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 3l2g_1_N DATA FIRST_RESID 9 DATA SEQUENCE FVKNRVGHSK PWESGKFKAA DNFPDLSKHN NVMASQLTKE LYEKYWDKVT DATA SEQUENCE PNGVTFDKCI QTGVDNPGNK FYGKKTGCVF GDEYSYECYK EFFDKCIEEI DATA SEQUENCE HHFKPSDKHP APDLDHNKLV GGVFEDKYVK SCRIRCGRSV KGVCLPPAMS DATA SEQUENCE RAERRLVEKV VSDALGGLKG DLAGKYYPLT TMNEKDQEQL IEDHFLFEKP DATA SEQUENCE TGALLTTSGC ARDWPDGRGI WHNNEKNFLV WINEEDHIRV ISMQKGGDLK DATA SEQUENCE AVFSRFARGL LEVERLMKEC GHGLMHNDRL GYICTCPTNM GTVVRASVHL DATA SEQUENCE RLAFLEKHPR FDEMLGKLRL GKRGTGGESS LATDSTYDIS NWARLGKSER DATA SEQUENCE ELVQVLVDGV NLLIACDKKL EAGQSIDDMI PK 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.812 175.800 0.020 0.000 0.967 9 F CA 0.000 58.011 58.000 0.017 0.000 1.383 9 F CB 0.000 39.010 39.000 0.017 0.000 1.145 10 V N 3.063 122.943 119.914 -0.057 0.000 2.223 10 V HA -0.312 3.808 4.120 -0.000 0.000 0.244 10 V C 2.128 178.144 176.094 -0.130 0.000 1.045 10 V CA 2.776 64.986 62.300 -0.150 0.000 1.000 10 V CB -0.683 31.114 31.823 -0.044 0.000 0.635 10 V HN 0.419 nan 8.190 nan 0.000 0.445 11 K N 0.335 120.704 120.400 -0.051 0.000 2.515 11 K HA -0.061 4.259 4.320 -0.000 0.000 0.196 11 K C 0.976 177.571 176.600 -0.009 0.000 1.038 11 K CA 1.455 57.730 56.287 -0.021 0.000 0.967 11 K CB -0.279 32.227 32.500 0.011 0.000 0.780 11 K HN 0.435 nan 8.250 nan 0.000 0.483 12 N N 1.529 120.206 118.700 -0.040 0.000 2.273 12 N HA 0.021 4.761 4.740 -0.000 0.000 0.231 12 N C 0.876 176.324 175.510 -0.103 0.000 1.134 12 N CA -0.078 52.954 53.050 -0.030 0.000 0.856 12 N CB 0.476 38.975 38.487 0.020 0.000 1.068 12 N HN 0.324 nan 8.380 nan 0.000 0.510 13 R N 0.991 121.378 120.500 -0.187 0.000 2.154 13 R HA -0.118 4.222 4.340 -0.000 0.000 0.248 13 R C 1.279 177.495 176.300 -0.140 0.000 1.155 13 R CA 1.333 57.273 56.100 -0.267 0.000 0.979 13 R CB -0.144 30.023 30.300 -0.221 0.000 0.869 13 R HN -0.076 nan 8.270 nan 0.000 0.452 14 V N -0.307 119.554 119.914 -0.088 0.000 2.237 14 V HA -0.087 4.033 4.120 -0.000 0.000 0.245 14 V C 1.885 177.963 176.094 -0.027 0.000 1.046 14 V CA 2.153 64.390 62.300 -0.104 0.000 1.007 14 V CB -0.737 30.983 31.823 -0.172 0.000 0.638 14 V HN 0.784 nan 8.190 nan 0.000 0.445 15 G N -1.908 106.922 108.800 0.050 0.000 2.184 15 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.206 15 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.206 15 G C 0.079 175.150 174.900 0.285 0.000 0.995 15 G CA 0.109 45.309 45.100 0.167 0.000 0.651 15 G HN 0.602 nan 8.290 nan 0.000 0.511 16 H N 0.424 119.495 119.070 0.002 0.000 2.580 16 H HA 0.619 5.175 4.556 -0.000 0.000 0.324 16 H C 0.863 176.164 175.328 -0.045 0.000 1.436 16 H CA -0.170 55.872 56.048 -0.011 0.000 1.464 16 H CB 1.225 30.987 29.762 0.000 0.000 1.752 16 H HN 0.366 nan 8.280 nan 0.000 0.726 17 S N 0.392 116.136 115.700 0.073 0.000 2.565 17 S HA 0.169 4.639 4.470 -0.000 0.000 0.274 17 S C -0.298 174.199 174.600 -0.171 0.000 1.309 17 S CA -0.861 57.314 58.200 -0.042 0.000 1.043 17 S CB 0.662 63.847 63.200 -0.025 0.000 0.939 17 S HN 0.458 nan 8.310 nan 0.000 0.504 18 K N 3.694 123.860 120.400 -0.388 0.000 2.266 18 K HA 0.280 4.600 4.320 -0.000 0.000 0.274 18 K C -1.676 174.414 176.600 -0.851 0.000 1.090 18 K CA -2.269 53.421 56.287 -0.994 0.000 0.925 18 K CB 1.164 32.885 32.500 -1.298 0.000 1.225 18 K HN 0.530 nan 8.250 nan 0.000 0.458 19 P HA -0.193 nan 4.420 nan 0.000 0.215 19 P C 0.977 178.314 177.300 0.061 0.000 1.157 19 P CA 1.327 64.458 63.100 0.051 0.000 0.868 19 P CB -0.099 31.814 31.700 0.355 0.000 0.788 20 W N 2.464 123.649 121.300 -0.191 0.000 2.387 20 W HA -0.125 4.535 4.660 -0.000 0.000 0.272 20 W C 1.847 178.294 176.519 -0.120 0.000 1.224 20 W CA 1.118 58.215 57.345 -0.414 0.000 1.210 20 W CB -1.519 27.097 29.460 -1.406 0.000 1.125 20 W HN 0.180 nan 8.180 nan 0.000 0.572 21 E N 0.278 120.241 120.200 -0.395 0.000 2.057 21 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 21 E C 2.170 178.736 176.600 -0.057 0.000 0.969 21 E CA 1.191 57.480 56.400 -0.183 0.000 0.812 21 E CB -1.066 28.436 29.700 -0.330 0.000 0.777 21 E HN 0.117 nan 8.360 nan 0.000 0.455 22 S N -0.359 115.297 115.700 -0.074 0.000 2.474 22 S HA 0.046 4.516 4.470 -0.000 0.000 0.235 22 S C 1.344 175.934 174.600 -0.017 0.000 0.997 22 S CA 1.040 59.218 58.200 -0.036 0.000 0.949 22 S CB -0.567 62.607 63.200 -0.044 0.000 0.766 22 S HN 0.694 nan 8.310 nan 0.000 0.517 23 G N 1.490 110.304 108.800 0.024 0.000 2.171 23 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.238 23 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.238 23 G C 0.343 175.231 174.900 -0.020 0.000 1.039 23 G CA 0.477 45.609 45.100 0.054 0.000 0.759 23 G HN 0.661 nan 8.290 nan 0.000 0.501 24 K N -1.106 119.198 120.400 -0.160 0.000 2.373 24 K HA 0.584 4.904 4.320 -0.000 0.000 0.202 24 K C -0.157 176.153 176.600 -0.482 0.000 1.025 24 K CA -0.306 55.758 56.287 -0.372 0.000 1.115 24 K CB 0.548 32.687 32.500 -0.602 0.000 0.858 24 K HN 0.211 nan 8.250 nan 0.000 0.525 25 F N 2.068 122.119 119.950 0.168 0.000 2.556 25 F HA 0.404 4.931 4.527 -0.000 0.000 0.314 25 F C -0.252 175.736 175.800 0.313 0.000 1.106 25 F CA -1.211 56.923 58.000 0.224 0.000 0.911 25 F CB 1.954 41.118 39.000 0.273 0.000 1.190 25 F HN -0.190 nan 8.300 nan 0.000 0.448 26 K N 0.806 121.432 120.400 0.377 0.000 2.177 26 K HA 0.792 5.112 4.320 -0.000 0.000 0.238 26 K C 0.685 177.186 176.600 -0.165 0.000 1.015 26 K CA -0.563 55.838 56.287 0.189 0.000 0.922 26 K CB 0.838 33.386 32.500 0.079 0.000 1.127 26 K HN 0.542 nan 8.250 nan 0.000 0.469 27 A N 0.649 123.079 122.820 -0.649 0.000 2.015 27 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 27 A C 2.188 179.595 177.584 -0.295 0.000 1.163 27 A CA 1.731 53.075 52.037 -1.155 0.000 0.646 27 A CB -1.102 17.072 19.000 -1.377 0.000 0.806 27 A HN 0.770 nan 8.150 nan 0.000 0.448 28 A N 0.546 123.265 122.820 -0.169 0.000 1.933 28 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 28 A C 1.695 179.284 177.584 0.008 0.000 1.175 28 A CA 1.720 53.715 52.037 -0.070 0.000 0.628 28 A CB -0.489 18.466 19.000 -0.075 0.000 0.814 28 A HN 0.527 nan 8.150 nan 0.000 0.444 29 D N -0.537 119.879 120.400 0.027 0.000 2.178 29 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 29 D C 1.031 177.341 176.300 0.017 0.000 0.974 29 D CA 1.427 55.459 54.000 0.054 0.000 0.841 29 D CB -0.326 40.559 40.800 0.142 0.000 0.953 29 D HN 0.513 nan 8.370 nan 0.000 0.478 30 N N -0.781 117.946 118.700 0.045 0.000 2.321 30 N HA 0.027 4.767 4.740 -0.000 0.000 0.242 30 N C -1.002 174.501 175.510 -0.011 0.000 1.141 30 N CA -0.327 52.764 53.050 0.069 0.000 0.864 30 N CB -0.109 38.536 38.487 0.263 0.000 1.100 30 N HN -0.106 nan 8.380 nan 0.000 0.510 31 F N 2.117 121.941 119.950 -0.210 0.000 2.410 31 F HA 0.458 4.985 4.527 -0.000 0.000 0.348 31 F C -1.675 173.933 175.800 -0.320 0.000 1.106 31 F CA -2.205 55.545 58.000 -0.417 0.000 1.163 31 F CB 0.522 39.372 39.000 -0.251 0.000 1.129 31 F HN 0.117 nan 8.300 nan 0.000 0.516 32 P HA -0.021 nan 4.420 nan 0.000 0.267 32 P C -1.109 176.014 177.300 -0.295 0.000 1.200 32 P CA -0.094 62.679 63.100 -0.544 0.000 0.772 32 P CB 0.654 31.928 31.700 -0.711 0.000 0.855 33 D N 2.420 122.736 120.400 -0.140 0.000 2.483 33 D HA 0.097 4.737 4.640 -0.000 0.000 0.220 33 D C 0.575 176.848 176.300 -0.045 0.000 1.173 33 D CA -0.148 53.833 54.000 -0.032 0.000 0.964 33 D CB -0.528 40.283 40.800 0.018 0.000 1.046 33 D HN 0.231 nan 8.370 nan 0.000 0.517 34 L N 2.435 123.573 121.223 -0.141 0.000 2.688 34 L HA 0.076 4.416 4.340 -0.000 0.000 0.234 34 L C 1.990 178.939 176.870 0.131 0.000 1.192 34 L CA -0.268 54.413 54.840 -0.264 0.000 0.984 34 L CB -0.254 41.548 42.059 -0.428 0.000 1.232 34 L HN 0.225 nan 8.230 nan 0.000 0.465 35 S N 1.009 116.789 115.700 0.133 0.000 2.378 35 S HA -0.237 4.233 4.470 -0.000 0.000 0.229 35 S C 1.491 176.166 174.600 0.124 0.000 1.052 35 S CA 1.742 60.007 58.200 0.108 0.000 1.084 35 S CB -0.116 63.128 63.200 0.074 0.000 0.950 35 S HN 0.516 nan 8.310 nan 0.000 0.440 36 K N 0.555 121.048 120.400 0.155 0.000 2.498 36 K HA 0.227 4.547 4.320 -0.000 0.000 0.207 36 K C -0.745 175.856 176.600 0.001 0.000 1.033 36 K CA -0.103 56.212 56.287 0.047 0.000 1.138 36 K CB 0.369 32.853 32.500 -0.026 0.000 0.860 36 K HN 0.378 nan 8.250 nan 0.000 0.490 37 H N 0.618 119.682 119.070 -0.010 0.000 2.481 37 H HA 0.191 4.747 4.556 -0.000 0.000 0.339 37 H C -0.303 175.027 175.328 0.002 0.000 1.131 37 H CA -0.379 55.663 56.048 -0.011 0.000 1.301 37 H CB 0.914 30.664 29.762 -0.019 0.000 1.476 37 H HN -0.047 nan 8.280 nan 0.000 0.529 38 N N 1.858 120.619 118.700 0.102 0.000 2.791 38 N HA 0.108 4.848 4.740 -0.000 0.000 0.265 38 N C -1.694 173.867 175.510 0.085 0.000 1.580 38 N CA -0.633 52.465 53.050 0.079 0.000 0.809 38 N CB -0.078 38.435 38.487 0.044 0.000 1.178 38 N HN 0.756 nan 8.380 nan 0.000 0.499 39 N N -1.528 117.235 118.700 0.105 0.000 2.647 39 N HA 0.318 5.058 4.740 -0.000 0.000 0.266 39 N C 0.343 175.905 175.510 0.087 0.000 1.373 39 N CA -0.897 52.210 53.050 0.095 0.000 0.807 39 N CB 0.676 39.219 38.487 0.093 0.000 1.513 39 N HN -0.190 nan 8.380 nan 0.000 0.505 40 V N -0.287 119.679 119.914 0.086 0.000 2.261 40 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 40 V C 2.462 178.603 176.094 0.077 0.000 1.047 40 V CA 1.882 64.226 62.300 0.074 0.000 1.015 40 V CB -0.811 31.053 31.823 0.069 0.000 0.642 40 V HN 0.806 nan 8.190 nan 0.000 0.446 41 M N 1.045 120.706 119.600 0.102 0.000 2.103 41 M HA -0.273 4.207 4.480 -0.000 0.000 0.255 41 M C 2.114 178.501 176.300 0.145 0.000 1.074 41 M CA 2.928 58.343 55.300 0.191 0.000 1.090 41 M CB -0.984 31.688 32.600 0.119 0.000 1.325 41 M HN 0.358 nan 8.290 nan 0.000 0.403 42 A N -0.793 122.061 122.820 0.057 0.000 1.898 42 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 42 A C 2.187 179.809 177.584 0.062 0.000 1.181 42 A CA 2.092 54.135 52.037 0.009 0.000 0.620 42 A CB -0.985 18.015 19.000 -0.000 0.000 0.819 42 A HN 0.654 nan 8.150 nan 0.000 0.442 43 S N -0.310 115.435 115.700 0.075 0.000 2.469 43 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 43 S C 1.691 176.343 174.600 0.087 0.000 0.998 43 S CA 1.200 59.445 58.200 0.075 0.000 0.957 43 S CB -0.081 63.157 63.200 0.064 0.000 0.764 43 S HN 0.582 nan 8.310 nan 0.000 0.514 44 Q N -0.203 119.664 119.800 0.111 0.000 2.317 44 Q HA 0.328 4.668 4.340 -0.000 0.000 0.220 44 Q C -0.006 176.137 176.000 0.239 0.000 0.873 44 Q CA -0.108 55.771 55.803 0.126 0.000 0.936 44 Q CB -0.110 28.642 28.738 0.022 0.000 1.105 44 Q HN 0.364 nan 8.270 nan 0.000 0.520 45 L N 2.833 124.220 121.223 0.274 0.000 2.360 45 L HA 0.234 4.574 4.340 -0.000 0.000 0.276 45 L C -0.082 176.975 176.870 0.312 0.000 1.121 45 L CA 0.334 55.374 54.840 0.333 0.000 0.845 45 L CB 0.829 43.008 42.059 0.200 0.000 1.143 45 L HN 0.077 nan 8.230 nan 0.000 0.452 46 T N 0.870 115.616 114.554 0.320 0.000 2.855 46 T HA 0.407 4.757 4.350 -0.000 0.000 0.281 46 T C 0.908 175.750 174.700 0.236 0.000 1.007 46 T CA -0.866 61.369 62.100 0.225 0.000 1.009 46 T CB 1.293 70.239 68.868 0.129 0.000 0.983 46 T HN 0.653 nan 8.240 nan 0.000 0.455 47 K N 0.825 121.200 120.400 -0.041 0.000 2.152 47 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 47 K C 2.011 178.564 176.600 -0.077 0.000 1.048 47 K CA 1.429 57.529 56.287 -0.313 0.000 0.933 47 K CB -0.012 32.132 32.500 -0.594 0.000 0.721 47 K HN 0.791 nan 8.250 nan 0.000 0.447 48 E N 1.323 121.495 120.200 -0.046 0.000 2.106 48 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 48 E C 1.976 178.545 176.600 -0.053 0.000 0.984 48 E CA 0.789 57.157 56.400 -0.053 0.000 0.806 48 E CB 0.083 29.758 29.700 -0.042 0.000 0.750 48 E HN 0.293 nan 8.360 nan 0.000 0.458 49 L N -0.163 121.080 121.223 0.035 0.000 2.131 49 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 49 L C 2.446 179.306 176.870 -0.015 0.000 1.087 49 L CA 0.756 55.607 54.840 0.018 0.000 0.767 49 L CB -0.339 41.843 42.059 0.205 0.000 0.917 49 L HN 0.217 nan 8.230 nan 0.000 0.441 50 Y N 0.441 120.779 120.300 0.064 0.000 2.373 50 Y HA -0.187 4.363 4.550 -0.000 0.000 0.293 50 Y C 2.568 178.447 175.900 -0.036 0.000 1.129 50 Y CA 1.271 59.433 58.100 0.104 0.000 1.226 50 Y CB 0.115 38.828 38.460 0.421 0.000 1.000 50 Y HN 0.114 nan 8.280 nan 0.000 0.549 51 E N 0.648 120.750 120.200 -0.162 0.000 2.285 51 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 51 E C 1.821 178.309 176.600 -0.187 0.000 0.997 51 E CA 0.709 56.925 56.400 -0.306 0.000 0.845 51 E CB -0.000 29.581 29.700 -0.198 0.000 0.782 51 E HN 0.541 nan 8.360 nan 0.000 0.491 52 K N -1.127 119.117 120.400 -0.260 0.000 2.314 52 K HA -0.047 4.273 4.320 -0.000 0.000 0.198 52 K C 1.137 177.489 176.600 -0.414 0.000 1.045 52 K CA 0.537 56.603 56.287 -0.368 0.000 0.988 52 K CB 0.182 32.341 32.500 -0.569 0.000 0.783 52 K HN 0.118 nan 8.250 nan 0.000 0.484 53 Y N -0.967 119.196 120.300 -0.229 0.000 2.638 53 Y HA -0.037 4.513 4.550 -0.000 0.000 0.275 53 Y C 1.979 177.705 175.900 -0.290 0.000 1.122 53 Y CA -0.378 57.538 58.100 -0.307 0.000 1.266 53 Y CB 0.061 38.082 38.460 -0.731 0.000 1.317 53 Y HN 0.189 nan 8.280 nan 0.000 0.501 54 W N 2.711 123.680 121.300 -0.551 0.000 2.308 54 W HA -0.241 4.419 4.660 -0.000 0.000 0.301 54 W C 0.690 176.674 176.519 -0.891 0.000 1.220 54 W CA 1.858 58.815 57.345 -0.646 0.000 1.240 54 W CB -1.116 27.751 29.460 -0.988 0.000 1.142 54 W HN 0.314 nan 8.180 nan 0.000 0.521 55 D N 0.367 119.931 120.400 -1.393 0.000 2.370 55 D HA 0.078 4.718 4.640 -0.000 0.000 0.230 55 D C -0.079 175.614 176.300 -1.012 0.000 1.143 55 D CA -0.034 52.799 54.000 -1.944 0.000 0.834 55 D CB -0.239 39.740 40.800 -1.368 0.000 0.944 55 D HN 0.171 