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 2wh8_1_B DATA FIRST_RESID 6 DATA SEQUENCE SHEFQLATAE TWPNPWPMYR ALRDHDPVHH VVPPQRPEYD YYVLSRHADV DATA SEQUENCE WSAARDHQTF SSAQGLTVNY GELEMIGLHD TPPMVMQDPP VHTEFRKLVS DATA SEQUENCE RGFTPRQVET VEPTVRKFVV ERLEKLRANG GGDIVTELFK PLPSMVVAHY DATA SEQUENCE LGVPEEDWTQ FDGWTQAIVA ANAXXXXXXG ALDAVGSMMA YFTGLIERRR DATA SEQUENCE TEPADDAISH LVAAGVGADG DTAGTLSILA FTFTMVTGGN DTVTGMLGGS DATA SEQUENCE MPLLHRRPDQ RRLLLDDPEG IPDAVEELLR LTSPVQGLAR TTTRDVTIGD DATA SEQUENCE TTIPAGRRVL LLYGSANRDE RQYGPDAAEL DVTRCPRNIL TFSHGAHHCL DATA SEQUENCE GAAAARMQCR VALTELLARC PDFEVAESRI VWSGGSYVRR PLSVPFRV 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.491 174.600 -0.181 0.000 1.055 6 S CA 0.000 58.159 58.200 -0.069 0.000 1.107 6 S CB 0.000 63.155 63.200 -0.075 0.000 0.593 7 H N 0.871 119.914 119.070 -0.046 0.000 2.586 7 H HA 0.239 4.796 4.556 0.001 0.000 0.273 7 H C 0.315 175.634 175.328 -0.015 0.000 0.997 7 H CA -0.032 56.003 56.048 -0.022 0.000 1.177 7 H CB 0.501 30.271 29.762 0.014 0.000 1.471 7 H HN 0.611 nan 8.280 nan 0.000 0.538 8 E N 1.281 121.519 120.200 0.062 0.000 2.360 8 E HA -0.006 4.344 4.350 0.000 0.000 0.269 8 E C -0.594 176.006 176.600 -0.001 0.000 1.022 8 E CA -0.432 55.990 56.400 0.037 0.000 0.887 8 E CB 0.191 29.901 29.700 0.016 0.000 0.990 8 E HN 0.033 nan 8.360 nan 0.000 0.426 9 F N 4.467 124.365 119.950 -0.085 0.000 2.608 9 F HA 0.101 4.628 4.527 0.001 0.000 0.380 9 F C 0.008 175.787 175.800 -0.037 0.000 1.083 9 F CA 0.657 58.613 58.000 -0.073 0.000 1.266 9 F CB 0.189 39.129 39.000 -0.101 0.000 1.076 9 F HN 0.492 nan 8.300 nan 0.000 0.574 10 Q N 5.688 124.757 119.800 -1.217 0.000 2.426 10 Q HA 0.436 4.776 4.340 0.000 0.000 0.278 10 Q C -1.853 173.511 176.000 -1.060 0.000 1.007 10 Q CA -1.143 54.121 55.803 -0.897 0.000 0.850 10 Q CB 1.409 29.873 28.738 -0.457 0.000 1.427 10 Q HN 0.695 nan 8.270 nan 0.000 0.391 11 L N 2.122 122.946 121.223 -0.665 0.000 2.499 11 L HA 0.380 4.720 4.340 0.000 0.000 0.273 11 L C 0.602 177.125 176.870 -0.578 0.000 1.195 11 L CA -0.069 54.470 54.840 -0.502 0.000 0.882 11 L CB 0.540 42.437 42.059 -0.270 0.000 1.133 11 L HN 0.860 nan 8.230 nan 0.000 0.483 12 A N 3.073 125.432 122.820 -0.768 0.000 2.425 12 A HA 0.504 4.824 4.320 0.000 0.000 0.242 12 A C 0.367 177.445 177.584 -0.844 0.000 1.077 12 A CA 0.127 51.509 52.037 -1.092 0.000 0.781 12 A CB 0.335 17.971 19.000 -2.274 0.000 1.020 12 A HN 0.783 nan 8.150 nan 0.000 0.494 13 T N -2.870 111.233 114.554 -0.751 0.000 2.864 13 T HA 0.624 4.974 4.350 0.000 0.000 0.289 13 T C 1.027 175.547 174.700 -0.299 0.000 1.082 13 T CA -0.005 61.852 62.100 -0.405 0.000 1.009 13 T CB 1.201 69.924 68.868 -0.241 0.000 1.234 13 T HN 1.468 nan 8.240 nan 0.000 0.526 14 A N 0.264 123.096 122.820 0.020 0.000 1.986 14 A HA -0.087 4.233 4.320 0.000 0.000 0.220 14 A C 1.938 179.585 177.584 0.105 0.000 1.171 14 A CA 2.055 54.223 52.037 0.219 0.000 0.640 14 A CB -1.145 17.980 19.000 0.208 0.000 0.811 14 A HN 0.893 nan 8.150 nan 0.000 0.451 15 E N -0.803 119.381 120.200 -0.026 0.000 2.208 15 E HA -0.068 4.283 4.350 0.000 0.000 0.193 15 E C 1.976 178.491 176.600 -0.142 0.000 0.988 15 E CA 1.546 57.913 56.400 -0.055 0.000 0.828 15 E CB -0.243 29.414 29.700 -0.072 0.000 0.763 15 E HN 0.815 nan 8.360 nan 0.000 0.478 16 T N -4.121 110.271 114.554 -0.270 0.000 3.054 16 T HA 0.039 4.389 4.350 0.000 0.000 0.255 16 T C 1.329 175.750 174.700 -0.465 0.000 1.035 16 T CA -0.456 61.414 62.100 -0.384 0.000 0.941 16 T CB -0.484 68.100 68.868 -0.474 0.000 1.026 16 T HN 0.222 nan 8.240 nan 0.000 0.533 17 W N 2.148 123.174 121.300 -0.456 0.000 2.421 17 W HA 0.082 4.742 4.660 -0.000 0.000 0.270 17 W C -1.152 174.718 176.519 -1.082 0.000 1.233 17 W CA -0.243 56.663 57.345 -0.731 0.000 1.226 17 W CB -0.674 28.408 29.460 -0.631 0.000 1.121 17 W HN 0.348 nan 8.180 nan 0.000 0.579 18 P HA -0.140 nan 4.420 nan 0.000 0.219 18 P C 0.265 177.256 177.300 -0.516 0.000 1.150 18 P CA 1.733 64.504 63.100 -0.549 0.000 0.814 18 P CB 0.147 31.755 31.700 -0.153 0.000 0.787 19 N N -1.675 116.658 118.700 -0.612 0.000 2.697 19 N HA 0.146 4.886 4.740 0.000 0.000 0.253 19 N C -2.399 172.564 175.510 -0.912 0.000 1.604 19 N CA -1.504 51.091 53.050 -0.758 0.000 0.772 19 N CB 0.276 38.549 38.487 -0.357 0.000 1.267 19 N HN -0.123 nan 8.380 nan 0.000 0.510 20 P HA 0.127 nan 4.420 nan 0.000 0.249 20 P C 0.776 177.505 177.300 -0.952 0.000 1.229 20 P CA 0.202 62.649 63.100 -1.089 0.000 0.788 20 P CB -0.086 30.886 31.700 -1.214 0.000 1.072 21 W N 0.786 121.823 121.300 -0.439 0.000 2.388 21 W HA 0.003 4.663 4.660 0.000 0.000 0.294 21 W C -0.708 175.730 176.519 -0.134 0.000 1.212 21 W CA 0.140 57.312 57.345 -0.288 0.000 1.271 21 W CB -2.427 26.961 29.460 -0.120 0.000 1.126 21 W HN 0.115 nan 8.180 nan 0.000 0.535 22 P HA -0.243 nan 4.420 nan 0.000 0.216 22 P C 1.824 179.140 177.300 0.027 0.000 1.153 22 P CA 1.700 64.805 63.100 0.009 0.000 0.848 22 P CB -0.284 31.292 31.700 -0.207 0.000 0.787 23 M N -1.819 117.711 119.600 -0.116 0.000 2.065 23 M HA -0.228 4.252 4.480 0.000 0.000 0.259 23 M C 1.819 178.250 176.300 0.219 0.000 1.069 23 M CA 2.014 57.315 55.300 0.001 0.000 1.110 23 M CB -0.611 31.916 32.600 -0.122 0.000 1.328 23 M HN -0.105 nan 8.290 nan 0.000 0.405 24 Y N 0.159 120.527 120.300 0.113 0.000 2.165 24 Y HA -0.248 4.303 4.550 0.000 0.000 0.286 24 Y C 2.619 178.597 175.900 0.130 0.000 1.155 24 Y CA 1.737 59.932 58.100 0.157 0.000 1.164 24 Y CB -1.427 37.175 38.460 0.236 0.000 0.978 24 Y HN 0.350 nan 8.280 nan 0.000 0.513 25 R N 0.828 121.505 120.500 0.296 0.000 2.081 25 R HA -0.105 4.235 4.340 0.000 0.000 0.235 25 R C 2.332 178.703 176.300 0.119 0.000 1.131 25 R CA 1.527 57.737 56.100 0.183 0.000 0.960 25 R CB -0.869 29.531 30.300 0.166 0.000 0.856 25 R HN 0.204 nan 8.270 nan 0.000 0.436 26 A N 0.624 123.548 122.820 0.173 0.000 1.908 26 A HA -0.129 4.191 4.320 0.000 0.000 0.218 26 A C 2.265 179.926 177.584 0.128 0.000 1.181 26 A CA 1.682 53.829 52.037 0.183 0.000 0.627 26 A CB -0.685 18.472 19.000 0.262 0.000 0.818 26 A HN 0.369 nan 8.150 nan 0.000 0.445 27 L N -1.161 120.132 121.223 0.116 0.000 1.994 27 L HA -0.205 4.135 4.340 0.000 0.000 0.208 27 L C 2.888 179.793 176.870 0.057 0.000 1.071 27 L CA 1.674 56.554 54.840 0.066 0.000 0.745 27 L CB -0.533 41.562 42.059 0.060 0.000 0.892 27 L HN 0.348 nan 8.230 nan 0.000 0.431 28 R N -0.180 120.354 120.500 0.058 0.000 2.120 28 R HA -0.154 4.186 4.340 0.000 0.000 0.234 28 R C 1.725 178.014 176.300 -0.019 0.000 1.123 28 R CA 1.445 57.566 56.100 0.035 0.000 0.975 28 R CB -0.317 30.015 30.300 0.053 0.000 0.866 28 R HN 0.407 nan 8.270 nan 0.000 0.446 29 