754 17.979 19.000 -0.445 0.000 0.821 264 A HN 0.463 nan 8.150 nan 0.000 0.443 265 L N -0.641 120.497 121.223 -0.142 0.000 2.083 265 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 265 L C 2.335 179.153 176.870 -0.086 0.000 1.083 265 L CA 0.971 55.753 54.840 -0.098 0.000 0.752 265 L CB -0.440 41.576 42.059 -0.073 0.000 0.899 265 L HN 0.350 nan 8.230 nan 0.000 0.433 266 L N -0.623 120.548 121.223 -0.087 0.000 2.465 266 L HA -0.126 4.214 4.340 -0.000 0.000 0.224 266 L C 1.813 178.636 176.870 -0.078 0.000 1.145 266 L CA 0.714 55.513 54.840 -0.068 0.000 0.834 266 L CB -0.252 41.773 42.059 -0.056 0.000 0.944 266 L HN 0.294 nan 8.230 nan 0.000 0.451 267 E N -0.020 120.113 120.200 -0.111 0.000 2.476 267 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 267 E C -0.010 176.534 176.600 -0.093 0.000 1.064 267 E CA -0.078 56.255 56.400 -0.110 0.000 0.866 267 E CB 0.290 29.893 29.700 -0.161 0.000 0.952 267 E HN 0.324 nan 8.360 nan 0.000 0.492 268 E N 0.088 120.239 120.200 -0.081 0.000 3.547 268 E HA -0.176 4.174 4.350 -0.000 0.000 0.309 268 E C -0.584 175.978 176.600 -0.064 0.000 0.855 268 E CA 0.436 56.799 56.400 -0.062 0.000 1.122 268 E CB -1.105 28.566 29.700 -0.048 0.000 1.569 268 E HN 0.212 nan 8.360 nan 0.000 0.429 269 K N 1.860 122.208 120.400 -0.086 0.000 2.322 269 K HA 0.215 4.535 4.320 -0.000 0.000 0.283 269 K C -2.083 174.484 176.600 -0.055 0.000 1.042 269 K CA -1.286 54.956 56.287 -0.075 0.000 0.958 269 K CB 0.508 32.944 32.500 -0.107 0.000 0.984 269 K HN -0.059 nan 8.250 nan 0.000 0.473 270 P HA -0.075 nan 4.420 nan 0.000 0.271 270 P C 0.654 177.937 177.300 -0.027 0.000 1.233 270 P CA -0.393 62.690 63.100 -0.029 0.000 0.789 270 P CB 0.587 32.275 31.700 -0.020 0.000 0.951 271 L N 3.333 124.539 121.223 -0.027 0.000 1.990 271 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 271 L C -0.862 175.998 176.870 -0.016 0.000 1.072 271 L CA 2.878 57.702 54.840 -0.027 0.000 0.755 271 L CB -2.452 39.590 42.059 -0.028 0.000 0.889 271 L HN 0.356 nan 8.230 nan 0.000 0.432 272 P HA -0.207 nan 4.420 nan 0.000 0.215 272 P C 1.470 178.795 177.300 0.042 0.000 1.157 272 P CA 1.701 64.808 63.100 0.012 0.000 0.868 272 P CB -0.037 31.667 31.700 0.006 0.000 0.788 273 E N -0.120 120.103 120.200 0.037 0.000 2.077 273 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 273 E C 1.953 178.597 176.600 0.074 0.000 0.989 273 E CA 1.272 57.711 56.400 0.066 0.000 0.800 273 E CB -0.634 29.090 29.700 0.039 0.000 0.746 273 E HN 0.046 nan 8.360 nan 0.000 0.452 274 A N 1.369 124.196 122.820 0.012 0.000 1.883 274 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 274 A C 2.221 179.804 177.584 -0.003 0.000 1.186 274 A CA 1.570 53.600 52.037 -0.011 0.000 0.624 274 A CB -0.759 18.199 19.000 -0.071 0.000 0.822 274 A HN 0.388 nan 8.150 nan 0.000 0.444 275 I N -1.204 119.344 120.570 -0.036 0.000 2.194 275 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 275 I C 2.776 178.873 176.117 -0.033 0.000 1.093 275 I CA 1.918 63.157 61.300 -0.101 0.000 1.355 275 I CB -0.403 37.583 38.000 -0.023 0.000 1.046 275 I HN 0.362 nan 8.210 nan 0.000 0.413 276 R N 0.485 121.074 120.500 0.148 0.000 2.073 276 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 