nan 8.370 nan 0.000 0.504 56 K N 0.650 120.690 120.400 -0.601 0.000 2.324 56 K HA 0.478 4.798 4.320 -0.000 0.000 0.253 56 K C -1.512 175.044 176.600 -0.072 0.000 0.932 56 K CA -0.686 55.475 56.287 -0.210 0.000 0.799 56 K CB 2.413 34.919 32.500 0.009 0.000 1.154 56 K HN -0.150 nan 8.250 nan 0.000 0.425 57 V N 1.650 121.539 119.914 -0.042 0.000 3.074 57 V HA 0.419 4.539 4.120 -0.000 0.000 0.314 57 V C -0.043 176.033 176.094 -0.030 0.000 1.117 57 V CA -0.787 61.529 62.300 0.027 0.000 1.014 57 V CB 2.158 34.007 31.823 0.044 0.000 1.057 57 V HN 1.028 nan 8.190 nan 0.000 0.438 58 T N -0.223 114.312 114.554 -0.032 0.000 2.936 58 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 58 T C -2.009 172.541 174.700 -0.251 0.000 1.003 58 T CA -1.958 60.045 62.100 -0.161 0.000 1.005 58 T CB 1.634 70.439 68.868 -0.106 0.000 1.097 58 T HN 0.417 nan 8.240 nan 0.000 0.532 59 P HA -0.076 nan 4.420 nan 0.000 0.219 59 P C 0.918 178.050 177.300 -0.280 0.000 1.144 59 P CA 1.020 63.841 63.100 -0.465 0.000 0.806 59 P CB 0.018 31.182 31.700 -0.893 0.000 0.771 60 N N -2.496 116.068 118.700 -0.227 0.000 2.282 60 N HA 0.108 4.848 4.740 -0.000 0.000 0.185 60 N C 1.208 176.679 175.510 -0.065 0.000 1.099 60 N CA 1.106 54.104 53.050 -0.087 0.000 0.878 60 N CB 0.394 38.883 38.487 0.004 0.000 0.993 60 N HN 0.133 nan 8.380 nan 0.000 0.481 61 G N 0.396 109.163 108.800 -0.055 0.000 2.135 61 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.183 61 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.183 61 G C -0.332 174.583 174.900 0.025 0.000 1.004 61 G CA -0.271 44.815 45.100 -0.023 0.000 0.677 61 G HN 0.111 nan 8.290 nan 0.000 0.512 62 V N 2.124 122.075 119.914 0.060 0.000 2.461 62 V HA 0.671 4.791 4.120 -0.000 0.000 0.275 62 V C 1.091 177.304 176.094 0.198 0.000 1.047 62 V CA 0.484 62.861 62.300 0.127 0.000 0.955 62 V CB 1.182 33.116 31.823 0.185 0.000 0.988 62 V HN 0.742 nan 8.190 nan 0.000 0.471 63 T N 1.347 116.003 114.554 0.170 0.000 2.948 63 T HA 0.431 4.781 4.350 -0.000 0.000 0.285 63 T C 0.708 175.456 174.700 0.080 0.000 1.019 63 T CA -0.468 61.736 62.100 0.173 0.000 1.013 63 T CB 1.189 70.167 68.868 0.183 0.000 1.117 63 T HN 0.295 nan 8.240 nan 0.000 0.533 64 F N 0.968 120.777 119.950 -0.235 0.000 2.171 64 F HA -0.045 4.482 4.527 -0.000 0.000 0.300 64 F C 1.909 177.539 175.800 -0.283 0.000 1.090 64 F CA 1.569 59.221 58.000 -0.580 0.000 1.293 64 F CB -0.526 38.161 39.000 -0.522 0.000 1.013 64 F HN 0.671 nan 8.300 nan 0.000 0.486 65 D N -0.076 120.253 120.400 -0.117 0.000 2.178 65 D HA -0.165 4.475 4.640 -0.000 0.000 0.202 65 D C 2.208 178.404 176.300 -0.173 0.000 0.974 65 D CA 0.661 54.580 54.000 -0.135 0.000 0.841 65 D CB -0.152 40.717 40.800 0.116 0.000 0.953 65 D HN 0.201 nan 8.370 nan 0.000 0.478 66 K N 1.019 121.355 120.400 -0.106 0.000 2.097 66 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 66 K C 2.078 178.613 176.600 -0.109 0.000 1.049 66 K CA 0.565 56.800 56.287 -0.086 0.000 0.933 66 K CB -0.393 32.089 32.500 -0.031 0.000 0.717 66 K HN 0.184 nan 8.250 nan 0.000 0.442 67 C N 0.413 119.606 119.300 -0.179 0.000 2.475 67 C HA 0.030 4.490 4.460 -0.000 0.000 0.279 67 C C 2.395 177.224 174.990 -0.268 0.000 1.322 67 C CA 0.315 59.243 59.018 -0.150 0.000 1.734 67 C CB -0.568 27.138 27.740 -0.057 0.000 2.005 67 C HN 0.566 nan 8.230 nan 0.000 0.495 68 I N -0.580 119.683 120.570 -0.513 0.000 3.883 68 I HA 0.103 4.273 4.170 -0.000 0.000 0.326 68 I C 2.166 178.104 176.117 -0.298 0.000 1.283 68 I CA 0.585 61.595 61.300 -0.484 0.000 1.161 68 I CB -0.612 36.898 38.000 -0.815 0.000 1.012 68 I HN 0.128 nan 8.210 nan 0.000 0.421 69 Q N 1.861 121.529 119.800 -0.220 0.000 2.096 69 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 69 Q C 2.252 178.200 176.000 -0.087 0.000 0.982 69 Q CA 2.842 58.564 55.803 -0.136 0.000 0.850 69 Q CB -0.724 27.966 28.738 -0.079 0.000 0.901 69 Q HN 0.510 nan 8.270 nan 0.000 0.422 70 T N -1.243 113.269 114.554 -0.070 0.000 2.929 70 T HA -0.061 4.289 4.350 -0.000 0.000 0.271 70 T C 1.430 176.117 174.700 -0.022 0.000 1.085 70 T CA 1.278 63.357 62.100 -0.035 0.000 1.125 70 T CB -0.550 68.303 68.868 -0.024 0.000 0.874 70 T HN 0.541 nan 8.240 nan 0.000 0.494 71 G N 0.697 109.468 108.800 -0.048 0.000 2.414 71 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.215 71 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.215 71 G C 1.651 176.574 174.900 0.039 0.000 1.188 71 G CA 1.061 46.150 45.100 -0.018 0.000 0.783 71 G HN 0.482 nan 8.290 nan 0.000 0.537 72 V N 1.810 121.696 119.914 -0.047 0.000 2.255 72 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 72 V C 2.311 178.511 176.094 0.178 0.000 1.051 72 V CA 2.220 64.542 62.300 0.036 0.000 1.018 72 V CB -0.691 31.075 31.823 -0.094 0.000 0.641 72 V HN 0.237 nan 8.190 nan 0.000 0.445 73 D N 0.143 120.571 120.400 0.045 0.000 2.378 73 D HA -0.033 4.607 4.640 -0.000 0.000 0.222 73 D C 0.535 176.831 176.300 -0.008 0.000 0.980 73 D CA 0.718 54.726 54.000 0.014 0.000 0.907 73 D CB -0.260 40.536 40.800 -0.007 0.000 0.899 73 D HN 0.463 nan 8.370 nan 0.000 0.527 74 N N 0.196 118.902 118.700 0.010 0.000 2.727 74 N HA 0.105 4.845 4.740 -0.000 0.000 0.252 74 N C -2.137 173.344 175.510 -0.049 0.000 1.283 74 N CA -0.875 52.159 53.050 -0.028 0.000 0.782 74 N CB 2.369 40.855 38.487 -0.002 0.000 1.199 74 N HN 0.004 nan 8.380 nan 0.000 0.520 75 P HA 0.055 nan 4.420 nan 0.000 0.224 75 P C 0.632 177.841 177.300 -0.153 0.000 1.157 75 P CA 0.726 63.596 63.100 -0.383 0.000 0.799 75 P CB 0.953 32.207 31.700 -0.743 0.000 0.809 76 G N -0.250 108.478 108.800 -0.121 0.000 2.658 76 G HA2 0.495 4.455 3.960 -0.000 0.000 0.292 76 G HA3 0.495 4.455 3.960 -0.000 0.000 0.292 76 G C -1.789 173.070 174.900 -0.069 0.000 1.320 76 G CA -0.432 44.619 45.100 -0.081 0.000 0.933 76 G HN 0.061 nan 8.290 nan 0.000 0.476 77 N N -0.822 117.839 118.700 -0.066 0.000 2.480 77 N HA 0.222 4.962 4.740 -0.000 0.000 0.289 77 N C 0.252 175.648 175.510 -0.190 0.000 1.073 77 N CA -0.632 52.369 53.050 -0.082 0.000 0.885 77 N CB 1.996 40.499 38.487 0.027 0.000 1.421 77 N HN 0.347 nan 8.380 nan 0.000 0.503 78 K N 1.806 121.944 120.400 -0.436 0.000 2.574 78 K HA 0.092 4.412 4.320 -0.000 0.000 0.193 78 K C -0.297 175.861 176.600 -0.738 0.000 1.035 78 K CA 0.819 56.735 56.287 -0.620 0.000 0.982 78 K CB -0.040 31.982 32.500 -0.797 0.000 0.795 78 K HN 0.380 nan 8.250 nan 0.000 0.491 79 F N -1.351 118.541 119.950 -0.098 0.000 2.908 79 F HA 0.315 4.842 4.527 -0.000 0.000 0.355 79 F C 0.449 176.187 175.800 -0.103 0.000 1.367 79 F CA -1.466 56.411 58.000 -0.205 0.000 1.086 79 F CB -0.151 38.745 39.000 -0.174 0.000 1.702 79 F HN -0.238 nan 8.300 nan 0.000 0.463 80 Y N 0.072 120.548 120.300 0.292 0.000 2.301 80 Y HA 0.469 5.019 4.550 -0.000 0.000 0.325 80 Y C 0.796 176.798 175.900 0.170 0.000 1.203 80 Y CA -0.142 58.067 58.100 0.183 0.000 1.255 80 Y CB 0.655 39.216 38.460 0.169 0.000 1.232 80 Y HN 0.737 nan 8.280 nan 0.000 0.501 81 G N 2.329 111.323 108.800 0.324 0.000 2.795 81 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.664 81 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.664 81 G C -1.213 173.825 174.900 0.229 0.000 1.381 81 G CA -0.826 44.437 45.100 0.272 0.000 0.853 81 G HN 0.701 nan 8.290 nan 0.000 0.545 82 K N 0.432 120.986 120.400 0.258 0.000 2.172 82 K HA 0.472 4.792 4.320 -0.000 0.000 0.276 82 K C 0.420 177.159 176.600 0.231 0.000 1.013 82 K CA -0.823 55.590 56.287 0.209 0.000 0.913 82 K CB 0.439 33.041 32.500 0.170 0.000 1.055 82 K HN 0.401 nan 8.250 nan 0.000 0.461 83 K N 1.804 122.293 120.400 0.147 0.000 2.090 83 K HA 0.157 4.477 4.320 -0.000 0.000 0.249 83 K C 0.837 177.494 176.600 0.095 0.000 0.995 83 K CA -0.424 55.927 56.287 0.107 0.000 0.914 83 K CB 1.413 33.961 32.500 0.080 0.000 1.057 83 K HN 0.645 nan 8.250 nan 0.000 0.462 84 T N -0.121 114.469 114.554 0.060 0.000 2.684 84 T HA 0.025 4.375 4.350 -0.000 0.000 0.253 84 T C 0.991 175.728 174.700 0.060 0.000 1.057 84 T CA 1.551 63.684 62.100 0.054 0.000 1.162 84 T CB -0.267 68.615 68.868 0.022 0.000 0.868 84 T HN 0.853 nan 8.240 nan 0.000 0.409 85 G N 0.455 109.282 108.800 0.045 0.000 2.148 85 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.157 85 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.157 85 G C 0.193 175.099 174.900 0.010 0.000 1.012 85 G CA -0.256 44.865 45.100 0.035 0.000 0.677 85 G HN 1.150 nan 8.290 nan 0.000 0.506 86 C N -2.012 117.301 119.300 0.021 0.000 3.259 86 C HA 0.949 5.409 4.460 -0.000 0.000 0.344 86 C C 0.019 175.015 174.990 0.010 0.000 1.401 86 C CA -0.179 58.848 59.018 0.015 0.000 1.219 86 C CB 1.544 29.346 27.740 0.103 0.000 1.521 86 C HN 1.839 nan 8.230 nan 0.000 0.455 87 V N -2.789 117.123 119.914 -0.003 0.000 3.112 87 V HA 0.831 4.951 4.120 -0.000 0.000 0.310 87 V C -1.196 174.722 176.094 -0.292 0.000 1.364 87 V CA -0.898 61.328 62.300 -0.125 0.000 1.058 87 V CB 1.506 33.313 31.823 -0.027 0.000 1.079 87 V HN 0.958 nan 8.190 nan 0.000 0.463 88 F N -0.041 119.942 119.950 0.054 0.000 2.458 88 F HA 0.768 5.295 4.527 -0.000 0.000 0.336 88 F C 1.298 177.127 175.800 0.049 0.000 1.114 88 F CA 0.025 58.040 58.000 0.025 0.000 0.987 88 F CB 2.313 41.267 39.000 -0.076 0.000 1.130 88 F HN 0.742 nan 8.300 nan 0.000 0.458 89 G N 0.685 109.642 108.800 0.261 0.000 2.539 89 G HA2 0.118 4.078 3.960 -0.000 0.000 0.215 89 G HA3 0.118 4.078 3.960 -0.000 0.000 0.215 89 G C -0.330 174.675 174.900 0.175 0.000 1.141 89 G CA 0.470 45.675 45.100 0.175 0.000 0.806 89 G HN 0.660 nan 8.290 nan 0.000 0.533 90 D N -2.365 118.164 120.400 0.215 0.000 2.759 90 D HA 0.160 4.800 4.640 -0.000 0.000 0.321 90 D C 0.694 177.065 176.300 0.119 0.000 1.267 90 D CA -0.736 53.377 54.000 0.189 0.000 0.933 90 D CB 0.634 41.592 40.800 0.263 0.000 1.431 90 D HN -0.079 nan 8.370 nan 0.000 0.504 91 E N -1.246 118.977 120.200 0.039 0.000 2.077 91 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 91 E C 1.179 177.664 176.600 -0.193 0.000 0.989 91 E CA 1.212 57.511 56.400 -0.167 0.000 0.800 91 E CB -0.192 29.325 29.700 -0.305 0.000 0.746 91 E HN 0.482 nan 8.360 nan 0.000 0.452 92 Y N 0.402 120.689 120.300 -0.022 0.000 2.352 92 Y HA -0.142 4.408 4.550 -0.000 0.000 0.292 92 Y C 2.599 178.469 175.900 -0.050 0.000 1.136 92 Y CA 0.820 58.897 58.100 -0.040 0.000 1.227 92 Y CB -0.471 37.965 38.460 -0.040 0.000 0.991 92 Y HN -0.013 nan 8.280 nan 0.000 0.545 93 S N 0.029 115.844 115.700 0.193 0.000 2.434 93 S HA -0.387 4.083 4.470 -0.000 0.000 0.240 93 S C 1.833 176.575 174.600 0.238 0.000 1.052 93 S CA 2.102 60.484 58.200 0.304 0.000 1.198 93 S CB -1.129 62.413 63.200 0.570 0.000 1.124 93 S HN 0.676 nan 8.310 nan 0.000 0.426 94 Y N 1.824 122.125 120.300 0.002 0.000 2.133 94 Y HA -0.300 4.250 4.550 -0.000 0.000 0.279 94 Y C 2.247 178.212 175.900 0.108 0.000 1.209 94 Y CA 2.305 60.419 58.100 0.023 0.000 1.152 94 Y CB -0.266 38.023 38.460 -0.285 0.000 0.961 94 Y HN 0.363 nan 8.280 nan 0.000 0.512 95 E N -1.388 118.656 120.200 -0.261 0.000 2.299 95 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 95 E C 1.989 178.442 176.600 -0.245 0.000 0.998 95 E CA 0.688 56.883 56.400 -0.341 0.000 0.851 95 E CB -0.111 29.497 29.700 -0.154 0.000 0.795 95 E HN 0.505 nan 8.360 nan 0.000 0.492 96 C N -0.236 118.872 119.300 -0.321 0.000 2.468 96 C HA -0.024 4.436 4.460 -0.000 0.000 0.277 96 C C 1.187 175.699 174.990 -0.795 0.000 1.400 96 C CA 0.376 59.045 59.018 -0.582 0.000 1.770 96 C CB -0.713 26.498 27.740 -0.883 0.000 1.905 96 C HN 0.447 nan 8.230 nan 0.000 0.519 97 Y N -0.696 119.533 120.300 -0.119 0.000 2.738 97 Y HA 0.183 4.733 4.550 -0.000 0.000 0.249 97 Y C 1.769 177.666 175.900 -0.004 0.000 1.153 97 Y CA -0.376 57.474 58.100 -0.418 0.000 1.165 97 Y CB -0.233 38.258 38.460 0.052 0.000 1.235 97 Y HN 0.083 nan 8.280 nan 0.000 0.559 98 K N 1.832 122.255 120.400 0.037 0.000 2.059 98 K HA -0.309 4.011 4.320 -0.000 0.000 0.212 98 K C 1.869 178.596 176.600 0.212 0.000 1.050 98 K CA 2.349 58.620 56.287 -0.028 0.000 0.927 98 K CB 0.032 32.349 32.500 -0.305 0.000 0.714 98 K HN 0.461 nan 8.250 nan 0.000 0.447 99 E N -0.801 119.573 120.200 0.289 0.000 2.209 99 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 99 E C 1.678 178.484 176.600 0.343 0.000 0.993 99 E CA 1.255 57.843 56.400 0.313 0.000 0.819 99 E CB -0.138 29.759 29.700 0.329 0.000 0.745 99 E HN 0.489 nan 8.360 nan 0.000 0.477 100 F N -0.846 119.250 119.950 0.244 0.000 2.317 100 F HA 0.078 4.605 4.527 -0.000 0.000 0.293 100 F C 1.374 177.238 175.800 0.107 0.000 1.085 100 F CA 0.538 58.621 58.000 0.137 0.000 1.390 100 F CB -0.170 38.853 39.000 0.038 0.000 1.077 100 F HN -0.060 nan 8.300 nan 0.000 0.517 101 F N 1.237 121.245 119.950 0.097 0.000 2.325 101 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 101 F C 2.046 177.905 175.800 0.098 0.000 1.090 101 F CA 1.240 59.256 58.000 0.026 0.000 1.392 101 F CB -0.691 38.608 39.000 0.498 0.000 1.053 101 F HN -0.024 nan 8.300 nan 0.000 0.521 102 D N 0.086 120.698 120.400 0.353 0.000 2.144 102 D HA -0.117 4.522 4.640 -0.000 0.000 0.200 102 D C 2.117 178.521 176.300 0.173 0.000 0.978 102 D CA 0.941 55.130 54.000 0.316 0.000 0.833 102 D CB -0.151 40.829 40.800 0.300 0.000 0.961 102 D HN 0.228 nan 8.370 nan 0.000 0.470 103 K N 0.170 120.609 120.400 0.066 0.000 2.032 103 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 103 K C 2.387 178.984 176.600 -0.005 0.000 1.048 103 K CA 0.965 57.264 56.287 0.020 0.000 0.927 103 K CB -0.720 31.769 32.500 -0.019 0.000 0.712 103 K HN 0.185 nan 8.250 nan 0.000 0.441 104 C N 1.385 120.611 119.300 -0.124 0.000 2.413 104 C HA -0.084 4.376 4.460 -0.000 0.000 0.276 104 C C 2.710 177.756 174.990 0.093 