D N -1.133 119.200 120.400 -0.111 0.000 2.216 29 D HA -0.028 4.612 4.640 0.000 0.000 0.208 29 D C 1.293 177.434 176.300 -0.264 0.000 0.960 29 D CA 1.235 55.064 54.000 -0.285 0.000 0.861 29 D CB 0.117 40.586 40.800 -0.552 0.000 0.985 29 D HN 0.438 nan 8.370 nan 0.000 0.493 30 H N -1.766 117.337 119.070 0.055 0.000 3.058 30 H HA 0.221 4.778 4.556 0.000 0.000 0.258 30 H C -0.299 175.068 175.328 0.065 0.000 1.015 30 H CA -0.003 56.076 56.048 0.052 0.000 1.210 30 H CB 1.400 31.188 29.762 0.043 0.000 1.481 30 H HN -0.162 nan 8.280 nan 0.000 0.492 31 D N -0.199 120.301 120.400 0.167 0.000 3.036 31 D HA 0.048 4.688 4.640 0.000 0.000 0.244 31 D C -2.197 174.187 176.300 0.140 0.000 1.337 31 D CA -1.364 52.737 54.000 0.169 0.000 0.829 31 D CB 0.853 41.788 40.800 0.226 0.000 1.478 31 D HN 0.022 nan 8.370 nan 0.000 0.570 32 P HA -0.007 nan 4.420 nan 0.000 0.229 32 P C 0.388 177.747 177.300 0.098 0.000 1.160 32 P CA 0.337 63.487 63.100 0.084 0.000 0.777 32 P CB 0.696 32.434 31.700 0.063 0.000 0.814 33 V N 1.198 121.191 119.914 0.131 0.000 2.225 33 V HA 0.183 4.303 4.120 0.000 0.000 0.264 33 V C -0.228 176.016 176.094 0.249 0.000 1.067 33 V CA -0.704 61.695 62.300 0.164 0.000 0.903 33 V CB -0.370 31.523 31.823 0.118 0.000 1.136 33 V HN 0.106 nan 8.190 nan 0.000 0.456 34 H N 2.373 121.501 119.070 0.096 0.000 2.489 34 H HA 0.396 4.952 4.556 0.000 0.000 0.322 34 H C -0.159 175.122 175.328 -0.079 0.000 1.091 34 H CA -0.225 55.828 56.048 0.008 0.000 1.291 34 H CB 0.695 30.399 29.762 -0.097 0.000 1.436 34 H HN 0.669 nan 8.280 nan 0.000 0.480 35 H N 5.420 123.998 119.070 -0.819 0.000 2.652 35 H HA 0.336 4.893 4.556 0.000 0.000 0.298 35 H C -0.882 173.793 175.328 -1.088 0.000 1.076 35 H CA -0.902 54.508 56.048 -1.062 0.000 1.360 35 H CB 0.582 29.901 29.762 -0.738 0.000 1.421 35 H HN 0.365 nan 8.280 nan 0.000 0.464 36 V N 7.003 126.312 119.914 -1.008 0.000 2.364 36 V HA 0.099 4.219 4.120 0.000 0.000 0.272 36 V C -0.107 175.525 176.094 -0.771 0.000 1.036 36 V CA -0.597 61.180 62.300 -0.872 0.000 0.880 36 V CB 1.258 32.407 31.823 -1.123 0.000 0.991 36 V HN 0.511 nan 8.190 nan 0.000 0.460 37 V N 7.635 127.216 119.914 -0.555 0.000 2.284 37 V HA 0.319 4.440 4.120 0.000 0.000 0.274 37 V C -2.354 173.649 176.094 -0.151 0.000 1.023 37 V CA -1.835 60.244 62.300 -0.368 0.000 0.808 37 V CB 1.402 32.981 31.823 -0.406 0.000 1.035 37 V HN 0.743 nan 8.190 nan 0.000 0.445 38 P HA 0.190 nan 4.420 nan 0.000 0.266 38 P C -2.084 175.215 177.300 -0.001 0.000 1.215 38 P CA -1.114 62.005 63.100 0.032 0.000 0.763 38 P CB 0.522 32.306 31.700 0.139 0.000 0.806 39 P HA -0.206 nan 4.420 nan 0.000 0.215 39 P C 1.727 179.016 177.300 -0.019 0.000 1.153 39 P CA 1.907 64.994 63.100 -0.022 0.000 0.853 39 P CB -0.319 31.370 31.700 -0.020 0.000 0.788 40 Q N -0.746 119.045 119.800 -0.014 0.000 2.378 40 Q HA 0.145 4.485 4.340 0.000 0.000 0.205 40 Q C 1.527 177.503 176.000 -0.040 0.000 0.954 40 Q CA 1.590 57.378 55.803 -0.025 0.000 0.901 40 Q CB -0.865 27.859 28.738 -0.024 0.000 0.981 40 Q HN 0.349 nan 8.270 nan 0.000 0.483 41 R N 0.842 121.325 120.500 -0.028 0.000 2.754 41 R HA 0.416 4.756 4.340 0.000 0.000 0.255 41 R C -2.299 174.011 176.300 0.016 0.000 1.723 41 R CA -0.373 55.693 56.100 -0.056 0.000 1.596 41 R CB -0.068 30.142 30.300 -0.151 0.000 1.424 41 R HN 0.341 nan 8.270 nan 0.000 0.662 42 P HA -0.193 nan 4.420 nan 0.000 0.222 42 P C 0.292 177.628 177.300 0.059 0.000 1.147 42 P CA 1.226 64.335 63.100 0.015 0.000 0.790 42 P CB 0.428 32.121 31.700 -0.011 0.000 0.780 43 E N -1.189 119.052 120.200 0.068 0.000 2.265 43 E HA -0.163 4.187 4.350 0.000 0.000 0.196 43 E C 0.741 177.466 176.600 0.209 0.000 0.996 43 E CA 0.959 57.421 56.400 0.103 0.000 0.832 43 E CB -0.985 28.775 29.700 0.100 0.000 0.756 43 E HN 0.365 nan 8.360 nan 0.000 0.491 44 Y N 2.085 122.384 120.300 -0.001 0.000 2.811 44 Y HA 0.104 4.654 4.550 0.000 0.000 0.330 44 Y C -0.008 176.110 175.900 0.364 0.000 1.081 44 Y CA -1.727 56.451 58.100 0.130 0.000 1.408 44 Y CB -0.797 37.827 38.460 0.273 0.000 1.235 44 Y HN 0.039 nan 8.280 nan 0.000 0.529 45 D N 0.014 120.605 120.400 0.319 0.000 2.400 45 D HA 0.046 4.687 4.640 0.000 0.000 0.238 45 D C -0.162 176.414 176.300 0.459 0.000 1.157 45 D CA 0.347 54.482 54.000 0.226 0.000 0.889 45 D CB 1.040 41.910 40.800 0.117 0.000 1.199 45 D HN 0.360 nan 8.370 nan 0.000 0.436 46 Y N -2.009 118.386 120.300 0.159 0.000 2.744 46 Y HA 0.613 5.163 4.550 0.000 0.000 0.330 46 Y C -1.611 174.276 175.900 -0.023 0.000 1.263 46 Y CA -1.479 56.742 58.100 0.202 0.000 1.065 46 Y CB 0.912 39.474 38.460 0.169 0.000 1.306 46 Y HN 0.290 nan 8.280 nan 0.000 0.459 47 Y N -0.130 120.321 120.300 0.252 0.000 2.587 47 Y HA 0.748 5.299 4.550 0.000 0.000 0.337 47 Y C -0.799 175.158 175.900 0.096 0.000 1.065 47 Y CA -1.315 56.833 58.100 0.080 0.000 1.126 47 Y CB 2.448 40.953 38.460 0.074 0.000 1.279 47 Y HN 0.481 nan 8.280 nan 0.000 0.489 48 V N 3.312 123.299 119.914 0.122 0.000 2.638 48 V HA 0.403 4.523 4.120 0.000 0.000 0.306 48 V C -0.842 175.275 176.094 0.038 0.000 1.052 48 V CA -0.925 61.378 62.300 0.006 0.000 0.885 48 V CB 1.808 33.447 31.823 -0.307 0.000 0.999 48 V HN 0.512 nan 8.190 nan 0.000 0.424 49 L N 3.835 125.060 121.223 0.003 0.000 2.296 49 L HA 0.530 4.871 4.340 0.000 0.000 0.286 49 L C 0.840 177.687 176.870 -0.038 0.000 1.023 49 L CA -0.156 54.678 54.840 -0.010 0.000 0.812 49 L CB 2.057 44.085 42.059 -0.052 0.000 1.223 49 L HN 0.843 nan 8.230 nan 0.000 0.421 50 S N 1.020 116.712 115.700 -0.013 0.000 2.589 50 S HA 0.242 4.712 4.470 0.000 0.000 0.235 50 S C 0.679 175.292 174.600 0.021 0.000 1.051 50 S CA -0.583 57.603 58.200 -0.025 0.000 0.978 50 S CB 0.359 63.558 63.200 -0.003 0.000 0.929 50 S HN 0.534 nan 8.310 nan 0.000 0.523 51 R N 1.240 121.763 120.500 0.038 0.000 2.459 51 R HA 0.347 4.687 4.340 0.000 0.000 0.281 51 R C 1.110 177.466 176.300 0.093 0.000 1.050 51 R CA -0.502 55.639 56.100 0.069 0.000 1.055 51 R CB 0.353 30.688 30.300 0.058 0.000 1.045 51 R HN 0.286 nan 8.270 nan 0.000 0.495 52 H N 2.455 121.546 119.070 0.035 0.000 2.319 52 H HA -0.184 4.372 4.556 0.000 0.000 0.297 52 H C 1.498 176.865 175.328 0.065 0.000 1.097 52 H CA 2.549 58.623 56.048 0.043 0.000 1.285 52 H CB 0.312 30.034 29.762 -0.066 0.000 1.368 52 H HN 0.749 nan 8.280 nan 0.000 0.495 53 A N 0.809 123.708 122.820 0.132 0.000 1.933 53 A HA -0.160 4.160 4.320 0.000 0.000 0.218 53 A C 2.173 179.817 177.584 0.101 0.000 1.175 53 A CA 1.770 53.876 52.037 0.114 0.000 0.628 53 A CB -0.260 18.789 19.000 0.082 0.000 0.814 53 A HN 0.475 nan 8.150 nan 0.000 0.444 54 D N -0.365 120.070 120.400 0.058 0.000 2.123 54 D HA -0.058 4.582 4.640 0.000 0.000 