276 R C 2.404 178.942 176.300 0.396 0.000 1.134 276 R CA 1.703 58.001 56.100 0.331 0.000 0.952 276 R CB -0.377 30.114 30.300 0.318 0.000 0.850 276 R HN 0.263 nan 8.270 nan 0.000 0.433 277 F N 0.667 120.692 119.950 0.125 0.000 2.202 277 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 277 F C 1.924 177.739 175.800 0.024 0.000 1.082 277 F CA 1.501 59.549 58.000 0.081 0.000 1.313 277 F CB -0.187 38.817 39.000 0.006 0.000 1.024 277 F HN 0.077 nan 8.300 nan 0.000 0.495 278 A N -0.722 122.104 122.820 0.010 0.000 1.930 278 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 278 A C 2.037 179.626 177.584 0.008 0.000 1.176 278 A CA 1.342 53.223 52.037 -0.260 0.000 0.632 278 A CB -1.092 17.369 19.000 -0.899 0.000 0.819 278 A HN 0.509 nan 8.150 nan 0.000 0.445 279 H N 0.067 119.278 119.070 0.236 0.000 2.352 279 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 279 H C 2.493 177.974 175.328 0.255 0.000 1.097 279 H CA 1.393 57.642 56.048 0.335 0.000 1.311 279 H CB -0.520 29.407 29.762 0.275 0.000 1.377 279 H HN 0.501 nan 8.280 nan 0.000 0.504 280 A N 0.770 123.776 122.820 0.310 0.000 1.930 280 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 280 A C 2.682 179.998 177.584 -0.445 0.000 1.175 280 A CA 1.531 53.478 52.037 -0.150 0.000 0.627 280 A CB -0.695 18.253 19.000 -0.087 0.000 0.815 280 A HN 0.429 nan 8.150 nan 0.000 0.443 281 A N -0.080 122.536 122.820 -0.339 0.000 1.898 281 A HA 0.199 4.519 4.320 -0.000 0.000 0.216 281 A C 2.479 179.942 177.584 -0.201 0.000 1.181 281 A CA 1.929 53.761 52.037 -0.340 0.000 0.620 281 A CB -0.937 17.837 19.000 -0.376 0.000 0.819 281 A HN 0.996 nan 8.150 nan 0.000 0.442 282 A N -0.133 122.655 122.820 -0.055 0.000 1.930 282 A HA 0.199 4.519 4.320 -0.000 0.000 0.217 282 A C 2.484 180.040 177.584 -0.046 0.000 1.175 282 A CA 1.926 53.974 52.037 0.019 0.000 0.627 282 A CB -0.959 18.152 19.000 0.185 0.000 0.815 282 A HN 1.010 nan 8.150 nan 0.000 0.443 283 A N 0.243 123.003 122.820 -0.100 0.000 1.883 283 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 283 A C 2.098 179.560 177.584 -0.204 0.000 1.186 283 A CA 1.618 53.574 52.037 -0.136 0.000 0.624 283 A CB -0.677 18.202 19.000 -0.201 0.000 0.822 283 A HN 0.508 nan 8.150 nan 0.000 0.444 284 I N -0.140 120.212 120.570 -0.363 0.000 2.208 284 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 284 I C 2.941 178.988 176.117 -0.116 0.000 1.097 284 I CA 1.119 62.281 61.300 -0.231 0.000 1.363 284 I CB -0.383 37.461 38.000 -0.261 0.000 1.051 284 I HN 0.354 nan 8.210 nan 0.000 0.413 285 A N 0.734 123.488 122.820 -0.111 0.000 1.933 285 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 285 A C 2.350 179.914 177.584 -0.033 0.000 1.175 285 A CA 1.978 53.976 52.037 -0.065 0.000 0.628 285 A CB -1.048 17.918 19.000 -0.057 0.000 0.814 285 A HN 0.405 nan 8.150 nan 0.000 0.444 286 V N -1.941 117.958 119.914 -0.026 0.000 3.141 286 V HA -0.068 4.052 4.120 -0.000 0.000 0.265 286 V C 1.961 178.055 176.094 0.001 0.000 1.126 286 V CA 2.039 64.338 62.300 -0.003 0.000 1.141 286 V CB -1.659 30.169 31.823 0.009 0.000 0.743 286 V HN 0.673 nan 8.190 nan 0.000 0.492 287 T N -2.127 112.423 114.554 -0.007 0.000 