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 2v3a_1_A DATA FIRST_RESID 4 DATA SEQUENCE RAPLVIIGTG LAGYNLAREW RKLDGETPLL MITADDGRSY SKPMLSTGFS DATA SEQUENCE KNKDADGLAM AEPGAMAEQL NARILTHTRV TGIDPGHQRI WIGEEEVRYR DATA SEQUENCE DLVLAWGAEP IRVPVEGDAQ DALYPINDLE DYARFRQAAA GKRRVLLLGA DATA SEQUENCE GLIGCEFAND LSSGGYQLDV VAPCEQVMPG LLHPAAAKAV QAGLEGLGVR DATA SEQUENCE FHLGPVLASL KKAGEGLEAH LSDGEVIPCD LVVSAVGLRP RTELAFAAGL DATA SEQUENCE AVNRGIVVDR SLRTSHANIY ALGDCAEVDG LNLLYVMPLM ACARALAQTL DATA SEQUENCE AGNPSQVAYG PMPVTVKTPA CPLVVSPPPR GMDGQWLVEG SGTDLKVLCR DATA SEQUENCE DTAGRVIGYA LTGAAVNEKL ALNKELPGLM A 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 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.325 176.300 0.041 0.000 0.893 4 R CA 0.000 56.123 56.100 0.038 0.000 0.921 4 R CB 0.000 30.318 30.300 0.030 0.000 0.687 5 A N 2.408 125.253 122.820 0.041 0.000 2.409 5 A HA 0.549 4.869 4.320 -0.000 0.000 0.267 5 A C -2.208 175.415 177.584 0.064 0.000 1.127 5 A CA -1.051 51.010 52.037 0.040 0.000 0.795 5 A CB -0.048 18.969 19.000 0.028 0.000 1.061 5 A HN -0.055 nan 8.150 nan 0.000 0.502 6 P HA 0.304 nan 4.420 nan 0.000 0.284 6 P C -0.544 176.778 177.300 0.036 0.000 1.258 6 P CA -0.650 62.490 63.100 0.067 0.000 0.824 6 P CB 1.078 32.813 31.700 0.059 0.000 1.038 7 L N 3.260 124.460 121.223 -0.039 0.000 2.455 7 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 7 L C -0.655 176.123 176.870 -0.154 0.000 1.174 7 L CA 0.223 54.937 54.840 -0.211 0.000 0.869 7 L CB 0.087 41.773 42.059 -0.622 0.000 1.130 7 L HN 0.079 nan 8.230 nan 0.000 0.474 8 V N 7.253 127.076 119.914 -0.153 0.000 2.444 8 V HA 0.440 4.559 4.120 -0.000 0.000 0.294 8 V C 0.038 176.017 176.094 -0.192 0.000 1.022 8 V CA -0.487 61.741 62.300 -0.120 0.000 0.850 8 V CB 1.514 33.309 31.823 -0.046 0.000 0.992 8 V HN 0.579 nan 8.190 nan 0.000 0.426 9 I N 5.939 126.418 120.570 -0.152 0.000 2.355 9 I HA 0.466 4.636 4.170 -0.000 0.000 0.288 9 I C -0.433 175.620 176.117 -0.107 0.000 0.999 9 I CA -0.413 60.791 61.300 -0.160 0.000 1.163 9 I CB 1.714 39.625 38.000 -0.149 0.000 1.316 9 I HN 0.445 nan 8.210 nan 0.000 0.454 10 I N 6.165 126.669 120.570 -0.110 0.000 2.291 10 I HA 0.570 4.740 4.170 -0.000 0.000 0.292 10 I C 0.583 176.699 176.117 -0.003 0.000 1.064 10 I CA -0.083 61.209 61.300 -0.013 0.000 1.269 10 I CB 0.783 38.840 38.000 0.095 0.000 1.418 10 I HN 0.826 nan 8.210 nan 0.000 0.485 11 G N 3.289 112.078 108.800 -0.017 0.000 2.931 11 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.675 11 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.675 11 G C -0.181 174.603 174.900 -0.193 0.000 1.339 11 G CA -0.397 44.677 45.100 -0.043 0.000 0.866 11 G HN 0.663 nan 8.290 nan 0.000 0.616 12 T N 0.026 114.420 114.554 -0.267 0.000 3.308 12 T HA 0.636 4.986 4.350 -0.000 0.000 0.270 12 T C 1.269 175.703 174.700 -0.443 0.000 0.992 12 T CA 0.865 62.556 62.100 -0.683 0.000 0.931 12 T CB 0.689 69.117 68.868 -0.733 0.000 1.142 12 T HN 1.599 nan 8.240 nan 0.000 0.525 13 G N 0.973 109.654 108.800 -0.198 0.000 2.494 13 G HA2 0.474 4.433 3.960 -0.000 0.000 0.270 13 G HA3 0.474 4.433 3.960 -0.000 0.000 0.270 13 G C 0.887 175.737 174.900 -0.084 0.000 1.423 13 G CA -0.885 44.150 45.100 -0.109 0.000 1.055 13 G HN 0.368 nan 8.290 nan 0.000 0.536 14 L N 0.067 121.241 121.223 -0.081 0.000 2.127 14 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 14 L C 3.288 180.153 176.870 -0.008 0.000 1.089 14 L CA 1.395 56.216 54.840 -0.031 0.000 0.757 14 L CB -0.450 41.572 42.059 -0.062 0.000 0.899 14 L HN 0.566 nan 8.230 nan 0.000 0.434 15 A N 0.283 123.082 122.820 -0.035 0.000 1.855 15 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 15 A C 2.429 179.989 177.584 -0.040 0.000 1.191 15 A CA 1.588 53.603 52.037 -0.036 0.000 0.613 15 A CB -1.330 17.642 19.000 -0.046 0.000 0.829 15 A HN 0.397 nan 8.150 nan 0.000 0.442 16 G N -1.498 107.254 108.800 -0.080 0.000 2.459 16 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 16 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 16 G C 1.492 176.385 174.900 -0.012 0.000 1.183 16 G CA 1.326 46.360 45.100 -0.111 0.000 0.776 16 G HN 0.455 nan 8.290 nan 0.000 0.552 17 Y N 1.156 121.453 120.300 -0.005 0.000 2.242 17 Y HA -0.024 4.526 4.550 -0.000 0.000 0.291 17 Y C 2.734 178.639 175.900 0.009 0.000 1.137 17 Y CA 1.066 59.171 58.100 0.008 0.000 1.181 17 Y CB -0.671 37.793 38.460 0.006 0.000 0.989 17 Y HN 0.213 nan 8.280 nan 0.000 0.527 18 N N -0.509 118.282 118.700 0.151 0.000 2.270 18 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 18 N C 1.703 177.258 175.510 0.075 0.000 1.016 18 N CA 0.698 53.799 53.050 0.086 0.000 0.870 18 N CB -0.330 38.183 38.487 0.042 0.000 0.979 18 N HN 0.193 nan 8.380 nan 0.000 0.431 19 L N 0.824 122.080 121.223 0.055 0.000 2.027 19 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 19 L C 2.053 178.993 176.870 0.116 0.000 1.074 19 L CA 1.432 56.297 54.840 0.042 0.000 0.745 19 L CB -0.808 41.228 42.059 -0.039 0.000 0.898 19 L HN 0.130 nan 8.230 nan 0.000 0.433 20 A N -0.229 122.670 122.820 0.133 0.000 1.892 20 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 20 A C 2.530 180.262 177.584 0.247 0.000 1.188 20 A CA 2.240 54.414 52.037 0.229 0.000 0.631 20 A CB -0.747 18.394 19.000 0.235 0.000 0.822 20 A HN 0.532 nan 8.150 nan 0.000 0.447 21 R N -0.744 119.854 120.500 0.163 0.000 2.073 21 R HA -0.125 4.214 4.340 -0.000 0.000 0.234 21 R C 2.139 178.492 176.300 0.088 0.000 1.134 21 R CA 1.571 57.731 56.100 0.100 0.000 0.952 21 R CB -0.186 30.151 30.300 0.061 0.000 0.850 21 R HN 0.503 nan 8.270 nan 0.000 0.433 22 E N -0.540 119.720 120.200 0.100 0.000 2.077 22 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 22 E C 1.569 178.240 176.600 0.118 0.000 0.989 22 E CA 1.092 57.542 56.400 0.082 0.000 0.800 22 E CB -0.371 29.373 29.700 0.074 0.000 0.746 22 E HN 0.491 nan 8.360 nan 0.000 0.452 23 W N 1.929 123.214 121.300 -0.025 0.000 2.388 23 W HA -0.087 4.573 4.660 -0.000 0.000 0.294 23 W C 1.951 178.457 176.519 -0.022 0.000 1.212 23 W CA 0.935 58.261 57.345 -0.033 0.000 1.271 23 W CB 0.123 29.556 29.460 -0.045 0.000 1.126 23 W HN -0.132 nan 8.180 nan 0.000 0.535 24 R N 0.802 121.272 120.500 -0.050 0.000 2.237 24 R HA -0.063 4.277 4.340 -0.000 0.000 0.219 24 R C 1.802 177.967 176.300 -0.224 0.000 1.080 24 R CA 1.011 56.961 56.100 -0.250 0.000 0.995 24 R CB -0.460 29.807 30.300 -0.055 0.000 0.875 24 R HN 0.338 nan 8.270 nan 0.000 0.462 25 K N 0.210 120.528 120.400 -0.136 0.000 2.283 25 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 25 K C 1.780 178.282 176.600 -0.163 0.000 1.048 25 K CA 0.864 57.081 56.287 -0.116 0.000 0.948 25 K CB 0.127 32.590 32.500 -0.060 0.000 0.742 25 K HN 0.162 nan 8.250 nan 0.000 0.458 26 L N -0.643 120.429 121.223 -0.253 0.000 2.537 26 L HA 0.139 4.478 4.340 -0.000 0.000 0.224 26 L C 0.263 176.924 176.870 -0.349 0.000 1.065 26 L CA 0.003 54.695 54.840 -0.247 0.000 0.860 26 L CB 0.443 42.394 42.059 -0.180 0.000 1.086 26 L HN 0.000 nan 8.230 nan 0.000 0.482 27 D N 0.017 120.047 120.400 -0.617 0.000 2.479 27 D HA 0.272 4.912 4.640 -0.000 0.000 0.246 27 D C 0.335 176.233 176.300 -0.670 0.000 1.336 27 D CA -0.214 53.396 54.000 -0.651 0.000 0.967 27 D CB 1.931 42.236 40.800 -0.825 0.000 1.275 27 D HN 0.053 nan 8.370 nan 0.000 0.577 28 G N 2.465 111.051 108.800 -0.357 0.000 3.233 28 G HA2 0.074 4.034 3.960 -0.000 0.000 0.234 28 G HA3 0.074 4.034 3.960 -0.000 0.000 0.234 28 G C 0.746 175.555 174.900 -0.152 0.000 1.137 28 G CA -0.019 44.934 45.100 -0.245 0.000 0.763 28 G HN 0.384 nan 8.290 nan 0.000 0.549 29 E N -0.147 119.967 120.200 -0.144 0.000 2.228 29 E HA 0.103 4.453 4.350 -0.000 0.000 0.197 29 E C 0.839 177.445 176.600 0.010 0.000 0.909 29 E CA 0.271 56.639 56.400 -0.054 0.000 0.911 29 E CB 0.007 29.679 29.700 -0.046 0.000 0.887 29 E HN 0.082 nan 8.360 nan 0.000 0.481 30 T N 4.068 118.648 114.554 0.043 0.000 2.902 30 T HA 0.095 4.445 4.350 -0.000 0.000 0.301 30 T C -2.403 172.441 174.700 0.241 0.000 1.012 30 T CA -0.859 61.353 62.100 0.186 0.000 1.151 30 T CB 0.427 69.519 68.868 0.375 0.000 0.946 30 T HN -0.106 nan 8.240 nan 0.000 0.542 31 P HA 0.241 nan 4.420 nan 0.000 0.267 31 P C -0.947 176.474 177.300 0.202 0.000 1.200 31 P CA -0.493 62.703 63.100 0.159 0.000 0.772 31 P CB 0.408 32.170 31.700 0.103 0.000 0.855 32 L N 3.943 125.272 121.223 0.176 0.000 2.409 32 L HA 0.624 4.963 4.340 -0.000 0.000 0.272 32 L C -1.734 175.190 176.870 0.089 0.000 0.980 32 L CA -0.758 54.170 54.840 0.148 0.000 0.826 32 L CB 1.666 43.888 42.059 0.273 0.000 1.268 32 L HN 0.131 nan 8.230 nan 0.000 0.407 33 L N 5.627 126.874 121.223 0.040 0.000 2.349 33 L HA 0.697 5.036 4.340 -0.000 0.000 0.278 33 L C -1.193 175.685 176.870 0.014 0.000 0.996 33 L CA -0.226 54.636 54.840 0.038 0.000 0.825 33 L CB 1.587 43.667 42.059 0.036 0.000 1.243 33 L HN 0.688 nan 8.230 nan 0.000 0.412 34 M N 6.223 125.843 119.600 0.033 0.000 2.364 34 M HA 0.547 5.027 4.480 -0.000 0.000 0.334 34 M C -1.026 175.286 176.300 0.019 0.000 1.107 34 M CA -0.426 54.880 55.300 0.009 0.000 0.988 34 M CB 1.978 34.590 32.600 0.021 0.000 1.673 34 M HN 0.433 nan 8.290 nan 0.000 0.441 35 I N 1.038 121.611 120.570 0.006 0.000 2.509 35 I HA 0.581 4.751 4.170 -0.000 0.000 0.293 35 I C -0.195 175.936 176.117 0.023 0.000 1.020 35 I CA -0.527 60.790 61.300 0.028 0.000 1.088 35 I CB 2.290 40.315 38.000 0.043 0.000 1.267 35 I HN 0.598 nan 8.210 nan 0.000 0.430 36 T N 3.060 117.636 114.554 0.037 0.000 2.956 36 T HA 0.573 4.923 4.350 -0.000 0.000 0.312 36 T C 0.417 175.148 174.700 0.052 0.000 1.151 36 T CA -0.115 62.009 62.100 0.039 0.000 1.024 36 T CB 1.785 70.665 68.868 0.020 0.000 1.140 36 T HN 0.666 nan 8.240 nan 0.000 0.473 37 A N 3.003 125.850 122.820 0.044 0.000 2.119 37 A HA 0.237 4.557 4.320 -0.000 0.000 0.216 37 A C 0.850 178.477 177.584 0.071 0.000 1.152 37 A CA 1.199 53.246 52.037 0.016 0.000 0.708 37 A CB -0.587 18.406 19.000 -0.013 0.000 0.805 37 A HN 0.913 nan 8.150 nan 0.000 0.460 38 D N -0.737 119.724 120.400 0.102 0.000 2.539 38 D HA 0.225 4.865 4.640 -0.000 0.000 0.280 38 D C 0.319 176.707 176.300 0.146 0.000 1.208 38 D CA 0.076 54.158 54.000 0.137 0.000 1.088 38 D CB -0.101 40.771 40.800 0.121 0.000 1.149 38 D HN 0.106 nan 8.370 nan 0.000 0.596 39 D N -2.740 117.734 120.400 0.123 0.000 2.363 39 D HA 0.126 4.766 4.640 -0.000 0.000 0.226 39 D C 1.600 177.975 176.300 0.125 0.000 1.020 39 D CA 0.626 54.689 54.000 0.105 0.000 0.892 39 D CB -0.394 40.444 40.800 0.063 0.000 0.900 39 D HN 0.767 nan 8.370 nan 0.000 0.531 40 G N 0.140 109.030 108.800 0.150 0.000 2.184 40 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.264 40 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.264 40 G C 0.326 175.402 174.900 0.293 0.000 0.975 40 G CA 0.068 45.285 45.100 0.195 0.000 0.642 40 G HN 0.480 nan 8.290 nan 0.000 0.536 41 R N 0.819 121.465 120.500 0.244 0.000 2.570 41 R HA 0.420 4.760 4.340 -0.000 0.000 0.277 41 R C 0.885 177.445 176.300 0.433 0.000 1.039 41 R CA 0.772 57.029 56.100 0.263 0.000 1.065 41 R CB 0.699 31.101 30.300 0.169 0.000 0.964 41 R HN 0.254 nan 8.270 nan 0.000 0.428 42 S N 3.666 119.567 115.700 0.335 0.000 2.474 42 S HA 0.351 4.821 4.470 -0.000 0.000 0.276 42 S C -1.108 173.672 174.600 0.299 0.000 1.227 42 S CA -0.534 57.849 58.200 0.304 0.000 1.050 42 S CB 0.117 63.301 63.200 -0.027 0.000 0.939 42 S HN 0.489 nan 8.310 nan 0.000 0.490 43 Y N 1.133 121.499 120.300 0.110 0.000 2.609 43 Y HA 0.651 5.201 4.550 -0.000 0.000 0.336 43 Y C -0.552 175.379 175.900 0.052 0.000 1.129 43 Y CA -1.155 56.980 58.100 0.059 0.000 1.040 43 Y CB 0.956 39.444 38.460 0.047 0.000 1.310 43 Y HN 0.371 nan 8.280 nan 0.000 0.460 44 S N 2.788 118.450 115.700 -0.063 0.000 2.415 44 S HA 0.162 4.632 4.470 -0.000 0.000 0.313 44 S C 0.964 175.493 174.600 -0.119 0.000 1.067 44 S CA -0.591 57.521 58.200 -0.147 0.000 1.099 44 S CB 0.320 63.494 63.200 -0.043 0.000 0.991 44 S HN 0.862 nan 8.310 nan 0.000 0.491 45 K N 5.083 125.292 120.400 -0.319 0.000 2.127 45 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 45 K C -1.121 175.484 176.600 0.007 0.000 1.047 45 K CA 1.780 58.035 56.287 -0.053 0.000 0.927 45 K CB -0.784 31.665 32.500 -0.086 0.000 0.716 45 K HN 0.449 nan 8.250 nan 0.000 0.450 46 P HA -0.165 nan 4.420 nan 0.000 0.220 46 P C 0.961 178.234 177.300 -0.044 0.000 1.144 46 P CA 1.466 64.543 63.100 -0.039 0.000 0.800 46 P CB -0.002 31.680 31.700 -0.030 0.000 0.772 47 M N -2.014 117.573 119.600 -0.021 0.000 2.492 47 M HA -0.020 4.460 4.480 -0.000 0.000 0.262 47 M C 1.757 178.011 176.300 -0.077 0.000 1.090 47 M CA 0.868 56.151 55.300 -0.027 0.000 1.110 47 M CB -0.545 32.054 32.600 -0.002 0.000 1.407 47 M HN -0.058 nan 8.290 nan 0.000 0.470 48 L N -0.188 120.975 121.223 -0.099 0.000 2.129 48 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 48 L C 2.245 179.122 176.870 0.012 0.000 1.087 48 L CA 1.542 56.243 54.840 -0.231 0.000 0.757 48 L CB -0.914 41.135 42.059 -0.016 0.000 0.896 48 L HN 0.403 nan 8.230 nan 0.000 0.434 49 S N -2.420 113.234 115.700 -0.076 0.000 2.660 49 S HA 0.025 4.494 4.470 -0.000 0.000 0.227 49 S C 1.186 175.821 174.600 0.058 0.000 0.948 49 S CA 0.275 58.398 58.200 -0.128 0.000 0.948 49 S CB -0.271 62.541 63.200 -0.646 0.000 0.779 49 S HN 0.512 nan 8.310 nan 0.000 0.487 50 T N -4.241 110.364 114.554 0.085 0.000 3.058 50 T HA 0.396 4.746 4.350 -0.000 0.000 0.278 50 T C 1.774 176.564 174.700 0.151 0.000 0.974 50 T CA 0.338 62.507 