0.200 54 D C 2.111 178.395 176.300 -0.027 0.000 0.976 54 D CA 1.333 55.346 54.000 0.021 0.000 0.831 54 D CB -0.404 40.402 40.800 0.010 0.000 0.974 54 D HN 0.223 nan 8.370 nan 0.000 0.469 55 V N 0.996 120.905 119.914 -0.009 0.000 2.343 55 V HA -0.186 3.934 4.120 0.000 0.000 0.247 55 V C 2.192 178.326 176.094 0.066 0.000 1.051 55 V CA 1.224 63.521 62.300 -0.005 0.000 1.036 55 V CB -0.445 31.413 31.823 0.059 0.000 0.654 55 V HN 0.384 nan 8.190 nan 0.000 0.451 56 W N 1.618 122.825 121.300 -0.154 0.000 2.354 56 W HA -0.239 4.421 4.660 0.000 0.000 0.315 56 W C 2.803 179.356 176.519 0.057 0.000 1.206 56 W CA 2.448 59.743 57.345 -0.085 0.000 1.290 56 W CB -0.392 28.924 29.460 -0.240 0.000 1.152 56 W HN 0.494 nan 8.180 nan 0.000 0.489 57 S N 0.909 116.732 115.700 0.205 0.000 2.399 57 S HA -0.129 4.341 4.470 0.000 0.000 0.231 57 S C 2.033 176.605 174.600 -0.048 0.000 1.022 57 S CA 1.420 59.670 58.200 0.083 0.000 0.983 57 S CB -0.908 62.373 63.200 0.135 0.000 0.803 57 S HN 0.241 nan 8.310 nan 0.000 0.480 58 A N 2.035 124.732 122.820 -0.204 0.000 1.929 58 A HA 0.421 4.741 4.320 0.000 0.000 0.216 58 A C 2.534 179.932 177.584 -0.311 0.000 1.176 58 A CA 1.462 53.144 52.037 -0.591 0.000 0.628 58 A CB -1.416 16.850 19.000 -1.225 0.000 0.816 58 A HN 0.833 nan 8.150 nan 0.000 0.444 59 A N 0.016 122.734 122.820 -0.170 0.000 1.902 59 A HA -0.172 4.148 4.320 0.000 0.000 0.217 59 A C 2.181 179.692 177.584 -0.121 0.000 1.181 59 A CA 2.152 54.153 52.037 -0.059 0.000 0.623 59 A CB -0.429 18.588 19.000 0.027 0.000 0.818 59 A HN 0.467 nan 8.150 nan 0.000 0.443 60 R N 0.675 121.028 120.500 -0.245 0.000 2.075 60 R HA -0.100 4.240 4.340 0.000 0.000 0.232 60 R C 0.200 176.413 176.300 -0.146 0.000 1.126 60 R CA 1.513 57.412 56.100 -0.335 0.000 0.963 60 R CB -0.521 29.534 30.300 -0.410 0.000 0.858 60 R HN 0.358 nan 8.270 nan 0.000 0.435 61 D N 0.618 120.985 120.400 -0.054 0.000 2.608 61 D HA -0.025 4.615 4.640 0.000 0.000 0.224 61 D C 0.460 176.769 176.300 0.013 0.000 1.123 61 D CA -0.109 53.867 54.000 -0.039 0.000 1.030 61 D CB -0.196 40.685 40.800 0.134 0.000 1.093 61 D HN 0.507 nan 8.370 nan 0.000 0.497 62 H N 0.343 119.445 119.070 0.054 0.000 2.489 62 H HA -0.084 4.472 4.556 0.000 0.000 0.293 62 H C 1.466 176.817 175.328 0.038 0.000 1.066 62 H CA 1.088 57.173 56.048 0.060 0.000 1.305 62 H CB -0.110 29.660 29.762 0.013 0.000 1.386 62 H HN 0.214 nan 8.280 nan 0.000 0.551 63 Q N 0.420 120.091 119.800 -0.215 0.000 2.084 63 Q HA -0.057 4.283 4.340 0.000 0.000 0.202 63 Q C 2.077 178.025 176.000 -0.088 0.000 0.978 63 Q CA 2.256 58.010 55.803 -0.083 0.000 0.844 63 Q CB -0.010 28.635 28.738 -0.154 0.000 0.898 63 Q HN 0.559 nan 8.270 nan 0.000 0.426 64 T N -0.643 113.826 114.554 -0.141 0.000 2.976 64 T HA 0.099 4.450 4.350 0.000 0.000 0.257 64 T C -0.243 174.173 174.700 -0.473 0.000 1.051 64 T CA 0.486 62.389 62.100 -0.330 0.000 1.141 64 T CB 0.091 68.694 68.868 -0.442 0.000 0.881 64 T HN 0.015 nan 8.240 nan 0.000 0.461 65 F N 2.283 122.214 119.950 -0.031 0.000 2.307 65 F HA 0.512 5.039 4.527 0.000 0.000 0.369 65 F C 0.513 176.314 175.800 0.002 0.000 1.076 65 F CA -0.956 57.034 58.000 -0.017 0.000 1.149 65 F CB 0.797 39.786 39.000 -0.018 0.000 1.410 65 F HN -0.069 nan 8.300 nan 0.000 0.481 66 S N 0.912 116.673 115.700 0.103 0.000 2.586 66 S HA 0.283 4.754 4.470 0.000 0.000 0.274 66 S C 1.015 175.636 174.600 0.035 0.000 1.281 66 S CA -0.482 57.761 58.200 0.071 0.000 1.035 66 S CB 1.174 64.391 63.200 0.029 0.000 0.962 66 S HN 0.490 nan 8.310 nan 0.000 0.512 67 S N 3.112 118.813 115.700 0.002 0.000 2.556 67 S HA 0.205 4.675 4.470 0.000 0.000 0.216 67 S C 1.657 176.211 174.600 -0.077 0.000 0.970 67 S CA 0.267 58.414 58.200 -0.089 0.000 0.912 67 S CB 0.063 63.115 63.200 -0.247 0.000 0.790 67 S HN 0.810 nan 8.310 nan 0.000 0.504 68 A N 0.830 123.630 122.820 -0.034 0.000 2.167 68 A HA 0.050 4.371 4.320 0.000 0.000 0.214 68 A C 1.817 179.383 177.584 -0.029 0.000 1.151 68 A CA 0.671 52.691 52.037 -0.029 0.000 0.735 68 A CB -0.030 18.966 19.000 -0.007 0.000 0.802 68 A HN 0.276 nan 8.150 nan 0.000 0.467 69 Q N -0.686 119.093 119.800 -0.035 0.000 2.282 69 Q HA 0.344 4.684 4.340 0.000 0.000 0.206 69 Q C 0.784 176.741 176.000 -0.072 0.000 0.878 69 Q CA 0.745 56.528 55.803 -0.034 0.000 0.944 69 Q CB 0.423 29.146 28.738 -0.026 0.000 1.100 69 Q HN 0.760 nan 8.270 nan 0.000 0.509 70 G N -0.009 108.733 108.800 -0.097 0.000 2.371 70 G HA2 -0.101 3.859 3.960 0.000 0.000 0.663 70 G HA3 -0.101 3.859 3.960 0.000 0.000 0.663 70 G C -0.557 174.238 174.900 -0.175 0.000 1.311 70 G CA -0.696 44.325 45.100 -0.133 0.000 0.985 70 G HN 0.112 nan 8.290 nan 0.000 0.566 71 L N 0.678 121.767 121.223 -0.224 0.000 3.135 71 L HA 0.297 4.638 4.340 0.000 0.000 0.279 71 L C 1.605 178.226 176.870 -0.415 0.000 1.200 71 L CA 0.502 55.180 54.840 -0.270 0.000 1.016 71 L CB 0.579 42.489 42.059 -0.250 0.000 1.391 71 L HN 0.930 nan 8.230 nan 0.000 0.588 72 T N -2.842 111.456 114.554 -0.428 0.000 2.884 72 T HA 0.268 4.618 4.350 0.000 0.000 0.277 72 T C 1.112 175.631 174.700 -0.301 0.000 0.976 72 T CA -0.093 61.723 62.100 -0.474 0.000 0.956 72 T CB 1.770 70.440 68.868 -0.330 0.000 1.113 72 T HN -0.086 nan 8.240 nan 0.000 0.554 73 V N -1.488 118.291 119.914 -0.225 0.000 3.623 73 V HA 0.281 4.401 4.120 0.000 0.000 0.271 73 V C 0.209 176.009 176.094 -0.490 0.000 1.248 73 V CA -0.395 61.594 62.300 -0.519 0.000 1.156 73 V CB -1.366 29.871 31.823 -0.977 0.000 0.870 73 V HN 0.670 nan 8.190 nan 0.000 0.453 74 N N 1.592 120.126 118.700 -0.278 0.000 2.406 74 N HA 0.289 5.029 4.740 0.000 0.000 0.251 74 N C -0.717 174.634 175.510 -0.266 0.000 1.069 74 N CA -0.125 52.846 53.050 -0.132 0.000 0.947 74 N CB 0.561 39.061 38.487 0.022 0.000 1.111 74 N HN 0.463 nan 8.380 nan 0.000 0.497 75 Y N 0.347 120.419 120.300 -0.380 0.000 2.550 75 Y HA 0.172 4.722 4.550 0.000 0.000 0.343 75 Y C 1.905 177.699 175.900 -0.177 0.000 1.245 75 Y CA 0.953 58.793 58.100 -0.434 0.000 1.462 75 Y CB 0.543 38.466 38.460 -0.895 0.000 1.340 75 Y HN 0.772 nan 8.280 nan 0.000 0.604 76 G N 0.761 109.595 108.800 0.056 0.000 2.179 76 G HA2 -0.398 3.562 3.960 0.000 0.000 0.260 76 G HA3 -0.398 3.562 3.960 0.000 0.000 0.260 76 G C 1.177 176.101 174.900 0.041 0.000 0.977 76 G CA 0.663 45.807 45.100 0.075 0.000 0.641 76 G HN 0.747 nan 8.290 nan 0.000 0.533 77 E N -0.240 119.959 120.200 -0.002 0.000 2.068 77 E HA -0.225 4.125 4.350 0.000 0.000 0.207 77 E C 2.431 179.025 176.600 -0.010 0.000 1.032 77 E CA 1.833 58.221 56.400 -0.021 0.000 0.839 77 E CB -0.242 29.410 29.700 -0.079 0.000 0.758 77 E HN 0.587 nan 8.360 nan 0.000 0.457 78 L N 1.016 122.234 121.223 -0.008 0.000 2.012 78 L HA -0.207 4.133 4.340 0.000 0.000 0.210 78 L C 2.424 179.313 176.870 0.032 0.000 1.073 78 L CA 2.452 57.297 54.840 0.009 0.000 0.748 78 L CB -0.506 41.572 42.059 0.032 0.000 0.891 78 L HN 0.246 nan 8.230 nan 0.000 0.431 79 E N -1.395 118.827 120.200 0.038 0.000 2.086 79 E HA -0.151 4.199 4.350 0.000 0.000 0.190 79 E C 2.093 178.708 176.600 0.025 0.000 0.975 79 E CA 1.099 57.519 56.400 0.035 0.000 0.813 79 E CB -0.123 29.589 29.700 0.019 0.000 0.768 79 E HN 0.295 nan 8.360 nan 0.000 0.457 80 M N 0.159 119.777 119.600 0.029 0.000 2.149 80 M HA -0.101 4.379 4.480 0.000 0.000 0.261 80 M C 2.478 178.788 176.300 0.017 0.000 1.064 80 M CA 1.268 56.586 55.300 0.029 0.000 1.102 80 M CB -0.703 31.924 32.600 0.045 0.000 1.369 80 M HN 0.268 nan 8.290 nan 0.000 0.408 81 I N -0.464 120.112 120.570 0.009 0.000 2.876 81 I HA 0.034 4.204 4.170 0.000 0.000 0.264 81 I C 0.898 177.009 176.117 -0.010 0.000 1.204 81 I CA 0.969 62.267 61.300 -0.004 0.000 1.485 81 I CB 0.103 38.094 38.000 -0.015 0.000 1.103 81 I HN 0.518 nan 8.210 nan 0.000 0.446 82 G N 0.975 109.776 108.800 0.002 0.000 2.207 82 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 82 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 82 G C 0.093 174.994 174.900 0.002 0.000 1.053 82 G CA 0.057 45.160 45.100 0.004 0.000 0.764 82 G HN 0.226 nan 8.290 nan 0.000 0.495 83 L N 0.073 121.303 121.223 0.012 0.000 2.959 83 L HA 0.374 4.714 4.340 0.000 0.000 0.259 83 L C 1.841 178.711 176.870 -0.000 0.000 1.185 83 L CA 0.634 55.467 54.840 -0.012 0.000 0.998 83 L CB -0.426 41.613 42.059 -0.034 0.000 1.337 83 L HN 0.550 nan 8.230 nan 0.000 0.555 84 H N -0.217 118.835 119.070 -0.030 0.000 2.293 84 H HA -0.136 4.420 4.556 0.000 0.000 0.300 84 H C 1.432 176.745 175.328 -0.025 0.000 1.082 84 H CA 2.392 58.426 56.048 -0.024 0.000 1.308 84 H CB 0.471 30.224 29.762 -0.016 0.000 1.375 84 H HN 0.230 nan 8.280 nan 0.000 0.495 85 D N -0.502 119.883 120.400 -0.026 0.000 2.117 85 D HA -0.040 4.601 4.640 0.000 0.000 0.198 85 D C 0.332 176.554 176.300 -0.129 0.000 0.982 85 D CA 1.531 55.496 54.000 -0.058 0.000 0.828 85 D CB -0.040 40.798 40.800 0.064 0.000 0.967 85 D HN 0.322 nan 8.370 nan 0.000 0.464 86 T N 2.505 116.999 114.554 -0.100 0.000 3.305 86 T HA 0.261 4.611 4.350 0.000 0.000 0.348 86 T C -2.621 172.014 174.700 -0.110 0.000 1.394 86 T CA -1.186 60.854 62.100 -0.100 0.000 1.549 86 T CB 2.219 71.052 68.868 -0.059 0.000 0.962 86 T HN -0.025 nan 8.240 nan 0.000 0.609 87 P HA 0.369 nan 4.420 nan 0.000 0.276 87 P C -2.649 174.577 177.300 -0.123 0.000 1.244 87 P CA -1.636 61.395 63.100 -0.114 0.000 0.801 87 P CB 0.067 31.698 31.700 -0.114 0.000 1.006 88 P HA 0.056 nan 4.420 nan 0.000 0.272 88 P C 1.267 178.528 177.300 -0.066 0.000 1.240 88 P CA -0.108 62.952 63.100 -0.067 0.000 0.791 88 P CB 0.452 32.145 31.700 -0.012 0.000 0.978 89 M N 1.279 120.854 119.600 -0.043 0.000 2.279 89 M HA -0.109 4.371 4.480 0.000 0.000 0.264 89 M C 1.321 177.764 176.300 0.240 0.000 1.062 89 M CA 2.149 57.493 55.300 0.074 0.000 1.099 89 M CB -1.387 31.314 32.600 0.169 0.000 1.394 89 M HN 0.066 nan 8.290 nan 0.000 0.426 90 V N -1.759 118.229 119.914 0.124 0.000 3.078 90 V HA -0.009 4.111 4.120 0.000 0.000 0.265 90 V C 1.504 177.495 176.094 -0.171 0.000 1.122 90 V CA 1.094 63.379 62.300 -0.025 0.000 1.141 90 V CB -1.064 30.728 31.823 -0.051 0.000 0.735 90 V HN 0.637 nan 8.190 nan 0.000 0.498 91 M N 0.284 119.844 119.600 -0.067 0.000 2.771 91 M HA 0.415 4.895 4.480 0.000 0.000 0.341 91 M C -0.074 176.207 176.300 -0.031 0.000 1.226 91 M CA 0.272 55.522 55.300 -0.083 0.000 0.955 91 M CB 0.522 33.073 32.600 -0.082 0.000 1.318 91 M HN 0.389 nan 8.290 nan 0.000 0.514 92 Q N 0.260 120.093 119.800 0.056 0.000 2.377 92 Q HA 0.388 4.728 4.340 0.000 0.000 0.271 92 Q C -1.139 174.930 176.000 0.115 0.000 1.077 92 Q CA -0.834 55.017 55.803 0.080 0.000 0.820 92 Q CB 2.503 31.309 28.738 0.114 0.000 1.347 92 Q HN 0.094 nan 8.270 nan 0.000 0.444 93 D N 1.721 122.157 120.400 0.060 0.000 2.268 93 D HA 0.380 5.020 4.640 0.000 0.000 0.249 93 D C -2.419 173.873 176.300 -0.013 0.000 1.008 93 D CA -1.790 52.218 54.000 0.013 0.000 0.939 93 D CB 1.120 41.945 40.800 0.041 0.000 1.170 93 D HN 0.142 nan 8.370 nan 0.000 0.468 94 P HA 0.114 nan 4.420 nan 0.000 0.269 94 P C -1.702 175.582 177.300 -0.027 0.000 1.209 94 P CA -0.807 62.227 63.100 -0.111 0.000 0.776 94 P CB 0.266 31.770 31.700 -0.326 0.000 0.876 95 P HA -0.005 nan 4.420 nan 0.000 0.230 95 P C 1.202 178.509 177.300 0.011 0.000 1.168 95 P CA 0.538 63.638 63.100 -0.000 0.000 0.793 95 P CB 0.138 31.842 31.700 0.007 0.000 0.851 96 V N 0.721 120.648 119.914 0.022 0.000 2.332 96 V HA -0.258 3.862 4.120 0.000 0.000 0.248 96 V C 2.712 178.836 176.094 0.051 0.000 1.055 96 V CA 2.332 64.649 62.300 0.027 0.000 1.038 96 V CB -1.671 30.162 31.823 0.016 0.000 0.651 96 V HN 0.233 nan 8.190 nan 0.000 0.450 97 H N 0.453 119.500 119.070 -0.040 0.000 2.421 97 H HA -0.148 4.409 4.556 0.000 0.000 0.298 97 H C 2.228 177.541 175.328 -0.025 0.000 1.087 97 H CA 2.142 58.168 56.048 -0.036 0.000 1.330 97 H CB -0.197 29.503 29.762 -0.104 0.000 1.388 97 H HN 0.402 nan 8.280 nan 0.000 0.526 98 T N 0.027 114.535 114.554 -0.077 0.000 2.674 98 T HA -0.192 4.159 4.350 0.000 0.000 0.265 98 T C 1.817 176.438 174.700 -0.132 0.000 1.039 98 T CA 1.628 63.655 62.100 -0.122 0.000 1.150 98 T CB -0.263 68.576 68.868 -0.049 0.000 0.864 98 T HN 0.366 nan 8.240 nan 0.000 0.427 99 E N 0.663 120.824 120.200 -0.064 0.000 2.047 99 E HA -0.062 4.289 4.350 0.000 0.000 0.191 99 E C 1.784 178.344 176.600 -0.066 0.000 0.987 99 E CA 1.025 57.393 56.400 -0.053 0.000 0.799 99 E CB -0.591 29.100 29.700 -0.015 0.000 0.752 99 E HN 0.491 nan 8.360 nan 0.000 0.449 100 F N 1.082 120.927 119.950 -0.175 0.000 2.102 100 F HA -0.121 4.406 4.527 0.000 0.000 0.298 100 F C 2.529 178.182 175.800 -0.245 0.000 1.105 100 F CA 2.081 59.972 58.000 -0.182 0.000 1.239 100 F CB -0.200 38.709 39.000 -0.152 0.000 0.991 100 F HN -0.019 nan 8.300 nan 0.000 0.474 101 R N 0.822 121.227 120.500 -0.158 0.000 2.127 101 R HA -0.208 4.132 4.340 0.000 0.000 0.238 101 R C 2.438 178.603 176.300 -0.225 0.000 1.134 101 R CA 1.747 57.694 56.100 -0.255 0.000 0.975 101 R CB -0.425 29.580 30.300 -0.492 0.000 0.865 101 R HN 0.276 nan 8.270 nan 0.000 0.447 102 K N 0.653 120.931 120.400 -0.203 0.000 2.057 102 K HA -0.146 4.174 4.320 0.000 0.000 0.207 102 K C 1.982 178.464 176.600 -0.196 0.000 1.049 102 K CA 1.469 57.659 56.287 -0.162 0.000 0.931 102 K CB -0.078 32.347 32.500 -0.124 0.000 0.714 102 K HN 0.271 nan 8.250 nan 0.000 0.440 103 L N 1.054 122.118 121.223 -0.265 0.000 2.005 103 L HA -0.142 4.198 4.340 