0.000 1.236 104 C CA 0.467 59.446 59.018 -0.066 0.000 1.735 104 C CB -0.762 26.870 27.740 -0.181 0.000 2.031 104 C HN 0.395 nan 8.230 nan 0.000 0.474 105 I N 0.437 121.122 120.570 0.193 0.000 2.423 105 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 105 I C 2.565 178.865 176.117 0.306 0.000 1.151 105 I CA 1.590 63.067 61.300 0.296 0.000 1.421 105 I CB -0.481 37.731 38.000 0.355 0.000 1.079 105 I HN 0.528 nan 8.210 nan 0.000 0.431 106 E N 0.978 121.323 120.200 0.242 0.000 2.051 106 E HA -0.272 4.078 4.350 -0.000 0.000 0.189 106 E C 2.098 178.823 176.600 0.208 0.000 0.979 106 E CA 1.142 57.688 56.400 0.242 0.000 0.803 106 E CB 0.023 29.834 29.700 0.185 0.000 0.761 106 E HN 0.462 nan 8.360 nan 0.000 0.451 107 E N 0.641 120.927 120.200 0.142 0.000 2.058 107 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 107 E C 2.045 178.666 176.600 0.034 0.000 0.997 107 E CA 1.825 58.292 56.400 0.111 0.000 0.801 107 E CB -0.179 29.569 29.700 0.079 0.000 0.746 107 E HN 0.349 nan 8.360 nan 0.000 0.450 108 I N 0.279 120.870 120.570 0.035 0.000 2.110 108 I HA -0.217 3.953 4.170 -0.000 0.000 0.236 108 I C 1.944 177.965 176.117 -0.161 0.000 1.068 108 I CA 1.235 62.524 61.300 -0.019 0.000 1.333 108 I CB -0.523 37.352 38.000 -0.208 0.000 1.054 108 I HN 0.259 nan 8.210 nan 0.000 0.402 109 H N 0.655 119.787 119.070 0.103 0.000 2.519 109 H HA 0.124 4.680 4.556 -0.000 0.000 0.289 109 H C -0.106 175.336 175.328 0.190 0.000 1.040 109 H CA -0.059 56.053 56.048 0.107 0.000 1.165 109 H CB -0.149 29.673 29.762 0.100 0.000 1.462 109 H HN 0.354 nan 8.280 nan 0.000 0.555 110 H N -0.614 118.626 119.070 0.284 0.000 2.636 110 H HA -0.235 4.321 4.556 -0.000 0.000 0.312 110 H C -0.508 174.980 175.328 0.267 0.000 1.106 110 H CA 0.714 56.890 56.048 0.213 0.000 1.139 110 H CB -2.357 27.497 29.762 0.152 0.000 1.423 110 H HN 0.318 nan 8.280 nan 0.000 0.407 111 F N 1.354 121.447 119.950 0.239 0.000 2.382 111 F HA 0.344 4.871 4.527 -0.000 0.000 0.361 111 F C 0.332 176.222 175.800 0.151 0.000 1.109 111 F CA -0.852 57.256 58.000 0.180 0.000 1.031 111 F CB 0.640 39.749 39.000 0.181 0.000 1.234 111 F HN -0.138 nan 8.300 nan 0.000 0.445 112 K N 6.328 126.623 120.400 -0.175 0.000 2.107 112 K HA 0.289 4.609 4.320 -0.000 0.000 0.251 112 K C -1.928 174.589 176.600 -0.139 0.000 1.012 112 K CA -1.609 54.627 56.287 -0.086 0.000 0.920 112 K CB 0.494 32.953 32.500 -0.069 0.000 1.033 112 K HN 0.300 nan 8.250 nan 0.000 0.478 113 P HA -0.146 nan 4.420 nan 0.000 0.234 113 P C 0.451 177.750 177.300 -0.001 0.000 1.162 113 P CA 1.123 64.258 63.100 0.058 0.000 0.759 113 P CB 0.095 31.848 31.700 0.089 0.000 0.813 114 S N -3.975 111.669 115.700 -0.093 0.000 2.666 114 S HA 0.128 4.598 4.470 -0.000 0.000 0.239 114 S C 0.575 175.079 174.600 -0.160 0.000 1.031 114 S CA -0.498 57.652 58.200 -0.084 0.000 1.015 114 S CB -0.074 63.090 63.200 -0.059 0.000 0.981 114 S HN -0.120 nan 8.310 nan 0.000 0.547 115 D N 2.045 122.220 120.400 -0.376 0.000 2.433 115 D HA 0.375 5.015 4.640 -0.000 0.000 0.255 115 D C -0.289 175.860 176.300 -0.252 0.000 1.226 115 D CA -0.011 53.685 54.000 -0.508 0.000 1.015 115 D CB 0.616 40.737 40.800 -1.131 0.000 1.091 115 D HN 0.272 nan 8.370 nan 0.000 0.527 116 K N 0.267 120.703 120.400 0.061 0.000 2.565 116 K HA 0.113 4.433 4.320 -0.000 0.000 0.251 116 K C -1.290 175.558 176.600 0.413 0.000 0.956 116 K CA -0.590 55.894 56.287 0.327 0.000 0.809 116 K CB 1.245 33.826 32.500 0.135 0.000 1.267 116 K HN 0.427 nan 8.250 nan 0.000 0.438 117 H N 4.743 123.981 119.070 0.280 0.000 3.070 117 H HA 0.094 4.650 4.556 -0.000 0.000 0.313 117 H C -1.861 173.501 175.328 0.057 0.000 0.997 117 H CA -0.066 56.016 56.048 0.057 0.000 1.438 117 H CB 0.722 30.389 29.762 -0.159 0.000 1.455 117 H HN 0.349 nan 8.280 nan 0.000 0.575 118 P HA 0.096 nan 4.420 nan 0.000 0.271 118 P C -0.754 176.516 177.300 -0.051 0.000 1.233 118 P CA -0.480 62.527 63.100 -0.155 0.000 0.789 118 P CB 0.568 32.150 31.700 -0.196 0.000 0.951 119 A N 2.216 125.047 122.820 0.017 0.000 2.425 119 A HA 0.357 4.677 4.320 -0.000 0.000 0.242 119 A C -1.922 175.713 177.584 0.084 0.000 1.077 119 A CA -0.938 51.139 52.037 0.067 0.000 0.781 119 A CB -1.682 17.348 19.000 0.050 0.000 1.020 119 A HN 0.423 nan 8.150 nan 0.000 0.494 120 P HA 0.147 nan 4.420 nan 0.000 0.266 120 P C -0.893 176.487 177.300 0.133 0.000 1.195 120 P CA 0.368 63.565 63.100 0.162 0.000 0.768 120 P CB 0.418 32.219 31.700 0.167 0.000 0.838 121 D N 2.656 123.155 120.400 0.165 0.000 2.421 121 D HA 0.214 4.854 4.640 -0.000 0.000 0.254 121 D C 0.016 176.469 176.300 0.255 0.000 1.238 121 D CA -0.233 53.865 54.000 0.164 0.000 0.919 121 D CB 0.583 41.464 40.800 0.135 0.000 1.152 121 D HN 0.208 nan 8.370 nan 0.000 0.552 122 L N 1.634 122.974 121.223 0.195 0.000 2.808 122 L HA 0.200 4.540 4.340 -0.000 0.000 0.246 122 L C 0.521 177.384 176.870 -0.011 0.000 1.153 122 L CA -0.144 54.797 54.840 0.170 0.000 0.956 122 L CB 0.578 42.698 42.059 0.102 0.000 1.270 122 L HN 0.209 nan 8.230 nan 0.000 0.528 123 D N 0.628 121.054 120.400 0.044 0.000 2.359 123 D HA -0.014 4.626 4.640 -0.000 0.000 0.250 123 D C 1.317 177.599 176.300 -0.030 0.000 1.264 123 D CA 0.007 53.972 54.000 -0.058 0.000 0.911 123 D CB 0.820 41.596 40.800 -0.041 0.000 1.056 123 D HN 0.381 nan 8.370 nan 0.000 0.499 124 H N 1.999 120.963 119.070 -0.177 0.000 2.495 124 H HA 0.048 4.604 4.556 -0.000 0.000 0.287 124 H C 1.064 176.429 175.328 0.061 0.000 1.033 124 H CA 0.621 56.639 56.048 -0.050 0.000 1.307 124 H CB 0.130 29.731 29.762 -0.267 0.000 1.401 124 H HN 0.167 nan 8.280 nan 0.000 0.555 125 N N 0.783 119.201 118.700 -0.471 0.000 2.381 125 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 125 N C 1.043 176.509 175.510 -0.072 0.000 1.025 125 N CA 0.684 53.586 53.050 -0.246 0.000 0.888 125 N CB 0.024 38.327 38.487 -0.308 0.000 0.965 125 N HN 0.349 nan 8.380 nan 0.000 0.438 126 K N 0.560 120.940 120.400 -0.033 0.000 2.487 126 K HA 0.076 4.396 4.320 -0.000 0.000 0.192 126 K C 0.239 176.874 176.600 0.058 0.000 1.027 126 K CA -0.253 56.044 56.287 0.016 0.000 1.054 126 K CB -0.313 32.203 32.500 0.028 0.000 0.824 126 K HN 0.126 nan 8.250 nan 0.000 0.510 127 L N 1.249 122.529 121.223 0.095 0.000 2.349 127 L HA 0.095 4.435 4.340 -0.000 0.000 0.275 127 L C -0.543 176.355 176.870 0.046 0.000 1.115 127 L CA -0.187 54.714 54.840 0.102 0.000 0.820 127 L CB 1.130 43.297 42.059 0.179 0.000 1.135 127 L HN -0.249 nan 8.230 nan 0.000 0.445 128 V N 6.519 126.447 119.914 0.023 0.000 2.350 128 V HA 0.787 4.907 4.120 -0.000 0.000 0.276 128 V C 0.791 176.867 176.094 -0.030 0.000 1.028 128 V CA 0.386 62.684 62.300 -0.003 0.000 0.860 128 V CB -0.063 31.759 31.823 -0.002 0.000 0.990 128 V HN 1.156 nan 8.190 nan 0.000 0.453 129 G N 4.073 112.836 108.800 -0.062 0.000 2.527 129 G HA2 0.327 4.287 3.960 -0.000 0.000 0.227 129 G HA3 0.327 4.287 3.960 -0.000 0.000 0.227 129 G C 0.735 175.515 174.900 -0.200 0.000 1.291 129 G CA -0.023 44.993 45.100 -0.141 0.000 0.904 129 G HN 2.109 nan 8.290 nan 0.000 0.577 130 G N -3.129 105.416 108.800 -0.425 0.000 2.195 130 G HA2 0.126 4.086 3.960 -0.000 0.000 0.224 130 G HA3 0.126 4.086 3.960 -0.000 0.000 0.224 130 G C 0.312 174.889 174.900 -0.539 0.000 0.990 130 G CA 0.957 45.792 45.100 -0.441 0.000 0.639 130 G HN 2.023 nan 8.290 nan 0.000 0.514 131 V N 2.105 121.690 119.914 -0.547 0.000 2.304 131 V HA 0.671 4.791 4.120 -0.000 0.000 0.278 131 V C 0.108 175.970 176.094 -0.387 0.000 1.018 131 V CA -0.896 61.207 62.300 -0.329 0.000 0.814 131 V CB 0.400 32.145 31.823 -0.130 0.000 1.021 131 V HN 0.241 nan 8.190 nan 0.000 0.440 132 F N 1.366 121.330 119.950 0.024 0.000 2.380 132 F HA 0.483 5.010 4.527 -0.000 0.000 0.319 132 F C 1.054 176.880 175.800 0.042 0.000 1.113 132 F CA -0.997 57.015 58.000 0.020 0.000 1.056 132 F CB 0.694 39.709 39.000 0.025 0.000 1.289 132 F HN 0.421 nan 8.300 nan 0.000 0.515 133 E N 0.010 120.363 120.200 0.255 0.000 2.316 133 E HA 0.021 4.371 4.350 -0.000 0.000 0.275 133 E C -0.146 176.603 176.600 0.249 0.000 1.029 133 E CA -0.082 56.446 56.400 0.213 0.000 0.871 133 E CB 0.650 30.484 29.700 0.223 0.000 1.022 133 E HN 0.618 nan 8.360 nan 0.000 0.418 134 D N 3.352 123.860 120.400 0.178 0.000 2.309 134 D HA -0.205 4.435 4.640 -0.000 0.000 0.212 134 D C 1.617 177.996 176.300 0.131 0.000 0.968 134 D CA 1.109 55.196 54.000 0.145 0.000 0.882 134 D CB 0.184 41.044 40.800 0.100 0.000 0.918 134 D HN 0.418 nan 8.370 nan 0.000 0.503 135 K N -1.095 119.396 120.400 0.152 0.000 2.103 135 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 135 K C 1.101 177.668 176.600 -0.054 0.000 1.048 135 K CA 1.213 57.523 56.287 0.038 0.000 0.930 135 K CB -0.088 32.421 32.500 0.015 0.000 0.716 135 K HN 0.294 nan 8.250 nan 0.000 0.444 136 Y N -0.335 119.994 120.300 0.048 0.000 2.396 136 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 136 Y C 0.606 176.513 175.900 0.010 0.000 1.128 136 Y CA -0.098 58.020 58.100 0.030 0.000 1.194 136 Y CB 0.587 39.059 38.460 0.020 0.000 1.124 136 Y HN -0.284 nan 8.280 nan 0.000 0.543 137 V N 2.583 122.605 119.914 0.179 0.000 2.318 137 V HA 0.168 4.288 4.120 -0.000 0.000 0.271 137 V C 0.490 176.634 176.094 0.083 0.000 1.030 137 V CA -0.763 61.584 62.300 0.080 0.000 0.844 137 V CB 1.282 33.108 31.823 0.005 0.000 1.015 137 V HN 0.158 nan 8.190 nan 0.000 0.460 138 K N 2.482 122.926 120.400 0.074 0.000 2.243 138 K HA 0.118 4.438 4.320 -0.000 0.000 0.201 138 K C 0.825 177.444 176.600 0.031 0.000 1.051 138 K CA 0.748 57.073 56.287 0.063 0.000 0.970 138 K CB 0.213 32.759 32.500 0.077 0.000 0.755 138 K HN 0.800 nan 8.250 nan 0.000 0.465 139 S N -1.344 114.356 115.700 -0.000 0.000 2.567 139 S HA 0.445 4.915 4.470 -0.000 0.000 0.270 139 S C -0.989 173.551 174.600 -0.100 0.000 1.152 139 S CA -1.125 57.025 58.200 -0.083 0.000 0.835 139 S CB 1.192 64.253 63.200 -0.231 0.000 1.115 139 S HN 0.071 nan 8.310 nan 0.000 0.459 140 C N 1.347 120.601 119.300 -0.078 0.000 2.561 140 C HA 0.933 5.393 4.460 -0.000 0.000 0.319 140 C C -0.033 174.904 174.990 -0.088 0.000 1.198 140 C CA -0.538 58.449 59.018 -0.053 0.000 1.665 140 C CB 1.468 29.231 27.740 0.039 0.000 2.258 140 C HN 1.035 nan 8.230 nan 0.000 0.493 141 R N 1.993 122.434 120.500 -0.098 0.000 2.651 141 R HA 0.809 5.149 4.340 -0.000 0.000 0.278 141 R C -1.913 174.330 176.300 -0.095 0.000 1.010 141 R CA -0.435 55.609 56.100 -0.093 0.000 0.896 141 R CB 1.148 31.359 30.300 -0.149 0.000 1.211 141 R HN 0.798 nan 8.270 nan 0.000 0.456 142 I N 4.029 124.548 120.570 -0.085 0.000 2.569 142 I HA 0.517 4.687 4.170 -0.000 0.000 0.290 142 I C -0.646 175.378 176.117 -0.154 0.000 1.088 142 I CA -0.970 60.200 61.300 -0.216 0.000 1.047 142 I CB 1.949 39.711 38.000 -0.398 0.000 1.237 142 I HN 0.592 nan 8.210 nan 0.000 0.421 143 R N 5.557 125.946 120.500 -0.185 0.000 2.799 143 R HA 0.839 5.179 4.340 -0.000 0.000 0.270 143 R C -1.773 174.562 176.300 0.058 0.000 1.010 143 R CA -0.339 55.767 56.100 0.010 0.000 0.916 143 R CB 2.191 32.427 30.300 -0.107 0.000 1.228 143 R HN 0.868 nan 8.270 nan 0.000 0.469 144 C N -0.547 118.869 119.300 0.192 0.000 3.239 144 C HA 0.911 5.371 4.460 -0.000 0.000 0.317 144 C C 0.036 175.065 174.990 0.065 0.000 1.310 144 C CA -0.309 58.791 59.018 0.136 0.000 1.371 144 C CB 1.375 29.267 27.740 0.254 0.000 1.714 144 C HN 0.958 nan 8.230 nan 0.000 0.473 145 G N 1.518 110.336 108.800 0.031 0.000 2.441 145 G HA2 0.807 4.767 3.960 -0.000 0.000 0.334 145 G HA3 0.807 4.767 3.960 -0.000 0.000 0.334 145 G C -1.035 173.847 174.900 -0.030 0.000 1.161 145 G CA -0.481 44.628 45.100 0.016 0.000 0.935 145 G HN 0.892 nan 8.290 nan 0.000 0.488 146 R N -0.633 119.851 120.500 -0.027 0.000 2.855 146 R HA 0.761 5.101 4.340 -0.000 0.000 0.266 146 R C -1.082 175.237 176.300 0.031 0.000 1.034 146 R CA -0.835 55.231 56.100 -0.056 0.000 0.944 146 R CB 1.825 32.049 30.300 -0.127 0.000 1.219 146 R HN 0.511 nan 8.270 nan 0.000 0.474 147 S N -0.142 115.606 115.700 0.080 0.000 2.541 147 S HA 0.398 4.868 4.470 -0.000 0.000 0.280 147 S C -0.746 174.005 174.600 0.252 0.000 1.112 147 S CA -0.700 57.634 58.200 0.223 0.000 0.925 147 S CB 2.445 65.703 63.200 0.095 0.000 1.067 147 S HN 0.239 nan 8.310 nan 0.000 0.479 148 V N 3.555 123.671 119.914 0.336 0.000 2.455 148 V HA 0.250 4.370 4.120 -0.000 0.000 0.273 148 V C 0.690 176.827 176.094 0.071 0.000 1.045 148 V CA -0.333 61.995 62.300 0.046 0.000 0.976 148 V CB 0.738 32.444 31.823 -0.194 0.000 0.993 148 V HN 0.723 nan 8.190 nan 0.000 0.475 149 K N 3.217 123.657 120.400 0.068 0.000 2.436 149 K HA 0.328 4.648 4.320 -0.000 0.000 0.275 149 K C 1.252 177.879 176.600 0.044 0.000 0.999 149 K CA 0.965 57.285 56.287 0.055 0.000 0.980 149 K CB 0.436 32.965 32.500 0.048 0.000 0.919 149 K HN 1.055 nan 8.250 nan 0.000 0.484 150 G N 1.331 110.155 108.800 0.039 0.000 2.179 150 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 150 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 150 G C -0.384 174.553 174.900 0.062 0.000 0.977 150 G CA 0.237 45.368 45.100 0.051 0.000 0.641 150 G HN 0.473 nan 8.290 nan 0.000 0.533 151 V N 0.707 120.659 119.914 0.064 0.000 2.443 151 V HA 0.474 4.594 4.120 -0.000 0.000 0.293 151 V C 1.305 177.496 176.094 0.162 0.000 1.021 151 V CA -0.995 61.341 62.300 0.060 0.000 0.848 151 V CB 1.168 32.945 31.823 -0.076 0.000 0.998 151 V HN 0.460 nan 8.190 nan 0.000 0.424 152 C N 5.123 124.514 119.300 0.151 0.000 2.522 152 C HA -0.007 4.453 4.460 -0.000 0.000 0.394 152 C C 0.880 176.022 174.990 0.254 0.000 1.359 152 C CA 0.145 59.268 59.018 0.174 0.000 1.667 152 C CB -0.761 27.055 27.740 0.126 0.000 2.595 152 C HN 0.674 nan 8.230 nan 0.000 0.604 153 L N 5.677 126.994 121.223 