62.100 0.115 0.000 0.893 50 T CB -0.009 68.891 68.868 0.054 0.000 1.138 50 T HN 0.272 nan 8.240 nan 0.000 0.529 51 G N 1.704 110.602 108.800 0.163 0.000 2.529 51 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.219 51 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.219 51 G C 1.041 175.934 174.900 -0.011 0.000 1.177 51 G CA 1.030 46.188 45.100 0.096 0.000 0.773 51 G HN 0.512 nan 8.290 nan 0.000 0.573 52 F N 1.781 121.883 119.950 0.253 0.000 2.113 52 F HA -0.055 4.472 4.527 -0.000 0.000 0.297 52 F C 3.213 179.094 175.800 0.136 0.000 1.103 52 F CA 1.575 59.692 58.000 0.194 0.000 1.248 52 F CB -0.533 38.602 39.000 0.225 0.000 0.999 52 F HN 0.271 nan 8.300 nan 0.000 0.475 53 S N -0.230 115.656 115.700 0.310 0.000 2.419 53 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 53 S C 1.699 176.376 174.600 0.127 0.000 1.016 53 S CA 0.907 59.221 58.200 0.190 0.000 0.974 53 S CB -0.298 62.995 63.200 0.155 0.000 0.786 53 S HN 0.230 nan 8.310 nan 0.000 0.492 54 K N 1.177 121.643 120.400 0.110 0.000 2.374 54 K HA 0.195 4.514 4.320 -0.000 0.000 0.196 54 K C 0.364 176.997 176.600 0.056 0.000 1.023 54 K CA 0.113 56.442 56.287 0.069 0.000 1.103 54 K CB -0.535 31.996 32.500 0.052 0.000 0.848 54 K HN 0.458 nan 8.250 nan 0.000 0.528 55 N N 2.102 120.840 118.700 0.064 0.000 2.681 55 N HA -0.181 4.559 4.740 -0.000 0.000 0.259 55 N C -1.469 174.046 175.510 0.008 0.000 1.066 55 N CA 0.761 53.834 53.050 0.039 0.000 0.717 55 N CB -1.073 37.442 38.487 0.047 0.000 0.885 55 N HN 0.223 nan 8.380 nan 0.000 0.547 56 K N 0.620 121.008 120.400 -0.019 0.000 2.482 56 K HA 0.279 4.599 4.320 -0.000 0.000 0.251 56 K C -0.469 176.128 176.600 -0.004 0.000 0.936 56 K CA -0.890 55.395 56.287 -0.004 0.000 0.791 56 K CB 1.295 33.807 32.500 0.019 0.000 1.213 56 K HN 0.336 nan 8.250 nan 0.000 0.428 57 D N 1.096 121.506 120.400 0.016 0.000 2.511 57 D HA 0.251 4.890 4.640 -0.000 0.000 0.276 57 D C 0.966 177.366 176.300 0.167 0.000 1.220 57 D CA -0.520 53.520 54.000 0.066 0.000 1.077 57 D CB 0.385 41.176 40.800 -0.015 0.000 1.126 57 D HN 0.379 nan 8.370 nan 0.000 0.583 58 A N -0.352 122.590 122.820 0.204 0.000 1.877 58 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 58 A C 1.836 179.459 177.584 0.065 0.000 1.186 58 A CA 2.319 54.476 52.037 0.200 0.000 0.620 58 A CB -1.258 17.850 19.000 0.179 0.000 0.822 58 A HN 0.767 nan 8.150 nan 0.000 0.443 59 D N -0.860 119.567 120.400 0.046 0.000 2.117 59 D HA -0.051 4.588 4.640 -0.000 0.000 0.197 59 D C 1.933 178.253 176.300 0.034 0.000 0.987 59 D CA 1.561 55.579 54.000 0.029 0.000 0.829 59 D CB -0.385 40.427 40.800 0.020 0.000 0.961 59 D HN 0.329 nan 8.370 nan 0.000 0.460 60 G N -0.097 108.725 108.800 0.036 0.000 2.479 60 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 60 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 60 G C 1.531 176.453 174.900 0.037 0.000 1.115 60 G CA 0.495 45.614 45.100 0.033 0.000 0.757 60 G HN 0.348 nan 8.290 nan 0.000 0.560 61 L N 0.216 121.464 121.223 0.042 0.000 2.375 61 L HA 0.306 4.646 4.340 -0.000 0.000 0.215 61 L C 1.866 178.797 176.870 0.102 0.000 1.108 61 L CA -0.121 54.751 54.840 0.054 0.000 0.830 61 L CB -0.210 41.861 42.059 0.020 0.000 0.959 61 L HN 0.198 nan 8.230 nan 0.000 0.457 62 A N 0.020 122.891 122.820 0.085 0.000 2.462 62 A HA 0.257 4.577 4.320 -0.000 0.000 0.243 62 A C 0.997 178.638 177.584 0.094 0.000 1.076 62 A CA 0.008 52.117 52.037 0.121 0.000 0.773 62 A CB 0.517 19.566 19.000 0.081 0.000 1.010 62 A HN 0.256 nan 8.150 nan 0.000 0.493 63 M N 1.119 120.780 119.600 0.101 0.000 2.545 63 M HA 0.282 4.762 4.480 -0.000 0.000 0.264 63 M C 0.680 176.995 176.300 0.026 0.000 1.155 63 M CA 1.218 56.548 55.300 0.050 0.000 1.162 63 M CB 0.268 32.888 32.600 0.034 0.000 1.330 63 M HN 0.804 nan 8.290 nan 0.000 0.479 64 A N 0.139 122.978 122.820 0.031 0.000 2.574 64 A HA 0.566 4.885 4.320 -0.000 0.000 0.297 64 A C -0.993 176.613 177.584 0.037 0.000 1.062 64 A CA -0.912 51.129 52.037 0.007 0.000 0.686 64 A CB 1.356 20.326 19.000 -0.050 0.000 1.285 64 A HN 0.076 nan 8.150 nan 0.000 0.403 65 E N 1.841 122.061 120.200 0.034 0.000 2.345 65 E HA 0.253 4.603 4.350 -0.000 0.000 0.259 65 E C -1.497 175.140 176.600 0.061 0.000 1.117 65 E CA -1.588 54.845 56.400 0.054 0.000 0.913 65 E CB 0.665 30.389 29.700 0.041 0.000 1.057 65 E HN 0.424 nan 8.360 nan 0.000 0.432 66 P HA -0.156 nan 4.420 nan 0.000 0.215 66 P C 1.301 178.654 177.300 0.088 0.000 1.153 66 P CA 1.442 64.620 63.100 0.130 0.000 0.853 66 P CB 0.082 31.865 31.700 0.139 0.000 0.788 67 G N 0.688 109.525 108.800 0.063 0.000 2.446 67 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 67 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 67 G C 1.854 176.773 174.900 0.030 0.000 1.168 67 G CA 1.288 46.416 45.100 0.047 0.000 0.771 67 G HN 0.381 nan 8.290 nan 0.000 0.551 68 A N 0.417 123.247 122.820 0.017 0.000 1.933 68 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 68 A C 2.459 180.028 177.584 -0.025 0.000 1.175 68 A CA 1.972 54.006 52.037 -0.004 0.000 0.628 68 A CB -0.324 18.669 19.000 -0.011 0.000 0.814 68 A HN 0.296 nan 8.150 nan 0.000 0.444 69 M N -0.244 119.330 119.600 -0.044 0.000 2.080 69 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 69 M C 2.538 178.833 176.300 -0.007 0.000 1.068 69 M CA 1.693 56.931 55.300 -0.103 0.000 1.109 69 M CB -1.651 30.816 32.600 -0.221 0.000 1.342 69 M HN 0.481 nan 8.290 nan 0.000 0.405 70 A N -0.170 122.681 122.820 0.051 0.000 1.908 70 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 70 A C 2.165 179.778 177.584 0.049 0.000 1.181 70 A CA 2.134 54.215 52.037 0.074 0.000 0.627 70 A CB -0.812 18.234 19.000 0.077 0.000 0.818 70 A HN 0.618 nan 8.150 nan 0.000 0.445 71 E N -0.577 119.640 120.200 0.029 0.000 2.072 71 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 71 E C 2.197 178.803 176.600 0.009 0.000 0.985 71 E CA 1.203 57.614 56.400 0.018 0.000 0.801 71 E CB -0.175 29.532 29.700 0.011 0.000 0.750 71 E HN 0.745 nan 8.360 nan 0.000 0.452 72 Q N -0.099 119.698 119.800 -0.005 0.000 2.096 72 Q HA -0.126 4.213 4.340 -0.000 0.000 0.204 72 Q C 2.023 178.023 176.000 0.001 0.000 0.982 72 Q CA 1.342 57.135 55.803 -0.016 0.000 0.850 72 Q CB 0.048 28.758 28.738 -0.047 0.000 0.901 72 Q HN 0.355 nan 8.270 nan 0.000 0.422 73 L N 0.312 121.549 121.223 0.024 0.000 2.592 73 L HA 0.102 4.442 4.340 -0.000 0.000 0.227 73 L C 0.215 177.131 176.870 0.077 0.000 1.127 73 L CA -0.373 54.505 54.840 0.063 0.000 0.884 73 L CB -0.089 42.037 42.059 0.111 0.000 1.065 73 L HN 0.258 nan 8.230 nan 0.000 0.457 74 N N 1.248 119.980 118.700 0.054 0.000 2.705 74 N HA -0.204 4.536 4.740 -0.000 0.000 0.255 74 N C -0.548 175.016 175.510 0.090 0.000 1.008 74 N CA 0.773 53.856 53.050 0.056 0.000 0.742 74 N CB -0.464 38.044 38.487 0.035 0.000 0.906 74 N HN 0.459 nan 8.380 nan 0.000 0.541 75 A N 0.868 123.746 122.820 0.096 0.000 2.423 75 A HA 0.760 5.080 4.320 -0.000 0.000 0.304 75 A C -0.077 177.563 177.584 0.093 0.000 1.104 75 A CA -0.774 51.330 52.037 0.113 0.000 0.757 75 A CB 1.368 20.453 19.000 0.141 0.000 1.313 75 A HN 0.406 nan 8.150 nan 0.000 0.423 76 R N 1.028 121.580 120.500 0.087 0.000 2.312 76 R HA 0.638 4.978 4.340 -0.000 0.000 0.311 76 R C -1.490 174.860 176.300 0.084 0.000 1.004 76 R CA -0.276 55.871 56.100 0.077 0.000 0.902 76 R CB 0.440 30.779 30.300 0.065 0.000 1.073 76 R HN 0.653 nan 8.270 nan 0.000 0.457 77 I N 6.165 126.789 120.570 0.090 0.000 2.418 77 I HA 0.265 4.434 4.170 -0.000 0.000 0.287 77 I C -0.573 175.595 176.117 0.085 0.000 1.008 77 I CA -0.711 60.648 61.300 0.098 0.000 1.104 77 I CB 1.875 39.961 38.000 0.142 0.000 1.264 77 I HN 0.421 nan 8.210 nan 0.000 0.438 78 L N 6.215 127.482 121.223 0.074 0.000 2.272 78 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 78 L C 0.384 177.303 176.870 0.081 0.000 1.032 78 L CA -0.446 54.438 54.840 0.073 0.000 0.810 78 L CB 1.529 43.627 42.059 0.064 0.000 1.205 78 L HN 0.619 nan 8.230 nan 0.000 0.422 79 T N -2.091 112.523 114.554 0.099 0.000 2.952 79 T HA 0.309 4.658 4.350 -0.000 0.000 0.286 79 T C 0.360 175.165 174.700 0.175 0.000 1.024 79 T CA -0.533 61.641 62.100 0.122 0.000 1.029 79 T CB 1.157 70.097 68.868 0.121 0.000 1.094 79 T HN 0.739 nan 8.240 nan 0.000 0.515 80 H N -0.693 118.404 119.070 0.045 0.000 2.690 80 H HA -0.157 4.399 4.556 -0.000 0.000 0.309 80 H C -0.599 174.751 175.328 0.037 0.000 1.138 80 H CA 1.303 57.373 56.048 0.038 0.000 1.142 80 H CB -1.790 27.992 29.762 0.034 0.000 1.410 80 H HN 0.812 nan 8.280 nan 0.000 0.409 81 T N 1.191 115.752 114.554 0.011 0.000 2.815 81 T HA 0.387 4.737 4.350 -0.000 0.000 0.289 81 T C 0.041 174.733 174.700 -0.012 0.000 1.000 81 T CA -0.784 61.316 62.100 -0.000 0.000 0.958 81 T CB 1.390 70.286 68.868 0.046 0.000 0.944 81 T HN 0.355 nan 8.240 nan 0.000 0.442 82 R N 3.000 123.479 120.500 -0.033 0.000 2.229 82 R HA 0.552 4.892 4.340 -0.000 0.000 0.332 82 R C -0.659 175.654 176.300 0.021 0.000 0.989 82 R CA -0.472 55.613 56.100 -0.025 0.000 0.842 82 R CB 0.611 30.871 30.300 -0.067 0.000 1.119 82 R HN 0.421 nan 8.270 nan 0.000 0.456 83 V N 4.348 124.292 119.914 0.049 0.000 2.508 83 V HA 0.055 4.174 4.120 -0.000 0.000 0.281 83 V C 1.191 177.328 176.094 0.072 0.000 1.041 83 V CA 0.366 62.724 62.300 0.098 0.000 1.016 83 V CB 1.329 33.249 31.823 0.162 0.000 0.984 83 V HN 1.026 nan 8.190 nan 0.000 0.478 84 T N 0.375 115.001 114.554 0.121 0.000 3.044 84 T HA 0.511 4.860 4.350 -0.000 0.000 0.260 84 T C 0.529 175.324 174.700 0.158 0.000 1.019 84 T CA 0.334 62.489 62.100 0.092 0.000 0.921 84 T CB 0.529 69.441 68.868 0.073 0.000 1.053 84 T HN 1.071 nan 8.240 nan 0.000 0.533 85 G N 0.545 109.511 108.800 0.277 0.000 2.489 85 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 85 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 85 G C -2.100 173.015 174.900 0.359 0.000 1.487 85 G CA -1.017 44.307 45.100 0.372 0.000 0.795 85 G HN 0.310 nan 8.290 nan 0.000 0.513 86 I N 0.590 121.340 120.570 0.302 0.000 2.545 86 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 86 I C -1.280 174.925 176.117 0.147 0.000 1.040 86 I CA -0.698 60.700 61.300 0.162 0.000 1.068 86 I CB 2.568 40.659 38.000 0.150 0.000 1.251 86 I HN 0.406 nan 8.210 nan 0.000 0.424 87 D N 7.765 128.177 120.400 0.021 0.000 2.434 87 D HA 0.329 4.969 4.640 -0.000 0.000 0.275 87 D C -2.043 174.254 176.300 -0.005 0.000 1.172 87 D CA -2.218 51.828 54.000 0.077 0.000 0.916 87 D CB 1.453 42.280 40.800 0.045 0.000 1.041 87 D HN 0.096 nan 8.370 nan 0.000 0.501 88 P HA -0.001 nan 4.420 nan 0.000 0.217 88 P C 1.451 178.579 177.300 -0.287 0.000 1.150 88 P CA 0.894 63.774 63.100 -0.368 0.000 0.832 88 P CB 0.294 31.448 31.700 -0.909 0.000 0.787 89 G N -1.302 107.396 108.800 -0.169 0.000 2.470 89 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 89 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 89 G C 1.020 175.680 174.900 -0.400 0.000 1.121 89 G CA 0.632 45.612 45.100 -0.200 0.000 0.766 89 G HN 0.402 nan 8.290 nan 0.000 0.553 90 H N -0.467 118.551 119.070 -0.087 0.000 2.581 90 H HA 0.180 4.736 4.556 -0.000 0.000 0.275 90 H C 0.365 175.525 175.328 -0.280 0.000 1.126 90 H CA -0.052 55.914 56.048 -0.136 0.000 1.097 90 H CB 0.346 30.044 29.762 -0.107 0.000 1.626 90 H HN 0.399 nan 8.280 nan 0.000 0.565 91 Q N 1.266 120.896 119.800 -0.284 0.000 2.423 91 Q HA -0.232 4.108 4.340 -0.000 0.000 0.332 91 Q C 0.011 175.324 176.000 -1.147 0.000 1.355 91 Q CA 0.728 56.045 55.803 -0.809 0.000 0.947 91 Q CB -1.138 27.218 28.738 -0.637 0.000 1.189 91 Q HN 0.662 nan 8.270 nan 0.000 0.418 92 R N -0.522 119.600 120.500 -0.630 0.000 2.764 92 R HA 0.838 5.177 4.340 -0.000 0.000 0.270 92 R C -0.709 175.420 176.300 -0.284 0.000 1.014 92 R CA -0.994 54.825 56.100 -0.469 0.000 0.904 92 R CB 1.578 31.564 30.300 -0.524 0.000 1.236 92 R HN 0.195 nan 8.270 nan 0.000 0.466 93 I N -2.438 117.966 120.570 -0.277 0.000 2.846 93 I HA 0.682 4.852 4.170 -0.000 0.000 0.307 93 I C -1.360 174.501 176.117 -0.426 0.000 1.053 93 I CA -1.359 59.775 61.300 -0.277 0.000 1.050 93 I CB 1.905 39.911 38.000 0.011 0.000 1.239 93 I HN 0.606 nan 8.210 nan 0.000 0.439 94 W N 3.665 125.014 121.300 0.081 0.000 2.520 94 W HA 0.727 5.387 4.660 -0.000 0.000 0.323 94 W C -0.843 175.702 176.519 0.045 0.000 1.062 94 W CA -0.595 56.779 57.345 0.049 0.000 1.215 94 W CB 1.694 31.175 29.460 0.034 0.000 1.340 94 W HN 0.231 nan 8.180 nan 0.000 0.516 95 I N 4.173 124.912 120.570 0.283 0.000 2.495 95 I HA 0.437 4.607 4.170 -0.000 0.000 0.277 95 I C 0.881 177.082 176.117 0.140 0.000 1.045 95 I CA -0.101 61.298 61.300 0.165 0.000 1.135 95 I CB 0.779 38.846 38.000 0.111 0.000 1.241 95 I HN 0.825 nan 8.210 nan 0.000 0.469 96 G N 5.112 113.974 108.800 0.103 0.000 2.620 96 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.315 96 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.315 96 G C 0.543 175.474 174.900 0.052 0.000 1.179 96 G CA 0.453 45.584 45.100 0.051 0.000 0.971 96 G HN 0.619 nan 8.290 nan 0.000 0.544 97 E N 1.445 121.676 120.200 0.052 0.000 2.569 97 E HA 0.271 4.621 4.350 -0.000 0.000 0.205 97 E C -0.285 176.387 176.600 0.120 0.000 1.006 97 E CA -0.137 56.288 56.400 0.042 0.000 0.985 97 E CB 0.450 30.151 29.700 0.002 0.000 1.060 97 E HN 0.386 nan 8.360 nan 0.000 0.460 98 E N 1.310 121.618 120.200 0.181 0.000 2.227 98 E HA 0.209 4.558 4.350 -0.000 0.000 0.268 98 E C -0.447 176.319 176.600 0.276 0.000 0.907 98 E CA -0.466 56.046 56.400 0.186 0.000 0.786 98 E CB 1.806 31.575 29.700 0.115 0.000 