0.000 0.000 0.207 103 L C 2.578 179.246 176.870 -0.337 0.000 1.072 103 L CA 1.193 55.853 54.840 -0.301 0.000 0.744 103 L CB -0.679 41.157 42.059 -0.372 0.000 0.895 103 L HN 0.119 nan 8.230 nan 0.000 0.433 104 V N -2.936 116.708 119.914 -0.451 0.000 2.667 104 V HA -0.148 3.972 4.120 0.000 0.000 0.252 104 V C 2.587 178.685 176.094 0.007 0.000 1.065 104 V CA 1.553 63.653 62.300 -0.334 0.000 1.083 104 V CB -0.821 30.646 31.823 -0.593 0.000 0.692 104 V HN 0.532 nan 8.190 nan 0.000 0.468 105 S N 1.066 116.748 115.700 -0.030 0.000 2.442 105 S HA -0.171 4.299 4.470 0.000 0.000 0.236 105 S C 2.011 176.650 174.600 0.065 0.000 1.007 105 S CA 1.282 59.543 58.200 0.102 0.000 0.965 105 S CB -0.780 62.407 63.200 -0.022 0.000 0.773 105 S HN 0.678 nan 8.310 nan 0.000 0.504 106 R N 0.960 121.358 120.500 -0.170 0.000 2.200 106 R HA 0.007 4.347 4.340 0.000 0.000 0.234 106 R C 2.171 178.271 176.300 -0.334 0.000 1.127 106 R CA 1.036 56.892 56.100 -0.406 0.000 0.989 106 R CB -0.668 29.079 30.300 -0.921 0.000 0.869 106 R HN 0.595 nan 8.270 nan 0.000 0.459 107 G N -0.451 108.275 108.800 -0.125 0.000 3.141 107 G HA2 0.005 3.965 3.960 0.000 0.000 0.218 107 G HA3 0.005 3.965 3.960 0.000 0.000 0.218 107 G C -0.043 174.698 174.900 -0.265 0.000 1.170 107 G CA -0.262 44.761 45.100 -0.128 0.000 0.769 107 G HN 0.095 nan 8.290 nan 0.000 0.546 108 F N 2.105 122.120 119.950 0.107 0.000 2.449 108 F HA 0.354 4.881 4.527 0.000 0.000 0.344 108 F C 0.561 176.429 175.800 0.113 0.000 1.180 108 F CA -0.851 57.271 58.000 0.205 0.000 1.209 108 F CB 1.073 40.155 39.000 0.137 0.000 1.440 108 F HN -0.021 nan 8.300 nan 0.000 0.526 109 T N -2.249 112.416 114.554 0.185 0.000 2.940 109 T HA 0.433 4.783 4.350 0.000 0.000 0.288 109 T C -2.013 172.757 174.700 0.117 0.000 1.045 109 T CA -2.364 59.806 62.100 0.116 0.000 1.018 109 T CB 2.135 71.034 68.868 0.051 0.000 1.151 109 T HN -0.071 nan 8.240 nan 0.000 0.529 110 P HA -0.122 nan 4.420 nan 0.000 0.216 110 P C 1.985 179.326 177.300 0.068 0.000 1.150 110 P CA 1.995 65.144 63.100 0.081 0.000 0.843 110 P CB -0.353 31.382 31.700 0.058 0.000 0.787 111 R N 0.285 120.814 120.500 0.048 0.000 2.096 111 R HA -0.246 4.094 4.340 0.000 0.000 0.240 111 R C 2.288 178.608 176.300 0.033 0.000 1.139 111 R CA 2.345 58.465 56.100 0.033 0.000 0.952 111 R CB -2.327 27.984 30.300 0.018 0.000 0.854 111 R HN 0.290 nan 8.270 nan 0.000 0.436 112 Q N -0.319 119.487 119.800 0.010 0.000 2.167 112 Q HA 0.026 4.366 4.340 0.000 0.000 0.202 112 Q C 2.236 178.272 176.000 0.061 0.000 0.970 112 Q CA 1.471 57.241 55.803 -0.055 0.000 0.855 112 Q CB -0.394 28.111 28.738 -0.389 0.000 0.911 112 Q HN 0.426 nan 8.270 nan 0.000 0.438 113 V N 0.208 120.207 119.914 0.143 0.000 2.488 113 V HA -0.214 3.906 4.120 0.000 0.000 0.246 113 V C 1.534 177.676 176.094 0.081 0.000 1.046 113 V CA 1.616 64.032 62.300 0.193 0.000 1.053 113 V CB -0.055 31.901 31.823 0.222 0.000 0.679 113 V HN 0.372 nan 8.190 nan 0.000 0.458 114 E N 0.083 120.320 120.200 0.061 0.000 2.110 114 E HA -0.191 4.160 4.350 0.000 0.000 0.193 114 E C 2.153 178.755 176.600 0.003 0.000 0.988 114 E CA 1.824 58.244 56.400 0.033 0.000 0.804 114 E CB -0.249 29.471 29.700 0.035 0.000 0.745 114 E HN 0.843 nan 8.360 nan 0.000 0.458 115 T N -1.393 113.160 114.554 -0.001 0.000 2.951 115 T HA -0.052 4.299 4.350 0.000 0.000 0.268 115 T C 1.890 176.501 174.700 -0.149 0.000 1.073 115 T CA 0.682 62.768 62.100 -0.023 0.000 1.134 115 T CB 0.055 68.964 68.868 0.069 0.000 0.884 115 T HN 0.045 nan 8.240 nan 0.000 0.479 116 V N 0.719 120.445 119.914 -0.315 0.000 3.590 116 V HA 0.188 4.308 4.120 0.000 0.000 0.265 116 V C 2.362 178.377 176.094 -0.131 0.000 1.239 116 V CA 0.781 62.843 62.300 -0.398 0.000 1.117 116 V CB -0.122 31.232 31.823 -0.782 0.000 0.818 116 V HN 0.562 nan 8.190 nan 0.000 0.451 117 E N 0.902 121.065 120.200 -0.061 0.000 2.058 117 E HA -0.207 4.143 4.350 0.000 0.000 0.194 117 E C -0.419 176.190 176.600 0.015 0.000 0.997 117 E CA 1.856 58.255 56.400 -0.002 0.000 0.801 117 E CB -0.636 29.075 29.700 0.018 0.000 0.746 117 E HN 0.535 nan 8.360 nan 0.000 0.450 118 P HA -0.116 nan 4.420 nan 0.000 0.216 118 P C 1.135 178.461 177.300 0.044 0.000 1.150 118 P CA 1.648 64.763 63.100 0.025 0.000 0.837 118 P CB -0.068 31.640 31.700 0.014 0.000 0.786 119 T N -1.070 113.509 114.554 0.041 0.000 2.821 119 T HA -0.068 4.282 4.350 0.000 0.000 0.267 119 T C 1.854 176.626 174.700 0.120 0.000 1.046 119 T CA 0.938 63.091 62.100 0.088 0.000 1.139 119 T CB -0.917 68.023 68.868 0.120 0.000 0.871 119 T HN -0.105 nan 8.240 nan 0.000 0.454 120 V N 1.374 121.338 119.914 0.082 0.000 2.307 120 V HA -0.146 3.974 4.120 0.000 0.000 0.245 120 V C 2.668 178.854 176.094 0.153 0.000 1.045 120 V CA 1.659 64.024 62.300 0.108 0.000 1.024 120 V CB -0.533 31.329 31.823 0.064 0.000 0.651 120 V HN 0.344 nan 8.190 nan 0.000 0.449 121 R N 0.125 120.688 120.500 0.105 0.000 2.083 121 R HA -0.231 4.109 4.340 0.000 0.000 0.237 121 R C 2.443 178.802 176.300 0.098 0.000 1.137 121 R CA 2.152 58.307 56.100 0.092 0.000 0.951 121 R CB -0.273 30.065 30.300 0.063 0.000 0.851 121 R HN 0.450 nan 8.270 nan 0.000 0.434 122 K N -0.508 119.957 120.400 0.107 0.000 2.032 122 K HA -0.216 4.104 4.320 0.000 0.000 0.209 122 K C 1.940 178.620 176.600 0.133 0.000 1.048 122 K CA 1.879 58.227 56.287 0.102 0.000 0.927 122 K CB -0.307 32.254 32.500 0.101 0.000 0.712 122 K HN 0.127 nan 8.250 nan 0.000 0.441 123 F N 0.923 120.894 119.950 0.035 0.000 2.102 123 F HA -0.211 4.316 4.527 0.000 0.000 0.298 123 F C 1.901 177.711 175.800 0.015 0.000 1.105 123 F CA 1.211 59.229 58.000 0.031 0.000 1.239 123 F CB -0.343 38.685 39.000 0.047 0.000 0.991 123 F HN -0.189 nan 8.300 nan 0.000 0.474 124 V N -0.388 119.588 119.914 0.103 0.000 2.255 124 V HA -0.333 3.787 4.120 0.000 0.000 0.247 124 V C 2.410 178.448 176.094 -0.094 0.000 1.051 124 V CA 1.804 64.099 62.300 -0.008 0.000 1.018 124 V CB -0.856 31.019 31.823 0.087 0.000 0.641 124 V HN 0.259 nan 8.190 nan 0.000 0.445 125 V N 0.233 120.123 119.914 -0.039 0.000 2.252 125 V HA -0.356 3.764 4.120 0.000 0.000 0.249 125 V C 2.535 178.574 176.094 -0.091 0.000 1.056 125 V CA 2.539 64.813 62.300 -0.043 0.000 1.022 125 V CB -0.750 31.068 31.823 -0.008 0.000 0.641 125 V HN 0.781 nan 8.190 nan 0.000 0.445 126 E N -0.076 120.048 120.200 -0.125 0.000 2.130 126 E HA -0.280 4.070 4.350 0.000 0.000 0.196 126 E C 2.346 178.811 176.600 -0.225 0.000 0.998 126 E CA 1.389 57.695 56.400 -0.158 0.000 0.806 126 E CB -0.015 29.588 29.700 -0.162 0.000 0.738 126 E HN 0.423 nan 8.360 nan 0.000 0.459 127 R N 0.141 120.433 120.500 -0.346 0.000 2.112 127 R HA 0.084 4.424 4.340 0.000 0.000 0.216 127 R C 2.602 