3.129 287 T HA 0.283 4.633 4.350 -0.000 0.000 0.251 287 T C 0.755 175.456 174.700 0.002 0.000 1.117 287 T CA -0.120 61.983 62.100 0.005 0.000 1.034 287 T CB -0.124 68.753 68.868 0.015 0.000 0.968 287 T HN 0.586 nan 8.240 nan 0.000 0.526 288 R N 0.580 121.079 120.500 -0.003 0.000 2.854 288 R HA 0.589 4.929 4.340 -0.000 0.000 0.271 288 R C -0.643 175.658 176.300 0.002 0.000 0.996 288 R CA -1.106 54.994 56.100 -0.001 0.000 0.961 288 R CB 1.141 31.440 30.300 -0.001 0.000 1.182 288 R HN -0.022 nan 8.270 nan 0.000 0.479 289 K N 1.039 121.441 120.400 0.004 0.000 2.185 289 K HA 0.409 4.729 4.320 -0.000 0.000 0.271 289 K C 0.536 177.144 176.600 0.013 0.000 1.013 289 K CA 0.346 56.642 56.287 0.015 0.000 0.943 289 K CB 1.104 33.616 32.500 0.020 0.000 0.998 289 K HN 0.834 nan 8.250 nan 0.000 0.468 290 G N 0.496 109.307 108.800 0.018 0.000 2.760 290 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.246 290 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.246 290 G C 0.382 175.281 174.900 -0.001 0.000 1.359 290 G CA -0.035 45.065 45.100 -0.000 0.000 0.861 290 G HN 0.636 nan 8.290 nan 0.000 0.541 291 A N -1.410 121.407 122.820 -0.005 0.000 2.179 291 A HA 0.389 4.709 4.320 -0.000 0.000 0.224 291 A C 2.189 179.769 177.584 -0.007 0.000 1.759 291 A CA 1.755 53.792 52.037 0.000 0.000 0.688 291 A CB -0.677 18.330 19.000 0.012 0.000 1.342 291 A HN 0.865 nan 8.150 nan 0.000 0.543 292 Q N -0.143 119.665 119.800 0.013 0.000 2.135 292 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 292 Q C -0.785 175.209 176.000 -0.010 0.000 0.981 292 Q CA 2.120 57.926 55.803 0.005 0.000 0.856 292 Q CB -1.025 27.753 28.738 0.066 0.000 0.902 292 Q HN 0.491 nan 8.270 nan 0.000 0.425 293 P HA -0.139 nan 4.420 nan 0.000 0.221 293 P C 0.975 178.273 177.300 -0.002 0.000 1.145 293 P CA 1.545 64.652 63.100 0.012 0.000 0.795 293 P CB 0.008 31.710 31.700 0.003 0.000 0.775 294 S N -2.187 113.500 115.700 -0.022 0.000 2.528 294 S HA 0.049 4.519 4.470 -0.000 0.000 0.219 294 S C 0.745 175.306 174.600 -0.065 0.000 0.985 294 S CA -0.162 58.021 58.200 -0.029 0.000 0.914 294 S CB -0.889 62.298 63.200 -0.022 0.000 0.776 294 S HN -0.151 nan 8.310 nan 0.000 0.526 295 V N 5.345 125.195 119.914 -0.106 0.000 2.470 295 V HA 0.323 4.442 4.120 -0.000 0.000 0.276 295 V C -1.859 174.084 176.094 -0.252 0.000 1.040 295 V CA -1.633 60.561 62.300 -0.177 0.000 1.008 295 V CB 0.558 32.251 31.823 -0.217 0.000 0.990 295 V HN 0.407 nan 8.190 nan 0.000 0.477 296 P HA 0.261 nan 4.420 nan 0.000 0.278 296 P C -1.035 176.122 177.300 -0.238 0.000 1.258 296 P CA -0.737 62.268 63.100 -0.159 0.000 0.811 296 P CB 0.970 32.605 31.700 -0.108 0.000 1.063 297 W N 0.522 121.805 121.300 -0.028 0.000 2.359 297 W HA 0.392 5.052 4.660 -0.000 0.000 0.344 297 W C 2.056 178.576 176.519 0.002 0.000 1.170 297 W CA -0.366 56.975 57.345 -0.006 0.000 1.296 297 W CB 0.188 29.650 29.460 0.004 0.000 1.197 297 W HN 0.374 nan 8.180 nan 0.000 0.618 298 R N 1.060 121.734 120.500 0.291 0.000 2.119 298 R HA -0.248 4.092 4.340 -0.000 0.000 0.246 298 R C 1.545 177.956 176.300 0.186 0.000 1.146 298 R CA 2.271 58.507 56.100 0.226 0.000 0.962 298 R CB -0.325 30.115 30.300 0.232 0.000 0.863 298 R HN 