1.191 98 E HN 0.218 nan 8.360 nan 0.000 0.411 99 E N -0.328 119.982 120.200 0.183 0.000 2.244 99 E HA 0.652 5.002 4.350 -0.000 0.000 0.266 99 E C -0.994 175.578 176.600 -0.046 0.000 0.914 99 E CA -0.968 55.436 56.400 0.007 0.000 0.794 99 E CB 1.754 31.378 29.700 -0.127 0.000 1.210 99 E HN 0.049 nan 8.360 nan 0.000 0.414 100 V N 2.110 121.959 119.914 -0.110 0.000 2.525 100 V HA 0.373 4.493 4.120 -0.000 0.000 0.299 100 V C -0.691 175.343 176.094 -0.101 0.000 1.034 100 V CA -1.043 61.223 62.300 -0.056 0.000 0.863 100 V CB 1.384 33.212 31.823 0.009 0.000 0.999 100 V HN 0.648 nan 8.190 nan 0.000 0.423 101 R N 4.009 124.443 120.500 -0.111 0.000 2.441 101 R HA 0.638 4.978 4.340 -0.000 0.000 0.284 101 R C -0.794 175.449 176.300 -0.094 0.000 1.070 101 R CA -0.378 55.607 56.100 -0.191 0.000 1.047 101 R CB 0.265 30.472 30.300 -0.155 0.000 1.016 101 R HN 0.760 nan 8.270 nan 0.000 0.477 102 Y N -1.759 118.502 120.300 -0.065 0.000 2.536 102 Y HA 0.515 5.065 4.550 -0.000 0.000 0.347 102 Y C 0.866 176.747 175.900 -0.032 0.000 1.000 102 Y CA -1.665 56.404 58.100 -0.052 0.000 1.051 102 Y CB 1.451 39.870 38.460 -0.068 0.000 1.259 102 Y HN 0.449 nan 8.280 nan 0.000 0.468 103 R N 0.359 120.976 120.500 0.194 0.000 2.057 103 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 103 R C -0.771 175.684 176.300 0.258 0.000 1.136 103 R CA 1.697 57.890 56.100 0.154 0.000 0.952 103 R CB 0.035 30.393 30.300 0.097 0.000 0.848 103 R HN 0.940 nan 8.270 nan 0.000 0.430 104 D N -0.379 120.148 120.400 0.213 0.000 2.661 104 D HA 0.234 4.873 4.640 -0.000 0.000 0.228 104 D C -1.603 174.586 176.300 -0.184 0.000 1.183 104 D CA -0.601 53.472 54.000 0.121 0.000 0.844 104 D CB 2.304 43.147 40.800 0.072 0.000 1.555 104 D HN -0.029 nan 8.370 nan 0.000 0.453 105 L N 1.138 122.087 121.223 -0.456 0.000 2.362 105 L HA 0.509 4.849 4.340 -0.000 0.000 0.275 105 L C -1.518 175.149 176.870 -0.338 0.000 0.998 105 L CA -0.583 53.853 54.840 -0.674 0.000 0.820 105 L CB 1.860 43.129 42.059 -1.317 0.000 1.270 105 L HN 0.156 nan 8.230 nan 0.000 0.415 106 V N 6.263 125.988 119.914 -0.315 0.000 2.378 106 V HA 0.397 4.516 4.120 -0.000 0.000 0.288 106 V C -0.126 175.770 176.094 -0.330 0.000 1.016 106 V CA -0.571 61.576 62.300 -0.256 0.000 0.840 106 V CB 1.549 33.223 31.823 -0.248 0.000 0.994 106 V HN 0.588 nan 8.190 nan 0.000 0.431 107 L N 4.642 125.612 121.223 -0.421 0.000 2.312 107 L HA 0.582 4.922 4.340 -0.000 0.000 0.287 107 L C 0.756 177.326 176.870 -0.501 0.000 1.091 107 L CA -0.085 54.335 54.840 -0.701 0.000 0.846 107 L CB 0.931 42.368 42.059 -1.037 0.000 1.219 107 L HN 0.769 nan 8.230 nan 0.000 0.439 108 A N 3.272 125.891 122.820 -0.336 0.000 2.812 108 A HA 0.196 4.515 4.320 -0.000 0.000 0.294 108 A C 0.316 177.899 177.584 -0.002 0.000 1.014 108 A CA -0.599 51.340 52.037 -0.162 0.000 1.024 108 A CB -0.195 18.730 19.000 -0.126 0.000 1.162 108 A HN 0.869 nan 8.150 nan 0.000 0.511 109 W N -0.876 120.405 121.300 -0.031 0.000 3.330 109 W HA 0.489 5.149 4.660 -0.000 0.000 0.348 109 W C 0.571 177.087 176.519 -0.004 0.000 1.205 109 W CA -1.039 56.293 57.345 -0.021 0.000 1.841 109 W CB -1.237 28.213 29.460 -0.016 0.000 1.084 109 W HN 0.937 nan 8.180 nan 0.000 0.665 110 G N 1.472 110.471 108.800 0.330 0.000 2.601 110 G HA2 0.177 4.137 3.960 -0.000 0.000 0.252 110 G HA3 0.177 4.137 3.960 -0.000 0.000 0.252 110 G C -0.219 174.805 174.900 0.207 0.000 1.294 110 G CA 0.611 45.835 45.100 0.207 0.000 0.912 110 G HN 1.076 nan 8.290 nan 0.000 0.574 111 A N -0.903 121.994 122.820 0.128 0.000 2.384 111 A HA 0.811 5.131 4.320 -0.000 0.000 0.312 111 A C -0.194 177.428 177.584 0.064 0.000 1.113 111 A CA -0.256 51.839 52.037 0.097 0.000 0.779 111 A CB 1.565 20.619 19.000 0.090 0.000 1.307 111 A HN 0.681 nan 8.150 nan 0.000 0.436 112 E N 0.806 121.030 120.200 0.040 0.000 2.191 112 E HA 0.407 4.757 4.350 -0.000 0.000 0.274 112 E C -2.608 174.011 176.600 0.032 0.000 0.948 112 E CA -1.794 54.618 56.400 0.021 0.000 0.802 112 E CB 1.473 31.167 29.700 -0.009 0.000 1.137 112 E HN 0.299 nan 8.360 nan 0.000 0.397 113 P HA 0.038 nan 4.420 nan 0.000 0.265 113 P C -0.187 177.126 177.300 0.021 0.000 1.193 113 P CA 0.372 63.493 63.100 0.035 0.000 0.765 113 P CB 0.363 32.082 31.700 0.032 0.000 0.823 114 I N 4.224 124.808 120.570 0.025 0.000 2.496 114 I HA 0.105 4.275 4.170 -0.000 0.000 0.285 114 I C 1.035 177.158 176.117 0.010 0.000 1.080 114 I CA 0.064 61.374 61.300 0.016 0.000 1.404 114 I CB 0.321 38.334 38.000 0.022 0.000 1.403 114 I HN 0.130 nan 8.210 nan 0.000 0.539 115 R N 5.921 126.422 120.500 0.000 0.000 2.514 115 R HA 0.599 4.939 4.340 -0.000 0.000 0.301 115 R C -0.851 175.446 176.300 -0.006 0.000 0.962 115 R CA -0.809 55.288 56.100 -0.005 0.000 0.882 115 R CB 1.784 32.075 30.300 -0.014 0.000 1.143 115 R HN 0.475 nan 8.270 nan 0.000 0.452 116 V N -0.467 119.443 119.914 -0.005 0.000 2.769 116 V HA 0.672 4.791 4.120 -0.000 0.000 0.312 116 V C -2.133 173.956 176.094 -0.009 0.000 1.058 116 V CA -2.358 59.939 62.300 -0.004 0.000 0.952 116 V CB 1.650 33.474 31.823 0.001 0.000 1.019 116 V HN 0.600 nan 8.190 nan 0.000 0.445 117 P HA 0.430 nan 4.420 nan 0.000 0.276 117 P C -0.940 176.353 177.300 -0.010 0.000 1.243 117 P CA -0.050 63.043 63.100 -0.011 0.000 0.768 117 P CB 1.346 33.040 31.700 -0.010 0.000 0.856 118 V N 3.231 123.137 119.914 -0.014 0.000 2.686 118 V HA 0.291 4.410 4.120 -0.000 0.000 0.306 118 V C 0.184 176.266 176.094 -0.020 0.000 1.065 118 V CA -0.699 61.592 62.300 -0.014 0.000 0.894 118 V CB 2.279 34.095 31.823 -0.012 0.000 1.004 118 V HN 0.461 nan 8.190 nan 0.000 0.424 119 E N 1.699 121.886 120.200 -0.023 0.000 2.504 119 E HA 0.823 5.172 4.350 -0.000 0.000 0.253 119 E C 0.476 177.052 176.600 -0.039 0.000 1.151 119 E CA 0.361 56.741 56.400 -0.032 0.000 0.972 119 E CB 1.483 31.160 29.700 -0.039 0.000 1.247 119 E HN 1.249 nan 8.360 nan 0.000 0.519 120 G N 0.986 109.756 108.800 -0.050 0.000 2.699 120 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 120 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 120 G C 0.106 174.984 174.900 -0.037 0.000 1.301 120 G CA 0.018 45.085 45.100 -0.055 0.000 0.816 120 G HN 0.573 nan 8.290 nan 0.000 0.595 121 D N -0.891 119.488 120.400 -0.034 0.000 2.350 121 D HA 0.282 4.922 4.640 -0.000 0.000 0.216 121 D C 1.755 178.045 176.300 -0.018 0.000 0.968 121 D CA 1.932 55.917 54.000 -0.024 0.000 0.894 121 D CB -0.044 40.744 40.800 -0.021 0.000 0.909 121 D HN 1.430 nan 8.370 nan 0.000 0.520 122 A N 0.267 123.079 122.820 -0.013 0.000 2.564 122 A HA 0.082 4.402 4.320 -0.000 0.000 0.279 122 A C 1.802 179.378 177.584 -0.014 0.000 1.232 122 A CA 0.080 52.112 52.037 -0.008 0.000 0.950 122 A CB -0.421 18.583 19.000 0.008 0.000 1.138 122 A HN 0.250 nan 8.150 nan 0.000 0.526 123 Q N -0.016 119.772 119.800 -0.020 0.000 2.325 123 Q HA -0.231 4.109 4.340 -0.000 0.000 0.211 123 Q C 0.024 176.003 176.000 -0.035 0.000 0.988 123 Q CA 1.854 57.643 55.803 -0.024 0.000 0.887 123 Q CB -0.354 28.368 28.738 -0.027 0.000 0.915 123 Q HN 0.428 nan 8.270 nan 0.000 0.440 124 D N 0.318 120.691 120.400 -0.045 0.000 2.363 124 D HA 0.193 4.833 4.640 -0.000 0.000 0.214 124 D C 0.045 176.283 176.300 -0.103 0.000 1.093 124 D CA 0.448 54.408 54.000 -0.067 0.000 0.837 124 D CB 0.599 41.361 40.800 -0.063 0.000 0.948 124 D HN 0.384 nan 8.370 nan 0.000 0.507 125 A N 1.049 123.821 122.820 -0.080 0.000 3.019 125 A HA 0.274 4.594 4.320 -0.000 0.000 0.262 125 A C 0.320 177.848 177.584 -0.094 0.000 1.509 125 A CA -0.107 51.870 52.037 -0.100 0.000 1.159 125 A CB -0.643 18.353 19.000 -0.007 0.000 1.042 125 A HN 0.124 nan 8.150 nan 0.000 0.641 126 L N 0.147 121.280 121.223 -0.151 0.000 2.296 126 L HA 0.403 4.743 4.340 -0.000 0.000 0.286 126 L C -1.043 175.727 176.870 -0.166 0.000 1.023 126 L CA -0.703 54.092 54.840 -0.075 0.000 0.812 126 L CB 1.277 43.307 42.059 -0.049 0.000 1.223 126 L HN 0.424 nan 8.230 nan 0.000 0.421 127 Y N 4.149 124.440 120.300 -0.016 0.000 2.385 127 Y HA 0.302 4.852 4.550 -0.000 0.000 0.341 127 Y C -1.934 173.907 175.900 -0.099 0.000 0.965 127 Y CA -2.158 55.930 58.100 -0.019 0.000 1.180 127 Y CB 1.002 39.506 38.460 0.073 0.000 1.139 127 Y HN 0.375 nan 8.280 nan 0.000 0.502 128 P HA 0.324 nan 4.420 nan 0.000 0.279 128 P C -0.515 176.789 177.300 0.006 0.000 1.252 128 P CA -0.308 62.795 63.100 0.006 0.000 0.811 128 P CB 1.905 33.617 31.700 0.019 0.000 1.035 129 I N 1.959 122.519 120.570 -0.017 0.000 2.698 129 I HA 0.263 4.432 4.170 -0.000 0.000 0.276 129 I C 0.522 176.753 176.117 0.191 0.000 1.166 129 I CA 0.036 61.356 61.300 0.033 0.000 1.101 129 I CB 0.515 38.354 38.000 -0.268 0.000 1.305 129 I HN 0.249 nan 8.210 nan 0.000 0.526 130 N N 2.961 121.764 118.700 0.171 0.000 2.143 130 N HA 0.073 4.813 4.740 -0.000 0.000 0.222 130 N C -0.699 174.931 175.510 0.200 0.000 1.264 130 N CA -0.004 53.154 53.050 0.181 0.000 0.897 130 N CB 0.713 39.278 38.487 0.130 0.000 1.092 130 N HN 0.677 nan 8.380 nan 0.000 0.516 131 D N -2.127 118.396 120.400 0.205 0.000 2.768 131 D HA 0.048 4.687 4.640 -0.000 0.000 0.327 131 D C 0.373 176.718 176.300 0.076 0.000 1.302 131 D CA -0.677 53.461 54.000 0.230 0.000 0.897 131 D CB 0.167 41.094 40.800 0.211 0.000 1.420 131 D HN -0.155 nan 8.370 nan 0.000 0.494 132 L N 0.290 121.359 121.223 -0.257 0.000 2.093 132 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 132 L C 1.886 178.711 176.870 -0.075 0.000 1.085 132 L CA 1.894 56.478 54.840 -0.426 0.000 0.755 132 L CB -0.731 40.703 42.059 -1.041 0.000 0.904 132 L HN 0.532 nan 8.230 nan 0.000 0.435 133 E N -0.735 119.446 120.200 -0.031 0.000 2.072 133 E HA -0.210 4.139 4.350 -0.000 0.000 0.191 133 E C 1.726 178.383 176.600 0.096 0.000 0.985 133 E CA 1.208 57.632 56.400 0.039 0.000 0.801 133 E CB -0.157 29.573 29.700 0.050 0.000 0.750 133 E HN 0.505 nan 8.360 nan 0.000 0.452 134 D N 0.261 120.734 120.400 0.122 0.000 2.133 134 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 134 D C 1.723 178.151 176.300 0.212 0.000 0.997 134 D CA 1.073 55.169 54.000 0.161 0.000 0.840 134 D CB -0.374 40.517 40.800 0.151 0.000 0.947 134 D HN 0.186 nan 8.370 nan 0.000 0.452 135 Y N 1.448 121.794 120.300 0.077 0.000 2.133 135 Y HA -0.148 4.402 4.550 -0.000 0.000 0.287 135 Y C 2.324 178.282 175.900 0.096 0.000 1.134 135 Y CA 1.660 59.821 58.100 0.102 0.000 1.133 135 Y CB -0.579 37.920 38.460 0.066 0.000 0.987 135 Y HN -0.046 nan 8.280 nan 0.000 0.502 136 A N 0.537 123.412 122.820 0.091 0.000 1.917 136 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 136 A C 2.378 179.933 177.584 -0.049 0.000 1.182 136 A CA 2.248 54.275 52.037 -0.016 0.000 0.633 136 A CB -0.890 18.125 19.000 0.024 0.000 0.819 136 A HN 0.573 nan 8.150 nan 0.000 0.448 137 R N -1.985 118.537 120.500 0.037 0.000 2.090 137 R HA -0.086 4.253 4.340 -0.000 0.000 0.228 137 R C 1.944 178.266 176.300 0.038 0.000 1.110 137 R CA 1.599 57.747 56.100 0.079 0.000 0.973 137 R CB -0.419 29.976 30.300 0.159 0.000 0.869 137 R HN 0.486 nan 8.270 nan 0.000 0.440 138 F N 1.404 121.277 119.950 -0.129 0.000 2.146 138 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 138 F C 2.069 177.633 175.800 -0.394 0.000 1.096 138 F CA 1.233 59.011 58.000 -0.371 0.000 1.275 138 F CB -0.047 38.755 39.000 -0.329 0.000 1.008 138 F HN -0.095 nan 8.300 nan 0.000 0.480 139 R N 0.591 120.779 120.500 -0.520 0.000 2.081 139 R HA -0.216 4.124 4.340 -0.000 0.000 0.235 139 R C 2.264 178.334 176.300 -0.385 0.000 1.131 139 R CA 1.731 57.523 56.100 -0.513 0.000 0.960 139 R CB -1.289 28.734 30.300 -0.462 0.000 0.856 139 R HN 0.532 nan 8.270 nan 0.000 0.436 140 Q N 0.252 119.885 119.800 -0.279 0.000 2.061 140 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 140 Q C 1.854 177.717 176.000 -0.228 0.000 0.984 140 Q CA 2.074 57.765 55.803 -0.188 0.000 0.846 140 Q CB -0.145 28.530 28.738 -0.105 0.000 0.902 140 Q HN 0.310 nan 8.270 nan 0.000 0.421 141 A N 0.312 122.933 122.820 -0.332 0.000 2.015 141 A HA 0.057 4.377 4.320 -0.000 0.000 0.219 141 A C 2.152 179.480 177.584 -0.427 0.000 1.163 141 A CA 1.337 53.164 52.037 -0.349 0.000 0.646 141 A CB -0.660 18.062 19.000 -0.464 0.000 0.806 141 A HN 0.560 nan 8.150 nan 0.000 0.448 142 A N -0.490 121.946 122.820 -0.639 0.000 2.169 142 A HA 0.559 4.879 4.320 -0.000 0.000 0.212 142 A C 1.363 178.867 177.584 -0.134 0.000 1.153 142 A CA 0.624 52.336 52.037 -0.542 0.000 0.756 142 A CB -0.766 17.613 19.000 -1.034 0.000 0.813 142 A HN 0.996 nan 8.150 nan 0.000 0.471 143 A N -0.325 122.414 122.820 -0.135 0.000 2.545 143 A HA 0.423 4.743 4.320 -0.000 0.000 0.253 143 A C 1.641 179.208 177.584 -0.029 0.000 1.074 143 A CA 0.633 52.645 52.037 -0.043 0.000 0.760 143 A CB -0.959 18.002 19.000 -0.064 0.000 1.005 143 A HN 1.950 nan 8.150 nan 0.000 0.506 144 G N 1.827 110.620 108.800 -0.011 0.000 2.184 144 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.264 144 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.264 144 G C 0.349 175.238 174.900 -0.019 0.000 0.975 144 G CA 0.809 45.893 45.100 -0.026 0.000 0.642 144 G HN 0.739 nan 8.290 nan 0.000 0.536 145 K N -0.908 119.506 120.400 0.024 0.000 2.177 145 K HA 0.775 5.095 4.320 -0.000 0.000 0.238 145 K C 1.021 177.675 176.600 0.089 0.000 1.015 145 K CA -0.727 55.596 56.287 0.061 0.000 0.922 145 K CB 1.427 33.965 32.500 0.064 0.000 1.127 145 K HN 0.175 nan 8.250 nan 0.000 0.469 146 R N -0.228 120.330 120.500 0.098 0.000 2.551 146 R HA 0.173 4.513 4.340 -0.000 0.000 0.202 146 R C -0.349 176.046 176.300 0.157 0.000 0.861 146 R CA 0.521 