0.156 0.000 2.395 153 L HA 0.221 4.561 4.340 -0.000 0.000 0.269 153 L C -1.141 175.766 176.870 0.061 0.000 1.133 153 L CA -1.323 53.534 54.840 0.028 0.000 0.812 153 L CB 0.346 42.400 42.059 -0.009 0.000 1.125 153 L HN 0.458 nan 8.230 nan 0.000 0.452 154 P HA -0.199 nan 4.420 nan 0.000 0.222 154 P C -1.503 175.831 177.300 0.057 0.000 1.155 154 P CA 1.664 64.797 63.100 0.056 0.000 0.890 154 P CB -0.797 30.915 31.700 0.019 0.000 0.790 155 P HA -0.027 nan 4.420 nan 0.000 0.230 155 P C 0.732 178.058 177.300 0.044 0.000 1.158 155 P CA 1.726 64.851 63.100 0.041 0.000 0.769 155 P CB -0.298 31.423 31.700 0.036 0.000 0.807 156 A N -1.836 121.017 122.820 0.056 0.000 2.548 156 A HA 0.267 4.587 4.320 -0.000 0.000 0.236 156 A C 0.849 178.464 177.584 0.050 0.000 1.246 156 A CA -0.211 51.854 52.037 0.047 0.000 0.993 156 A CB -0.547 18.487 19.000 0.055 0.000 1.209 156 A HN 0.127 nan 8.150 nan 0.000 0.570 157 M N 1.217 120.861 119.600 0.073 0.000 2.233 157 M HA 0.509 4.989 4.480 -0.000 0.000 0.350 157 M C 0.540 176.876 176.300 0.060 0.000 1.176 157 M CA -0.019 55.327 55.300 0.077 0.000 1.150 157 M CB 0.535 33.205 32.600 0.118 0.000 1.530 157 M HN 0.282 nan 8.290 nan 0.000 0.459 158 S N 3.371 119.101 115.700 0.050 0.000 2.658 158 S HA 0.157 4.627 4.470 -0.000 0.000 0.249 158 S C 0.888 175.519 174.600 0.052 0.000 1.363 158 S CA -0.209 58.023 58.200 0.054 0.000 0.964 158 S CB 0.687 63.924 63.200 0.061 0.000 0.973 158 S HN 0.907 nan 8.310 nan 0.000 0.588 159 R N 0.012 120.544 120.500 0.054 0.000 2.080 159 R HA 0.099 4.439 4.340 -0.000 0.000 0.222 159 R C 2.774 179.091 176.300 0.027 0.000 1.107 159 R CA 0.962 57.087 56.100 0.040 0.000 0.980 159 R CB -1.013 29.312 30.300 0.042 0.000 0.879 159 R HN 0.777 nan 8.270 nan 0.000 0.439 160 A N 1.564 124.404 122.820 0.034 0.000 1.873 160 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 160 A C 1.950 179.538 177.584 0.007 0.000 1.193 160 A CA 1.631 53.682 52.037 0.023 0.000 0.629 160 A CB -0.518 18.504 19.000 0.036 0.000 0.826 160 A HN 0.328 nan 8.150 nan 0.000 0.447 161 E N -1.102 119.106 120.200 0.013 0.000 2.049 161 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 161 E C 2.386 178.963 176.600 -0.038 0.000 1.007 161 E CA 1.324 57.720 56.400 -0.008 0.000 0.809 161 E CB -0.175 29.534 29.700 0.016 0.000 0.749 161 E HN 0.551 nan 8.360 nan 0.000 0.450 162 R N 0.593 121.085 120.500 -0.012 0.000 2.096 162 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 162 R C 2.252 178.525 176.300 -0.045 0.000 1.127 162 R CA 1.241 57.329 56.100 -0.021 0.000 0.968 162 R CB 0.045 30.354 30.300 0.014 0.000 0.861 162 R HN 0.060 nan 8.270 nan 0.000 0.440 163 R N 0.057 120.538 120.500 -0.032 0.000 2.090 163 R HA -0.114 4.226 4.340 -0.000 0.000 0.228 163 R C 2.290 178.554 176.300 -0.061 0.000 1.110 163 R CA 0.989 57.068 56.100 -0.035 0.000 0.973 163 R CB -0.396 29.895 30.300 -0.015 0.000 0.869 163 R HN 0.154 nan 8.270 nan 0.000 0.440 164 L N 0.834 122.016 121.223 -0.068 0.000 2.012 164 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 164 L C 1.966 178.735 176.870 -0.168 0.000 1.073 164 L CA 1.714 56.495 54.840 -0.098 0.000 0.748 164 L CB -0.420 41.589 42.059 -0.084 0.000 0.891 164 L HN -0.097 nan 8.230 nan 0.000 0.431 165 V N -0.051 119.751 119.914 -0.187 0.000 2.358 165 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 165 V C 2.624 178.591 176.094 -0.212 0.000 1.047 165 V CA 1.942 64.093 62.300 -0.247 0.000 1.035 165 V CB -0.717 30.931 31.823 -0.292 0.000 0.658 165 V HN 0.639 nan 8.190 nan 0.000 0.452 166 E N 0.066 120.172 120.200 -0.157 0.000 2.077 166 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 166 E C 2.337 178.810 176.600 -0.212 0.000 0.989 166 E CA 1.096 57.393 56.400 -0.172 0.000 0.800 166 E CB -0.040 29.611 29.700 -0.082 0.000 0.746 166 E HN 0.293 nan 8.360 nan 0.000 0.452 167 K N 0.680 120.987 120.400 -0.155 0.000 1.991 167 K HA -0.130 4.190 4.320 -0.000 0.000 0.212 167 K C 2.155 178.652 176.600 -0.173 0.000 1.049 167 K CA 1.298 57.505 56.287 -0.134 0.000 0.932 167 K CB -0.817 31.626 32.500 -0.094 0.000 0.717 167 K HN 0.106 nan 8.250 nan 0.000 0.441 168 V N 0.809 120.587 119.914 -0.226 0.000 2.282 168 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 168 V C 2.558 178.513 176.094 -0.231 0.000 1.057 168 V CA 1.821 63.955 62.300 -0.276 0.000 1.032 168 V CB -0.357 31.122 31.823 -0.574 0.000 0.645 168 V HN 0.055 nan 8.190 nan 0.000 0.447 169 V N 0.654 120.410 119.914 -0.263 0.000 2.283 169 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 169 V C 2.585 178.488 176.094 -0.319 0.000 1.039 169 V CA 2.096 64.234 62.300 -0.269 0.000 1.016 169 V CB -0.798 30.872 31.823 -0.257 0.000 0.650 169 V HN 0.724 nan 8.190 nan 0.000 0.449 170 S N -0.051 115.415 115.700 -0.390 0.000 2.400 170 S HA -0.250 4.220 4.470 -0.000 0.000 0.232 170 S C 1.601 176.079 174.600 -0.204 0.000 1.025 170 S CA 1.566 59.538 58.200 -0.379 0.000 0.993 170 S CB -0.544 62.328 63.200 -0.547 0.000 0.808 170 S HN 0.557 nan 8.310 nan 0.000 0.478 171 D N 2.503 122.800 120.400 -0.172 0.000 2.087 171 D HA -0.004 4.636 4.640 -0.000 0.000 0.192 171 D C 2.348 178.581 176.300 -0.111 0.000 0.993 171 D CA 1.650 55.588 54.000 -0.104 0.000 0.828 171 D CB -0.815 39.937 40.800 -0.079 0.000 0.968 171 D HN 0.461 nan 8.370 nan 0.000 0.448 172 A N 0.760 123.493 122.820 -0.144 0.000 1.865 172 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 172 A C 2.350 179.816 177.584 -0.197 0.000 1.191 172 A CA 1.247 53.200 52.037 -0.141 0.000 0.623 172 A CB -1.043 17.870 19.000 -0.146 0.000 0.826 172 A HN 0.287 nan 8.150 nan 0.000 0.444 173 L N -0.136 120.883 121.223 -0.340 0.000 2.551 173 L HA -0.111 4.229 4.340 -0.000 0.000 0.230 173 L C 2.467 179.187 176.870 -0.251 0.000 1.163 173 L CA 0.482 54.992 54.840 -0.550 0.000 0.826 173 L CB -0.678 40.650 42.059 -1.219 0.000 0.943 173 L HN 0.514 nan 8.230 nan 0.000 0.452 174 G N -0.157 108.577 108.800 -0.109 0.000 2.448 174 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 174 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 174 G C 1.570 176.483 174.900 0.022 0.000 1.135 174 G CA 0.562 45.671 45.100 0.014 0.000 0.784 174 G HN 0.469 nan 8.290 nan 0.000 0.543 175 G N 0.312 109.100 108.800 -0.021 0.000 2.509 175 G HA2 0.116 4.076 3.960 -0.000 0.000 0.218 175 G HA3 0.116 4.076 3.960 -0.000 0.000 0.218 175 G C 0.781 175.688 174.900 0.012 0.000 1.124 175 G CA -0.270 44.825 45.100 -0.009 0.000 0.776 175 G HN 0.388 nan 8.290 nan 0.000 0.547 176 L N 0.113 121.354 121.223 0.030 0.000 2.483 176 L HA 0.316 4.656 4.340 -0.000 0.000 0.275 176 L C 0.415 177.352 176.870 0.111 0.000 1.220 176 L CA 0.554 55.444 54.840 0.083 0.000 0.833 176 L CB 0.745 42.909 42.059 0.175 0.000 1.102 176 L HN 0.103 nan 8.230 nan 0.000 0.490 177 K N 0.451 120.905 120.400 0.090 0.000 2.522 177 K HA 0.685 5.005 4.320 -0.000 0.000 0.275 177 K C -0.032 176.603 176.600 0.059 0.000 1.006 177 K CA -0.357 55.974 56.287 0.072 0.000 0.890 177 K CB 1.907 34.431 32.500 0.040 0.000 1.475 177 K HN 0.711 nan 8.250 nan 0.000 0.441 178 G N 1.544 110.371 108.800 0.046 0.000 2.527 178 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.262 178 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.262 178 G C -0.009 174.914 174.900 0.038 0.000 1.153 178 G CA 0.471 45.588 45.100 0.030 0.000 0.954 178 G HN 0.846 nan 8.290 nan 0.000 0.552 179 D N 1.106 121.521 120.400 0.025 0.000 2.339 179 D HA 0.135 4.775 4.640 -0.000 0.000 0.217 179 D C 2.046 178.383 176.300 0.061 0.000 1.050 179 D CA 0.559 54.578 54.000 0.032 0.000 0.856 179 D CB 0.049 40.857 40.800 0.012 0.000 0.922 179 D HN 0.513 nan 8.370 nan 0.000 0.518 180 L N 0.076 121.349 121.223 0.082 0.000 2.693 180 L HA 0.373 4.713 4.340 -0.000 0.000 0.235 180 L C 1.005 178.102 176.870 0.378 0.000 1.127 180 L CA -0.426 54.531 54.840 0.194 0.000 0.914 180 L CB 0.205 42.291 42.059 0.045 0.000 1.193 180 L HN -0.062 nan 8.230 nan 0.000 0.502 181 A N 0.512 123.473 122.820 0.234 0.000 2.401 181 A HA 0.634 4.954 4.320 -0.000 0.000 0.259 181 A C 0.492 178.159 177.584 0.139 0.000 1.103 181 A CA 0.532 52.721 52.037 0.252 0.000 0.789 181 A CB 0.442 19.525 19.000 0.139 0.000 1.035 181 A HN 0.312 nan 8.150 nan 0.000 0.491 182 G N 0.558 109.437 108.800 0.132 0.000 2.753 182 G HA2 0.596 4.556 3.960 -0.000 0.000 0.303 182 G HA3 0.596 4.556 3.960 -0.000 0.000 0.303 182 G C -1.048 173.700 174.900 -0.254 0.000 1.242 182 G CA -0.259 44.625 45.100 -0.361 0.000 0.810 182 G HN 0.888 nan 8.290 nan 0.000 0.515 183 K N -1.059 118.973 120.400 -0.612 0.000 2.527 183 K HA 0.522 4.842 4.320 -0.000 0.000 0.260 183 K C -2.014 174.335 176.600 -0.419 0.000 0.937 183 K CA -0.825 55.237 56.287 -0.375 0.000 0.826 183 K CB 2.495 34.701 32.500 -0.489 0.000 1.359 183 K HN 0.485 nan 8.250 nan 0.000 0.434 184 Y N 2.938 123.145 120.300 -0.154 0.000 2.304 184 Y HA 0.319 4.869 4.550 -0.000 0.000 0.328 184 Y C -1.513 174.189 175.900 -0.329 0.000 1.123 184 Y CA -0.058 58.051 58.100 0.015 0.000 1.218 184 Y CB 0.609 39.170 38.460 0.168 0.000 1.207 184 Y HN 0.470 nan 8.280 nan 0.000 0.495 185 Y N 7.481 127.399 120.300 -0.636 0.000 2.749 185 Y HA 0.356 4.906 4.550 -0.000 0.000 0.343 185 Y C -2.175 173.277 175.900 -0.748 0.000 1.015 185 Y CA -2.879 54.883 58.100 -0.563 0.000 1.270 185 Y CB 0.236 38.518 38.460 -0.296 0.000 1.097 185 Y HN 0.542 nan 8.280 nan 0.000 0.571 186 P HA -0.101 nan 4.420 nan 0.000 0.273 186 P C 0.593 177.786 177.300 -0.179 0.000 1.252 186 P CA -0.043 62.786 63.100 -0.453 0.000 0.809 186 P CB 1.510 33.077 31.700 -0.221 0.000 1.017 187 L N -0.014 121.147 121.223 -0.104 0.000 2.470 187 L HA -0.001 4.339 4.340 -0.000 0.000 0.219 187 L C 2.576 179.407 176.870 -0.066 0.000 1.071 187 L CA 1.917 56.710 54.840 -0.078 0.000 0.850 187 L CB -1.764 40.233 42.059 -0.103 0.000 1.040 187 L HN 0.472 nan 8.230 nan 0.000 0.475 188 T N -3.699 110.810 114.554 -0.074 0.000 2.803 188 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 188 T C 1.520 176.203 174.700 -0.027 0.000 1.052 188 T CA 1.944 64.016 62.100 -0.047 0.000 1.136 188 T CB -0.836 68.008 68.868 -0.039 0.000 0.864 188 T HN 0.431 nan 8.240 nan 0.000 0.467 189 T N -1.435 113.098 114.554 -0.036 0.000 3.060 189 T HA 0.385 4.735 4.350 -0.000 0.000 0.249 189 T C 0.677 175.366 174.700 -0.018 0.000 1.079 189 T CA -0.446 61.639 62.100 -0.025 0.000 1.013 189 T CB -0.353 68.496 68.868 -0.031 0.000 0.975 189 T HN 0.456 nan 8.240 nan 0.000 0.518 190 M N 4.021 123.607 119.600 -0.023 0.000 2.184 190 M HA 0.192 4.672 4.480 -0.000 0.000 0.351 190 M C 0.300 176.596 176.300 -0.007 0.000 1.395 190 M CA -0.398 54.892 55.300 -0.017 0.000 1.117 190 M CB 0.466 33.047 32.600 -0.031 0.000 1.708 190 M HN 0.278 nan 8.290 nan 0.000 0.468 191 N N 4.525 123.221 118.700 -0.007 0.000 2.525 191 N HA 0.013 4.753 4.740 -0.000 0.000 0.271 191 N C 0.130 175.639 175.510 -0.001 0.000 1.194 191 N CA -0.147 52.902 53.050 -0.002 0.000 0.964 191 N CB 0.821 39.306 38.487 -0.004 0.000 1.126 191 N HN 0.824 nan 8.380 nan 0.000 0.452 192 E N 2.361 122.567 120.200 0.009 0.000 2.068 192 E HA -0.266 4.084 4.350 -0.000 0.000 0.207 192 E C 1.405 178.004 176.600 -0.002 0.000 1.032 192 E CA 1.904 58.310 56.400 0.011 0.000 0.839 192 E CB -0.011 29.697 29.700 0.014 0.000 0.758 192 E HN 0.674 nan 8.360 nan 0.000 0.457 193 K N 0.311 120.707 120.400 -0.006 0.000 2.211 193 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 193 K C 1.653 178.240 176.600 -0.022 0.000 1.047 193 K CA 1.275 57.555 56.287 -0.013 0.000 0.935 193 K CB -0.010 32.483 32.500 -0.012 0.000 0.728 193 K HN 0.122 nan 8.250 nan 0.000 0.452 194 D N 0.322 120.706 120.400 -0.027 0.000 2.183 194 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 194 D C 1.898 178.166 176.300 -0.053 0.000 0.962 194 D CA 0.821 54.794 54.000 -0.045 0.000 0.849 194 D CB 0.037 40.806 40.800 -0.051 0.000 0.978 194 D HN 0.193 nan 8.370 nan 0.000 0.488 195 Q N 0.638 120.415 119.800 -0.039 0.000 2.084 195 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 195 Q C 1.762 177.740 176.000 -0.037 0.000 0.978 195 Q CA 1.348 57.127 55.803 -0.041 0.000 0.844 195 Q CB 0.155 28.890 28.738 -0.004 0.000 0.898 195 Q HN 0.256 nan 8.270 nan 0.000 0.426 196 E N -0.301 119.883 120.200 -0.026 0.000 2.077 196 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 196 E C 1.979 178.557 176.600 -0.035 0.000 0.989 196 E CA 1.122 57.505 56.400 -0.028 0.000 0.800 196 E CB 0.017 29.704 29.700 -0.022 0.000 0.746 196 E HN 0.206 nan 8.360 nan 0.000 0.452 197 Q N 0.623 120.404 119.800 -0.030 0.000 2.167 197 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 197 Q C 1.832 177.836 176.000 0.006 0.000 0.970 197 Q CA 1.162 56.952 55.803 -0.021 0.000 0.855 197 Q CB -0.004 28.720 28.738 -0.023 0.000 0.911 197 Q HN 0.301 nan 8.270 nan 0.000 0.438 198 L N -0.874 120.348 121.223 -0.002 0.000 2.131 198 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 198 L C 2.081 178.998 176.870 0.079 0.000 1.087 198 L CA 0.628 55.508 54.840 0.066 0.000 0.767 198 L CB -0.255 41.784 42.059 -0.032 0.000 0.917 198 L HN 0.218 nan 8.230 nan 0.000 0.441 199 I N -0.321 120.237 120.570 -0.020 0.000 2.286 199 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 199 I C 2.537 178.564 176.117 -0.150 0.000 1.104 199 I CA 1.151 62.417 61.300 -0.057 0.000 1.397 199 I CB -0.259 37.706 38.000 -0.057 0.000 1.072 199 I HN 0.288 nan 8.210 nan 0.000 0.417 200 E N 0.821 120.935 120.200 -0.143 0.000 2.265 200 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 200 E C 0.487 176.864 176.600 -0.373 0.000 0.996 200 E CA 1.118 57.387 56.400 -0.218 0.000 0.832 200 E CB 0.146 29.778 29.700 -0.113 0.000 0.756 200 E HN 0.441 nan 