0.536 nan 8.270 nan 0.000 0.442 299 E N 0.264 120.570 120.200 0.177 0.000 2.110 299 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 299 E C 1.881 178.547 176.600 0.110 0.000 0.988 299 E CA 1.871 58.344 56.400 0.121 0.000 0.804 299 E CB -0.112 29.637 29.700 0.081 0.000 0.745 299 E HN 0.587 nan 8.360 nan 0.000 0.458 300 E N 0.297 120.573 120.200 0.127 0.000 2.047 300 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 300 E C 2.164 178.806 176.600 0.071 0.000 0.987 300 E CA 0.956 57.415 56.400 0.099 0.000 0.799 300 E CB -0.229 29.534 29.700 0.106 0.000 0.752 300 E HN 0.255 nan 8.360 nan 0.000 0.449 301 I N 1.836 122.417 120.570 0.019 0.000 2.264 301 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 301 I C 1.828 177.964 176.117 0.030 0.000 1.111 301 I CA 1.060 62.305 61.300 -0.092 0.000 1.382 301 I CB -0.182 37.640 38.000 -0.296 0.000 1.060 301 I HN 0.027 nan 8.210 nan 0.000 0.418 302 D N 0.688 121.151 120.400 0.105 0.000 2.224 302 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 302 D C 2.200 178.559 176.300 0.099 0.000 0.965 302 D CA 1.212 55.294 54.000 0.137 0.000 0.852 302 D CB 0.130 41.019 40.800 0.148 0.000 0.947 302 D HN 0.344 nan 8.370 nan 0.000 0.494 303 A N 0.205 123.080 122.820 0.091 0.000 1.930 303 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 303 A C 1.988 179.600 177.584 0.047 0.000 1.176 303 A CA 0.461 52.534 52.037 0.059 0.000 0.632 303 A CB -0.744 18.290 19.000 0.056 0.000 0.819 303 A HN 0.196 nan 8.150 nan 0.000 0.445 304 F N 0.152 120.057 119.950 -0.075 0.000 2.075 304 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 304 F C 1.869 177.557 175.800 -0.187 0.000 1.113 304 F CA 1.833 59.750 58.000 -0.137 0.000 1.218 304 F CB -0.274 38.630 39.000 -0.161 0.000 0.984 304 F HN 0.194 nan 8.300 nan 0.000 0.472 305 L N 0.673 121.974 121.223 0.131 0.000 2.083 305 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 305 L C 1.730 178.585 176.870 -0.025 0.000 1.083 305 L CA 1.826 56.692 54.840 0.043 0.000 0.752 305 L CB -1.113 41.035 42.059 0.148 0.000 0.899 305 L HN 0.082 nan 8.230 nan 0.000 0.433 306 D N -0.875 119.522 120.400 -0.006 0.000 2.378 306 D HA -0.099 4.541 4.640 -0.000 0.000 0.222 306 D C 1.985 178.247 176.300 -0.065 0.000 0.980 306 D CA 0.592 54.584 54.000 -0.013 0.000 0.907 306 D CB 0.071 40.875 40.800 0.007 0.000 0.899 306 D HN 0.384 nan 8.370 nan 0.000 0.527 307 R N -0.343 120.067 120.500 -0.150 0.000 2.308 307 R HA 0.136 4.476 4.340 -0.000 0.000 0.202 307 R C 1.424 177.604 176.300 -0.199 0.000 0.898 307 R CA 0.167 56.157 56.100 -0.184 0.000 1.046 307 R CB 0.524 30.667 30.300 -0.262 0.000 1.026 307 R HN 0.062 nan 8.270 nan 0.000 0.512 308 Q N 0.629 120.298 119.800 -0.219 0.000 2.352 308 Q HA 0.079 4.419 4.340 -0.000 0.000 0.212 308 Q C 0.102 176.125 176.000 0.038 0.000 0.888 308 Q CA 0.478 56.198 55.803 -0.138 0.000 0.934 308 Q CB 0.941 29.471 28.738 -0.345 0.000 1.093 308 Q HN 0.195 nan 8.270 nan 0.000 0.523 309 R N 0.000 120.518 120.500 0.030 0.000 2.786 309 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 309 R CA 0.000 56.144 56.100 0.074 0.000 0.921 309 R CB 0.000 30.385 30.300 0.141 0.000 0.687 309 R HN 0.000 nan 8.270 nan 0.000 0.535