56.657 56.100 0.060 0.000 1.018 146 R CB 0.590 30.877 30.300 -0.023 0.000 1.435 146 R HN 0.421 nan 8.270 nan 0.000 0.659 147 R N 0.436 121.003 120.500 0.112 0.000 2.265 147 R HA 0.531 4.871 4.340 -0.000 0.000 0.328 147 R C -1.301 175.034 176.300 0.057 0.000 0.969 147 R CA -0.584 55.560 56.100 0.073 0.000 0.832 147 R CB 2.424 32.743 30.300 0.033 0.000 1.139 147 R HN -0.116 nan 8.270 nan 0.000 0.457 148 V N 4.949 124.886 119.914 0.040 0.000 2.448 148 V HA 0.361 4.480 4.120 -0.000 0.000 0.295 148 V C -0.648 175.434 176.094 -0.020 0.000 1.025 148 V CA -0.894 61.401 62.300 -0.008 0.000 0.859 148 V CB 1.841 33.618 31.823 -0.076 0.000 0.988 148 V HN 0.556 nan 8.190 nan 0.000 0.431 149 L N 5.534 126.745 121.223 -0.020 0.000 2.295 149 L HA 0.692 5.032 4.340 -0.000 0.000 0.285 149 L C -0.749 176.095 176.870 -0.043 0.000 1.035 149 L CA -0.133 54.687 54.840 -0.033 0.000 0.806 149 L CB 1.351 43.391 42.059 -0.031 0.000 1.214 149 L HN 0.687 nan 8.230 nan 0.000 0.426 150 L N 5.615 126.807 121.223 -0.051 0.000 2.356 150 L HA 0.562 4.902 4.340 -0.000 0.000 0.277 150 L C -1.309 175.549 176.870 -0.021 0.000 0.996 150 L CA -0.486 54.323 54.840 -0.051 0.000 0.822 150 L CB 1.428 43.453 42.059 -0.057 0.000 1.256 150 L HN 0.576 nan 8.230 nan 0.000 0.413 151 L N 5.571 126.788 121.223 -0.010 0.000 2.275 151 L HA 0.865 5.205 4.340 -0.000 0.000 0.288 151 L C 0.446 177.335 176.870 0.032 0.000 1.046 151 L CA -0.465 54.382 54.840 0.012 0.000 0.805 151 L CB 0.994 43.058 42.059 0.008 0.000 1.193 151 L HN 0.850 nan 8.230 nan 0.000 0.426 152 G N 2.348 111.178 108.800 0.050 0.000 2.592 152 G HA2 0.239 4.199 3.960 -0.000 0.000 0.685 152 G HA3 0.239 4.199 3.960 -0.000 0.000 0.685 152 G C -0.517 174.439 174.900 0.093 0.000 1.278 152 G CA -0.255 44.884 45.100 0.066 0.000 0.822 152 G HN 0.895 nan 8.290 nan 0.000 0.652 153 A N 0.373 123.253 122.820 0.100 0.000 2.592 153 A HA 0.797 5.117 4.320 -0.000 0.000 0.290 153 A C 1.182 178.822 177.584 0.094 0.000 0.998 153 A CA 1.202 53.321 52.037 0.137 0.000 0.983 153 A CB -0.059 19.039 19.000 0.165 0.000 1.240 153 A HN 2.233 nan 8.150 nan 0.000 0.535 154 G N -0.838 108.004 108.800 0.070 0.000 2.508 154 G HA2 0.375 4.335 3.960 -0.000 0.000 0.278 154 G HA3 0.375 4.335 3.960 -0.000 0.000 0.278 154 G C 1.028 175.949 174.900 0.036 0.000 1.389 154 G CA 0.058 45.183 45.100 0.042 0.000 1.050 154 G HN 0.547 nan 8.290 nan 0.000 0.522 155 L N -0.733 120.494 121.223 0.008 0.000 2.012 155 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 155 L C 2.745 179.596 176.870 -0.031 0.000 1.073 155 L CA 1.502 56.331 54.840 -0.018 0.000 0.748 155 L CB -0.305 41.727 42.059 -0.045 0.000 0.891 155 L HN 0.545 nan 8.230 nan 0.000 0.431 156 I N -0.163 120.394 120.570 -0.021 0.000 2.202 156 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 156 I C 2.617 178.753 176.117 0.031 0.000 1.091 156 I CA 1.329 62.595 61.300 -0.057 0.000 1.368 156 I CB -0.989 37.024 38.000 0.020 0.000 1.058 156 I HN 0.417 nan 8.210 nan 0.000 0.410 157 G N 0.025 108.895 108.800 0.116 0.000 2.440 157 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 157 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 157 G C 1.704 176.684 174.900 0.134 0.000 1.154 157 G CA 1.111 46.305 45.100 0.157 0.000 0.767 157 G HN 0.419 nan 8.290 nan 0.000 0.552 158 C N 0.331 119.693 119.300 0.103 0.000 2.429 158 C HA 0.019 4.479 4.460 -0.000 0.000 0.277 158 C C 2.788 177.821 174.990 0.071 0.000 1.262 158 C CA 1.003 60.089 59.018 0.114 0.000 1.733 158 C CB -0.792 27.009 27.740 0.103 0.000 2.010 158 C HN 0.576 nan 8.230 nan 0.000 0.483 159 E N -0.017 120.177 120.200 -0.009 0.000 2.072 159 E HA -0.160 4.189 4.350 -0.000 0.000 0.191 159 E C 1.879 178.467 176.600 -0.019 0.000 0.985 159 E CA 1.231 57.590 56.400 -0.069 0.000 0.801 159 E CB -0.254 29.323 29.700 -0.205 0.000 0.750 159 E HN 0.604 nan 8.360 nan 0.000 0.452 160 F N 1.100 121.077 119.950 0.045 0.000 2.134 160 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 160 F C 2.469 178.278 175.800 0.015 0.000 1.097 160 F CA 0.973 58.995 58.000 0.036 0.000 1.264 160 F CB -1.008 37.981 39.000 -0.018 0.000 1.001 160 F HN -0.016 nan 8.300 nan 0.000 0.479 161 A N 0.108 123.039 122.820 0.185 0.000 1.892 161 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 161 A C 2.286 179.921 177.584 0.084 0.000 1.188 161 A CA 2.160 54.244 52.037 0.078 0.000 0.631 161 A CB -1.053 17.959 19.000 0.021 0.000 0.822 161 A HN 0.411 nan 8.150 nan 0.000 0.447 162 N N -0.087 118.675 118.700 0.104 0.000 2.084 162 N HA -0.171 4.568 4.740 -0.000 0.000 0.190 162 N C 1.498 177.078 175.510 0.117 0.000 1.030 162 N CA 1.925 55.034 53.050 0.098 0.000 0.849 162 N CB -0.405 38.135 38.487 0.087 0.000 1.012 162 N HN 0.503 nan 8.380 nan 0.000 0.423 163 D N 0.014 120.512 120.400 0.163 0.000 2.103 163 D HA 0.001 4.641 4.640 -0.000 0.000 0.199 163 D C 2.278 178.702 176.300 0.207 0.000 0.978 163 D CA 0.636 54.777 54.000 0.235 0.000 0.829 163 D CB -0.113 40.887 40.800 0.335 0.000 0.981 163 D HN 0.207 nan 8.370 nan 0.000 0.464 164 L N 0.086 121.393 121.223 0.141 0.000 2.043 164 L HA -0.198 4.141 4.340 -0.000 0.000 0.212 164 L C 2.532 179.421 176.870 0.030 0.000 1.075 164 L CA 1.172 55.984 54.840 -0.047 0.000 0.752 164 L CB -0.486 41.523 42.059 -0.083 0.000 0.891 164 L HN 0.039 nan 8.230 nan 0.000 0.432 165 S N -0.635 115.098 115.700 0.054 0.000 2.356 165 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 165 S C 2.122 176.741 174.600 0.031 0.000 1.032 165 S CA 1.625 59.852 58.200 0.044 0.000 1.005 165 S CB -0.231 62.994 63.200 0.042 0.000 0.867 165 S HN 0.371 nan 8.310 nan 0.000 0.449 166 S N 1.011 116.748 115.700 0.062 0.000 2.442 166 S HA -0.018 4.452 4.470 -0.000 0.000 0.236 166 S C 1.924 176.570 174.600 0.076 0.000 1.007 166 S CA 0.913 59.158 58.200 0.076 0.000 0.965 166 S CB -0.496 62.773 63.200 0.115 0.000 0.773 166 S HN 0.664 nan 8.310 nan 0.000 0.504 167 G N 0.045 108.867 108.800 0.036 0.000 2.920 167 G HA2 0.371 4.330 3.960 -0.000 0.000 0.208 167 G HA3 0.371 4.330 3.960 -0.000 0.000 0.208 167 G C 0.969 175.744 174.900 -0.208 0.000 1.159 167 G CA 0.353 45.428 45.100 -0.042 0.000 0.784 167 G HN 0.752 nan 8.290 nan 0.000 0.535 168 G N -1.677 107.017 108.800 -0.177 0.000 2.176 168 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.232 168 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.232 168 G C 0.157 174.845 174.900 -0.354 0.000 0.986 168 G CA -0.016 44.929 45.100 -0.257 0.000 0.643 168 G HN 0.381 nan 8.290 nan 0.000 0.522 169 Y N 0.559 120.763 120.300 -0.160 0.000 2.301 169 Y HA 0.583 5.132 4.550 -0.000 0.000 0.328 169 Y C 0.997 176.844 175.900 -0.088 0.000 1.242 169 Y CA -0.136 57.883 58.100 -0.135 0.000 1.323 169 Y CB 0.789 39.143 38.460 -0.176 0.000 1.266 169 Y HN 0.175 nan 8.280 nan 0.000 0.527 170 Q N 1.855 121.718 119.800 0.104 0.000 2.303 170 Q HA 0.438 4.778 4.340 -0.000 0.000 0.257 170 Q C -1.800 174.225 176.000 0.041 0.000 0.941 170 Q CA -0.759 55.071 55.803 0.045 0.000 0.931 170 Q CB 0.696 29.449 28.738 0.026 0.000 1.215 170 Q HN 0.458 nan 8.270 nan 0.000 0.437 171 L N 3.547 124.773 121.223 0.004 0.000 2.322 171 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 171 L C -1.069 175.767 176.870 -0.057 0.000 1.014 171 L CA -0.201 54.619 54.840 -0.034 0.000 0.815 171 L CB 2.013 44.033 42.059 -0.066 0.000 1.247 171 L HN 0.589 nan 8.230 nan 0.000 0.421 172 D N 1.553 121.929 120.400 -0.040 0.000 2.502 172 D HA 0.578 5.218 4.640 -0.000 0.000 0.249 172 D C -0.955 175.318 176.300 -0.046 0.000 1.092 172 D CA -0.208 53.798 54.000 0.009 0.000 0.839 172 D CB 2.296 43.154 40.800 0.097 0.000 1.264 172 D HN 0.093 nan 8.370 nan 0.000 0.511 173 V N 2.897 122.747 119.914 -0.106 0.000 2.398 173 V HA 0.489 4.609 4.120 -0.000 0.000 0.286 173 V C -0.344 175.800 176.094 0.083 0.000 1.026 173 V CA -0.651 61.577 62.300 -0.121 0.000 0.868 173 V CB 1.752 33.325 31.823 -0.417 0.000 0.982 173 V HN 0.321 nan 8.190 nan 0.000 0.443 174 V N 4.020 123.975 119.914 0.069 0.000 2.487 174 V HA 0.938 5.057 4.120 -0.000 0.000 0.298 174 V C -0.004 176.139 176.094 0.083 0.000 1.028 174 V CA -0.279 62.076 62.300 0.091 0.000 0.860 174 V CB 1.590 33.418 31.823 0.008 0.000 0.991 174 V HN 1.066 nan 8.190 nan 0.000 0.427 175 A N 6.383 129.265 122.820 0.105 0.000 2.555 175 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 175 A C -2.636 174.992 177.584 0.075 0.000 1.060 175 A CA -0.996 51.091 52.037 0.083 0.000 0.710 175 A CB 2.024 21.081 19.000 0.096 0.000 1.282 175 A HN 0.503 nan 8.150 nan 0.000 0.399 176 P HA 0.050 nan 4.420 nan 0.000 0.241 176 P C 0.800 178.121 177.300 0.035 0.000 1.191 176 P CA 0.593 63.718 63.100 0.042 0.000 0.771 176 P CB -0.682 31.036 31.700 0.030 0.000 0.929 177 C N 0.616 119.938 119.300 0.036 0.000 2.656 177 C HA 0.301 4.761 4.460 -0.000 0.000 0.391 177 C C 2.037 177.037 174.990 0.017 0.000 1.300 177 C CA -0.581 58.450 59.018 0.021 0.000 2.302 177 C CB 0.192 27.943 27.740 0.018 0.000 2.655 177 C HN 0.304 nan 8.230 nan 0.000 0.656 178 E N 0.502 120.700 120.200 -0.004 0.000 2.478 178 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 178 E C 0.370 176.950 176.600 -0.035 0.000 1.045 178 E CA 0.257 56.648 56.400 -0.015 0.000 0.868 178 E CB 0.031 29.716 29.700 -0.024 0.000 0.885 178 E HN 0.931 nan 8.360 nan 0.000 0.505 179 Q N -0.070 119.707 119.800 -0.039 0.000 2.590 179 Q HA 0.442 4.782 4.340 -0.000 0.000 0.295 179 Q C -0.377 175.590 176.000 -0.054 0.000 0.973 179 Q CA -1.127 54.634 55.803 -0.070 0.000 0.768 179 Q CB 1.577 30.265 28.738 -0.083 0.000 1.479 179 Q HN 0.029 nan 8.270 nan 0.000 0.419 180 V N -0.966 118.894 119.914 -0.090 0.000 2.843 180 V HA 0.250 4.370 4.120 -0.000 0.000 0.305 180 V C 0.526 176.600 176.094 -0.033 0.000 1.065 180 V CA -0.301 61.974 62.300 -0.041 0.000 1.116 180 V CB -0.068 31.717 31.823 -0.064 0.000 0.968 180 V HN 1.022 nan 8.190 nan 0.000 0.487 181 M N 2.056 121.653 119.600 -0.006 0.000 2.303 181 M HA -0.094 4.385 4.480 -0.000 0.000 0.189 181 M C -2.146 174.133 176.300 -0.034 0.000 0.688 181 M CA 0.381 55.670 55.300 -0.017 0.000 0.479 181 M CB -1.743 30.842 32.600 -0.024 0.000 1.094 181 M HN 0.713 nan 8.290 nan 0.000 0.907 182 P HA 0.207 nan 4.420 nan 0.000 0.271 182 P C 1.140 178.418 177.300 -0.036 0.000 1.218 182 P CA 1.405 64.480 63.100 -0.041 0.000 0.780 182 P CB 1.368 33.052 31.700 -0.027 0.000 0.901 183 G N 1.815 110.585 108.800 -0.050 0.000 2.396 183 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.242 183 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.242 183 G C 0.599 175.480 174.900 -0.031 0.000 1.069 183 G CA 0.488 45.569 45.100 -0.032 0.000 0.633 183 G HN 0.560 nan 8.290 nan 0.000 0.517 184 L N 0.068 121.267 121.223 -0.040 0.000 2.316 184 L HA 0.624 4.964 4.340 -0.000 0.000 0.207 184 L C 0.973 177.805 176.870 -0.064 0.000 1.070 184 L CA 0.965 55.781 54.840 -0.040 0.000 0.820 184 L CB 0.169 42.205 42.059 -0.039 0.000 0.992 184 L HN 0.335 nan 8.230 nan 0.000 0.466 185 L N 0.335 121.506 121.223 -0.087 0.000 2.341 185 L HA 0.288 4.627 4.340 -0.000 0.000 0.278 185 L C -0.508 176.265 176.870 -0.162 0.000 1.005 185 L CA -0.893 53.886 54.840 -0.100 0.000 0.818 185 L CB 1.249 43.270 42.059 -0.064 0.000 1.259 185 L HN 0.110 nan 8.230 nan 0.000 0.418 186 H N 5.455 124.313 119.070 -0.354 0.000 3.094 186 H HA -0.026 4.530 4.556 -0.000 0.000 0.320 186 H C -1.847 173.341 175.328 -0.233 0.000 1.000 186 H CA -0.670 55.130 56.048 -0.412 0.000 1.413 186 H CB 1.424 30.869 29.762 -0.528 0.000 1.405 186 H HN 0.369 nan 8.280 nan 0.000 0.586 187 P HA -0.187 nan 4.420 nan 0.000 0.216 187 P C 1.175 178.490 177.300 0.025 0.000 1.154 187 P CA 2.323 65.349 63.100 -0.123 0.000 0.865 187 P CB -0.029 31.550 31.700 -0.201 0.000 0.789 188 A N -0.061 122.888 122.820 0.216 0.000 1.877 188 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 188 A C 2.372 179.977 177.584 0.034 0.000 1.186 188 A CA 2.317 54.419 52.037 0.109 0.000 0.620 188 A CB -1.607 17.447 19.000 0.090 0.000 0.822 188 A HN 0.215 nan 8.150 nan 0.000 0.443 189 A N -0.273 122.571 122.820 0.041 0.000 1.898 189 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 189 A C 2.496 180.066 177.584 -0.023 0.000 1.181 189 A CA 2.008 54.041 52.037 -0.007 0.000 0.620 189 A CB -0.972 18.022 19.000 -0.010 0.000 0.819 189 A HN 1.048 nan 8.150 nan 0.000 0.442 190 A N -0.043 122.758 122.820 -0.032 0.000 1.902 190 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 190 A C 2.140 179.667 177.584 -0.096 0.000 1.181 190 A CA 2.008 54.004 52.037 -0.068 0.000 0.623 190 A CB -0.467 18.484 19.000 -0.082 0.000 0.818 190 A HN 0.567 nan 8.150 nan 0.000 0.443 191 K N -0.243 120.110 120.400 -0.079 0.000 2.057 191 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 191 K C 2.147 178.697 176.600 -0.085 0.000 1.049 191 K CA 1.270 57.501 56.287 -0.094 0.000 0.931 191 K CB -0.360 32.102 32.500 -0.063 0.000 0.714 191 K HN 0.345 nan 8.250 nan 0.000 0.440 192 A N 0.812 123.599 122.820 -0.055 0.000 1.883 192 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 192 A C 2.266 179.823 177.584 -0.046 0.000 1.186 192 A CA 1.821 53.833 52.037 -0.042 0.000 0.624 192 A CB -0.777 18.207 19.000 -0.027 0.000 0.822 192 A HN 0.183 nan 8.150 nan 0.000 0.444 193 V N -0.045 119.838 119.914 -0.051 0.000 2.295 193 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 193 V C 2.736 178.788 176.094 -0.070 0.000 1.049 193 V CA 2.373 64.648 62.300 -0.040 0.000 1.024 193 V CB -0.866 30.938 31.823 -0.031 0.000 0.648 193 V HN 