8.360 nan 0.000 0.491 201 D N -0.797 119.449 120.400 -0.256 0.000 2.462 201 D HA 0.053 4.693 4.640 -0.000 0.000 0.221 201 D C -0.332 175.693 176.300 -0.458 0.000 1.173 201 D CA -0.036 53.807 54.000 -0.261 0.000 0.831 201 D CB 0.313 41.155 40.800 0.071 0.000 1.001 201 D HN 0.243 nan 8.370 nan 0.000 0.499 202 H N -1.463 117.487 119.070 -0.199 0.000 3.257 202 H HA -0.190 4.366 4.556 -0.000 0.000 0.222 202 H C 0.795 176.041 175.328 -0.138 0.000 1.143 202 H CA 0.572 56.513 56.048 -0.177 0.000 1.152 202 H CB -1.883 27.740 29.762 -0.233 0.000 1.188 202 H HN 0.246 nan 8.280 nan 0.000 0.315 203 F N 0.384 120.415 119.950 0.136 0.000 2.317 203 F HA 0.159 4.686 4.527 -0.000 0.000 0.293 203 F C 1.416 177.408 175.800 0.321 0.000 1.085 203 F CA 0.563 58.649 58.000 0.143 0.000 1.390 203 F CB 0.365 39.360 39.000 -0.008 0.000 1.077 203 F HN 0.065 nan 8.300 nan 0.000 0.517 204 L N -0.004 121.404 121.223 0.309 0.000 2.342 204 L HA 0.484 4.824 4.340 -0.000 0.000 0.271 204 L C -0.413 176.247 176.870 -0.350 0.000 1.008 204 L CA -1.508 53.260 54.840 -0.119 0.000 0.818 204 L CB 0.587 42.441 42.059 -0.342 0.000 1.296 204 L HN 0.022 nan 8.230 nan 0.000 0.427 205 F N 0.679 120.174 119.950 -0.759 0.000 2.628 205 F HA 0.277 4.804 4.527 -0.000 0.000 0.362 205 F C 0.691 176.354 175.800 -0.229 0.000 1.148 205 F CA -0.618 56.968 58.000 -0.690 0.000 1.352 205 F CB -0.642 37.791 39.000 -0.947 0.000 1.081 205 F HN 0.709 nan 8.300 nan 0.000 0.605 206 E N 1.579 121.823 120.200 0.074 0.000 2.391 206 E HA 0.223 4.573 4.350 -0.000 0.000 0.255 206 E C -0.664 175.987 176.600 0.085 0.000 1.187 206 E CA -1.011 55.417 56.400 0.048 0.000 0.941 206 E CB 0.414 30.116 29.700 0.004 0.000 1.010 206 E HN 0.604 nan 8.360 nan 0.000 0.458 207 K N 0.773 121.181 120.400 0.015 0.000 2.336 207 K HA 0.063 4.383 4.320 -0.000 0.000 0.262 207 K C -1.871 174.565 176.600 -0.273 0.000 0.992 207 K CA -1.086 55.160 56.287 -0.069 0.000 0.927 207 K CB -0.075 32.388 32.500 -0.062 0.000 0.956 207 K HN 0.468 nan 8.250 nan 0.000 0.495 208 P HA -0.015 nan 4.420 nan 0.000 0.241 208 P C -0.303 176.753 177.300 -0.407 0.000 1.760 208 P CA 0.271 62.910 63.100 -0.768 0.000 1.081 208 P CB -0.265 30.592 31.700 -1.405 0.000 1.975 209 T N -2.493 111.914 114.554 -0.244 0.000 3.087 209 T HA 0.238 4.588 4.350 -0.000 0.000 0.283 209 T C 0.903 175.551 174.700 -0.087 0.000 0.956 209 T CA -0.154 61.859 62.100 -0.146 0.000 0.894 209 T CB -0.166 68.640 68.868 -0.102 0.000 1.160 209 T HN 0.185 nan 8.240 nan 0.000 0.532 210 G N 0.663 109.409 108.800 -0.090 0.000 2.491 210 G HA2 0.473 4.433 3.960 -0.000 0.000 0.238 210 G HA3 0.473 4.433 3.960 -0.000 0.000 0.238 210 G C 1.142 176.025 174.900 -0.028 0.000 1.277 210 G CA -0.138 44.940 45.100 -0.037 0.000 0.851 210 G HN 0.438 nan 8.290 nan 0.000 0.573 211 A N 2.161 124.985 122.820 0.007 0.000 1.898 211 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 211 A C 2.252 179.832 177.584 -0.007 0.000 1.181 211 A CA 1.723 53.760 52.037 0.000 0.000 0.620 211 A CB -0.364 18.646 19.000 0.016 0.000 0.819 211 A HN 0.896 nan 8.150 nan 0.000 0.442 212 L N -0.964 120.259 121.223 0.000 0.000 2.109 212 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 212 L C 2.143 179.004 176.870 -0.014 0.000 1.086 212 L CA 1.665 56.503 54.840 -0.003 0.000 0.760 212 L CB -0.546 41.516 42.059 0.006 0.000 0.910 212 L HN 0.303 nan 8.230 nan 0.000 0.437 213 L N -0.411 120.795 121.223 -0.028 0.000 1.989 213 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 213 L C 2.609 179.451 176.870 -0.047 0.000 1.071 213 L CA 2.594 57.407 54.840 -0.045 0.000 0.749 213 L CB -0.831 41.174 42.059 -0.091 0.000 0.890 213 L HN 0.636 nan 8.230 nan 0.000 0.431 214 T N -4.934 109.584 114.554 -0.059 0.000 2.851 214 T HA -0.129 4.221 4.350 -0.000 0.000 0.262 214 T C 1.732 176.420 174.700 -0.021 0.000 1.043 214 T CA 1.214 63.283 62.100 -0.051 0.000 1.140 214 T CB -1.180 67.648 68.868 -0.067 0.000 0.872 214 T HN 0.503 nan 8.240 nan 0.000 0.446 215 T N 0.585 115.128 114.554 -0.019 0.000 3.118 215 T HA 0.063 4.413 4.350 -0.000 0.000 0.260 215 T C 2.064 176.761 174.700 -0.006 0.000 1.139 215 T CA 0.905 62.999 62.100 -0.009 0.000 1.085 215 T CB -0.574 68.287 68.868 -0.012 0.000 0.934 215 T HN 0.582 nan 8.240 nan 0.000 0.518 216 S N 0.009 115.706 115.700 -0.006 0.000 2.503 216 S HA 0.505 4.975 4.470 -0.000 0.000 0.215 216 S C 1.928 176.533 174.600 0.008 0.000 1.003 216 S CA 0.321 58.518 58.200 -0.004 0.000 0.910 216 S CB -0.184 63.014 63.200 -0.004 0.000 0.790 216 S HN 1.062 nan 8.310 nan 0.000 0.514 217 G N -0.003 108.806 108.800 0.015 0.000 2.201 217 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.212 217 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.212 217 G C 0.809 175.735 174.900 0.043 0.000 0.994 217 G CA -0.116 45.002 45.100 0.031 0.000 0.644 217 G HN 0.510 nan 8.290 nan 0.000 0.508 218 C N 1.341 120.662 119.300 0.035 0.000 2.430 218 C HA 0.395 4.855 4.460 -0.000 0.000 0.288 218 C C 2.698 177.746 174.990 0.097 0.000 1.448 218 C CA 1.635 60.685 59.018 0.053 0.000 1.784 218 C CB -0.967 26.791 27.740 0.030 0.000 1.776 218 C HN 0.968 nan 8.230 nan 0.000 0.547 219 A N -0.272 122.593 122.820 0.075 0.000 2.507 219 A HA 0.258 4.578 4.320 -0.000 0.000 0.270 219 A C 0.623 178.322 177.584 0.193 0.000 1.318 219 A CA -0.274 51.833 52.037 0.117 0.000 0.924 219 A CB -0.200 18.746 19.000 -0.090 0.000 1.061 219 A HN 0.604 nan 8.150 nan 0.000 0.516 220 R N 1.642 122.238 120.500 0.160 0.000 2.590 220 R HA 0.187 4.527 4.340 -0.000 0.000 0.274 220 R C -0.514 175.888 176.300 0.171 0.000 1.061 220 R CA 0.294 56.477 56.100 0.139 0.000 1.081 220 R CB 0.125 30.485 30.300 0.100 0.000 0.984 220 R HN 0.484 nan 8.270 nan 0.000 0.448 221 D N 0.938 121.429 120.400 0.151 0.000 2.716 221 D HA -0.237 4.403 4.640 -0.000 0.000 0.239 221 D C -0.750 175.642 176.300 0.152 0.000 1.125 221 D CA 0.648 54.723 54.000 0.126 0.000 0.681 221 D CB -0.812 40.034 40.800 0.077 0.000 1.070 221 D HN 0.561 nan 8.370 nan 0.000 0.432 222 W N 2.149 123.458 121.300 0.015 0.000 2.304 222 W HA 0.214 4.874 4.660 -0.000 0.000 0.313 222 W C -1.608 174.926 176.519 0.025 0.000 1.323 222 W CA -0.968 56.386 57.345 0.015 0.000 1.223 222 W CB 0.704 30.169 29.460 0.008 0.000 1.237 222 W HN 0.047 nan 8.180 nan 0.000 0.535 223 P HA 0.077 nan 4.420 nan 0.000 0.285 223 P C -0.650 176.399 177.300 -0.417 0.000 1.758 223 P CA -0.263 62.342 63.100 -0.825 0.000 1.278 223 P CB 0.039 31.298 31.700 -0.735 0.000 1.620 224 D N 1.135 121.415 120.400 -0.200 0.000 2.502 224 D HA 0.236 4.876 4.640 -0.000 0.000 0.249 224 D C 1.675 177.905 176.300 -0.116 0.000 1.188 224 D CA 2.377 56.314 54.000 -0.106 0.000 0.890 224 D CB -0.090 40.688 40.800 -0.036 0.000 1.140 224 D HN 0.383 nan 8.370 nan 0.000 0.505 225 G N 3.073 111.828 108.800 -0.075 0.000 2.199 225 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 225 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 225 G C 0.626 175.505 174.900 -0.035 0.000 0.982 225 G CA 0.230 45.307 45.100 -0.039 0.000 0.632 225 G HN 0.570 nan 8.290 nan 0.000 0.529 226 R N 0.361 120.776 120.500 -0.142 0.000 2.546 226 R HA 0.741 5.081 4.340 -0.000 0.000 0.266 226 R C 0.799 177.162 176.300 0.105 0.000 1.086 226 R CA 0.919 56.941 56.100 -0.130 0.000 1.160 226 R CB 1.250 31.218 30.300 -0.554 0.000 1.138 226 R HN 1.342 nan 8.270 nan 0.000 0.567 227 G N -0.347 108.648 108.800 0.324 0.000 2.336 227 G HA2 0.231 4.191 3.960 -0.000 0.000 0.300 227 G HA3 0.231 4.191 3.960 -0.000 0.000 0.300 227 G C -1.863 173.336 174.900 0.498 0.000 1.375 227 G CA -0.830 44.475 45.100 0.341 0.000 0.885 227 G HN 0.539 nan 8.290 nan 0.000 0.599 228 I N -0.686 120.080 120.570 0.327 0.000 2.646 228 I HA 0.856 5.026 4.170 -0.000 0.000 0.299 228 I C -1.254 175.206 176.117 0.571 0.000 1.036 228 I CA -1.471 60.088 61.300 0.431 0.000 1.074 228 I CB 2.073 40.192 38.000 0.198 0.000 1.258 228 I HN 0.804 nan 8.210 nan 0.000 0.430 229 W N 7.086 128.641 121.300 0.424 0.000 2.781 229 W HA 0.644 5.304 4.660 -0.000 0.000 0.345 229 W C -1.354 175.334 176.519 0.281 0.000 1.085 229 W CA 0.084 57.640 57.345 0.352 0.000 1.198 229 W CB 0.996 30.616 29.460 0.267 0.000 1.423 229 W HN 0.703 nan 8.180 nan 0.000 0.532 230 H N 1.067 119.696 119.070 -0.735 0.000 2.935 230 H HA 0.388 4.944 4.556 -0.000 0.000 0.297 230 H C -1.133 173.674 175.328 -0.868 0.000 1.423 230 H CA -1.129 54.484 56.048 -0.725 0.000 1.161 230 H CB 0.368 29.961 29.762 -0.282 0.000 1.841 230 H HN 0.444 nan 8.280 nan 0.000 0.506 231 N N 0.084 118.654 118.700 -0.216 0.000 2.478 231 N HA 0.137 4.877 4.740 -0.000 0.000 0.275 231 N C -0.126 175.425 175.510 0.069 0.000 1.221 231 N CA -0.630 52.354 53.050 -0.110 0.000 0.979 231 N CB 0.229 38.734 38.487 0.031 0.000 1.202 231 N HN 0.701 nan 8.380 nan 0.000 0.564 232 N N -0.152 118.559 118.700 0.018 0.000 2.573 232 N HA -0.092 4.648 4.740 -0.000 0.000 0.187 232 N C 0.288 175.798 175.510 -0.001 0.000 1.107 232 N CA 0.771 53.833 53.050 0.020 0.000 0.918 232 N CB 0.016 38.508 38.487 0.009 0.000 0.966 232 N HN 0.690 nan 8.380 nan 0.000 0.448 233 E N 0.119 120.322 120.200 0.005 0.000 2.447 233 E HA 0.145 4.495 4.350 -0.000 0.000 0.204 233 E C -0.126 176.446 176.600 -0.046 0.000 0.977 233 E CA -0.085 56.313 56.400 -0.004 0.000 0.950 233 E CB 0.331 30.052 29.700 0.035 0.000 0.975 233 E HN 0.065 nan 8.360 nan 0.000 0.496 234 K N 0.739 121.087 120.400 -0.087 0.000 3.160 234 K HA -0.184 4.136 4.320 -0.000 0.000 0.280 234 K C 0.019 176.665 176.600 0.076 0.000 1.154 234 K CA 0.810 56.968 56.287 -0.215 0.000 0.822 234 K CB -1.468 30.605 32.500 -0.712 0.000 1.239 234 K HN 0.214 nan 8.250 nan 0.000 0.489 235 N N 0.080 118.867 118.700 0.146 0.000 2.230 235 N HA 0.119 4.859 4.740 -0.000 0.000 0.202 235 N C -0.513 175.196 175.510 0.332 0.000 1.119 235 N CA -0.210 52.968 53.050 0.213 0.000 0.851 235 N CB 0.426 39.009 38.487 0.160 0.000 0.990 235 N HN 0.157 nan 8.380 nan 0.000 0.497 236 F N 0.840 120.868 119.950 0.129 0.000 2.653 236 F HA 0.542 5.069 4.527 -0.000 0.000 0.327 236 F C -1.961 173.999 175.800 0.267 0.000 1.195 236 F CA -1.332 56.785 58.000 0.194 0.000 0.993 236 F CB 1.018 40.148 39.000 0.216 0.000 1.259 236 F HN -0.146 nan 8.300 nan 0.000 0.478 237 L N 5.717 126.863 121.223 -0.129 0.000 2.388 237 L HA 0.813 5.153 4.340 -0.000 0.000 0.264 237 L C -1.085 175.746 176.870 -0.066 0.000 0.998 237 L CA -1.116 53.753 54.840 0.048 0.000 0.817 237 L CB 2.074 44.219 42.059 0.145 0.000 1.338 237 L HN 0.244 nan 8.230 nan 0.000 0.414 238 V N 0.655 120.712 119.914 0.237 0.000 2.380 238 V HA 0.336 4.456 4.120 -0.000 0.000 0.286 238 V C -1.014 175.332 176.094 0.420 0.000 1.015 238 V CA -0.447 61.943 62.300 0.150 0.000 0.834 238 V CB 1.203 33.026 31.823 -0.002 0.000 1.009 238 V HN 0.562 nan 8.190 nan 0.000 0.428 239 W N 5.481 126.914 121.300 0.222 0.000 2.251 239 W HA 0.433 5.093 4.660 -0.000 0.000 0.327 239 W C 0.050 176.730 176.519 0.268 0.000 1.361 239 W CA -0.893 56.662 57.345 0.349 0.000 1.234 239 W CB 0.203 29.909 29.460 0.409 0.000 1.212 239 W HN 0.343 nan 8.180 nan 0.000 0.557 240 I N 5.169 126.047 120.570 0.514 0.000 2.382 240 I HA 0.100 4.270 4.170 -0.000 0.000 0.285 240 I C 0.193 176.411 176.117 0.168 0.000 1.007 240 I CA -0.752 60.711 61.300 0.272 0.000 1.142 240 I CB 0.939 39.048 38.000 0.180 0.000 1.289 240 I HN 0.406 nan 8.210 nan 0.000 0.453 241 N N 3.327 122.091 118.700 0.107 0.000 2.818 241 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 241 N C 0.738 176.185 175.510 -0.104 0.000 1.108 241 N CA 0.869 53.937 53.050 0.030 0.000 0.745 241 N CB -0.539 37.952 38.487 0.006 0.000 1.104 241 N HN 0.744 nan 8.380 nan 0.000 0.557 242 E N 1.014 121.094 120.200 -0.200 0.000 3.033 242 E HA -0.018 4.332 4.350 -0.000 0.000 0.420 242 E C 1.298 177.849 176.600 -0.082 0.000 0.478 242 E CA 0.521 56.702 56.400 -0.365 0.000 2.555 242 E CB 0.003 29.232 29.700 -0.785 0.000 1.927 242 E HN 0.454 nan 8.360 nan 0.000 0.499 243 E N -0.103 120.080 120.200 -0.027 0.000 2.158 243 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 243 E C -0.145 176.463 176.600 0.013 0.000 0.982 243 E CA 0.612 57.022 56.400 0.016 0.000 0.823 243 E CB 0.266 29.992 29.700 0.044 0.000 0.766 243 E HN 0.174 nan 8.360 nan 0.000 0.468 244 D N -1.828 118.597 120.400 0.041 0.000 2.525 244 D HA 0.164 4.804 4.640 -0.000 0.000 0.249 244 D C 0.439 176.768 176.300 0.048 0.000 1.072 244 D CA -0.534 53.458 54.000 -0.013 0.000 1.067 244 D CB 0.642 41.454 40.800 0.020 0.000 1.282 244 D HN 0.149 nan 8.370 nan 0.000 0.587 245 H N -0.781 118.316 119.070 0.045 0.000 2.462 245 H HA 0.187 4.743 4.556 -0.000 0.000 0.292 245 H C 0.176 175.522 175.328 0.031 0.000 1.049 245 H CA 0.657 56.718 56.048 0.021 0.000 1.334 245 H CB 0.531 30.292 29.762 -0.001 0.000 1.404 245 H HN 0.091 nan 8.280 nan 0.000 0.544 246 I N -0.104 120.568 120.570 0.170 0.000 2.841 246 I HA 0.285 4.455 4.170 -0.000 0.000 0.298 246 I C -0.978 175.216 176.117 0.127 0.000 1.304 246 I CA -0.860 60.513 61.300 0.122 0.000 1.019 246 I CB 2.629 40.652 38.000 0.039 0.000 1.282 246 I HN -0.076 nan 8.210 nan 0.000 0.432 247 R N 4.140 124.725 120.500 0.142 0.000 2.569 247 R HA 0.427 4.767 4.340 -0.000 0.000 0.293 247 R C -1.504 174.754 176.300 -0.071 0.000 1.186 247 R CA -0.671 55.464 56.100 0.057 0.000 0.956 247 R CB 2.041 32.413 30.300 0.121 0.000 1.196 247 R HN 0.323 nan 8.270 nan 0.000 0.444 248 V N 5.451 125.326 119.914 -0.064 0.000 2.555 248 V HA 0.374 4.494 4.120 -0.000 0.000 0.286 248 V C 0.590 176.673 176.094 -0.019 0.000 1.044 248 V CA 0.049 62.284 62.300 -0.108 0.000 1.026 248 V CB 0.882 32.654 31.823 -0.085 0.000 0.981 248 V HN 0.518 nan 8.190 nan 0.000 0.480 249 I N 