178.772 176.300 -0.217 0.000 1.080 127 R CA 0.412 56.306 56.100 -0.343 0.000 0.996 127 R CB -0.653 29.337 30.300 -0.517 0.000 0.902 127 R HN 0.315 nan 8.270 nan 0.000 0.449 128 L N 1.173 122.288 121.223 -0.179 0.000 2.083 128 L HA -0.162 4.178 4.340 0.000 0.000 0.209 128 L C 2.218 179.068 176.870 -0.033 0.000 1.083 128 L CA 1.257 56.043 54.840 -0.089 0.000 0.752 128 L CB -0.328 41.699 42.059 -0.054 0.000 0.899 128 L HN 0.083 nan 8.230 nan 0.000 0.433 129 E N 0.461 120.630 120.200 -0.051 0.000 2.150 129 E HA -0.185 4.165 4.350 0.000 0.000 0.193 129 E C 2.450 179.029 176.600 -0.035 0.000 0.985 129 E CA 1.565 57.947 56.400 -0.031 0.000 0.814 129 E CB -0.206 29.476 29.700 -0.031 0.000 0.752 129 E HN 0.498 nan 8.360 nan 0.000 0.466 130 K N 1.302 121.664 120.400 -0.063 0.000 2.026 130 K HA -0.061 4.259 4.320 0.000 0.000 0.208 130 K C 2.363 178.944 176.600 -0.032 0.000 1.048 130 K CA 1.268 57.521 56.287 -0.056 0.000 0.929 130 K CB -1.150 31.300 32.500 -0.083 0.000 0.713 130 K HN 0.076 nan 8.250 nan 0.000 0.439 131 L N 0.184 121.394 121.223 -0.023 0.000 2.012 131 L HA -0.238 4.102 4.340 0.000 0.000 0.210 131 L C 3.414 180.311 176.870 0.045 0.000 1.073 131 L CA 2.079 56.942 54.840 0.039 0.000 0.748 131 L CB -0.779 41.354 42.059 0.123 0.000 0.891 131 L HN 0.600 nan 8.230 nan 0.000 0.431 132 R N 0.239 120.765 120.500 0.044 0.000 2.096 132 R HA -0.158 4.182 4.340 0.000 0.000 0.240 132 R C 2.307 178.606 176.300 -0.002 0.000 1.139 132 R CA 1.855 57.967 56.100 0.021 0.000 0.952 132 R CB -1.868 28.448 30.300 0.026 0.000 0.854 132 R HN 0.524 nan 8.270 nan 0.000 0.436 133 A N 1.362 124.179 122.820 -0.005 0.000 1.978 133 A HA -0.166 4.154 4.320 0.000 0.000 0.220 133 A C 1.674 179.250 177.584 -0.013 0.000 1.170 133 A CA 1.524 53.555 52.037 -0.011 0.000 0.636 133 A CB -0.199 18.793 19.000 -0.014 0.000 0.810 133 A HN 0.644 nan 8.150 nan 0.000 0.448 134 N N -1.115 117.577 118.700 -0.013 0.000 2.270 134 N HA 0.188 4.928 4.740 0.000 0.000 0.198 134 N C 1.036 176.532 175.510 -0.022 0.000 1.117 134 N CA 0.877 53.917 53.050 -0.016 0.000 0.845 134 N CB 0.481 38.959 38.487 -0.014 0.000 0.980 134 N HN 0.617 nan 8.380 nan 0.000 0.486 135 G N 0.307 109.090 108.800 -0.029 0.000 2.153 135 G HA2 -0.128 3.832 3.960 0.000 0.000 0.252 135 G HA3 -0.128 3.832 3.960 0.000 0.000 0.252 135 G C 0.531 175.384 174.900 -0.078 0.000 0.994 135 G CA 0.712 45.781 45.100 -0.052 0.000 0.698 135 G HN 0.815 nan 8.290 nan 0.000 0.521 136 G N -2.451 106.320 108.800 -0.048 0.000 2.298 136 G HA2 0.634 4.594 3.960 0.000 0.000 0.309 136 G HA3 0.634 4.594 3.960 0.000 0.000 0.309 136 G C 0.566 175.495 174.900 0.049 0.000 1.279 136 G CA 0.924 46.007 45.100 -0.028 0.000 1.042 136 G HN 2.573 nan 8.290 nan 0.000 0.480 137 G N -1.314 107.539 108.800 0.088 0.000 2.345 137 G HA2 0.495 4.455 3.960 0.000 0.000 0.285 137 G HA3 0.495 4.455 3.960 0.000 0.000 0.285 137 G C -1.991 172.945 174.900 0.060 0.000 1.297 137 G CA 0.511 45.640 45.100 0.048 0.000 0.875 137 G HN 1.176 nan 8.290 nan 0.000 0.506 138 D N 0.293 120.684 120.400 -0.014 0.000 2.347 138 D HA 0.298 4.939 4.640 0.000 0.000 0.235 138 D C 1.361 177.556 176.300 -0.174 0.000 1.149 138 D CA -0.477 53.488 54.000 -0.059 0.000 0.850 138 D CB 1.309 42.071 40.800 -0.064 0.000 1.061 138 D HN 0.371 nan 8.370 nan 0.000 0.487 139 I N 3.759 124.153 120.570 -0.293 0.000 2.830 139 I HA -0.182 3.988 4.170 0.000 0.000 0.263 139 I C 1.487 177.195 176.117 -0.681 0.000 1.230 139 I CA 0.470 61.360 61.300 -0.683 0.000 1.480 139 I CB 0.486 37.754 38.000 -1.221 0.000 1.095 139 I HN 0.239 nan 8.210 nan 0.000 0.455 140 V N 0.896 120.617 119.914 -0.322 0.000 2.239 140 V HA -0.261 3.859 4.120 0.000 0.000 0.242 140 V C 2.627 178.655 176.094 -0.111 0.000 1.038 140 V CA 2.413 64.635 62.300 -0.130 0.000 1.002 140 V CB -1.118 30.671 31.823 -0.058 0.000 0.641 140 V HN 0.587 nan 8.190 nan 0.000 0.449 141 T N -1.736 112.756 114.554 -0.102 0.000 2.759 141 T HA -0.201 4.150 4.350 0.000 0.000 0.269 141 T C 1.623 176.280 174.700 -0.072 0.000 1.042 141 T CA 1.464 63.524 62.100 -0.065 0.000 1.140 141 T CB -0.281 68.555 68.868 -0.053 0.000 0.864 141 T HN 0.383 nan 8.240 nan 0.000 0.455 142 E N 0.035 120.155 120.200 -0.134 0.000 2.385 142 E HA 0.240 4.590 4.350 0.000 0.000 0.194 142 E C 1.576 178.066 176.600 -0.183 0.000 1.013 142 E CA 0.378 56.690 56.400 -0.147 0.000 0.866 142 E CB 0.389 29.987 29.700 -0.171 0.000 0.832 142 E HN 0.488 nan 8.360 nan 0.000 0.500 143 L N -2.263 118.826 121.223 -0.223 0.000 2.463 143 L HA 0.154 4.494 4.340 0.000 0.000 0.208 143 L C 1.221 178.143 176.870 0.087 0.000 1.082 143 L CA 0.503 55.244 54.840 -0.165 0.000 0.997 143 L CB -0.441 41.358 42.059 -0.433 0.000 1.953 143 L HN -0.191 nan 8.230 nan 0.000 0.499 144 F N 1.164 121.083 119.950 -0.053 0.000 2.367 144 F HA 0.132 4.660 4.527 0.002 0.000 0.298 144 F C 2.406 178.188 175.800 -0.029 0.000 1.094 144 F CA 1.179 59.150 58.000 -0.049 0.000 1.409 144 F CB -0.791 38.145 39.000 -0.107 0.000 1.064 144 F HN 0.168 nan 8.300 nan 0.000 0.528 145 K N 1.018 121.505 120.400 0.145 0.000 1.973 145 K HA -0.119 4.201 4.320 0.000 0.000 0.212 145 K C -0.637 175.999 176.600 0.060 0.000 1.047 145 K CA 1.628 57.957 56.287 0.069 0.000 0.937 145 K CB -1.209 31.307 32.500 0.026 0.000 0.721 145 K HN 0.046 nan 8.250 nan 0.000 0.440 146 P HA -0.144 nan 4.420 nan 0.000 0.219 146 P C 1.522 178.790 177.300 -0.053 0.000 1.150 146 P CA 0.841 63.973 63.100 0.052 0.000 0.814 146 P CB -0.047 31.767 31.700 0.189 0.000 0.787 147 L N 1.746 123.021 121.223 0.087 0.000 1.990 147 L HA -0.089 4.251 4.340 0.000 0.000 0.213 147 L C -0.855 175.952 176.870 -0.106 0.000 1.072 147 L CA 2.942 57.770 54.840 -0.020 0.000 0.755 147 L CB -2.449 39.755 42.059 0.242 0.000 0.889 147 L HN 0.006 nan 8.230 nan 0.000 0.432 148 P HA -0.122 nan 4.420 nan 0.000 0.220 148 P C 1.976 179.222 177.300 -0.092 0.000 1.148 148 P CA 1.570 64.639 63.100 -0.052 0.000 0.803 148 P CB -0.145 31.539 31.700 -0.027 0.000 0.782 149 S N -0.756 114.873 115.700 -0.118 0.000 2.382 149 S HA -0.154 4.317 4.470 0.000 0.000 0.228 149 S C 1.859 176.339 174.600 -0.200 0.000 1.027 149 S CA 1.361 59.493 58.200 -0.112 0.000 0.991 149 S CB -0.851 62.264 63.200 -0.142 0.000 0.823 149 S HN 0.004 nan 8.310 nan 0.000 0.469 150 M N 0.419 119.788 119.600 -0.385 0.000 2.159 150 M HA -0.061 4.419 4.480 0.000 0.000 0.263 150 M C 2.074 177.979 176.300 -0.659 0.000 1.063 150 M CA 1.208 56.048 55.300 -0.767 0.000 1.110 150 M CB -0.524 31.681 32.600 -0.659 0.000 1.374 150 M HN 0.183 nan 8.290 nan 0.000 0.411 151 V N -0.350 119.396 119.914 -0.279 0.000 2.358 151 V HA -0.181 3.939 4.120 0.000 0.000 0.246 151 V C 2.397 178.550 