0.760 nan 8.190 nan 0.000 0.447 194 Q N -0.317 119.373 119.800 -0.182 0.000 2.096 194 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 194 Q C 2.241 178.133 176.000 -0.180 0.000 0.982 194 Q CA 2.047 57.623 55.803 -0.378 0.000 0.850 194 Q CB -0.270 28.113 28.738 -0.593 0.000 0.901 194 Q HN 0.664 nan 8.270 nan 0.000 0.422 195 A N 0.175 122.931 122.820 -0.106 0.000 1.930 195 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 195 A C 2.220 179.810 177.584 0.008 0.000 1.175 195 A CA 1.509 53.522 52.037 -0.039 0.000 0.627 195 A CB -1.202 17.776 19.000 -0.037 0.000 0.815 195 A HN 0.593 nan 8.150 nan 0.000 0.443 196 G N 0.064 108.870 108.800 0.010 0.000 2.459 196 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 196 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 196 G C 1.556 176.500 174.900 0.073 0.000 1.183 196 G CA 1.138 46.258 45.100 0.035 0.000 0.776 196 G HN 0.434 nan 8.290 nan 0.000 0.552 197 L N 0.037 121.332 121.223 0.121 0.000 2.056 197 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 197 L C 2.867 179.866 176.870 0.215 0.000 1.078 197 L CA 1.204 56.165 54.840 0.202 0.000 0.749 197 L CB -0.491 41.790 42.059 0.370 0.000 0.901 197 L HN 0.288 nan 8.230 nan 0.000 0.433 198 E N 0.220 120.569 120.200 0.248 0.000 2.153 198 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 198 E C 2.197 178.853 176.600 0.094 0.000 0.988 198 E CA 0.930 57.441 56.400 0.187 0.000 0.811 198 E CB -0.276 29.517 29.700 0.155 0.000 0.746 198 E HN 0.561 nan 8.360 nan 0.000 0.466 199 G N 0.903 109.746 108.800 0.072 0.000 2.470 199 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 199 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 199 G C 1.416 176.342 174.900 0.044 0.000 1.121 199 G CA 0.321 45.449 45.100 0.046 0.000 0.766 199 G HN 0.134 nan 8.290 nan 0.000 0.553 200 L N -0.249 121.007 121.223 0.055 0.000 2.558 200 L HA 0.270 4.610 4.340 -0.000 0.000 0.225 200 L C 2.054 178.943 176.870 0.033 0.000 1.128 200 L CA 0.542 55.408 54.840 0.043 0.000 0.868 200 L CB 0.146 42.236 42.059 0.051 0.000 1.006 200 L HN 0.368 nan 8.230 nan 0.000 0.454 201 G N -0.350 108.473 108.800 0.037 0.000 2.179 201 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 201 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 201 G C 0.249 175.155 174.900 0.009 0.000 0.990 201 G CA -0.135 44.978 45.100 0.022 0.000 0.646 201 G HN 0.040 nan 8.290 nan 0.000 0.517 202 V N 2.365 122.285 119.914 0.009 0.000 2.599 202 V HA 0.308 4.427 4.120 -0.000 0.000 0.300 202 V C 0.951 176.996 176.094 -0.080 0.000 1.034 202 V CA 0.222 62.475 62.300 -0.078 0.000 1.115 202 V CB 0.750 32.498 31.823 -0.126 0.000 0.934 202 V HN 0.364 nan 8.190 nan 0.000 0.485 203 R N 4.366 124.768 120.500 -0.163 0.000 2.295 203 R HA 0.494 4.834 4.340 -0.000 0.000 0.324 203 R C -1.185 174.920 176.300 -0.325 0.000 0.968 203 R CA -0.387 55.621 56.100 -0.152 0.000 0.837 203 R CB 1.365 31.598 30.300 -0.111 0.000 1.133 203 R HN 0.508 nan 8.270 nan 0.000 0.450 204 F N 1.526 121.350 119.950 -0.210 0.000 2.404 204 F HA 0.255 4.782 4.527 -0.000 0.000 0.339 204 F C 0.555 176.153 175.800 -0.336 0.000 1.105 204 F CA -0.577 57.333 58.000 -0.151 0.000 1.087 204 F CB 1.201 40.159 39.000 -0.069 0.000 1.143 204 F HN 0.434 nan 8.300 nan 0.000 0.491 205 H N 3.644 122.801 119.070 0.145 0.000 2.645 205 H HA 0.385 4.941 4.556 -0.000 0.000 0.257 205 H C -0.893 174.492 175.328 0.096 0.000 1.269 205 H CA -0.367 55.736 56.048 0.092 0.000 1.409 205 H CB 0.410 30.196 29.762 0.040 0.000 1.434 205 H HN 0.385 nan 8.280 nan 0.000 0.505 206 L N 2.115 123.438 121.223 0.167 0.000 2.257 206 L HA 0.511 4.851 4.340 -0.000 0.000 0.290 206 L C 1.010 177.928 176.870 0.080 0.000 1.044 206 L CA 0.092 55.004 54.840 0.119 0.000 0.810 206 L CB 1.199 43.307 42.059 0.082 0.000 1.193 206 L HN 0.953 nan 8.230 nan 0.000 0.425 207 G N 3.691 112.533 108.800 0.070 0.000 3.435 207 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.197 207 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.197 207 G C -2.564 172.365 174.900 0.049 0.000 1.497 207 G CA -0.664 44.466 45.100 0.050 0.000 1.043 207 G HN 0.498 nan 8.290 nan 0.000 0.466 208 P HA 0.552 nan 4.420 nan 0.000 0.274 208 P C 0.167 177.490 177.300 0.038 0.000 1.256 208 P CA 0.093 63.220 63.100 0.045 0.000 0.795 208 P CB 1.427 33.155 31.700 0.048 0.000 1.038 209 V N -1.709 118.220 119.914 0.025 0.000 3.113 209 V HA 0.542 4.661 4.120 -0.000 0.000 0.316 209 V C -0.462 175.638 176.094 0.009 0.000 1.125 209 V CA -1.348 60.963 62.300 0.018 0.000 1.026 209 V CB 1.477 33.309 31.823 0.016 0.000 1.080 209 V HN 0.285 nan 8.190 nan 0.000 0.444 210 L N 2.410 123.636 121.223 0.005 0.000 2.361 210 L HA 0.671 5.011 4.340 -0.000 0.000 0.278 210 L C 1.020 177.898 176.870 0.013 0.000 1.113 210 L CA 1.151 55.994 54.840 0.005 0.000 0.849 210 L CB 0.673 42.733 42.059 0.002 0.000 1.155 210 L HN 0.974 nan 8.230 nan 0.000 0.452 211 A N 3.389 126.224 122.820 0.025 0.000 1.901 211 A HA 0.311 4.631 4.320 -0.000 0.000 0.210 211 A C 0.729 178.318 177.584 0.009 0.000 1.208 211 A CA 0.954 53.003 52.037 0.019 0.000 0.644 211 A CB -0.241 18.776 19.000 0.028 0.000 0.863 211 A HN 0.790 nan 8.150 nan 0.000 0.454 212 S N -1.799 113.917 115.700 0.027 0.000 2.556 212 S HA 0.673 5.143 4.470 -0.000 0.000 0.271 212 S C -1.387 173.240 174.600 0.045 0.000 1.135 212 S CA -0.625 57.571 58.200 -0.006 0.000 0.858 212 S CB 1.531 64.671 63.200 -0.099 0.000 1.114 212 S HN 0.659 nan 8.310 nan 0.000 0.468 213 L N 1.383 122.619 121.223 0.021 0.000 2.376 213 L HA 0.696 5.035 4.340 -0.000 0.000 0.275 213 L C -1.226 175.663 176.870 0.030 0.000 0.987 213 L CA -0.203 54.666 54.840 0.048 0.000 0.828 213 L CB 1.443 43.518 42.059 0.027 0.000 1.249 213 L HN 0.893 nan 8.230 nan 0.000 0.409 214 K N 4.351 124.789 120.400 0.064 0.000 2.422 214 K HA 0.472 4.792 4.320 -0.000 0.000 0.251 214 K C -1.002 175.626 176.600 0.048 0.000 0.933 214 K CA -0.991 55.319 56.287 0.039 0.000 0.798 214 K CB 2.396 34.916 32.500 0.033 0.000 1.238 214 K HN 0.422 nan 8.250 nan 0.000 0.428 215 K N 1.366 121.782 120.400 0.027 0.000 2.416 215 K HA 0.256 4.576 4.320 -0.000 0.000 0.283 215 K C -0.496 176.123 176.600 0.031 0.000 1.037 215 K CA -0.047 56.255 56.287 0.026 0.000 0.995 215 K CB 0.716 33.225 32.500 0.015 0.000 0.938 215 K HN 0.621 nan 8.250 nan 0.000 0.475 216 A N 2.962 125.800 122.820 0.030 0.000 2.414 216 A HA 0.620 4.940 4.320 -0.000 0.000 0.286 216 A C 0.436 178.031 177.584 0.018 0.000 1.073 216 A CA -0.031 52.023 52.037 0.028 0.000 0.727 216 A CB 1.027 20.049 19.000 0.037 0.000 1.215 216 A HN 0.825 nan 8.150 nan 0.000 0.430 217 G N 1.634 110.443 108.800 0.014 0.000 2.651 217 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.315 217 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.315 217 G C 0.574 175.479 174.900 0.009 0.000 1.258 217 G CA 0.664 45.769 45.100 0.009 0.000 1.002 217 G HN 0.779 nan 8.290 nan 0.000 0.551 218 E N 2.504 122.708 120.200 0.007 0.000 2.444 218 E HA 0.347 4.697 4.350 -0.000 0.000 0.191 218 E C 1.141 177.747 176.600 0.010 0.000 1.041 218 E CA 1.017 57.421 56.400 0.007 0.000 0.883 218 E CB 0.216 29.918 29.700 0.003 0.000 1.024 218 E HN 0.736 nan 8.360 nan 0.000 0.470 219 G N -0.446 108.362 108.800 0.013 0.000 3.253 219 G HA2 0.605 4.565 3.960 -0.000 0.000 0.175 219 G HA3 0.605 4.565 3.960 -0.000 0.000 0.175 219 G C -0.849 174.066 174.900 0.024 0.000 1.098 219 G CA -0.476 44.634 45.100 0.018 0.000 0.790 219 G HN 0.061 nan 8.290 nan 0.000 0.648 220 L N -0.108 121.130 121.223 0.025 0.000 2.371 220 L HA 0.604 4.943 4.340 -0.000 0.000 0.262 220 L C -0.933 175.953 176.870 0.026 0.000 1.006 220 L CA -0.676 54.184 54.840 0.032 0.000 0.818 220 L CB 2.739 44.821 42.059 0.039 0.000 1.354 220 L HN 0.443 nan 8.230 nan 0.000 0.415 221 E N 1.043 121.271 120.200 0.047 0.000 2.191 221 E HA 0.551 4.901 4.350 -0.000 0.000 0.263 221 E C -0.987 175.655 176.600 0.069 0.000 0.881 221 E CA -0.634 55.781 56.400 0.024 0.000 0.757 221 E CB 2.194 31.904 29.700 0.016 0.000 1.147 221 E HN 0.617 nan 8.360 nan 0.000 0.414 222 A N 3.741 126.552 122.820 -0.015 0.000 2.294 222 A HA 0.301 4.621 4.320 -0.000 0.000 0.316 222 A C -1.020 176.534 177.584 -0.049 0.000 1.359 222 A CA -0.489 51.551 52.037 0.006 0.000 0.956 222 A CB -0.109 18.869 19.000 -0.037 0.000 1.155 222 A HN 0.623 nan 8.150 nan 0.000 0.544 223 H N 2.224 121.271 119.070 -0.037 0.000 2.782 223 H HA 0.387 4.943 4.556 -0.000 0.000 0.285 223 H C 0.086 175.391 175.328 -0.038 0.000 1.093 223 H CA 0.129 56.157 56.048 -0.034 0.000 1.410 223 H CB 0.380 30.129 29.762 -0.023 0.000 1.439 223 H HN 0.568 nan 8.280 nan 0.000 0.469 224 L N 1.507 122.739 121.223 0.015 0.000 2.421 224 L HA 0.122 4.462 4.340 -0.000 0.000 0.263 224 L C 1.524 178.411 176.870 0.027 0.000 1.122 224 L CA -0.399 54.441 54.840 0.000 0.000 0.804 224 L CB 1.128 43.157 42.059 -0.051 0.000 1.150 224 L HN 0.701 nan 8.230 nan 0.000 0.457 225 S N -0.487 115.227 115.700 0.022 0.000 2.440 225 S HA -0.189 4.281 4.470 -0.000 0.000 0.238 225 S C 1.029 175.644 174.600 0.025 0.000 1.010 225 S CA 1.211 59.425 58.200 0.024 0.000 0.972 225 S CB -0.430 62.782 63.200 0.020 0.000 0.774 225 S HN 0.856 nan 8.310 nan 0.000 0.501 226 D N 0.054 120.467 120.400 0.023 0.000 2.339 226 D HA 0.265 4.904 4.640 -0.000 0.000 0.217 226 D C 1.411 177.724 176.300 0.022 0.000 1.050 226 D CA 0.623 54.637 54.000 0.024 0.000 0.856 226 D CB -0.428 40.390 40.800 0.031 0.000 0.922 226 D HN 0.590 nan 8.370 nan 0.000 0.518 227 G N 0.187 109.000 108.800 0.021 0.000 2.194 227 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.236 227 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.236 227 G C -0.022 174.871 174.900 -0.011 0.000 0.987 227 G CA -0.074 45.037 45.100 0.019 0.000 0.635 227 G HN 0.433 nan 8.290 nan 0.000 0.520 228 E N 0.009 120.196 120.200 -0.022 0.000 2.442 228 E HA 0.386 4.736 4.350 -0.000 0.000 0.262 228 E C -0.164 176.358 176.600 -0.130 0.000 1.004 228 E CA 0.431 56.796 56.400 -0.059 0.000 0.928 228 E CB 1.434 31.101 29.700 -0.056 0.000 0.937 228 E HN 0.216 nan 8.360 nan 0.000 0.446 229 V N 5.120 124.928 119.914 -0.177 0.000 2.488 229 V HA 0.322 4.442 4.120 -0.000 0.000 0.293 229 V C -0.386 175.588 176.094 -0.201 0.000 1.027 229 V CA -0.535 61.584 62.300 -0.301 0.000 0.862 229 V CB 0.966 32.500 31.823 -0.482 0.000 1.008 229 V HN 0.500 nan 8.190 nan 0.000 0.428 230 I N 7.435 127.896 120.570 -0.181 0.000 2.362 230 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 230 I C -2.320 173.743 176.117 -0.089 0.000 0.994 230 I CA -2.012 59.213 61.300 -0.125 0.000 1.158 230 I CB 2.685 40.587 38.000 -0.163 0.000 1.315 230 I HN 0.393 nan 8.210 nan 0.000 0.451 231 P HA 0.289 nan 4.420 nan 0.000 0.282 231 P C -0.981 176.309 177.300 -0.018 0.000 1.249 231 P CA -0.273 62.807 63.100 -0.033 0.000 0.806 231 P CB 1.337 33.023 31.700 -0.024 0.000 0.984 232 C N 0.287 119.585 119.300 -0.004 0.000 3.312 232 C HA 0.451 4.911 4.460 -0.000 0.000 0.332 232 C C 0.827 175.828 174.990 0.018 0.000 1.340 232 C CA -0.607 58.415 59.018 0.007 0.000 1.265 232 C CB 1.212 28.954 27.740 0.003 0.000 1.563 232 C HN 0.472 nan 8.230 nan 0.000 0.471 233 D N 0.271 120.685 120.400 0.023 0.000 2.262 233 D HA 0.255 4.895 4.640 -0.000 0.000 0.212 233 D C 0.448 176.767 176.300 0.031 0.000 0.964 233 D CA 1.205 55.218 54.000 0.021 0.000 0.875 233 D CB 0.412 41.222 40.800 0.016 0.000 0.996 233 D HN 0.561 nan 8.370 nan 0.000 0.497 234 L N 0.071 121.315 121.223 0.037 0.000 2.479 234 L HA 0.498 4.838 4.340 -0.000 0.000 0.255 234 L C -1.046 175.881 176.870 0.094 0.000 1.026 234 L CA -0.975 53.916 54.840 0.085 0.000 0.842 234 L CB 2.823 44.897 42.059 0.023 0.000 1.444 234 L HN -0.378 nan 8.230 nan 0.000 0.409 235 V N 1.581 121.592 119.914 0.162 0.000 2.577 235 V HA 0.439 4.558 4.120 -0.000 0.000 0.303 235 V C -0.290 175.867 176.094 0.105 0.000 1.042 235 V CA -0.624 61.733 62.300 0.095 0.000 0.872 235 V CB 2.441 34.306 31.823 0.071 0.000 0.998 235 V HN 0.429 nan 8.190 nan 0.000 0.423 236 V N 3.344 123.239 119.914 -0.032 0.000 2.427 236 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 236 V C 0.439 176.485 176.094 -0.081 0.000 1.034 236 V CA -0.207 62.005 62.300 -0.145 0.000 0.893 236 V CB 1.895 33.488 31.823 -0.384 0.000 0.982 236 V HN 0.874 nan 8.190 nan 0.000 0.452 237 S N 4.047 119.712 115.700 -0.057 0.000 2.423 237 S HA 0.670 5.140 4.470 -0.000 0.000 0.317 237 S C 0.174 174.768 174.600 -0.008 0.000 1.065 237 S CA 0.048 58.235 58.200 -0.022 0.000 1.111 237 S CB 0.567 63.761 63.200 -0.011 0.000 0.968 237 S HN 1.048 nan 8.310 nan 0.000 0.474 238 A N 4.988 127.820 122.820 0.020 0.000 3.176 238 A HA 0.451 4.771 4.320 -0.000 0.000 0.265 238 A C 0.796 178.424 177.584 0.073 0.000 0.936 238 A CA -0.362 51.719 52.037 0.074 0.000 1.033 238 A CB -0.040 19.047 19.000 0.146 0.000 1.158 238 A HN 0.667 nan 8.150 nan 0.000 0.485 239 V N 0.041 119.986 119.914 0.051 0.000 2.453 239 V HA 0.278 4.398 4.120 -0.000 0.000 0.247 239 V C 1.505 177.629 176.094 0.050 0.000 1.048 239 V CA 1.963 64.291 62.300 0.046 0.000 1.049 239 V CB -0.543 31.300 31.823 0.032 0.000 0.672 239 V HN 1.104 nan 8.190 nan 0.000 0.457 240 G N -1.426 107.406 108.800 0.053 0.000 2.324 240 G HA2 0.416 4.376 3.960 -0.000 0.000 0.293 240 G HA3 0.416 4.376 3.960 -0.000 0.000 0.293 240 G C -1.949 172.983 174.900 0.053 0.000 1.297 240 G CA -0.826 44.305 45.100 0.051 0.000 0.853 240 G HN 0.075 nan 8.290 nan 0.000 0.535 241 L N -0.255 121.001 121.223 0.054 0.000 