4.130 124.625 120.570 -0.125 0.000 2.534 249 I HA 0.345 4.515 4.170 -0.000 0.000 0.286 249 I C -0.319 175.890 176.117 0.153 0.000 1.094 249 I CA -0.105 61.180 61.300 -0.024 0.000 1.055 249 I CB 2.038 39.883 38.000 -0.257 0.000 1.225 249 I HN 0.580 nan 8.210 nan 0.000 0.435 250 S N 8.584 124.484 115.700 0.334 0.000 2.454 250 S HA 0.914 5.384 4.470 -0.000 0.000 0.306 250 S C -0.544 174.165 174.600 0.181 0.000 1.100 250 S CA -0.511 57.900 58.200 0.353 0.000 1.087 250 S CB 0.871 64.349 63.200 0.463 0.000 1.019 250 S HN 0.652 nan 8.310 nan 0.000 0.480 251 M N 3.031 122.722 119.600 0.151 0.000 2.721 251 M HA 0.653 5.133 4.480 -0.000 0.000 0.271 251 M C -1.900 174.449 176.300 0.081 0.000 1.259 251 M CA -0.863 54.477 55.300 0.067 0.000 0.835 251 M CB 2.045 34.643 32.600 -0.004 0.000 1.689 251 M HN 0.727 nan 8.290 nan 0.000 0.470 252 Q N 0.281 120.099 119.800 0.030 0.000 2.736 252 Q HA 0.456 4.796 4.340 -0.000 0.000 0.273 252 Q C -2.187 173.818 176.000 0.008 0.000 0.948 252 Q CA -1.139 54.691 55.803 0.044 0.000 0.854 252 Q CB 1.843 30.621 28.738 0.066 0.000 1.569 252 Q HN 0.815 nan 8.270 nan 0.000 0.405 253 K N 0.727 121.139 120.400 0.020 0.000 2.322 253 K HA 0.705 5.025 4.320 -0.000 0.000 0.283 253 K C 0.123 176.744 176.600 0.035 0.000 1.042 253 K CA 1.151 57.446 56.287 0.014 0.000 0.958 253 K CB 1.191 33.707 32.500 0.026 0.000 0.984 253 K HN 0.891 nan 8.250 nan 0.000 0.473 254 G N 0.707 109.531 108.800 0.040 0.000 2.316 254 G HA2 0.081 4.041 3.960 -0.000 0.000 0.349 254 G HA3 0.081 4.041 3.960 -0.000 0.000 0.349 254 G C 0.049 175.004 174.900 0.093 0.000 1.274 254 G CA -0.492 44.647 45.100 0.065 0.000 1.018 254 G HN 0.627 nan 8.290 nan 0.000 0.486 255 G N -0.981 107.897 108.800 0.130 0.000 3.519 255 G HA2 0.393 4.353 3.960 -0.000 0.000 0.269 255 G HA3 0.393 4.353 3.960 -0.000 0.000 0.269 255 G C 0.002 175.040 174.900 0.230 0.000 1.028 255 G CA 0.879 46.111 45.100 0.221 0.000 0.809 255 G HN 0.592 nan 8.290 nan 0.000 0.521 256 D N 1.543 122.024 120.400 0.134 0.000 2.517 256 D HA 0.092 4.732 4.640 -0.000 0.000 0.220 256 D C 1.238 177.605 176.300 0.112 0.000 1.158 256 D CA -0.356 53.700 54.000 0.093 0.000 0.992 256 D CB 0.373 41.209 40.800 0.060 0.000 1.058 256 D HN 0.071 nan 8.370 nan 0.000 0.516 257 L N 2.920 124.234 121.223 0.152 0.000 2.599 257 L HA 0.022 4.362 4.340 -0.000 0.000 0.230 257 L C 1.754 178.714 176.870 0.149 0.000 1.141 257 L CA 0.608 55.551 54.840 0.172 0.000 0.877 257 L CB 0.159 42.400 42.059 0.303 0.000 1.009 257 L HN 0.207 nan 8.230 nan 0.000 0.447 258 K N -0.609 119.861 120.400 0.117 0.000 2.284 258 K HA 0.076 4.396 4.320 -0.000 0.000 0.198 258 K C 1.908 178.564 176.600 0.093 0.000 1.048 258 K CA 0.797 57.178 56.287 0.158 0.000 0.987 258 K CB 0.279 32.849 32.500 0.117 0.000 0.800 258 K HN 0.245 nan 8.250 nan 0.000 0.486 259 A N 0.465 123.316 122.820 0.051 0.000 1.970 259 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 259 A C 2.024 179.620 177.584 0.020 0.000 1.170 259 A CA 0.796 52.830 52.037 -0.005 0.000 0.645 259 A CB -0.286 18.723 19.000 0.014 0.000 0.816 259 A HN 0.113 nan 8.150 nan 0.000 0.447 260 V N -1.026 118.940 119.914 0.087 0.000 2.295 260 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 260 V C 2.260 178.482 176.094 0.214 0.000 1.049 260 V CA 2.142 64.521 62.300 0.132 0.000 1.024 260 V CB -0.859 31.035 31.823 0.118 0.000 0.648 260 V HN 0.640 nan 8.190 nan 0.000 0.447 261 F N 0.694 120.660 119.950 0.026 0.000 2.234 261 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 261 F C 2.605 178.431 175.800 0.043 0.000 1.087 261 F CA 1.408 59.444 58.000 0.060 0.000 1.340 261 F CB -0.722 38.308 39.000 0.050 0.000 1.031 261 F HN 0.092 nan 8.300 nan 0.000 0.500 262 S N 0.640 116.187 115.700 -0.255 0.000 2.354 262 S HA -0.264 4.206 4.470 -0.000 0.000 0.219 262 S C 2.421 176.818 174.600 -0.339 0.000 1.035 262 S CA 1.675 59.427 58.200 -0.746 0.000 1.037 262 S CB -0.512 62.200 63.200 -0.813 0.000 0.956 262 S HN 0.529 nan 8.310 nan 0.000 0.428 263 R N -0.590 119.815 120.500 -0.158 0.000 2.189 263 R HA -0.089 4.251 4.340 -0.000 0.000 0.223 263 R C 2.112 178.375 176.300 -0.062 0.000 1.092 263 R CA 1.333 57.362 56.100 -0.119 0.000 0.989 263 R CB -0.586 29.675 30.300 -0.064 0.000 0.876 263 R HN 0.534 nan 8.270 nan 0.000 0.457 264 F N 1.419 121.350 119.950 -0.031 0.000 2.075 264 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 264 F C 2.290 178.103 175.800 0.022 0.000 1.113 264 F CA 1.804 59.862 58.000 0.097 0.000 1.218 264 F CB -0.533 38.603 39.000 0.227 0.000 0.984 264 F HN 0.106 nan 8.300 nan 0.000 0.472 265 A N 0.869 123.706 122.820 0.028 0.000 1.865 265 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 265 A C 2.421 179.905 177.584 -0.167 0.000 1.191 265 A CA 1.887 53.870 52.037 -0.090 0.000 0.623 265 A CB -1.013 17.903 19.000 -0.141 0.000 0.826 265 A HN 0.459 nan 8.150 nan 0.000 0.444 266 R N -1.118 119.276 120.500 -0.175 0.000 2.103 266 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 266 R C 2.433 178.576 176.300 -0.262 0.000 1.132 266 R CA 1.819 57.803 56.100 -0.193 0.000 0.925 266 R CB -0.943 29.233 30.300 -0.206 0.000 0.842 266 R HN 0.537 nan 8.270 nan 0.000 0.430 267 G N 1.039 109.583 108.800 -0.427 0.000 2.440 267 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 267 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 267 G C 1.332 176.164 174.900 -0.113 0.000 1.154 267 G CA 0.712 45.477 45.100 -0.558 0.000 0.767 267 G HN 0.280 nan 8.290 nan 0.000 0.552 268 L N 0.461 121.553 121.223 -0.219 0.000 2.027 268 L HA 0.107 4.447 4.340 -0.000 0.000 0.206 268 L C 2.747 179.527 176.870 -0.150 0.000 1.074 268 L CA 1.393 56.090 54.840 -0.239 0.000 0.745 268 L CB -0.652 41.102 42.059 -0.508 0.000 0.898 268 L HN 0.222 nan 8.230 nan 0.000 0.433 269 L N -0.436 120.705 121.223 -0.137 0.000 1.990 269 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 269 L C 2.711 179.535 176.870 -0.077 0.000 1.072 269 L CA 1.533 56.321 54.840 -0.086 0.000 0.755 269 L CB -0.904 41.111 42.059 -0.073 0.000 0.889 269 L HN 0.300 nan 8.230 nan 0.000 0.432 270 E N -0.131 120.018 120.200 -0.085 0.000 2.070 270 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 270 E C 2.376 178.938 176.600 -0.063 0.000 1.004 270 E CA 1.431 57.790 56.400 -0.069 0.000 0.805 270 E CB -0.479 29.175 29.700 -0.076 0.000 0.744 270 E HN 0.307 nan 8.360 nan 0.000 0.451 271 V N 1.610 121.490 119.914 -0.056 0.000 2.295 271 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 271 V C 2.222 178.261 176.094 -0.093 0.000 1.049 271 V CA 1.928 64.179 62.300 -0.083 0.000 1.024 271 V CB -0.463 31.316 31.823 -0.074 0.000 0.648 271 V HN 0.277 nan 8.190 nan 0.000 0.447 272 E N -0.126 120.021 120.200 -0.090 0.000 2.077 272 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 272 E C 2.438 179.007 176.600 -0.052 0.000 0.989 272 E CA 1.366 57.719 56.400 -0.078 0.000 0.800 272 E CB -0.259 29.395 29.700 -0.077 0.000 0.746 272 E HN 0.482 nan 8.360 nan 0.000 0.452 273 R N 1.099 121.568 120.500 -0.050 0.000 2.092 273 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 273 R C 2.200 178.475 176.300 -0.041 0.000 1.119 273 R CA 0.856 56.932 56.100 -0.040 0.000 0.970 273 R CB -0.125 30.151 30.300 -0.040 0.000 0.864 273 R HN 0.182 nan 8.270 nan 0.000 0.440 274 L N 0.223 121.414 121.223 -0.053 0.000 2.217 274 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 274 L C 2.541 179.384 176.870 -0.045 0.000 1.107 274 L CA 0.548 55.355 54.840 -0.056 0.000 0.783 274 L CB -0.154 41.856 42.059 -0.081 0.000 0.919 274 L HN 0.256 nan 8.230 nan 0.000 0.442 275 M N -0.493 119.080 119.600 -0.044 0.000 2.123 275 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 275 M C 2.225 178.543 176.300 0.030 0.000 1.069 275 M CA 1.596 56.893 55.300 -0.005 0.000 1.133 275 M CB -0.716 31.869 32.600 -0.026 0.000 1.356 275 M HN 0.103 nan 8.290 nan 0.000 0.415 276 K N 0.251 120.649 120.400 -0.004 0.000 2.209 276 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 276 K C 1.561 178.139 176.600 -0.036 0.000 1.048 276 K CA 1.032 57.310 56.287 -0.016 0.000 0.940 276 K CB 0.002 32.489 32.500 -0.021 0.000 0.729 276 K HN 0.296 nan 8.250 nan 0.000 0.451 277 E N -0.700 119.482 120.200 -0.030 0.000 2.494 277 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 277 E C 0.131 176.709 176.600 -0.038 0.000 1.074 277 E CA 0.116 56.494 56.400 -0.036 0.000 0.867 277 E CB 0.210 29.892 29.700 -0.031 0.000 0.924 277 E HN 0.279 nan 8.360 nan 0.000 0.502 278 C N -1.011 118.271 119.300 -0.031 0.000 3.491 278 C HA 0.434 4.894 4.460 -0.000 0.000 0.298 278 C C 1.337 176.134 174.990 -0.322 0.000 1.424 278 C CA 0.125 59.127 59.018 -0.027 0.000 1.772 278 C CB 0.109 27.941 27.740 0.152 0.000 2.447 278 C HN 0.643 nan 8.230 nan 0.000 0.670 279 G N 0.800 109.389 108.800 -0.351 0.000 2.195 279 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.224 279 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.224 279 G C -0.379 174.197 174.900 -0.541 0.000 0.990 279 G CA 0.030 44.835 45.100 -0.490 0.000 0.639 279 G HN 0.656 nan 8.290 nan 0.000 0.514 280 H N 0.248 119.296 119.070 -0.037 0.000 2.505 280 H HA 0.639 5.195 4.556 -0.000 0.000 0.338 280 H C 0.738 176.050 175.328 -0.028 0.000 1.057 280 H CA -0.033 55.994 56.048 -0.035 0.000 1.202 280 H CB 1.620 31.352 29.762 -0.050 0.000 1.466 280 H HN 0.454 nan 8.280 nan 0.000 0.499 281 G N 1.628 110.478 108.800 0.083 0.000 2.522 281 G HA2 0.518 4.478 3.960 -0.000 0.000 0.304 281 G HA3 0.518 4.478 3.960 -0.000 0.000 0.304 281 G C -0.829 174.119 174.900 0.080 0.000 1.210 281 G CA -0.927 44.209 45.100 0.060 0.000 0.960 281 G HN 0.496 nan 8.290 nan 0.000 0.497 282 L N 0.638 121.925 121.223 0.107 0.000 2.296 282 L HA 0.363 4.703 4.340 -0.000 0.000 0.286 282 L C 0.616 177.625 176.870 0.232 0.000 1.023 282 L CA -0.541 54.391 54.840 0.153 0.000 0.812 282 L CB 1.921 44.057 42.059 0.127 0.000 1.223 282 L HN 0.493 nan 8.230 nan 0.000 0.421 283 M N 3.871 123.577 119.600 0.176 0.000 2.323 283 M HA -0.099 4.381 4.480 -0.000 0.000 0.386 283 M C -0.791 175.616 176.300 0.179 0.000 1.525 283 M CA 1.027 56.401 55.300 0.123 0.000 0.914 283 M CB -0.230 32.406 32.600 0.061 0.000 2.042 283 M HN 0.525 nan 8.290 nan 0.000 0.483 284 H N 3.210 122.236 119.070 -0.075 0.000 2.966 284 H HA 0.404 4.960 4.556 -0.000 0.000 0.347 284 H C -1.409 173.788 175.328 -0.218 0.000 1.048 284 H CA -0.819 55.096 56.048 -0.221 0.000 1.295 284 H CB 1.048 30.618 29.762 -0.321 0.000 1.744 284 H HN 0.745 nan 8.280 nan 0.000 0.513 285 N N 2.368 120.694 118.700 -0.624 0.000 2.487 285 N HA 0.107 4.847 4.740 -0.000 0.000 0.292 285 N C 0.448 175.641 175.510 -0.529 0.000 1.108 285 N CA -0.298 52.479 53.050 -0.455 0.000 0.956 285 N CB 1.572 39.808 38.487 -0.418 0.000 1.176 285 N HN 0.757 nan 8.380 nan 0.000 0.484 286 D N 0.655 120.920 120.400 -0.225 0.000 2.289 286 D HA 0.064 4.704 4.640 -0.000 0.000 0.207 286 D C 1.491 177.745 176.300 -0.077 0.000 0.966 286 D CA 1.013 54.948 54.000 -0.108 0.000 0.868 286 D CB 0.369 41.160 40.800 -0.014 0.000 0.943 286 D HN 0.442 nan 8.370 nan 0.000 0.514 287 R N -0.616 119.835 120.500 -0.082 0.000 2.103 287 R HA 0.208 4.548 4.340 -0.000 0.000 0.212 287 R C 1.154 177.430 176.300 -0.039 0.000 1.107 287 R CA 0.367 56.476 56.100 0.015 0.000 1.025 287 R CB 0.228 30.574 30.300 0.077 0.000 0.929 287 R HN 0.199 nan 8.270 nan 0.000 0.456 288 L N 0.858 121.934 121.223 -0.246 0.000 2.791 288 L HA 0.337 4.677 4.340 -0.000 0.000 0.239 288 L C 0.899 177.426 176.870 -0.571 0.000 1.203 288 L CA -0.051 54.544 54.840 -0.409 0.000 1.002 288 L CB 0.286 42.037 42.059 -0.513 0.000 1.295 288 L HN 0.367 nan 8.230 nan 0.000 0.504 289 G N 0.174 108.597 108.800 -0.627 0.000 2.574 289 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.282 289 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.282 289 G C -0.380 174.033 174.900 -0.811 0.000 1.257 289 G CA -0.107 44.513 45.100 -0.800 0.000 0.956 289 G HN 0.176 nan 8.290 nan 0.000 0.560 290 Y N 0.192 120.298 120.300 -0.324 0.000 2.411 290 Y HA 0.533 5.083 4.550 -0.000 0.000 0.333 290 Y C 1.369 177.123 175.900 -0.243 0.000 1.186 290 Y CA 0.127 58.130 58.100 -0.162 0.000 1.381 290 Y CB 0.512 38.955 38.460 -0.029 0.000 1.273 290 Y HN 0.469 nan 8.280 nan 0.000 0.546 291 I N 2.204 122.747 120.570 -0.046 0.000 2.525 291 I HA 0.502 4.672 4.170 -0.000 0.000 0.301 291 I C -0.497 175.580 176.117 -0.066 0.000 0.992 291 I CA -0.404 60.799 61.300 -0.161 0.000 1.162 291 I CB 1.482 39.294 38.000 -0.313 0.000 1.332 291 I HN 0.542 nan 8.210 nan 0.000 0.458 292 C N 1.493 120.773 119.300 -0.035 0.000 3.318 292 C HA 0.288 4.748 4.460 -0.000 0.000 0.329 292 C C 1.785 176.856 174.990 0.136 0.000 1.449 292 C CA -0.264 58.766 59.018 0.020 0.000 1.397 292 C CB 1.912 29.664 27.740 0.021 0.000 1.810 292 C HN 0.895 nan 8.230 nan 0.000 0.449 293 T N -0.056 114.544 114.554 0.077 0.000 2.652 293 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 293 T C 0.769 175.538 174.700 0.116 0.000 1.039 293 T CA 1.512 63.675 62.100 0.105 0.000 1.153 293 T CB -0.124 68.757 68.868 0.021 0.000 0.863 293 T HN 0.799 nan 8.240 nan 0.000 0.428 294 C N 2.718 122.063 119.300 0.074 0.000 2.463 294 C HA 0.343 4.803 4.460 -0.000 0.000 0.380 294 C C -1.466 173.572 174.990 0.081 0.000 1.264 294 C CA -2.073 56.963 59.018 0.030 0.000 2.161 294 C CB 0.809 28.555 27.740 0.010 0.000 2.515 294 C HN 0.309 nan 8.230 nan 0.000 0.565 295 P HA -0.026 nan 4.420 nan 0.000 0.239 295 P C 1.210 178.617 177.300 0.179 0.000 1.184 295 P CA 1.337 64.518 63.100 0.135 0.000 0.760 295 P CB -0.043 31.707 31.700 0.084 0.000 0.884 296 T N -6.114 108.490 114.554 0.083 0.000 3.057 296 T HA 0.086 