176.094 0.097 0.000 1.047 151 V CA 1.436 63.709 62.300 -0.045 0.000 1.035 151 V CB -0.576 31.271 31.823 0.040 0.000 0.658 151 V HN 0.273 nan 8.190 nan 0.000 0.452 152 V N 0.481 120.405 119.914 0.015 0.000 2.287 152 V HA -0.306 3.815 4.120 0.000 0.000 0.248 152 V C 2.765 178.851 176.094 -0.013 0.000 1.053 152 V CA 2.132 64.472 62.300 0.067 0.000 1.027 152 V CB -1.219 30.653 31.823 0.081 0.000 0.646 152 V HN 0.565 nan 8.190 nan 0.000 0.447 153 A N -0.739 121.930 122.820 -0.252 0.000 1.892 153 A HA -0.349 3.971 4.320 0.000 0.000 0.218 153 A C 2.251 179.690 177.584 -0.242 0.000 1.188 153 A CA 2.349 53.998 52.037 -0.646 0.000 0.631 153 A CB -1.052 17.191 19.000 -1.261 0.000 0.822 153 A HN 0.754 nan 8.150 nan 0.000 0.447 154 H N -2.252 116.658 119.070 -0.268 0.000 2.319 154 H HA -0.211 4.346 4.556 0.000 0.000 0.299 154 H C 1.935 177.198 175.328 -0.108 0.000 1.092 154 H CA 2.321 58.345 56.048 -0.041 0.000 1.302 154 H CB -0.192 29.524 29.762 -0.076 0.000 1.373 154 H HN 0.591 nan 8.280 nan 0.000 0.497 155 Y N 0.577 120.785 120.300 -0.153 0.000 2.352 155 Y HA -0.081 4.469 4.550 0.000 0.000 0.292 155 Y C 2.532 178.345 175.900 -0.146 0.000 1.136 155 Y CA 0.697 58.649 58.100 -0.246 0.000 1.227 155 Y CB 0.080 38.434 38.460 -0.176 0.000 0.991 155 Y HN 0.170 nan 8.280 nan 0.000 0.545 156 L N -1.175 120.083 121.223 0.058 0.000 2.591 156 L HA 0.196 4.536 4.340 0.000 0.000 0.228 156 L C 1.548 178.506 176.870 0.148 0.000 1.133 156 L CA 0.542 55.467 54.840 0.142 0.000 0.880 156 L CB -0.507 41.643 42.059 0.152 0.000 1.033 156 L HN 0.353 nan 8.230 nan 0.000 0.450 157 G N 0.772 109.584 108.800 0.020 0.000 2.198 157 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 157 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 157 G C 0.187 175.147 174.900 0.100 0.000 1.025 157 G CA 0.134 45.252 45.100 0.029 0.000 0.769 157 G HN 0.140 nan 8.290 nan 0.000 0.507 158 V N 1.946 121.938 119.914 0.130 0.000 2.470 158 V HA 0.314 4.434 4.120 0.000 0.000 0.276 158 V C -1.179 175.090 176.094 0.291 0.000 1.040 158 V CA -1.283 61.113 62.300 0.161 0.000 1.008 158 V CB 1.062 32.832 31.823 -0.088 0.000 0.990 158 V HN 0.219 nan 8.190 nan 0.000 0.477 159 P HA 0.058 nan 4.420 nan 0.000 0.268 159 P C 0.792 177.890 177.300 -0.337 0.000 1.204 159 P CA 0.038 63.110 63.100 -0.047 0.000 0.768 159 P CB 0.704 32.380 31.700 -0.040 0.000 0.842 160 E N 2.527 122.267 120.200 -0.768 0.000 2.219 160 E HA -0.265 4.085 4.350 0.000 0.000 0.198 160 E C 1.405 177.482 176.600 -0.871 0.000 0.998 160 E CA 1.491 56.893 56.400 -1.663 0.000 0.818 160 E CB 0.072 29.000 29.700 -1.287 0.000 0.741 160 E HN 0.598 nan 8.360 nan 0.000 0.477 161 E N -0.398 119.551 120.200 -0.420 0.000 2.347 161 E HA -0.160 4.190 4.350 0.000 0.000 0.196 161 E C 0.884 177.417 176.600 -0.112 0.000 1.008 161 E CA 1.110 57.384 56.400 -0.209 0.000 0.852 161 E CB 0.124 29.747 29.700 -0.128 0.000 0.783 161 E HN 0.203 nan 8.360 nan 0.000 0.505 162 D N -0.404 119.951 120.400 -0.076 0.000 2.349 162 D HA -0.012 4.629 4.640 0.000 0.000 0.214 162 D C 0.660 176.992 176.300 0.053 0.000 1.063 162 D CA 0.010 53.998 54.000 -0.020 0.000 0.847 162 D CB -0.118 40.689 40.800 0.012 0.000 0.933 162 D HN 0.290 nan 8.370 nan 0.000 0.513 163 W N 1.560 122.776 121.300 -0.141 0.000 2.363 163 W HA -0.080 4.580 4.660 -0.001 0.000 0.296 163 W C 2.180 178.631 176.519 -0.114 0.000 1.212 163 W CA 0.749 58.035 57.345 -0.098 0.000 1.260 163 W CB -1.212 28.198 29.460 -0.083 0.000 1.131 163 W HN -0.048 nan 8.180 nan 0.000 0.530 164 T N -0.408 114.198 114.554 0.086 0.000 2.737 164 T HA -0.247 4.103 4.350 0.000 0.000 0.265 164 T C 1.768 176.347 174.700 -0.203 0.000 1.038 164 T CA 1.816 63.895 62.100 -0.035 0.000 1.144 164 T CB -0.219 68.637 68.868 -0.020 0.000 0.866 164 T HN 0.190 nan 8.240 nan 0.000 0.434 165 Q N -0.349 119.260 119.800 -0.319 0.000 2.079 165 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 165 Q C 2.044 177.268 176.000 -1.292 0.000 0.974 165 Q CA 1.364 56.763 55.803 -0.675 0.000 0.840 165 Q CB -0.276 28.095 28.738 -0.612 0.000 0.898 165 Q HN 0.561 nan 8.270 nan 0.000 0.430 166 F N 1.321 120.598 119.950 -1.121 0.000 2.134 166 F HA -0.200 4.327 4.527 0.000 0.000 0.299 166 F C 1.689 177.221 175.800 -0.446 0.000 1.097 166 F CA 2.106 59.592 58.000 -0.857 0.000 1.264 166 F CB -0.314 38.434 39.000 -0.421 0.000 1.001 166 F HN 0.209 nan 8.300 nan 0.000 0.479 167 D N -0.349 119.844 120.400 -0.345 0.000 2.144 167 D HA -0.098 4.543 4.640 0.000 0.000 0.199 167 D C 2.497 178.617 176.300 -0.299 0.000 0.984 167 D CA 1.478 55.292 54.000 -0.310 0.000 0.834 167 D CB -0.663 40.044 40.800 -0.155 0.000 0.955 167 D HN 0.355 nan 8.370 nan 0.000 0.465 168 G N 0.121 108.722 108.800 -0.332 0.000 2.459 168 G HA2 -0.272 3.689 3.960 0.000 0.000 0.217 168 G HA3 -0.272 3.689 3.960 0.000 0.000 0.217 168 G C 1.192 176.027 174.900 -0.107 0.000 1.183 168 G CA 0.892 45.857 45.100 -0.224 0.000 0.776 168 G HN 0.288 nan 8.290 nan 0.000 0.552 169 W N 1.144 122.340 121.300 -0.172 0.000 2.358 169 W HA 0.010 4.670 4.660 0.000 0.000 0.303 169 W C 2.752 179.111 176.519 -0.266 0.000 1.208 169 W CA 1.318 58.554 57.345 -0.181 0.000 1.274 169 W CB -1.597 27.753 29.460 -0.182 0.000 1.138 169 W HN 0.142 nan 8.180 nan 0.000 0.515 170 T N 0.928 115.335 114.554 -0.245 0.000 2.684 170 T HA -0.217 4.134 4.350 0.000 0.000 0.267 170 T C 1.844 176.450 174.700 -0.156 0.000 1.036 170 T CA 1.880 63.787 62.100 -0.321 0.000 1.148 170 T CB -0.303 68.255 68.868 -0.517 0.000 0.863 170 T HN 0.003 nan 8.240 nan 0.000 0.436 171 Q N 0.801 120.527 119.800 -0.123 0.000 2.135 171 Q HA 0.030 4.370 4.340 0.000 0.000 0.204 171 Q C 2.625 178.612 176.000 -0.022 0.000 0.981 171 Q CA 1.552 57.316 55.803 -0.064 0.000 0.856 171 Q CB -0.868 27.837 28.738 -0.054 0.000 0.902 171 Q HN 0.598 nan 8.270 nan 0.000 0.425 172 A N 0.550 123.371 122.820 0.002 0.000 1.898 172 A HA -0.123 4.197 4.320 0.000 0.000 0.216 172 A C 2.210 179.815 177.584 0.036 0.000 1.181 172 A CA 1.079 53.137 52.037 0.034 0.000 0.620 172 A CB -0.596 18.445 19.000 0.069 0.000 0.819 172 A HN 0.305 nan 8.150 nan 0.000 0.442 173 I N -0.518 120.069 120.570 0.028 0.000 2.202 173 I HA -0.196 3.974 4.170 0.000 0.000 0.242 173 I C 2.343 178.479 176.117 0.031 0.000 1.091 173 I CA 1.080 62.407 61.300 0.045 0.000 1.368 173 I CB -0.330 37.685 38.000 0.025 0.000 1.058 173 I HN 0.138 nan 8.210 nan 0.000 0.410 174 V N 1.103 121.015 119.914 -0.005 0.000 2.392 174 V HA -0.322 3.798 4.120 0.000 0.000 0.249 174 V C 2.684 178.793 176.094 0.024 0.000 1.059 174 V CA 2.041 64.342 62.300 0.002 0.000 1.051 174 V CB -1.070 30.739 31.823 -0.022 0.000 0.658 174 V HN 0.509 nan 8.190 nan 0.000 