2.401 241 L HA 0.794 5.134 4.340 -0.000 0.000 0.266 241 L C -0.024 176.879 176.870 0.054 0.000 0.991 241 L CA -0.895 53.980 54.840 0.057 0.000 0.818 241 L CB 2.664 44.764 42.059 0.069 0.000 1.321 241 L HN 0.625 nan 8.230 nan 0.000 0.413 242 R N 2.567 123.098 120.500 0.051 0.000 2.513 242 R HA 0.499 4.838 4.340 -0.000 0.000 0.301 242 R C -2.669 173.670 176.300 0.065 0.000 0.968 242 R CA -1.723 54.408 56.100 0.051 0.000 0.872 242 R CB 2.335 32.656 30.300 0.035 0.000 1.177 242 R HN 0.197 nan 8.270 nan 0.000 0.444 243 P HA -0.068 nan 4.420 nan 0.000 0.264 243 P C -0.905 176.464 177.300 0.115 0.000 1.179 243 P CA 0.354 63.526 63.100 0.120 0.000 0.763 243 P CB 0.475 32.253 31.700 0.129 0.000 0.806 244 R N 1.882 122.465 120.500 0.137 0.000 2.351 244 R HA 0.160 4.499 4.340 -0.000 0.000 0.318 244 R C 1.092 177.507 176.300 0.191 0.000 1.055 244 R CA 0.472 56.585 56.100 0.023 0.000 0.968 244 R CB -0.164 29.976 30.300 -0.267 0.000 0.974 244 R HN 0.572 nan 8.270 nan 0.000 0.439 245 T N -2.009 112.618 114.554 0.121 0.000 2.969 245 T HA 0.058 4.408 4.350 -0.000 0.000 0.258 245 T C 1.079 175.892 174.700 0.188 0.000 0.962 245 T CA -0.416 61.818 62.100 0.222 0.000 0.903 245 T CB 0.305 69.287 68.868 0.189 0.000 1.177 245 T HN 0.449 nan 8.240 nan 0.000 0.511 246 E N 1.589 121.821 120.200 0.054 0.000 2.153 246 E HA 0.014 4.364 4.350 -0.000 0.000 0.194 246 E C 1.839 178.505 176.600 0.109 0.000 0.988 246 E CA 1.003 57.430 56.400 0.045 0.000 0.811 246 E CB -0.304 29.360 29.700 -0.059 0.000 0.746 246 E HN 0.479 nan 8.360 nan 0.000 0.466 247 L N 0.387 121.634 121.223 0.041 0.000 2.156 247 L HA -0.090 4.249 4.340 -0.000 0.000 0.208 247 L C 2.536 179.576 176.870 0.284 0.000 1.095 247 L CA 0.666 55.573 54.840 0.112 0.000 0.770 247 L CB -0.372 41.663 42.059 -0.040 0.000 0.914 247 L HN 0.133 nan 8.230 nan 0.000 0.439 248 A N -0.020 123.033 122.820 0.387 0.000 1.897 248 A HA -0.236 4.084 4.320 -0.000 0.000 0.215 248 A C 2.162 179.880 177.584 0.223 0.000 1.181 248 A CA 1.090 53.317 52.037 0.317 0.000 0.620 248 A CB -0.766 18.431 19.000 0.327 0.000 0.821 248 A HN 0.359 nan 8.150 nan 0.000 0.443 249 F N 1.102 121.120 119.950 0.113 0.000 2.065 249 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 249 F C 2.573 178.413 175.800 0.066 0.000 1.112 249 F CA 1.877 59.922 58.000 0.074 0.000 1.212 249 F CB -0.314 38.720 39.000 0.056 0.000 0.975 249 F HN 0.260 nan 8.300 nan 0.000 0.476 250 A N 0.241 123.313 122.820 0.419 0.000 1.940 250 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 250 A C 2.198 179.865 177.584 0.139 0.000 1.176 250 A CA 1.667 53.877 52.037 0.289 0.000 0.631 250 A CB -1.553 17.578 19.000 0.219 0.000 0.814 250 A HN 0.540 nan 8.150 nan 0.000 0.446 251 A N -1.700 121.196 122.820 0.127 0.000 2.239 251 A HA 0.383 4.703 4.320 -0.000 0.000 0.209 251 A C 1.762 179.352 177.584 0.011 0.000 1.171 251 A CA 1.250 53.337 52.037 0.084 0.000 0.768 251 A CB -1.086 17.976 19.000 0.103 0.000 0.790 251 A HN 1.983 nan 8.150 nan 0.000 0.478 252 G N -1.178 107.591 108.800 -0.051 0.000 2.160 252 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 252 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 252 G C -0.086 174.768 174.900 -0.077 0.000 1.022 252 G CA 0.283 45.318 45.100 -0.109 0.000 0.741 252 G HN 0.466 nan 8.290 nan 0.000 0.508 253 L N 0.231 121.420 121.223 -0.056 0.000 2.325 253 L HA 0.733 5.073 4.340 -0.000 0.000 0.279 253 L C 1.144 177.987 176.870 -0.045 0.000 1.054 253 L CA -0.624 54.201 54.840 -0.024 0.000 0.804 253 L CB 1.562 43.623 42.059 0.005 0.000 1.200 253 L HN 0.310 nan 8.230 nan 0.000 0.436 254 A N 2.898 125.697 122.820 -0.035 0.000 2.520 254 A HA 0.467 4.787 4.320 -0.000 0.000 0.245 254 A C -0.148 177.450 177.584 0.023 0.000 1.072 254 A CA -0.182 51.841 52.037 -0.024 0.000 0.761 254 A CB 0.108 19.095 19.000 -0.021 0.000 1.004 254 A HN 0.610 nan 8.150 nan 0.000 0.499 255 V N 1.085 121.036 119.914 0.062 0.000 3.007 255 V HA 0.692 4.812 4.120 -0.000 0.000 0.311 255 V C -0.034 176.124 176.094 0.107 0.000 1.120 255 V CA -0.504 61.863 62.300 0.111 0.000 0.980 255 V CB 1.754 33.694 31.823 0.195 0.000 1.033 255 V HN 1.039 nan 8.190 nan 0.000 0.429 256 N N 0.802 119.559 118.700 0.094 0.000 2.517 256 N HA 0.242 4.982 4.740 -0.000 0.000 0.121 256 N C 1.229 176.787 175.510 0.079 0.000 1.776 256 N CA -0.345 52.754 53.050 0.080 0.000 1.255 256 N CB 0.870 39.391 38.487 0.057 0.000 0.954 256 N HN 0.656 nan 8.380 nan 0.000 0.414 257 R N 0.812 121.352 120.500 0.067 0.000 2.062 257 R HA 0.221 4.561 4.340 -0.000 0.000 0.229 257 R C 0.814 177.162 176.300 0.081 0.000 1.128 257 R CA 1.759 57.899 56.100 0.068 0.000 0.960 257 R CB -1.033 29.303 30.300 0.060 0.000 0.855 257 R HN 0.408 nan 8.270 nan 0.000 0.432 258 G N -1.197 107.652 108.800 0.082 0.000 3.075 258 G HA2 0.452 4.412 3.960 -0.000 0.000 0.253 258 G HA3 0.452 4.412 3.960 -0.000 0.000 0.253 258 G C -0.798 174.159 174.900 0.095 0.000 1.353 258 G CA -0.871 44.288 45.100 0.098 0.000 1.051 258 G HN 0.138 nan 8.290 nan 0.000 0.553 259 I N 0.772 121.399 120.570 0.094 0.000 2.598 259 I HA 0.054 4.224 4.170 -0.000 0.000 0.284 259 I C 0.095 176.226 176.117 0.024 0.000 1.140 259 I CA -0.106 61.232 61.300 0.063 0.000 1.420 259 I CB 1.171 39.185 38.000 0.024 0.000 1.387 259 I HN -0.131 nan 8.210 nan 0.000 0.553 260 V N 8.120 128.044 119.914 0.018 0.000 2.439 260 V HA 0.173 4.293 4.120 -0.000 0.000 0.271 260 V C 0.275 176.355 176.094 -0.024 0.000 1.040 260 V CA -0.224 62.077 62.300 0.001 0.000 1.002 260 V CB 0.842 32.667 31.823 0.003 0.000 1.000 260 V HN 0.559 nan 8.190 nan 0.000 0.477 261 V N 2.000 121.898 119.914 -0.027 0.000 2.914 261 V HA 0.808 4.927 4.120 -0.000 0.000 0.314 261 V C -0.426 175.643 176.094 -0.040 0.000 1.084 261 V CA -1.061 61.215 62.300 -0.040 0.000 0.963 261 V CB 2.139 33.942 31.823 -0.032 0.000 1.025 261 V HN 0.747 nan 8.190 nan 0.000 0.432 262 D N 2.103 122.477 120.400 -0.044 0.000 2.447 262 D HA 0.294 4.934 4.640 -0.000 0.000 0.265 262 D C 0.897 177.165 176.300 -0.053 0.000 1.250 262 D CA -0.665 53.306 54.000 -0.047 0.000 1.046 262 D CB 0.505 41.279 40.800 -0.043 0.000 1.095 262 D HN 0.523 nan 8.370 nan 0.000 0.555 263 R N -0.862 119.597 120.500 -0.069 0.000 2.328 263 R HA -0.033 4.306 4.340 -0.000 0.000 0.207 263 R C 1.372 177.646 176.300 -0.043 0.000 1.056 263 R CA 1.075 57.120 56.100 -0.091 0.000 1.016 263 R CB -0.336 29.898 30.300 -0.110 0.000 0.872 263 R HN 0.566 nan 8.270 nan 0.000 0.471 264 S N 0.071 115.767 115.700 -0.006 0.000 2.577 264 S HA 0.098 4.567 4.470 -0.000 0.000 0.219 264 S C 0.876 175.536 174.600 0.099 0.000 0.962 264 S CA -0.305 57.919 58.200 0.040 0.000 0.921 264 S CB 0.266 63.499 63.200 0.056 0.000 0.789 264 S HN 0.219 nan 8.310 nan 0.000 0.497 265 L N -0.590 120.671 121.223 0.063 0.000 4.759 265 L HA -0.155 4.185 4.340 -0.000 0.000 0.419 265 L C 0.226 177.177 176.870 0.135 0.000 1.093 265 L CA 0.826 55.722 54.840 0.092 0.000 1.037 265 L CB -2.618 39.496 42.059 0.092 0.000 2.095 265 L HN 0.553 nan 8.230 nan 0.000 0.739 266 R N 1.246 121.775 120.500 0.048 0.000 2.401 266 R HA 0.339 4.679 4.340 -0.000 0.000 0.299 266 R C 1.280 177.471 176.300 -0.182 0.000 1.064 266 R CA 0.648 56.624 56.100 -0.207 0.000 1.000 266 R CB 0.819 31.009 30.300 -0.183 0.000 0.973 266 R HN 0.393 nan 8.270 nan 0.000 0.438 267 T N -1.022 113.387 114.554 -0.241 0.000 2.689 267 T HA -0.031 4.319 4.350 -0.000 0.000 0.308 267 T C 1.558 176.183 174.700 -0.125 0.000 1.021 267 T CA -0.173 61.839 62.100 -0.147 0.000 0.973 267 T CB 0.776 69.562 68.868 -0.136 0.000 1.113 267 T HN 0.583 nan 8.240 nan 0.000 0.522 268 S N -1.458 114.199 115.700 -0.072 0.000 2.507 268 S HA -0.045 4.424 4.470 -0.000 0.000 0.235 268 S C 0.535 175.100 174.600 -0.059 0.000 0.988 268 S CA 0.431 58.594 58.200 -0.062 0.000 0.944 268 S CB -0.890 62.287 63.200 -0.039 0.000 0.762 268 S HN 0.944 nan 8.310 nan 0.000 0.526 269 H N 0.816 119.806 119.070 -0.132 0.000 2.495 269 H HA 0.651 5.206 4.556 -0.000 0.000 0.348 269 H C 0.074 175.306 175.328 -0.160 0.000 1.113 269 H CA -0.272 55.706 56.048 -0.117 0.000 1.195 269 H CB 1.317 31.030 29.762 -0.082 0.000 1.521 269 H HN 0.278 nan 8.280 nan 0.000 0.509 270 A N 3.220 125.837 122.820 -0.337 0.000 2.555 270 A HA 0.032 4.352 4.320 -0.000 0.000 0.233 270 A C 0.612 178.231 177.584 0.058 0.000 1.060 270 A CA 0.703 52.650 52.037 -0.151 0.000 0.759 270 A CB -0.536 18.364 19.000 -0.166 0.000 0.995 270 A HN 1.185 nan 8.150 nan 0.000 0.506 271 N N -1.706 116.966 118.700 -0.047 0.000 2.909 271 N HA -0.174 4.566 4.740 -0.000 0.000 0.242 271 N C -0.693 174.801 175.510 -0.027 0.000 0.975 271 N CA 1.356 54.456 53.050 0.082 0.000 0.921 271 N CB -1.479 37.162 38.487 0.256 0.000 1.112 271 N HN 0.656 nan 8.380 nan 0.000 0.581 272 I N 0.316 120.731 120.570 -0.259 0.000 2.466 272 I HA 0.431 4.600 4.170 -0.000 0.000 0.289 272 I C -0.525 175.314 176.117 -0.464 0.000 1.026 272 I CA -0.790 60.342 61.300 -0.280 0.000 1.078 272 I CB 1.005 38.887 38.000 -0.197 0.000 1.249 272 I HN -0.075 nan 8.210 nan 0.000 0.429 273 Y N 3.823 123.999 120.300 -0.206 0.000 2.633 273 Y HA 0.879 5.428 4.550 -0.000 0.000 0.339 273 Y C 0.116 175.877 175.900 -0.231 0.000 1.045 273 Y CA -1.009 56.983 58.100 -0.181 0.000 1.098 273 Y CB 2.119 40.478 38.460 -0.168 0.000 1.296 273 Y HN 0.579 nan 8.280 nan 0.000 0.494 274 A N 1.586 124.392 122.820 -0.024 0.000 2.574 274 A HA 0.881 5.200 4.320 -0.000 0.000 0.297 274 A C -1.788 175.750 177.584 -0.077 0.000 1.062 274 A CA -0.647 51.310 52.037 -0.133 0.000 0.686 274 A CB 1.608 20.496 19.000 -0.186 0.000 1.285 274 A HN 0.907 nan 8.150 nan 0.000 0.403 275 L N -0.725 120.439 121.223 -0.099 0.000 2.720 275 L HA 0.931 5.270 4.340 -0.000 0.000 0.261 275 L C 0.269 177.110 176.870 -0.048 0.000 1.046 275 L CA -0.066 54.743 54.840 -0.051 0.000 0.886 275 L CB 1.473 43.507 42.059 -0.042 0.000 1.493 275 L HN 2.589 nan 8.230 nan 0.000 0.407 276 G N 1.154 109.939 108.800 -0.025 0.000 2.584 276 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.229 276 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.229 276 G C 0.007 174.913 174.900 0.009 0.000 1.320 276 G CA 0.489 45.578 45.100 -0.019 0.000 0.891 276 G HN 0.942 nan 8.290 nan 0.000 0.573 277 D N -0.234 120.185 120.400 0.031 0.000 2.190 277 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 277 D C 2.581 178.934 176.300 0.088 0.000 0.992 277 D CA 2.320 56.358 54.000 0.063 0.000 0.854 277 D CB -0.606 40.241 40.800 0.079 0.000 0.936 277 D HN 0.988 nan 8.370 nan 0.000 0.462 278 C N -0.079 119.280 119.300 0.099 0.000 2.481 278 C HA 0.546 5.006 4.460 -0.000 0.000 0.275 278 C C 1.257 176.295 174.990 0.080 0.000 1.419 278 C CA -0.444 58.661 59.018 0.145 0.000 1.773 278 C CB -1.059 26.809 27.740 0.213 0.000 1.862 278 C HN 0.144 nan 8.230 nan 0.000 0.530 279 A N 0.975 123.816 122.820 0.036 0.000 2.306 279 A HA 0.598 4.918 4.320 -0.000 0.000 0.314 279 A C -0.217 177.391 177.584 0.040 0.000 1.164 279 A CA -0.218 51.829 52.037 0.017 0.000 0.822 279 A CB 0.275 19.272 19.000 -0.005 0.000 1.130 279 A HN 0.659 nan 8.150 nan 0.000 0.496 280 E N 2.425 122.646 120.200 0.034 0.000 2.101 280 E HA 0.480 4.830 4.350 -0.000 0.000 0.260 280 E C -1.575 175.034 176.600 0.015 0.000 0.897 280 E CA -0.431 55.991 56.400 0.037 0.000 0.744 280 E CB 1.005 30.730 29.700 0.042 0.000 1.140 280 E HN 0.359 nan 8.360 nan 0.000 0.419 281 V N 5.071 124.992 119.914 0.013 0.000 2.318 281 V HA 0.104 4.224 4.120 -0.000 0.000 0.271 281 V C 0.187 176.234 176.094 -0.077 0.000 1.030 281 V CA -0.460 61.819 62.300 -0.035 0.000 0.844 281 V CB 0.854 32.656 31.823 -0.035 0.000 1.015 281 V HN 0.927 nan 8.190 nan 0.000 0.460 282 D N 4.573 124.931 120.400 -0.070 0.000 2.686 282 D HA -0.193 4.447 4.640 -0.000 0.000 0.235 282 D C 1.269 177.542 176.300 -0.044 0.000 1.160 282 D CA 1.953 55.910 54.000 -0.071 0.000 0.645 282 D CB -1.097 39.634 40.800 -0.116 0.000 1.039 282 D HN 1.354 nan 8.370 nan 0.000 0.423 283 G N -1.381 107.410 108.800 -0.016 0.000 2.195 283 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.246 283 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.246 283 G C 0.315 175.231 174.900 0.027 0.000 0.984 283 G CA 0.244 45.347 45.100 0.007 0.000 0.633 283 G HN 0.572 nan 8.290 nan 0.000 0.525 284 L N 1.202 122.443 121.223 0.031 0.000 2.295 284 L HA 0.471 4.811 4.340 -0.000 0.000 0.281 284 L C -0.131 176.795 176.870 0.094 0.000 1.018 284 L CA -0.897 53.990 54.840 0.078 0.000 0.841 284 L CB 1.569 43.701 42.059 0.122 0.000 1.218 284 L HN 0.148 nan 8.230 nan 0.000 0.424 285 N N 5.024 123.777 118.700 0.088 0.000 2.589 285 N HA 0.412 5.152 4.740 -0.000 0.000 0.232 285 N C -1.266 174.304 175.510 0.101 0.000 1.015 285 N CA -0.209 52.893 53.050 0.086 0.000 0.931 285 N CB 0.546 39.079 38.487 0.077 0.000 1.150 285 N HN 0.494 nan 8.380 nan 0.000 0.512 286 L N 4.231 125.503 121.223 0.081 0.000 2.318 286 L HA 0.380 4.720 4.340 -0.000 0.000 0.277 286 L C 0.081 176.988 176.870 0.061 0.000 1.008 286 L CA -0.650 54.239 54.840 0.082 0.000 0.846 286 L CB 1.404 43.410 42.059 -0.088 0.000 1.220 286 L HN 0.405 nan 8.230 nan 0.000 0.423 287 L N 5.475 126.826 121.223 0.213 0.000 2.873 287 L HA 0.220 4.560 4.340 -0.000 0.000 0.236 287 L C -0.302 176.735 176.870 0.278 0.000 1.375 287 L CA -0.066 54.880 54.840 0.176 0.000 1.239 287 L CB -1.164 40.976 42.059 0.136 0.000 1.603 287 L HN 0.564 nan 8.230 nan 0.000 0.430 288 Y N -4.632 115.653 120.300 -0.024 0.000 2.829 288 Y HA 0.506 5.055 4.550 -0.000 0.000 0.322 