4.436 4.350 -0.000 0.000 0.254 296 T C 1.068 175.847 174.700 0.131 0.000 1.094 296 T CA 0.234 62.371 62.100 0.061 0.000 1.088 296 T CB -0.498 68.251 68.868 -0.197 0.000 0.934 296 T HN -0.070 nan 8.240 nan 0.000 0.497 297 N N 1.513 120.257 118.700 0.075 0.000 2.994 297 N HA 0.425 5.165 4.740 -0.000 0.000 0.306 297 N C -0.648 174.853 175.510 -0.015 0.000 1.348 297 N CA 0.079 53.145 53.050 0.026 0.000 1.109 297 N CB 0.117 38.620 38.487 0.027 0.000 1.415 297 N HN 0.540 nan 8.380 nan 0.000 0.529 298 M N -1.798 117.746 119.600 -0.093 0.000 2.796 298 M HA 0.450 4.930 4.480 -0.000 0.000 0.303 298 M C 1.251 177.311 176.300 -0.400 0.000 1.240 298 M CA -0.520 54.634 55.300 -0.243 0.000 0.831 298 M CB 2.119 34.547 32.600 -0.286 0.000 1.750 298 M HN 0.308 nan 8.290 nan 0.000 0.484 299 G N 0.315 108.772 108.800 -0.572 0.000 4.610 299 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.323 299 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.323 299 G C 0.782 175.272 174.900 -0.684 0.000 1.377 299 G CA 1.162 45.606 45.100 -1.092 0.000 1.023 299 G HN 0.840 nan 8.290 nan 0.000 0.755 300 T N -1.725 112.681 114.554 -0.246 0.000 3.034 300 T HA 0.390 4.740 4.350 -0.000 0.000 0.248 300 T C 1.551 176.282 174.700 0.052 0.000 1.040 300 T CA 1.479 63.612 62.100 0.055 0.000 1.107 300 T CB 0.334 69.300 68.868 0.163 0.000 0.932 300 T HN 2.005 nan 8.240 nan 0.000 0.474 301 V N 0.364 120.268 119.914 -0.018 0.000 4.349 301 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 301 V C 0.319 176.424 176.094 0.018 0.000 0.442 301 V CA 0.410 62.708 62.300 -0.003 0.000 0.865 301 V CB -2.941 28.887 31.823 0.009 0.000 0.887 301 V HN 0.533 nan 8.190 nan 0.000 1.302 302 V N 0.821 120.743 119.914 0.013 0.000 2.465 302 V HA 0.480 4.600 4.120 -0.000 0.000 0.279 302 V C 0.672 176.725 176.094 -0.068 0.000 1.045 302 V CA -0.090 62.194 62.300 -0.026 0.000 0.938 302 V CB 1.686 33.484 31.823 -0.041 0.000 0.986 302 V HN 0.540 nan 8.190 nan 0.000 0.467 303 R N 3.859 124.298 120.500 -0.101 0.000 2.443 303 R HA 0.614 4.954 4.340 -0.000 0.000 0.287 303 R C -0.096 176.120 176.300 -0.139 0.000 1.425 303 R CA -0.323 55.718 56.100 -0.099 0.000 1.300 303 R CB 0.907 31.164 30.300 -0.073 0.000 1.129 303 R HN 0.853 nan 8.270 nan 0.000 0.577 304 A N 1.941 124.665 122.820 -0.160 0.000 2.386 304 A HA 0.513 4.833 4.320 -0.000 0.000 0.248 304 A C -0.292 177.235 177.584 -0.094 0.000 1.082 304 A CA -0.029 51.908 52.037 -0.166 0.000 0.789 304 A CB 0.595 19.480 19.000 -0.191 0.000 1.025 304 A HN 0.778 nan 8.150 nan 0.000 0.490 305 S N -0.545 115.106 115.700 -0.082 0.000 2.565 305 S HA 0.672 5.142 4.470 -0.000 0.000 0.269 305 S C -0.782 173.782 174.600 -0.060 0.000 1.153 305 S CA -0.069 58.100 58.200 -0.050 0.000 0.835 305 S CB 0.952 64.132 63.200 -0.033 0.000 1.122 305 S HN 2.137 nan 8.310 nan 0.000 0.462 306 V N -1.041 118.847 119.914 -0.044 0.000 2.876 306 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 306 V C -0.812 175.326 176.094 0.073 0.000 1.085 306 V CA -0.842 61.423 62.300 -0.057 0.000 0.945 306 V CB 1.397 33.117 31.823 -0.171 0.000 1.017 306 V HN 1.082 nan 8.190 nan 0.000 0.428 307 H N 3.996 123.022 119.070 -0.074 0.000 2.911 307 H HA 0.444 5.000 4.556 -0.000 0.000 0.273 307 H C -0.636 174.676 175.328 -0.027 0.000 1.157 307 H CA -0.400 55.617 56.048 -0.052 0.000 1.402 307 H CB 1.104 30.809 29.762 -0.095 0.000 1.463 307 H HN 0.497 nan 8.280 nan 0.000 0.475 308 L N 4.861 126.152 121.223 0.113 0.000 2.298 308 L HA 0.323 4.663 4.340 -0.000 0.000 0.284 308 L C -0.047 176.902 176.870 0.132 0.000 1.013 308 L CA -0.818 54.072 54.840 0.082 0.000 0.824 308 L CB 1.121 43.200 42.059 0.033 0.000 1.221 308 L HN 0.562 nan 8.230 nan 0.000 0.418 309 R N 5.601 126.169 120.500 0.113 0.000 2.265 309 R HA 0.476 4.816 4.340 -0.000 0.000 0.314 309 R C -1.373 174.992 176.300 0.109 0.000 1.053 309 R CA -0.259 55.897 56.100 0.093 0.000 0.931 309 R CB 0.562 30.870 30.300 0.013 0.000 1.024 309 R HN 0.687 nan 8.270 nan 0.000 0.457 310 L N 5.277 126.563 121.223 0.104 0.000 2.529 310 L HA 0.381 4.721 4.340 -0.000 0.000 0.246 310 L C 0.585 177.441 176.870 -0.023 0.000 1.394 310 L CA -0.466 54.384 54.840 0.017 0.000 0.906 310 L CB 1.580 43.525 42.059 -0.189 0.000 1.170 310 L HN 0.879 nan 8.230 nan 0.000 0.501 311 A N 0.155 122.965 122.820 -0.017 0.000 2.235 311 A HA 0.113 4.433 4.320 -0.000 0.000 0.208 311 A C 1.337 178.657 177.584 -0.441 0.000 1.172 311 A CA 1.178 53.089 52.037 -0.209 0.000 0.786 311 A CB -0.234 18.587 19.000 -0.299 0.000 0.804 311 A HN 0.577 nan 8.150 nan 0.000 0.479 312 F N -2.425 117.484 119.950 -0.067 0.000 2.640 312 F HA 0.281 4.808 4.527 -0.000 0.000 0.285 312 F C 1.661 177.405 175.800 -0.092 0.000 1.031 312 F CA -0.031 57.937 58.000 -0.054 0.000 1.240 312 F CB 0.051 39.037 39.000 -0.024 0.000 1.011 312 F HN 0.118 nan 8.300 nan 0.000 0.656 313 L N 1.035 122.239 121.223 -0.030 0.000 2.240 313 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 313 L C 2.367 178.946 176.870 -0.484 0.000 1.106 313 L CA 1.259 55.953 54.840 -0.242 0.000 0.793 313 L CB -0.293 41.521 42.059 -0.408 0.000 0.927 313 L HN 0.293 nan 8.230 nan 0.000 0.446 314 E N -0.212 119.674 120.200 -0.524 0.000 2.204 314 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 314 E C 1.682 178.272 176.600 -0.016 0.000 0.989 314 E CA 1.053 57.205 56.400 -0.414 0.000 0.824 314 E CB 0.007 29.632 29.700 -0.125 0.000 0.756 314 E HN 0.274 nan 8.360 nan 0.000 0.477 315 K N 0.307 120.701 120.400 -0.011 0.000 2.366 315 K HA 0.034 4.354 4.320 -0.000 0.000 0.198 315 K C 0.751 177.402 176.600 0.084 0.000 1.044 315 K CA 0.330 56.644 56.287 0.044 0.000 0.973 315 K CB -0.103 32.404 32.500 0.012 0.000 0.767 315 K HN 0.230 nan 8.250 nan 0.000 0.475 316 H N 1.501 120.580 119.070 0.015 0.000 2.764 316 H HA 0.020 4.576 4.556 -0.000 0.000 0.341 316 H C -1.690 173.694 175.328 0.093 0.000 1.072 316 H CA -1.621 54.454 56.048 0.045 0.000 1.444 316 H CB 1.238 31.017 29.762 0.027 0.000 1.458 316 H HN -0.062 nan 8.280 nan 0.000 0.572 317 P HA -0.145 nan 4.420 nan 0.000 0.216 317 P C 0.598 178.044 177.300 0.243 0.000 1.153 317 P CA 1.414 64.580 63.100 0.111 0.000 0.858 317 P CB 0.289 31.967 31.700 -0.037 0.000 0.789 318 R N -1.998 118.774 120.500 0.454 0.000 2.356 318 R HA 0.122 4.462 4.340 -0.000 0.000 0.234 318 R C 1.866 178.266 176.300 0.167 0.000 0.929 318 R CA -0.313 55.924 56.100 0.229 0.000 1.084 318 R CB -0.649 29.760 30.300 0.182 0.000 1.105 318 R HN 0.109 nan 8.270 nan 0.000 0.515 319 F N 2.345 122.320 119.950 0.041 0.000 2.095 319 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 319 F C 1.483 177.229 175.800 -0.091 0.000 1.104 319 F CA 1.558 59.520 58.000 -0.062 0.000 1.232 319 F CB -0.116 38.846 39.000 -0.062 0.000 0.987 319 F HN -0.033 nan 8.300 nan 0.000 0.475 320 D N 0.165 120.371 120.400 -0.323 0.000 2.178 320 D HA -0.197 4.443 4.640 -0.000 0.000 0.201 320 D C 2.234 178.391 176.300 -0.239 0.000 0.980 320 D CA 1.374 55.127 54.000 -0.412 0.000 0.842 320 D CB -0.353 40.299 40.800 -0.246 0.000 0.948 320 D HN 0.585 nan 8.370 nan 0.000 0.472 321 E N 0.139 120.268 120.200 -0.119 0.000 2.072 321 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 321 E C 2.124 178.677 176.600 -0.080 0.000 0.982 321 E CA 0.382 56.734 56.400 -0.079 0.000 0.803 321 E CB -0.030 29.654 29.700 -0.027 0.000 0.755 321 E HN 0.158 nan 8.360 nan 0.000 0.453 322 M N 0.593 120.157 119.600 -0.061 0.000 2.086 322 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 322 M C 2.246 178.502 176.300 -0.074 0.000 1.067 322 M CA 1.365 56.640 55.300 -0.043 0.000 1.116 322 M CB -0.057 32.547 32.600 0.007 0.000 1.348 322 M HN 0.205 nan 8.290 nan 0.000 0.407 323 L N -0.640 120.496 121.223 -0.145 0.000 2.043 323 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 323 L C 2.547 179.329 176.870 -0.147 0.000 1.075 323 L CA 1.497 56.233 54.840 -0.174 0.000 0.752 323 L CB -1.526 40.328 42.059 -0.342 0.000 0.891 323 L HN 0.494 nan 8.230 nan 0.000 0.432 324 G N 0.169 108.869 108.800 -0.165 0.000 2.453 324 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 324 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 324 G C 1.664 176.489 174.900 -0.125 0.000 1.201 324 G CA 0.607 45.602 45.100 -0.173 0.000 0.784 324 G HN 0.299 nan 8.290 nan 0.000 0.545 325 K N -0.029 120.321 120.400 -0.084 0.000 2.147 325 K HA 0.138 4.458 4.320 -0.000 0.000 0.205 325 K C 2.390 178.972 176.600 -0.030 0.000 1.049 325 K CA 0.448 56.704 56.287 -0.051 0.000 0.936 325 K CB -0.231 32.245 32.500 -0.039 0.000 0.722 325 K HN 0.231 nan 8.250 nan 0.000 0.446 326 L N 0.553 121.757 121.223 -0.031 0.000 2.362 326 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 326 L C 0.089 176.966 176.870 0.012 0.000 1.134 326 L CA 0.302 55.139 54.840 -0.006 0.000 0.807 326 L CB -0.192 41.863 42.059 -0.006 0.000 0.927 326 L HN 0.224 nan 8.230 nan 0.000 0.447 327 R N 0.174 120.668 120.500 -0.010 0.000 3.418 327 R HA -0.126 4.214 4.340 -0.000 0.000 0.274 327 R C -0.841 175.518 176.300 0.098 0.000 1.108 327 R CA 0.593 56.705 56.100 0.020 0.000 0.741 327 R CB -2.613 27.733 30.300 0.078 0.000 1.223 327 R HN 0.316 nan 8.270 nan 0.000 0.434 328 L N -0.524 120.737 121.223 0.063 0.000 2.334 328 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 328 L C 1.424 178.392 176.870 0.164 0.000 1.014 328 L CA -0.665 54.241 54.840 0.110 0.000 0.815 328 L CB 1.935 44.020 42.059 0.044 0.000 1.268 328 L HN 0.166 nan 8.230 nan 0.000 0.428 329 G N 1.269 110.230 108.800 0.269 0.000 2.562 329 G HA2 0.405 4.365 3.960 -0.000 0.000 0.275 329 G HA3 0.405 4.365 3.960 -0.000 0.000 0.275 329 G C -1.031 173.960 174.900 0.152 0.000 1.196 329 G CA -0.343 44.962 45.100 0.342 0.000 0.908 329 G HN 0.590 nan 8.290 nan 0.000 0.524 330 K N 0.071 120.560 120.400 0.148 0.000 2.507 330 K HA 0.528 4.848 4.320 -0.000 0.000 0.251 330 K C -0.607 176.113 176.600 0.199 0.000 0.943 330 K CA -0.704 55.622 56.287 0.064 0.000 0.794 330 K CB 1.456 33.860 32.500 -0.160 0.000 1.188 330 K HN 0.632 nan 8.250 nan 0.000 0.428 331 R N 1.433 122.087 120.500 0.257 0.000 2.799 331 R HA 0.422 4.762 4.340 -0.000 0.000 0.270 331 R C -0.178 176.327 176.300 0.342 0.000 1.010 331 R CA -1.167 55.143 56.100 0.351 0.000 0.916 331 R CB 1.641 32.054 30.300 0.188 0.000 1.228 331 R HN 0.720 nan 8.270 nan 0.000 0.469 332 G N -0.425 108.510 108.800 0.225 0.000 2.616 332 G HA2 0.128 4.088 3.960 -0.000 0.000 0.268 332 G HA3 0.128 4.088 3.960 -0.000 0.000 0.268 332 G C 0.534 175.396 174.900 -0.063 0.000 1.213 332 G CA -0.328 44.797 45.100 0.042 0.000 0.926 332 G HN 0.465 nan 8.290 nan 0.000 0.523 333 T N 0.220 114.676 114.554 -0.163 0.000 2.788 333 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 333 T C 2.062 176.751 174.700 -0.018 0.000 1.044 333 T CA 1.561 63.507 62.100 -0.256 0.000 1.139 333 T CB -0.177 68.551 68.868 -0.234 0.000 0.867 333 T HN 0.596 nan 8.240 nan 0.000 0.454 334 G N 0.234 109.039 108.800 0.008 0.000 3.518 334 G HA2 0.506 4.466 3.960 -0.000 0.000 0.273 334 G HA3 0.506 4.466 3.960 -0.000 0.000 0.273 334 G C 0.564 175.488 174.900 0.040 0.000 1.199 334 G CA 0.096 45.239 45.100 0.072 0.000 0.899 334 G HN 0.762 nan 8.290 nan 0.000 0.533 335 G N -0.181 108.651 108.800 0.054 0.000 2.655 335 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.680 335 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.680 335 G C 0.484 175.356 174.900 -0.048 0.000 1.302 335 G CA 0.175 45.304 45.100 0.049 0.000 0.872 335 G HN 0.235 nan 8.290 nan 0.000 0.540 336 E N -0.337 119.856 120.200 -0.013 0.000 2.164 336 E HA -0.232 4.118 4.350 -0.000 0.000 0.206 336 E C 2.041 178.513 176.600 -0.213 0.000 1.032 336 E CA 2.167 58.546 56.400 -0.035 0.000 0.832 336 E CB -0.238 29.471 29.700 0.015 0.000 0.742 336 E HN 1.112 nan 8.360 nan 0.000 0.460 337 S N -0.020 115.463 115.700 -0.361 0.000 2.979 337 S HA 0.312 4.782 4.470 -0.000 0.000 0.210 337 S C -0.414 173.435 174.600 -1.252 0.000 1.364 337 S CA -0.191 57.474 58.200 -0.891 0.000 1.208 337 S CB 0.553 63.556 63.200 -0.328 0.000 1.167 337 S HN 0.241 nan 8.310 nan 0.000 0.519 338 S N 0.827 115.884 115.700 -1.071 0.000 2.596 338 S HA 0.749 5.219 4.470 -0.000 0.000 0.270 338 S C -0.870 173.451 174.600 -0.464 0.000 1.155 338 S CA -1.055 56.740 58.200 -0.675 0.000 0.827 338 S CB 0.774 63.789 63.200 -0.309 0.000 1.130 338 S HN 0.389 nan 8.310 nan 0.000 0.467 339 L N 1.286 122.354 121.223 -0.259 0.000 2.365 339 L HA 0.802 5.142 4.340 -0.000 0.000 0.267 339 L C 0.907 177.700 176.870 -0.127 0.000 1.033 339 L CA -1.167 53.542 54.840 -0.218 0.000 0.802 339 L CB 1.098 43.077 42.059 -0.134 0.000 1.267 339 L HN 1.009 nan 8.230 nan 0.000 0.457 340 A N 0.490 123.253 122.820 -0.094 0.000 2.483 340 A HA 0.452 4.772 4.320 -0.000 0.000 0.238 340 A C 0.104 177.550 177.584 -0.230 0.000 1.070 340 A CA 0.076 51.905 52.037 -0.346 0.000 0.770 340 A CB -0.105 18.277 19.000 -1.031 0.000 1.008 340 A HN 0.718 nan 8.150 nan 0.000 0.497 341 T N -1.151 113.271 114.554 -0.219 0.000 2.876 341 T HA 0.516 4.866 4.350 -0.000 0.000 0.289 341 T C -0.172 174.451 174.700 -0.129 0.000 1.014 341 T CA 0.166 62.185 62.100 -0.136 0.000 0.986 341 T CB 1.509 70.320 68.868 -0.096 0.000 1.021 341 T HN 0.873 nan 8.240 nan 0.000 0.458 342 D N 1.218 121.566 120.400 -0.086 0.000 2.882 342 D HA -0.236 4.404 4.640 -0.000 0.000 0.229 342 D C 0.304 176.567 176.300 -0.061 0.000 1.167 342 D CA 1.605 55.565 54.000 -0.067 0.000 0.759 342 D CB -1.660 39.106 40.800 -0.056 0.000 1.088 342 D HN 1.018 nan 8.370 nan 0.000 0.425 343 S N -2.071 113.592 115.700 -0.062 0.000 3.695 343 S HA -0.162 4.308 4.470 -0.000 0.000 0.310 343 S C 0.031 174.687 174.600 0.093 0.000 1.166 343 S