288 Y C 0.471 176.337 175.900 -0.056 0.000 1.357 288 Y CA -1.280 56.796 58.100 -0.040 0.000 1.081 288 Y CB 0.771 39.204 38.460 -0.045 0.000 1.339 288 Y HN -0.296 nan 8.280 nan 0.000 0.469 289 V N 0.830 120.778 119.914 0.057 0.000 2.379 289 V HA -0.168 3.952 4.120 -0.000 0.000 0.243 289 V C 2.125 178.139 176.094 -0.133 0.000 1.035 289 V CA 1.875 64.149 62.300 -0.044 0.000 1.035 289 V CB -0.600 31.223 31.823 -0.001 0.000 0.673 289 V HN 0.921 nan 8.190 nan 0.000 0.457 290 M N 0.499 120.022 119.600 -0.128 0.000 2.151 290 M HA -0.188 4.291 4.480 -0.000 0.000 0.256 290 M C 0.034 176.112 176.300 -0.369 0.000 1.072 290 M CA 2.694 57.875 55.300 -0.198 0.000 1.090 290 M CB -1.730 30.799 32.600 -0.119 0.000 1.294 290 M HN 0.308 nan 8.290 nan 0.000 0.415 291 P HA -0.149 nan 4.420 nan 0.000 0.217 291 P C 1.727 178.828 177.300 -0.332 0.000 1.150 291 P CA 1.303 63.958 63.100 -0.741 0.000 0.832 291 P CB -0.369 30.768 31.700 -0.938 0.000 0.787 292 L N -1.439 119.636 121.223 -0.247 0.000 2.043 292 L HA -0.183 4.156 4.340 -0.000 0.000 0.212 292 L C 2.359 179.182 176.870 -0.078 0.000 1.075 292 L CA 2.001 56.772 54.840 -0.116 0.000 0.752 292 L CB -0.620 41.382 42.059 -0.095 0.000 0.891 292 L HN -0.143 nan 8.230 nan 0.000 0.432 293 M N -0.177 119.367 119.600 -0.094 0.000 2.132 293 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 293 M C 2.545 178.826 176.300 -0.032 0.000 1.065 293 M CA 1.765 57.034 55.300 -0.053 0.000 1.122 293 M CB -1.583 30.986 32.600 -0.051 0.000 1.365 293 M HN 0.495 nan 8.290 nan 0.000 0.411 294 A N -0.371 122.421 122.820 -0.047 0.000 1.902 294 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 294 A C 2.532 180.154 177.584 0.064 0.000 1.181 294 A CA 1.888 53.937 52.037 0.020 0.000 0.623 294 A CB -1.287 17.742 19.000 0.049 0.000 0.818 294 A HN 0.574 nan 8.150 nan 0.000 0.443 295 C N -1.016 118.328 119.300 0.073 0.000 2.425 295 C HA 0.046 4.505 4.460 -0.000 0.000 0.277 295 C C 3.302 178.302 174.990 0.016 0.000 1.280 295 C CA 0.753 59.809 59.018 0.063 0.000 1.744 295 C CB -1.399 26.379 27.740 0.063 0.000 1.989 295 C HN 0.704 nan 8.230 nan 0.000 0.491 296 A N 0.436 123.258 122.820 0.003 0.000 1.930 296 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 296 A C 2.259 179.851 177.584 0.013 0.000 1.175 296 A CA 1.282 53.319 52.037 -0.001 0.000 0.627 296 A CB -0.480 18.521 19.000 0.003 0.000 0.815 296 A HN 0.659 nan 8.150 nan 0.000 0.443 297 R N -0.666 119.844 120.500 0.017 0.000 2.075 297 R HA -0.048 4.291 4.340 -0.000 0.000 0.232 297 R C 2.496 178.808 176.300 0.021 0.000 1.126 297 R CA 1.220 57.333 56.100 0.022 0.000 0.963 297 R CB -0.382 29.929 30.300 0.019 0.000 0.858 297 R HN 0.514 nan 8.270 nan 0.000 0.435 298 A N 1.063 123.894 122.820 0.018 0.000 1.872 298 A HA -0.114 4.205 4.320 -0.000 0.000 0.214 298 A C 2.038 179.618 177.584 -0.008 0.000 1.187 298 A CA 0.778 52.822 52.037 0.012 0.000 0.614 298 A CB -0.458 18.553 19.000 0.018 0.000 0.826 298 A HN 0.200 nan 8.150 nan 0.000 0.442 299 L N 0.044 121.249 121.223 -0.030 0.000 2.083 299 L HA -0.078 4.261 4.340 -0.000 0.000 0.209 299 L C 2.666 179.479 176.870 -0.096 0.000 1.083 299 L CA 2.047 56.825 54.840 -0.103 0.000 0.752 299 L CB -0.916 41.062 42.059 -0.135 0.000 0.899 299 L HN 0.374 nan 8.230 nan 0.000 0.433 300 A N -1.057 121.759 122.820 -0.008 0.000 1.892 300 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 300 A C 2.156 179.821 177.584 0.134 0.000 1.188 300 A CA 1.945 54.051 52.037 0.116 0.000 0.631 300 A CB -0.625 18.456 19.000 0.135 0.000 0.822 300 A HN 0.606 nan 8.150 nan 0.000 0.447 301 Q N -0.737 119.098 119.800 0.058 0.000 2.030 301 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 301 Q C 2.288 178.309 176.000 0.035 0.000 0.986 301 Q CA 2.173 58.002 55.803 0.043 0.000 0.843 301 Q CB -1.177 27.574 28.738 0.021 0.000 0.904 301 Q HN 0.689 nan 8.270 nan 0.000 0.420 302 T N 2.076 116.625 114.554 -0.007 0.000 2.746 302 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 302 T C 2.027 176.693 174.700 -0.057 0.000 1.039 302 T CA 0.852 62.932 62.100 -0.033 0.000 1.142 302 T CB -0.239 68.591 68.868 -0.064 0.000 0.866 302 T HN 0.176 nan 8.240 nan 0.000 0.444 303 L N 0.512 121.666 121.223 -0.115 0.000 2.275 303 L HA 0.027 4.366 4.340 -0.000 0.000 0.215 303 L C 2.383 179.366 176.870 0.189 0.000 1.119 303 L CA 0.704 55.483 54.840 -0.102 0.000 0.790 303 L CB -0.396 41.460 42.059 -0.337 0.000 0.919 303 L HN 0.211 nan 8.230 nan 0.000 0.443 304 A N -0.714 122.241 122.820 0.225 0.000 2.415 304 A HA 0.439 4.759 4.320 -0.000 0.000 0.248 304 A C 1.535 179.172 177.584 0.088 0.000 1.299 304 A CA 0.502 52.653 52.037 0.190 0.000 0.899 304 A CB -0.177 18.882 19.000 0.098 0.000 0.997 304 A HN 0.453 nan 8.150 nan 0.000 0.506 305 G N -0.178 108.666 108.800 0.072 0.000 2.141 305 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 305 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 305 G C 0.014 174.933 174.900 0.032 0.000 0.982 305 G CA 0.259 45.388 45.100 0.048 0.000 0.662 305 G HN 0.688 nan 8.290 nan 0.000 0.527 306 N N 1.151 119.869 118.700 0.030 0.000 2.936 306 N HA 0.519 5.259 4.740 -0.000 0.000 0.243 306 N C -2.660 172.861 175.510 0.019 0.000 1.149 306 N CA -2.000 51.062 53.050 0.020 0.000 0.914 306 N CB 1.161 39.657 38.487 0.015 0.000 1.179 306 N HN 0.058 nan 8.380 nan 0.000 0.502 307 P HA 0.070 nan 4.420 nan 0.000 0.262 307 P C -0.927 176.384 177.300 0.017 0.000 1.199 307 P CA 0.395 63.510 63.100 0.024 0.000 0.763 307 P CB 0.647 32.363 31.700 0.027 0.000 0.790 308 S N 2.472 118.182 115.700 0.016 0.000 2.569 308 S HA 0.449 4.919 4.470 -0.000 0.000 0.280 308 S C -0.894 173.711 174.600 0.008 0.000 1.111 308 S CA -0.775 57.431 58.200 0.010 0.000 0.887 308 S CB 1.820 65.026 63.200 0.010 0.000 1.095 308 S HN 0.345 nan 8.310 nan 0.000 0.476 309 Q N 1.284 121.085 119.800 0.001 0.000 2.377 309 Q HA 0.604 4.943 4.340 -0.000 0.000 0.271 309 Q C -0.421 175.572 176.000 -0.012 0.000 1.077 309 Q CA -0.990 54.806 55.803 -0.012 0.000 0.820 309 Q CB 2.091 30.815 28.738 -0.024 0.000 1.347 309 Q HN 0.664 nan 8.270 nan 0.000 0.444 310 V N -1.059 118.839 119.914 -0.026 0.000 3.051 310 V HA 0.746 4.866 4.120 -0.000 0.000 0.306 310 V C -0.141 175.918 176.094 -0.059 0.000 1.083 310 V CA -0.254 62.038 62.300 -0.012 0.000 1.104 310 V CB 1.021 32.842 31.823 -0.003 0.000 1.027 310 V HN 0.829 nan 8.190 nan 0.000 0.483 311 A N 2.858 125.683 122.820 0.008 0.000 3.156 311 A HA 0.550 4.870 4.320 -0.000 0.000 0.311 311 A C -0.695 176.958 177.584 0.115 0.000 1.129 311 A CA -0.565 51.469 52.037 -0.005 0.000 0.809 311 A CB -0.092 18.910 19.000 0.003 0.000 1.257 311 A HN 0.759 nan 8.150 nan 0.000 0.491 312 Y N 0.773 121.063 120.300 -0.017 0.000 2.881 312 Y HA 0.201 4.750 4.550 -0.000 0.000 0.335 312 Y C 1.402 177.297 175.900 -0.008 0.000 1.263 312 Y CA 0.993 59.082 58.100 -0.019 0.000 1.572 312 Y CB -0.045 38.399 38.460 -0.027 0.000 1.237 312 Y HN 0.632 nan 8.280 nan 0.000 0.568 313 G N 4.283 113.167 108.800 0.141 0.000 2.509 313 G HA2 0.440 4.400 3.960 -0.000 0.000 0.269 313 G HA3 0.440 4.400 3.960 -0.000 0.000 0.269 313 G C -2.729 172.209 174.900 0.064 0.000 1.416 313 G CA -1.634 43.514 45.100 0.080 0.000 1.052 313 G HN 0.360 nan 8.290 nan 0.000 0.542 314 P HA 0.225 nan 4.420 nan 0.000 0.268 314 P C -0.495 176.826 177.300 0.034 0.000 1.204 314 P CA 0.574 63.696 63.100 0.037 0.000 0.768 314 P CB 0.560 32.281 31.700 0.036 0.000 0.842 315 M N 4.143 123.772 119.600 0.048 0.000 2.067 315 M HA 0.281 4.761 4.480 -0.000 0.000 0.214 315 M C -2.583 173.806 176.300 0.148 0.000 0.891 315 M CA -1.729 53.630 55.300 0.098 0.000 0.697 315 M CB 1.614 34.243 32.600 0.047 0.000 1.616 315 M HN 0.086 nan 8.290 nan 0.000 0.354 316 P HA 0.090 nan 4.420 nan 0.000 0.269 316 P C -0.624 176.650 177.300 -0.043 0.000 1.209 316 P CA -0.240 62.851 63.100 -0.014 0.000 0.776 316 P CB 0.745 32.483 31.700 0.062 0.000 0.876 317 V N 3.507 123.320 119.914 -0.168 0.000 2.364 317 V HA 0.172 4.292 4.120 -0.000 0.000 0.272 317 V C 0.401 176.431 176.094 -0.107 0.000 1.036 317 V CA -0.062 62.075 62.300 -0.272 0.000 0.880 317 V CB 0.908 32.455 31.823 -0.461 0.000 0.991 317 V HN 0.508 nan 8.190 nan 0.000 0.460 318 T N 5.234 119.747 114.554 -0.068 0.000 2.727 318 T HA 0.354 4.703 4.350 -0.000 0.000 0.298 318 T C -0.010 174.663 174.700 -0.045 0.000 0.942 318 T CA -0.182 61.903 62.100 -0.025 0.000 0.997 318 T CB 0.984 69.853 68.868 0.001 0.000 0.917 318 T HN 0.352 nan 8.240 nan 0.000 0.487 319 V N 5.531 125.424 119.914 -0.035 0.000 2.406 319 V HA 0.202 4.321 4.120 -0.000 0.000 0.272 319 V C 0.729 176.807 176.094 -0.026 0.000 1.043 319 V CA -0.692 61.583 62.300 -0.042 0.000 0.915 319 V CB 0.832 32.634 31.823 -0.036 0.000 0.988 319 V HN 0.761 nan 8.190 nan 0.000 0.466 320 K N 3.697 124.075 120.400 -0.036 0.000 2.278 320 K HA 0.201 4.520 4.320 -0.000 0.000 0.237 320 K C 0.168 176.764 176.600 -0.006 0.000 1.229 320 K CA -0.029 56.245 56.287 -0.021 0.000 1.155 320 K CB -0.249 32.232 32.500 -0.032 0.000 1.590 320 K HN 0.818 nan 8.250 nan 0.000 0.290 321 T N -1.449 113.110 114.554 0.009 0.000 3.150 321 T HA 0.232 4.582 4.350 -0.000 0.000 0.383 321 T C -2.301 172.418 174.700 0.031 0.000 1.313 321 T CA -2.199 59.917 62.100 0.027 0.000 1.235 321 T CB 1.341 70.228 68.868 0.032 0.000 1.088 321 T HN -0.005 nan 8.240 nan 0.000 0.556 322 P HA -0.071 nan 4.420 nan 0.000 0.218 322 P C 1.741 179.062 177.300 0.035 0.000 1.146 322 P CA 0.976 64.097 63.100 0.035 0.000 0.813 322 P CB -0.005 31.721 31.700 0.043 0.000 0.778 323 A N -2.055 120.790 122.820 0.043 0.000 2.019 323 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 323 A C 1.324 178.928 177.584 0.033 0.000 1.164 323 A CA 1.357 53.419 52.037 0.042 0.000 0.644 323 A CB -0.981 18.053 19.000 0.057 0.000 0.805 323 A HN 0.395 nan 8.150 nan 0.000 0.449 324 C N 0.138 119.456 119.300 0.029 0.000 3.296 324 C HA 0.493 4.953 4.460 -0.000 0.000 0.317 324 C C -3.054 171.945 174.990 0.015 0.000 1.040 324 C CA -2.186 56.843 59.018 0.018 0.000 1.352 324 C CB -0.020 27.729 27.740 0.014 0.000 1.797 324 C HN 0.229 nan 8.230 nan 0.000 0.552 325 P HA 0.271 nan 4.420 nan 0.000 0.265 325 P C -0.901 176.406 177.300 0.011 0.000 1.187 325 P CA 0.197 63.304 63.100 0.012 0.000 0.766 325 P CB 0.512 32.217 31.700 0.009 0.000 0.820 326 L N 4.096 125.327 121.223 0.013 0.000 2.493 326 L HA 0.529 4.868 4.340 -0.000 0.000 0.265 326 L C -1.614 175.278 176.870 0.035 0.000 0.954 326 L CA -0.553 54.300 54.840 0.021 0.000 0.844 326 L CB 2.227 44.293 42.059 0.013 0.000 1.302 326 L HN 0.060 nan 8.230 nan 0.000 0.405 327 V N 5.155 125.114 119.914 0.076 0.000 2.531 327 V HA 0.724 4.844 4.120 -0.000 0.000 0.301 327 V C -0.756 175.480 176.094 0.237 0.000 1.034 327 V CA -0.704 61.679 62.300 0.138 0.000 0.865 327 V CB 1.768 33.699 31.823 0.180 0.000 0.995 327 V HN 0.620 nan 8.190 nan 0.000 0.424 328 V N 3.881 123.865 119.914 0.117 0.000 2.656 328 V HA 0.793 4.912 4.120 -0.000 0.000 0.307 328 V C -0.315 175.691 176.094 -0.146 0.000 1.051 328 V CA 0.058 62.388 62.300 0.049 0.000 0.893 328 V CB 2.432 34.263 31.823 0.014 0.000 0.999 328 V HN 0.927 nan 8.190 nan 0.000 0.426 329 S N 7.993 123.471 115.700 -0.369 0.000 2.395 329 S HA 0.600 5.070 4.470 -0.000 0.000 0.207 329 S C -2.787 171.694 174.600 -0.198 0.000 1.454 329 S CA -1.195 56.754 58.200 -0.419 0.000 1.211 329 S CB 1.172 63.856 63.200 -0.859 0.000 1.093 329 S HN 0.705 nan 8.310 nan 0.000 0.472 330 P HA 0.223 nan 4.420 nan 0.000 0.267 330 P C -2.602 174.724 177.300 0.045 0.000 1.200 330 P CA -0.902 62.253 63.100 0.091 0.000 0.772 330 P CB -0.360 31.390 31.700 0.083 0.000 0.855 331 P HA 0.155 nan 4.420 nan 0.000 0.269 331 P C -2.335 174.983 177.300 0.030 0.000 1.209 331 P CA -1.035 62.066 63.100 0.002 0.000 0.776 331 P CB -1.084 30.602 31.700 -0.023 0.000 0.876 332 P HA 0.107 nan 4.420 nan 0.000 0.266 332 P C 0.062 177.384 177.300 0.036 0.000 1.195 332 P CA 0.196 63.317 63.100 0.034 0.000 0.768 332 P CB 0.396 32.111 31.700 0.025 0.000 0.838 333 R N 1.699 122.226 120.500 0.046 0.000 2.698 333 R HA 0.303 4.643 4.340 -0.000 0.000 0.266 333 R C 1.310 177.628 176.300 0.029 0.000 1.026 333 R CA 1.492 57.618 56.100 0.043 0.000 1.102 333 R CB -0.479 29.848 30.300 0.045 0.000 0.978 333 R HN 0.843 nan 8.270 nan 0.000 0.436 334 G N 2.243 111.060 108.800 0.028 0.000 2.221 334 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.265 334 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.265 334 G C -0.205 174.702 174.900 0.013 0.000 1.041 334 G CA 0.499 45.611 45.100 0.020 0.000 0.807 334 G HN 0.524 nan 8.290 nan 0.000 0.502 335 M N -0.284 119.324 119.600 0.013 0.000 2.284 335 M HA 0.557 5.037 4.480 -0.000 0.000 0.281 335 M C -1.984 174.312 176.300 -0.007 0.000 1.083 335 M CA -0.719 54.579 55.300 -0.003 0.000 0.965 335 M CB 1.903 34.498 32.600 -0.008 0.000 1.717 335 M HN 0.124 nan 8.290 nan 0.000 0.479 336 D N 1.759 122.146 120.400 -0.023 0.000 2.626 336 D HA 0.930 5.570 4.640 -0.000 0.000 0.278 336 D C -1.036 175.213 176.300 -0.085 0.000 1.211 336 D CA 0.233 54.209 54.000 -0.041 0.000 0.903 336 D CB 2.604 43.414 40.800 0.017 0.000 1.408 336 D HN 0.867 nan 8.370 nan 0.000 0.454 337 G N -0.120 108.595 108.800 -0.140 0.000 2.554 337 G HA2 0.443 4.403 3.960 -0.000 0.000 0.306 337 G HA3 0.443 4.403 3.960 -0.000 0.000 0.306 337 G C -1.517 173.277 174.900 -0.177 0.000 1.320 337 G CA -0.660 44.349 45.100 -0.152 0.000 0.800 337 G HN 0.352 nan 8.290 nan 0.000 0.481 338 Q N -0.494 119.229 119.800 -0.127 0.000 2.288 338 Q HA 0.437 4.777 4.340 -0.000 0.000 0.254 338 Q C -1.160 174.787 176.000 -0.088 0.000 0.932 338 Q CA 0.274 56.052 55.803 -0.041 0.000 0.902 338 Q CB 1.151 29.893 28.738 0.007 0.000 1.203 338 Q HN 0.483 nan 8.270 nan 0.000 0.415 339 W N 3.514 124.855 121.300 0.068 0.000 2.338 339 W HA 0.465 5.125 4.660 -0.000 0.000 0.307 339 W C -0.641 175.911 176.519 0.054 0.000 1.167 339 W CA -0.373 57.023 57.345 0.085 0.000 1.208 339 W CB 0.735 30.313 29.460 0.196 0.000 1.228 339 W HN 0.299 nan 8.180 nan 0.000 0.499 340 L N 4.413 125.775 121.223 0.232 0.000 2.356 340 L HA 0.488 4.828 4.340 -0.000 0.000 0.277 340 L C -0.485 176.425 176.870 0.067 0.000 0.996 340 L CA -1.264 53.650 54.840 0.123 0.000 0.822 340 L CB 1.570 43.667 42.059 0.064 0.000 1.256 340 L HN 0.007 nan 8.230 nan 0.000 0.413 341 V N 3.346 123.268 119.914 0.014 0.000 2.406 341 V HA 0.313 4.433 4.120 -0.000 0.000 0.272 341 V C 0.088 176.173 176.094 -0.015 0.000 1.043 341 V CA -0.584 61.686 62.300 -0.049 0.000 0.915 341 V CB 1.146 32.924 31.823 -0.074 0.000 0.988 341 V HN 0.646 nan 8.190 nan 0.000 0.466 342 E N 2.586 122.775 120.200 -0.017 0.000 2.281 342 E HA 0.798 5.148 4.350 -0.000 0.000 0.262 342 E C 0.408 176.997 176.600 -0.019 0.000 0.933 342 E CA 0.194 56.586 56.400 -0.012 0.000 0.809 342 E CB 2.178 31.872 29.700 -0.009 0.000 1.242 342 E HN 0.945 nan 8.360 nan 0.000 0.418 343 G N 0.753 109.544 108.800 -0.015 0.000 2.660 343 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.247 343 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.247 343 G C -0.547 174.345 174.900 -0.014 0.000 1.328 343 G CA -0.225 44.865 45.100 -0.016 0.000 0.884 343 G HN 0.977 nan 8.290 nan 0.000 0.531 344 S N -1.488 114.204 115.700 -0.013 0.000 2.638 344 S HA 0.948 5.418 4.470 -0.000 0.000 0.274 344 S C 1.345 175.938 174.600 -0.011 0.000 1.157 344 S CA 0.547 58.740 58.200 -0.011 0.000 0.826 344 S CB 1.325 64.521 63.200 -0.008 0.000 1.139 344 S HN 2.946 nan 8.310 nan 0.000 0.474 345 G N 1.679 110.473 108.800 -0.010 0.000 2.692 345 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.339 345 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.339 345 G C 0.910 175.802 174.900 -0.013 0.000 1.226 345 G CA 2.134 47.228 45.100 -0.010 0.000 0.979 345 G HN 2.157 nan 8.290 nan 0.000 0.549 346 T N -2.288 112.259 114.554 -0.011 0.000 3.054 346 T HA 0.375 4.724 4.350 -0.000 0.000 0.255 346 T C 0.178 174.870 174.700 -0.013 0.000 1.035 346 T CA 0.970 63.062 62.100 -0.013 0.000 0.941 346 T CB 0.414 69.276 68.868 -0.009 0.000 1.026 346 T HN 0.396 nan 8.240 nan 0.000 0.533 347 D N 2.519 122.912 120.400 -0.013 0.000 2.518 347 D HA 0.361 5.001 4.640 -0.000 0.000 0.230 347 D C -0.426 175.862 176.300 -0.020 0.000 1.138 347 D CA -0.125 53.866 54.000 -0.016 0.000 0.964 347 D CB 0.952 41.743 40.800 -0.015 0.000 1.011 347 D HN 0.434 nan 8.370 nan 0.000 0.517 348 L N 1.199 122.409 121.223 -0.022 0.000 2.317 348 L HA 0.405 4.745 4.340 -0.000 0.000 0.281 348 L C 0.379 177.233 176.870 -0.027 0.000 1.024 348 L CA -0.839 53.984 54.840 -0.027 0.000 0.810 348 L CB 2.101 44.139 42.059 -0.035 0.000 1.240 348 L HN -0.029 nan 8.230 nan 0.000 0.427 349 K N 2.968 123.351 120.400 -0.028 0.000 2.449 349 K HA 0.521 4.841 4.320 -0.000 0.000 0.257 349 K C -1.541 175.060 176.600 0.001 0.000 0.989 349 K CA -0.485 55.788 56.287 -0.022 0.000 0.916 349 K CB 1.421 33.898 32.500 -0.039 0.000 1.136 349 K HN 0.383 nan 8.250 nan 0.000 0.439 350 V N 6.469 126.408 119.914 0.041 0.000 2.347 350 V HA 0.385 4.505 4.120 -0.000 0.000 0.280 350 V C -0.288 175.968 176.094 0.269 0.000 1.021 350 V CA -0.758 61.592 62.300 0.082 0.000 0.847 350 V CB 0.978 32.757 31.823 -0.075 0.000 0.990 350 V HN 0.696 nan 8.190 nan 0.000 0.444 351 L N 4.339 125.689 121.223 0.213 0.000 2.346 351 L HA 0.565 4.905 4.340 -0.000 0.000 0.276 351 L C -0.407 176.418 176.870 -0.075 0.000 1.006 351 L CA -0.360 54.549 54.840 0.115 0.000 0.817 351 L CB 2.022 44.105 42.059 0.041 0.000 1.272 351 L HN 0.660 nan 8.230 nan 0.000 0.421 352 C N 4.064 123.093 119.300 -0.450 0.000 2.264 352 C HA 0.518 4.978 4.460 -0.000 0.000 0.324 352 C C 0.114 174.857 174.990 -0.411 0.000 1.267 352 C CA -0.530 57.978 59.018 -0.851 0.000 1.618 352 C CB -0.052 26.683 27.740 -1.674 0.000 2.278 352 C HN 0.793 nan 8.230 nan 0.000 0.499 353 R N 4.107 124.439 120.500 -0.280 0.000 2.514 353 R HA 0.442 4.781 4.340 -0.000 0.000 0.301 353 R C -0.283 175.931 176.300 -0.143 0.000 0.962 353 R CA -0.460 55.544 56.100 -0.159 0.000 0.882 353 R CB 1.640 31.885 30.300 -0.092 0.000 1.143 353 R HN 0.849 nan 8.270 nan 0.000 0.452 354 D N 0.546 120.881 120.400 -0.108 0.000 2.414 354 D HA -0.029 4.610 4.640 -0.000 0.000 0.259 354 D C 1.049 177.317 176.300 -0.053 0.000 1.269 354 D CA -0.389 53.563 54.000 -0.081 0.000 1.028 354 D CB 0.282 41.042 40.800 -0.065 0.000 1.093 354 D HN 0.522 nan 8.370 nan 0.000 0.545 355 T N -3.461 111.070 114.554 -0.038 0.000 2.915 355 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 355 T C 1.840 176.526 174.700 -0.022 0.000 1.071 355 T CA 0.949 63.033 62.100 -0.026 0.000 1.132 355 T CB -0.637 68.220 68.868 -0.018 0.000 0.878 355 T HN 0.529 nan 8.240 nan 0.000 0.479 356 A N 1.198 124.004 122.820 -0.023 0.000 2.119 356 A HA 0.483 4.803 4.320 -0.000 0.000 0.217 356 A C 2.205 179.777 177.584 -0.020 0.000 1.153 356 A CA 0.991 53.016 52.037 -0.019 0.000 0.692 356 A CB -1.117 17.872 19.000 -0.017 0.000 0.799 356 A HN 1.357 nan 8.150 nan 0.000 0.458 357 G N -1.455 107.329 108.800 -0.027 0.000 2.159 357 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.227 357 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.227 357 G C 0.273 175.155 174.900 -0.030 0.000 0.986 357 G CA 0.234 45.317 45.100 -0.028 0.000 0.651 357 G HN 0.754 nan 8.290 nan 0.000 0.523 358 R N 0.718 121.198 120.500 -0.033 0.000 2.308 358 R HA 0.499 4.839 4.340 -0.000 0.000 0.305 358 R C 0.326 176.599 176.300 -0.045 0.000 1.053 358 R CA -0.457 55.625 56.100 -0.030 0.000 0.957 358 R CB 0.809 31.094 30.300 -0.024 0.000 1.022 358 R HN 0.062 nan 8.270 nan 0.000 0.461 359 V N 7.742 127.638 119.914 -0.030 0.000 2.450 359 V HA -0.026 4.094 4.120 -0.000 0.000 0.281 359 V C 1.392 177.464 176.094 -0.037 0.000 1.019 359 V CA 0.464 62.744 62.300 -0.032 0.000 1.062 359 V CB 0.330 32.166 31.823 0.020 0.000 0.979 359 V HN 0.782 nan 8.190 nan 0.000 0.477 360 I N 2.146 122.658 120.570 -0.096 0.000 4.070 360 I HA 0.663 4.833 4.170 -0.000 0.000 0.328 360 I C 0.815 176.859 176.117 -0.123 0.000 1.298 360 I CA 0.321 61.563 61.300 -0.096 0.000 1.173 360 I CB 0.523 38.459 38.000 -0.108 0.000 1.051 360 I HN 0.590 nan 8.210 nan 0.000 0.409 361 G N 0.664 109.363 108.800 -0.168 0.000 2.623 361 G HA2 0.579 4.539 3.960 -0.000 0.000 0.290 361 G HA3 0.579 4.539 3.960 -0.000 0.000 0.290 361 G C -1.974 172.902 174.900 -0.040 0.000 1.437 361 G CA -0.399 44.597 45.100 -0.172 0.000 0.798 361 G HN 0.301 nan 8.290 nan 0.000 0.488 362 Y N -2.360 118.020 120.300 0.134 0.000 2.677 362 Y HA 0.863 5.413 4.550 -0.000 0.000 0.334 362 Y C -0.727 175.326 175.900 0.256 0.000 1.196 362 Y CA -1.833 56.394 58.100 0.211 0.000 1.059 362 Y CB 1.190 39.701 38.460 0.086 0.000 1.315 362 Y HN 1.435 nan 8.280 nan 0.000 0.455 363 A N 2.507 125.650 122.820 0.539 0.000 2.381 363 A HA 0.807 5.126 4.320 -0.000 0.000 0.299 363 A C -2.048 175.661 177.584 0.208 0.000 1.049 363 A CA -0.756 51.479 52.037 0.329 0.000 0.715 363 A CB 0.971 20.056 19.000 0.142 0.000 1.222 363 A HN 0.774 nan 8.150 nan 0.000 0.428 364 L N 2.582 123.898 121.223 0.154 0.000 2.376 364 L HA 0.677 5.017 4.340 -0.000 0.000 0.275 364 L C 0.199 177.082 176.870 0.022 0.000 0.987 364 L CA -0.530 54.326 54.840 0.026 0.000 0.828 364 L CB 2.386 44.401 42.059 -0.074 0.000 1.249 364 L HN 0.865 nan 8.230 nan 0.000 0.409 365 T N -0.667 113.887 114.554 0.001 0.000 2.908 365 T HA 0.813 5.163 4.350 -0.000 0.000 0.290 365 T C 0.565 175.260 174.700 -0.009 0.000 1.034 365 T CA 0.146 62.245 62.100 -0.001 0.000 1.010 365 T CB 2.127 70.992 68.868 -0.005 0.000 1.068 365 T HN 0.958 nan 8.240 nan 0.000 0.481 366 G N 1.790 110.587 108.800 -0.005 0.000 2.611 366 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.301 366 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.301 366 G C 1.270 176.165 174.900 -0.009 0.000 1.233 366 G CA 0.906 46.003 45.100 -0.005 0.000 0.993 366 G HN 1.873 nan 8.290 nan 0.000 0.553 367 A N -0.321 122.492 122.820 -0.012 0.000 2.070 367 A HA 0.309 4.629 4.320 -0.000 0.000 0.220 367 A C 2.899 180.468 177.584 -0.025 0.000 1.159 367 A CA 3.032 55.060 52.037 -0.015 0.000 0.656 367 A CB -0.853 18.139 19.000 -0.014 0.000 0.800 367 A HN 2.252 nan 8.150 nan 0.000 0.453 368 A N 0.078 122.879 122.820 -0.031 0.000 2.121 368 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 368 A C 2.155 179.698 177.584 -0.069 0.000 1.154 368 A CA 1.495 53.502 52.037 -0.050 0.000 0.679 368 A CB -1.114 17.856 19.000 -0.050 0.000 0.795 368 A HN 1.206 nan 8.150 nan 0.000 0.458 369 V N 0.265 120.150 119.914 -0.049 0.000 2.688 369 V HA -0.284 3.836 4.120 -0.000 0.000 0.256 369 V C 1.898 177.958 176.094 -0.056 0.000 1.084 369 V CA 2.151 64.421 62.300 -0.050 0.000 1.103 369 V CB -1.423 30.390 31.823 -0.016 0.000 0.688 369 V HN 0.758 nan 8.190 nan 0.000 0.480 370 N N 1.402 120.073 118.700 -0.048 0.000 2.443 370 N HA -0.227 4.513 4.740 -0.000 0.000 0.184 370 N C 1.446 176.921 175.510 -0.058 0.000 1.037 370 N CA 1.925 54.950 53.050 -0.041 0.000 0.896 370 N CB -0.638 37.831 38.487 -0.031 0.000 0.959 370 N HN 0.762 nan 8.380 nan 0.000 0.442 371 E N -0.054 120.091 120.200 -0.092 0.000 2.479 371 E HA 0.019 4.368 4.350 -0.000 0.000 0.193 371 E C 1.444 177.945 176.600 -0.165 0.000 1.049 371 E CA -0.198 56.131 56.400 -0.118 0.000 0.870 371 E CB 0.193 29.809 29.700 -0.139 0.000 0.944 371 E HN 0.465 nan 8.360 nan 0.000 0.492 372 K N 1.409 121.715 120.400 -0.157 0.000 2.032 372 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 372 K C 1.953 178.524 176.600 -0.049 0.000 1.048 372 K CA 1.053 57.251 56.287 -0.148 0.000 0.927 372 K CB 0.005 32.481 32.500 -0.039 0.000 0.712 372 K HN 0.148 nan 8.250 nan 0.000 0.441 373 L N 0.314 121.522 121.223 -0.025 0.000 2.056 373 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 373 L C 2.694 179.563 176.870 -0.002 0.000 1.078 373 L CA 1.102 55.943 54.840 0.002 0.000 0.749 373 L CB -0.573 41.486 42.059 0.001 0.000 0.901 373 L HN 0.308 nan 8.230 nan 0.000 0.433 374 A N 0.358 123.163 122.820 -0.025 0.000 1.865 374 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 374 A C 2.220 179.796 177.584 -0.013 0.000 1.191 374 A CA 1.563 53.587 52.037 -0.022 0.000 0.623 374 A CB -0.792 18.186 19.000 -0.036 0.000 0.826 374 A HN 0.356 nan 8.150 nan 0.000 0.444 375 L N -0.396 120.801 121.223 -0.044 0.000 2.141 375 L HA -0.173 4.166 4.340 -0.000 0.000 0.209 375 L C 2.096 179.038 176.870 0.121 0.000 1.094 375 L CA 0.933 55.767 54.840 -0.011 0.000 0.763 375 L CB -0.656 41.287 42.059 -0.192 0.000 0.908 375 L HN 0.343 nan 8.230 nan 0.000 0.437 376 N N 0.705 119.489 118.700 0.140 0.000 2.258 376 N HA -0.193 4.547 4.740 -0.000 0.000 0.187 376 N C 1.511 177.076 175.510 0.092 0.000 1.012 376 N CA 1.182 54.326 53.050 0.157 0.000 0.870 376 N CB -0.171 38.388 38.487 0.121 0.000 0.977 376 N HN 0.372 nan 8.380 nan 0.000 0.434 377 K N 0.317 120.754 120.400 0.061 0.000 2.504 377 K HA 0.003 4.323 4.320 -0.000 0.000 0.195 377 K C 0.905 177.528 176.600 0.038 0.000 1.036 377 K CA 0.578 56.889 56.287 0.040 0.000 0.984 377 K CB 0.248 32.763 32.500 0.025 0.000 0.788 377 K HN 0.156 nan 8.250 nan 0.000 0.488 378 E N 0.527 120.758 120.200 0.052 0.000 2.340 378 E HA 0.071 4.421 4.350 -0.000 0.000 0.194 378 E C 0.527 177.150 176.600 0.037 0.000 0.996 378 E CA 0.241 56.666 56.400 0.041 0.000 0.869 378 E CB 0.186 29.913 29.700 0.047 0.000 0.835 378 E HN 0.254 nan 8.360 nan 0.000 0.493 379 L N 4.004 125.257 121.223 0.051 0.000 2.416 379 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 379 L C -1.853 175.029 176.870 0.020 0.000 1.161 379 L CA -1.533 53.327 54.840 0.033 0.000 0.845 379 L CB 0.043 42.125 42.059 0.038 0.000 1.119 379 L HN -0.103 nan 8.230 nan 0.000 0.464 380 P HA 0.143 nan 4.420 nan 0.000 0.276 380 P C -0.140 177.173 177.300 0.022 0.000 1.244 380 P CA -0.378 62.729 63.100 0.011 0.000 0.801 380 P CB 0.791 32.492 31.700 0.002 0.000 1.006 381 G N 0.848 109.667 108.800 0.031 0.000 2.594 381 G HA2 0.161 4.121 3.960 -0.000 0.000 0.243 381 G HA3 0.161 4.121 3.960 -0.000 0.000 0.243 381 G C 1.062 175.998 174.900 0.060 0.000 1.229 381 G CA -0.616 44.515 45.100 0.051 0.000 0.843 381 G HN 0.471 nan 8.290 nan 0.000 0.578 382 L N -0.021 121.261 121.223 0.099 0.000 2.275 382 L HA 0.105 4.444 4.340 -0.000 0.000 0.215 382 L C 1.305 178.232 176.870 0.095 0.000 1.119 382 L CA 0.883 55.795 54.840 0.119 0.000 0.790 382 L CB -0.310 41.866 42.059 0.195 0.000 0.919 382 L HN 0.374 nan 8.230 nan 0.000 0.443 383 M N -1.186 118.459 119.600 0.074 0.000 2.528 383 M HA 0.537 5.017 4.480 -0.000 0.000 0.321 383 M C -0.184 176.117 176.300 0.003 0.000 1.153 383 M CA -0.432 54.868 55.300 0.002 0.000 0.951 383 M CB 2.293 34.846 32.600 -0.080 0.000 1.705 383 M HN -0.080 nan 8.290 nan 0.000 0.451 384 A N 0.000 122.814 122.820 -0.011 0.000 2.254 384 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 384 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 384 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 384 A HN 0.000 nan 8.150 nan 0.000 0.486