CA 0.932 59.157 58.200 0.042 0.000 0.882 343 S CB -1.439 61.771 63.200 0.016 0.000 0.949 343 S HN 0.539 nan 8.310 nan 0.000 0.540 344 T N 1.730 116.218 114.554 -0.110 0.000 2.809 344 T HA 0.609 4.959 4.350 -0.000 0.000 0.284 344 T C -0.934 173.645 174.700 -0.202 0.000 0.992 344 T CA -0.312 61.755 62.100 -0.055 0.000 0.957 344 T CB 0.755 69.547 68.868 -0.126 0.000 0.942 344 T HN 0.191 nan 8.240 nan 0.000 0.439 345 Y N 1.190 121.472 120.300 -0.030 0.000 2.350 345 Y HA 0.346 4.896 4.550 -0.000 0.000 0.338 345 Y C 0.325 176.226 175.900 0.002 0.000 0.961 345 Y CA -1.729 56.373 58.100 0.005 0.000 1.100 345 Y CB 1.042 39.541 38.460 0.063 0.000 1.179 345 Y HN 0.532 nan 8.280 nan 0.000 0.454 346 D N 3.976 124.453 120.400 0.129 0.000 2.356 346 D HA 0.043 4.683 4.640 -0.000 0.000 0.272 346 D C -0.510 175.892 176.300 0.170 0.000 1.337 346 D CA 0.479 54.596 54.000 0.195 0.000 0.970 346 D CB 0.181 41.090 40.800 0.182 0.000 1.092 346 D HN 0.279 nan 8.370 nan 0.000 0.516 347 I N 2.552 123.201 120.570 0.132 0.000 2.525 347 I HA 0.381 4.551 4.170 -0.000 0.000 0.301 347 I C 0.468 176.615 176.117 0.049 0.000 0.992 347 I CA -0.528 60.822 61.300 0.083 0.000 1.162 347 I CB 1.209 39.241 38.000 0.054 0.000 1.332 347 I HN 0.492 nan 8.210 nan 0.000 0.458 348 S N 3.825 119.555 115.700 0.050 0.000 2.578 348 S HA 0.343 4.813 4.470 -0.000 0.000 0.272 348 S C -1.052 173.583 174.600 0.057 0.000 1.145 348 S CA -1.175 57.043 58.200 0.031 0.000 0.835 348 S CB 1.597 64.808 63.200 0.018 0.000 1.104 348 S HN 0.635 nan 8.310 nan 0.000 0.458 349 N N 1.697 120.419 118.700 0.036 0.000 2.454 349 N HA -0.065 4.675 4.740 -0.000 0.000 0.260 349 N C 0.591 176.170 175.510 0.114 0.000 1.218 349 N CA -0.481 52.615 53.050 0.076 0.000 0.904 349 N CB 0.503 39.012 38.487 0.037 0.000 1.065 349 N HN 0.920 nan 8.380 nan 0.000 0.462 350 W N 2.590 123.887 121.300 -0.007 0.000 2.441 350 W HA 0.130 4.790 4.660 -0.000 0.000 0.302 350 W C -0.052 176.469 176.519 0.003 0.000 1.191 350 W CA 0.945 58.280 57.345 -0.017 0.000 1.327 350 W CB -0.025 29.409 29.460 -0.044 0.000 1.128 350 W HN 0.600 nan 8.180 nan 0.000 0.522 351 A N 1.560 124.545 122.820 0.275 0.000 2.340 351 A HA 0.390 4.710 4.320 -0.000 0.000 0.268 351 A C 0.846 178.557 177.584 0.212 0.000 1.100 351 A CA -0.190 52.032 52.037 0.309 0.000 0.803 351 A CB 0.575 19.774 19.000 0.331 0.000 1.043 351 A HN 0.371 nan 8.150 nan 0.000 0.488 352 R N 0.995 121.645 120.500 0.251 0.000 2.556 352 R HA 0.292 4.632 4.340 -0.000 0.000 0.276 352 R C -0.381 175.833 176.300 -0.143 0.000 0.931 352 R CA -0.166 55.946 56.100 0.021 0.000 1.061 352 R CB 0.296 30.603 30.300 0.012 0.000 1.432 352 R HN 0.603 nan 8.270 nan 0.000 0.547 353 L N 0.497 121.469 121.223 -0.418 0.000 2.334 353 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 353 L C 0.462 177.218 176.870 -0.191 0.000 1.013 353 L CA 0.209 54.773 54.840 -0.459 0.000 0.816 353 L CB 1.829 43.220 42.059 -1.113 0.000 1.278 353 L HN 0.476 nan 8.230 nan 0.000 0.431 354 G N 2.348 111.104 108.800 -0.073 0.000 2.155 354 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 354 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 354 G C -0.031 174.848 174.900 -0.034 0.000 0.983 354 G CA 0.473 45.581 45.100 0.014 0.000 0.676 354 G HN 0.569 nan 8.290 nan 0.000 0.528 355 K N -0.457 119.854 120.400 -0.147 0.000 2.536 355 K HA 0.599 4.919 4.320 -0.000 0.000 0.269 355 K C 0.009 176.549 176.600 -0.100 0.000 0.965 355 K CA -0.221 56.016 56.287 -0.083 0.000 0.860 355 K CB 1.873 34.390 32.500 0.028 0.000 1.423 355 K HN 0.382 nan 8.250 nan 0.000 0.438 356 S N 0.080 115.753 115.700 -0.044 0.000 2.687 356 S HA 0.209 4.679 4.470 -0.000 0.000 0.283 356 S C 0.783 175.432 174.600 0.081 0.000 1.170 356 S CA -0.530 57.689 58.200 0.033 0.000 1.008 356 S CB 1.397 64.621 63.200 0.039 0.000 1.026 356 S HN 0.619 nan 8.310 nan 0.000 0.541 357 E N 0.757 121.045 120.200 0.147 0.000 2.114 357 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 357 E C 2.103 178.708 176.600 0.007 0.000 1.008 357 E CA 1.558 58.036 56.400 0.128 0.000 0.810 357 E CB -0.173 29.710 29.700 0.306 0.000 0.739 357 E HN 0.635 nan 8.360 nan 0.000 0.456 358 R N 0.777 121.352 120.500 0.126 0.000 2.066 358 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 358 R C 1.986 178.276 176.300 -0.016 0.000 1.131 358 R CA 1.488 57.634 56.100 0.076 0.000 0.955 358 R CB -0.067 30.365 30.300 0.220 0.000 0.851 358 R HN 0.235 nan 8.270 nan 0.000 0.432 359 E N 0.366 120.578 120.200 0.020 0.000 2.160 359 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 359 E C 2.043 178.639 176.600 -0.007 0.000 0.991 359 E CA 1.212 57.619 56.400 0.012 0.000 0.810 359 E CB -0.034 29.679 29.700 0.022 0.000 0.742 359 E HN 0.382 nan 8.360 nan 0.000 0.466 360 L N 0.154 121.360 121.223 -0.028 0.000 2.131 360 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 360 L C 2.389 179.207 176.870 -0.087 0.000 1.087 360 L CA 0.459 55.278 54.840 -0.035 0.000 0.767 360 L CB -0.194 41.846 42.059 -0.032 0.000 0.917 360 L HN 0.035 nan 8.230 nan 0.000 0.441 361 V N -0.552 119.249 119.914 -0.188 0.000 2.407 361 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 361 V C 2.380 178.417 176.094 -0.096 0.000 1.055 361 V CA 1.610 63.768 62.300 -0.237 0.000 1.049 361 V CB -0.481 31.022 31.823 -0.533 0.000 0.662 361 V HN 0.403 nan 8.190 nan 0.000 0.455 362 Q N 0.076 119.841 119.800 -0.058 0.000 2.172 362 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 362 Q C 2.053 178.063 176.000 0.016 0.000 0.964 362 Q CA 1.413 57.213 55.803 -0.005 0.000 0.855 362 Q CB -0.391 28.352 28.738 0.007 0.000 0.918 362 Q HN 0.477 nan 8.270 nan 0.000 0.444 363 V N 0.467 120.389 119.914 0.013 0.000 2.490 363 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 363 V C 2.187 178.302 176.094 0.036 0.000 1.061 363 V CA 1.582 63.900 62.300 0.031 0.000 1.064 363 V CB -0.535 31.313 31.823 0.041 0.000 0.670 363 V HN 0.436 nan 8.190 nan 0.000 0.461 364 L N -0.480 120.759 121.223 0.027 0.000 2.044 364 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 364 L C 2.450 179.376 176.870 0.094 0.000 1.075 364 L CA 1.367 56.231 54.840 0.039 0.000 0.747 364 L CB -0.087 41.980 42.059 0.014 0.000 0.903 364 L HN 0.201 nan 8.230 nan 0.000 0.435 365 V N 0.232 120.227 119.914 0.136 0.000 2.255 365 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 365 V C 2.208 178.407 176.094 0.175 0.000 1.051 365 V CA 2.153 64.596 62.300 0.239 0.000 1.018 365 V CB -0.666 31.228 31.823 0.118 0.000 0.641 365 V HN 0.477 nan 8.190 nan 0.000 0.445 366 D N 0.648 121.102 120.400 0.090 0.000 2.097 366 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 366 D C 2.234 178.566 176.300 0.054 0.000 0.989 366 D CA 1.709 55.746 54.000 0.060 0.000 0.827 366 D CB -0.779 40.043 40.800 0.037 0.000 0.966 366 D HN 0.463 nan 8.370 nan 0.000 0.456 367 G N 0.941 109.770 108.800 0.048 0.000 2.476 367 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 367 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 367 G C 1.863 176.779 174.900 0.025 0.000 1.164 367 G CA 1.202 46.321 45.100 0.032 0.000 0.768 367 G HN 0.266 nan 8.290 nan 0.000 0.560 368 V N 1.354 121.288 119.914 0.033 0.000 2.358 368 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 368 V C 2.646 178.756 176.094 0.027 0.000 1.047 368 V CA 1.784 64.067 62.300 -0.028 0.000 1.035 368 V CB -0.634 31.062 31.823 -0.212 0.000 0.658 368 V HN 0.264 nan 8.190 nan 0.000 0.452 369 N N 0.342 119.116 118.700 0.124 0.000 2.060 369 N HA -0.191 4.549 4.740 -0.000 0.000 0.195 369 N C 1.577 177.089 175.510 0.004 0.000 1.028 369 N CA 1.530 54.629 53.050 0.081 0.000 0.861 369 N CB -0.518 38.013 38.487 0.074 0.000 1.029 369 N HN 0.416 nan 8.380 nan 0.000 0.428 370 L N 0.236 121.461 121.223 0.003 0.000 2.313 370 L HA 0.139 4.479 4.340 -0.000 0.000 0.214 370 L C 1.715 178.567 176.870 -0.030 0.000 1.119 370 L CA 0.920 55.751 54.840 -0.015 0.000 0.809 370 L CB -0.117 41.938 42.059 -0.007 0.000 0.933 370 L HN 0.120 nan 8.230 nan 0.000 0.449 371 L N -1.501 119.706 121.223 -0.026 0.000 2.162 371 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 371 L C 2.334 179.165 176.870 -0.065 0.000 1.086 371 L CA 0.852 55.673 54.840 -0.031 0.000 0.778 371 L CB -0.307 41.754 42.059 0.003 0.000 0.928 371 L HN 0.165 nan 8.230 nan 0.000 0.446 372 I N -0.011 120.493 120.570 -0.109 0.000 2.252 372 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 372 I C 2.789 178.781 176.117 -0.209 0.000 1.102 372 I CA 1.105 62.256 61.300 -0.249 0.000 1.385 372 I CB -0.327 37.420 38.000 -0.421 0.000 1.064 372 I HN 0.208 nan 8.210 nan 0.000 0.414 373 A N 0.097 122.835 122.820 -0.136 0.000 1.859 373 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 373 A C 2.414 179.957 177.584 -0.068 0.000 1.198 373 A CA 2.170 54.152 52.037 -0.092 0.000 0.629 373 A CB -1.422 17.540 19.000 -0.064 0.000 0.830 373 A HN 0.559 nan 8.150 nan 0.000 0.446 374 C N -0.893 118.368 119.300 -0.065 0.000 2.410 374 C HA -0.090 4.370 4.460 -0.000 0.000 0.281 374 C C 2.362 177.323 174.990 -0.049 0.000 1.318 374 C CA 1.270 60.247 59.018 -0.068 0.000 1.776 374 C CB -1.497 26.187 27.740 -0.094 0.000 1.942 374 C HN 0.754 nan 8.230 nan 0.000 0.508 375 D N 0.243 120.632 120.400 -0.018 0.000 2.123 375 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 375 D C 2.239 178.543 176.300 0.007 0.000 0.976 375 D CA 1.014 55.048 54.000 0.056 0.000 0.831 375 D CB -0.012 40.904 40.800 0.193 0.000 0.974 375 D HN 0.390 nan 8.370 nan 0.000 0.469 376 K N 0.273 120.678 120.400 0.008 0.000 1.991 376 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 376 K C 2.114 178.662 176.600 -0.087 0.000 1.049 376 K CA 1.068 57.336 56.287 -0.031 0.000 0.932 376 K CB 0.026 32.514 32.500 -0.020 0.000 0.717 376 K HN 0.028 nan 8.250 nan 0.000 0.441 377 K N 1.057 121.420 120.400 -0.061 0.000 2.020 377 K HA -0.179 4.141 4.320 -0.000 0.000 0.212 377 K C 2.237 178.800 176.600 -0.062 0.000 1.050 377 K CA 1.402 57.657 56.287 -0.053 0.000 0.929 377 K CB -0.660 31.820 32.500 -0.035 0.000 0.714 377 K HN 0.195 nan 8.250 nan 0.000 0.443 378 L N 1.206 122.399 121.223 -0.050 0.000 2.013 378 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 378 L C 2.579 179.376 176.870 -0.123 0.000 1.073 378 L CA 1.389 56.220 54.840 -0.015 0.000 0.753 378 L CB -0.500 41.608 42.059 0.083 0.000 0.890 378 L HN 0.329 nan 8.230 nan 0.000 0.432 379 E N 0.123 120.080 120.200 -0.407 0.000 2.045 379 E HA -0.319 4.031 4.350 -0.000 0.000 0.212 379 E C 1.971 178.408 176.600 -0.273 0.000 1.039 379 E CA 1.643 57.631 56.400 -0.686 0.000 0.860 379 E CB -0.250 28.975 29.700 -0.791 0.000 0.776 379 E HN 0.514 nan 8.360 nan 0.000 0.467 380 A N 0.207 122.916 122.820 -0.185 0.000 2.259 380 A HA 0.054 4.374 4.320 -0.000 0.000 0.212 380 A C 1.312 178.865 177.584 -0.052 0.000 1.178 380 A CA 1.106 53.086 52.037 -0.095 0.000 0.734 380 A CB -0.768 18.189 19.000 -0.073 0.000 0.774 380 A HN 0.459 nan 8.150 nan 0.000 0.481 381 G N -1.208 107.566 108.800 -0.043 0.000 2.368 381 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.290 381 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.290 381 G C -0.198 174.703 174.900 0.002 0.000 1.098 381 G CA 0.550 45.648 45.100 -0.004 0.000 1.073 381 G HN 0.780 nan 8.290 nan 0.000 0.511 382 Q N -0.881 118.921 119.800 0.003 0.000 2.852 382 Q HA 0.801 5.141 4.340 -0.000 0.000 0.262 382 Q C 0.297 176.314 176.000 0.028 0.000 1.051 382 Q CA -0.213 55.594 55.803 0.007 0.000 0.894 382 Q CB 1.597 30.331 28.738 -0.007 0.000 1.381 382 Q HN 0.619 nan 8.270 nan 0.000 0.501 383 S N -0.204 115.512 115.700 0.027 0.000 2.509 383 S HA 0.464 4.934 4.470 -0.000 0.000 0.297 383 S C 0.095 174.714 174.600 0.032 0.000 1.118 383 S CA -0.651 57.576 58.200 0.046 0.000 1.074 383 S CB 0.604 63.827 63.200 0.039 0.000 1.038 383 S HN 0.593 nan 8.310 nan 0.000 0.498 384 I N 0.985 121.583 120.570 0.046 0.000 4.240 384 I HA 0.376 4.546 4.170 -0.000 0.000 0.331 384 I C 1.275 177.387 176.117 -0.007 0.000 1.381 384 I CA -0.114 61.180 61.300 -0.010 0.000 1.136 384 I CB 0.106 38.054 38.000 -0.088 0.000 1.137 384 I HN 0.600 nan 8.210 nan 0.000 0.411 385 D N 3.331 123.756 120.400 0.043 0.000 2.172 385 D HA -0.284 4.356 4.640 -0.000 0.000 0.196 385 D C 1.399 177.708 176.300 0.016 0.000 0.999 385 D CA 2.269 56.297 54.000 0.046 0.000 0.856 385 D CB 0.038 40.872 40.800 0.057 0.000 0.934 385 D HN 0.704 nan 8.370 nan 0.000 0.453 386 D N -0.463 119.941 120.400 0.007 0.000 2.249 386 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 386 D C 2.170 178.464 176.300 -0.009 0.000 0.962 386 D CA 0.186 54.186 54.000 0.000 0.000 0.860 386 D CB -0.457 40.343 40.800 0.001 0.000 0.955 386 D HN 0.352 nan 8.370 nan 0.000 0.505 387 M N 0.550 120.140 119.600 -0.018 0.000 2.476 387 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 387 M C 0.868 177.151 176.300 -0.028 0.000 1.079 387 M CA 0.459 55.744 55.300 -0.025 0.000 1.104 387 M CB -0.071 32.508 32.600 -0.035 0.000 1.409 387 M HN -0.096 nan 8.290 nan 0.000 0.467 388 I N 1.783 122.335 120.570 -0.030 0.000 2.496 388 I HA 0.106 4.276 4.170 -0.000 0.000 0.285 388 I C -1.907 174.199 176.117 -0.017 0.000 1.080 388 I CA -1.856 59.427 61.300 -0.029 0.000 1.404 388 I CB 0.262 38.245 38.000 -0.030 0.000 1.403 388 I HN -0.157 nan 8.210 nan 0.000 0.539 389 P HA 0.020 nan 4.420 nan 0.000 0.265 389 P C -0.655 176.637 177.300 -0.013 0.000 1.187 389 P CA -0.049 63.043 63.100 -0.014 0.000 0.766 389 P CB 0.490 32.181 31.700 -0.016 0.000 0.820 390 K N 0.000 120.393 120.400 -0.011 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.281 56.287 -0.011 0.000 0.838 390 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543