0.455 175 A N -0.039 122.795 122.820 0.022 0.000 1.898 175 A HA -0.078 4.242 4.320 0.000 0.000 0.216 175 A C 2.443 180.054 177.584 0.045 0.000 1.181 175 A CA 1.937 53.994 52.037 0.033 0.000 0.620 175 A CB -0.789 18.227 19.000 0.027 0.000 0.819 175 A HN 0.569 nan 8.150 nan 0.000 0.442 176 A N -0.259 122.589 122.820 0.047 0.000 1.940 176 A HA -0.118 4.203 4.320 0.000 0.000 0.219 176 A C 2.020 179.639 177.584 0.059 0.000 1.176 176 A CA 2.200 54.269 52.037 0.053 0.000 0.631 176 A CB -1.556 17.478 19.000 0.057 0.000 0.814 176 A HN 0.890 nan 8.150 nan 0.000 0.446 177 N N -0.039 118.698 118.700 0.063 0.000 2.515 177 N HA 0.451 5.192 4.740 0.000 0.000 0.185 177 N C 1.005 176.565 175.510 0.083 0.000 1.109 177 N CA 1.113 54.205 53.050 0.070 0.000 0.903 177 N CB -0.594 37.934 38.487 0.069 0.000 0.969 177 N HN 0.903 nan 8.380 nan 0.000 0.450 186 A N 0.409 123.259 122.820 0.049 0.000 2.959 186 A HA 0.659 4.979 4.320 0.000 0.000 0.280 186 A C 1.211 178.827 177.584 0.053 0.000 0.953 186 A CA -0.215 51.857 52.037 0.059 0.000 1.047 186 A CB -0.002 19.046 19.000 0.079 0.000 1.147 186 A HN 0.237 nan 8.150 nan 0.000 0.489 187 L N -0.235 121.009 121.223 0.036 0.000 2.042 187 L HA -0.156 4.184 4.340 0.000 0.000 0.210 187 L C 1.911 178.791 176.870 0.017 0.000 1.076 187 L CA 2.062 56.915 54.840 0.022 0.000 0.749 187 L CB -0.333 41.734 42.059 0.014 0.000 0.893 187 L HN 0.439 nan 8.230 nan 0.000 0.432 188 D N -0.808 119.605 120.400 0.022 0.000 2.117 188 D HA -0.100 4.541 4.640 0.000 0.000 0.198 188 D C 2.225 178.511 176.300 -0.023 0.000 0.982 188 D CA 1.423 55.429 54.000 0.010 0.000 0.828 188 D CB -0.056 40.765 40.800 0.035 0.000 0.967 188 D HN 0.314 nan 8.370 nan 0.000 0.464 189 A N 0.521 123.351 122.820 0.017 0.000 1.930 189 A HA -0.111 4.210 4.320 0.000 0.000 0.217 189 A C 2.511 180.055 177.584 -0.067 0.000 1.175 189 A CA 1.028 53.062 52.037 -0.006 0.000 0.627 189 A CB -0.634 18.438 19.000 0.121 0.000 0.815 189 A HN 0.134 nan 8.150 nan 0.000 0.443 190 V N -0.060 119.889 119.914 0.058 0.000 2.295 190 V HA -0.182 3.939 4.120 0.000 0.000 0.246 190 V C 2.851 178.985 176.094 0.066 0.000 1.049 190 V CA 1.989 64.398 62.300 0.181 0.000 1.024 190 V CB -1.501 30.394 31.823 0.121 0.000 0.648 190 V HN 0.595 nan 8.190 nan 0.000 0.447 191 G N -0.512 108.275 108.800 -0.022 0.000 2.446 191 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 191 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 191 G C 1.865 176.684 174.900 -0.135 0.000 1.168 191 G CA 1.308 46.378 45.100 -0.051 0.000 0.771 191 G HN 0.504 nan 8.290 nan 0.000 0.551 192 S N -0.024 115.491 115.700 -0.309 0.000 2.359 192 S HA -0.134 4.337 4.470 0.000 0.000 0.224 192 S C 2.252 176.372 174.600 -0.801 0.000 1.035 192 S CA 1.589 59.418 58.200 -0.618 0.000 1.018 192 S CB -0.301 62.240 63.200 -1.099 0.000 0.876 192 S HN 0.421 nan 8.310 nan 0.000 0.448 193 M N 0.242 119.420 119.600 -0.704 0.000 2.175 193 M HA -0.051 4.430 4.480 0.000 0.000 0.264 193 M C 2.121 178.579 176.300 0.263 0.000 1.063 193 M CA 1.385 56.560 55.300 -0.208 0.000 1.119 193 M CB -0.155 32.478 32.600 0.056 0.000 1.377 193 M HN 0.289 nan 8.290 nan 0.000 0.415 194 M N -0.417 119.310 119.600 0.211 0.000 2.117 194 M HA -0.158 4.323 4.480 0.000 0.000 0.262 194 M C 2.186 178.594 176.300 0.181 0.000 1.065 194 M CA 2.009 57.459 55.300 0.251 0.000 1.114 194 M CB -0.339 32.343 32.600 0.137 0.000 1.361 194 M HN 0.444 nan 8.290 nan 0.000 0.408 195 A N -0.953 121.910 122.820 0.073 0.000 1.877 195 A HA -0.237 4.083 4.320 0.000 0.000 0.216 195 A C 1.999 179.627 177.584 0.073 0.000 1.186 195 A CA 1.626 53.694 52.037 0.052 0.000 0.620 195 A CB -1.218 17.787 19.000 0.007 0.000 0.822 195 A HN 0.625 nan 8.150 nan 0.000 0.443 196 Y N -0.819 119.454 120.300 -0.045 0.000 2.145 196 Y HA -0.224 4.327 4.550 0.001 0.000 0.286 196 Y C 1.990 177.836 175.900 -0.090 0.000 1.145 196 Y CA 2.147 60.219 58.100 -0.047 0.000 1.148 196 Y CB -0.413 38.041 38.460 -0.009 0.000 0.981 196 Y HN 0.265 nan 8.280 nan 0.000 0.507 197 F N -0.094 120.025 119.950 0.281 0.000 2.186 197 F HA -0.189 4.339 4.527 0.000 0.000 0.299 197 F C 2.473 178.322 175.800 0.082 0.000 1.090 197 F CA 1.891 60.016 58.000 0.209 0.000 1.307 197 F CB -1.018 38.160 39.000 0.298 0.000 1.019 197 F HN -0.036 nan 8.300 nan 0.000 0.489 198 T N -0.696 113.978 114.554 0.201 0.000 2.720 198 T HA -0.172 4.178 4.350 0.000 0.000 0.268 198 T C 2.354 177.069 174.700 0.025 0.000 1.037 198 T CA 1.489 63.658 62.100 0.114 0.000 1.144 198 T CB -0.998 67.923 68.868 0.089 0.000 0.864 198 T HN 0.445 nan 8.240 nan 0.000 0.444 199 G N 1.057 109.820 108.800 -0.061 0.000 2.408 199 G HA2 -0.104 3.856 3.960 0.000 0.000 0.217 199 G HA3 -0.104 3.856 3.960 0.000 0.000 0.217 199 G C 1.498 176.294 174.900 -0.172 0.000 1.150 199 G CA 0.518 45.539 45.100 -0.132 0.000 0.776 199 G HN 0.404 nan 8.290 nan 0.000 0.542 200 L N 0.714 121.785 121.223 -0.254 0.000 2.093 200 L HA 0.176 4.516 4.340 0.000 0.000 0.208 200 L C 2.620 179.469 176.870 -0.035 0.000 1.085 200 L CA 1.152 55.868 54.840 -0.205 0.000 0.755 200 L CB -0.434 41.456 42.059 -0.282 0.000 0.904 200 L HN 0.243 nan 8.230 nan 0.000 0.435 201 I N -0.329 120.269 120.570 0.046 0.000 2.163 201 I HA -0.329 3.841 4.170 0.000 0.000 0.243 201 I C 2.521 178.653 176.117 0.025 0.000 1.085 201 I CA 1.723 63.068 61.300 0.075 0.000 1.347 201 I CB -0.329 37.744 38.000 0.122 0.000 1.044 201 I HN 0.405 nan 8.210 nan 0.000 0.408 202 E N 1.058 121.261 120.200 0.005 0.000 2.058 202 E HA -0.298 4.053 4.350 0.000 0.000 0.194 202 E C 2.414 178.999 176.600 -0.024 0.000 0.997 202 E CA 1.371 57.765 56.400 -0.010 0.000 0.801 202 E CB -0.078 29.612 29.700 -0.017 0.000 0.746 202 E HN 0.259 nan 8.360 nan 0.000 0.450 203 R N -0.067 120.408 120.500 -0.042 0.000 2.096 203 R HA -0.086 4.254 4.340 0.000 0.000 0.235 203 R C 2.010 178.286 176.300 -0.039 0.000 1.127 203 R CA 1.042 57.112 56.100 -0.049 0.000 0.968 203 R CB 0.035 30.290 30.300 -0.075 0.000 0.861 203 R HN 0.055 nan 8.270 nan 0.000 0.440 204 R N 0.553 121.035 120.500 -0.030 0.000 2.285 204 R HA -0.046 4.294 4.340 0.000 0.000 0.213 204 R C 1.992 178.271 176.300 -0.036 0.000 1.068 204 R CA 0.705 56.785 56.100 -0.032 0.000 1.004 204 R CB -0.387 29.902 30.300 -0.018 0.000 0.873 204 R HN 0.343 nan 8.270 nan 0.000 0.467 205 R N -0.209 120.275 120.500 -0.027 0.000 2.081 205 R HA -0.084 4.256 4.340 0.000 0.000 0.235 205 R C 1.850 178.131 176.300 -0.032 0.000 1.131 205 R CA 2.039 58.123 56.100 -0.026 0.000 0.960 205 R CB -0.206 30.084 30.300 -0.017 0.000 0.856 205 R HN 0.334 nan 8.270 nan 0.000 0.436 206 T N -2.591 111.943 114.554 -0.032 0.000 2.990 206 T HA 0.118 4.469 4.350 0.000 0.000 0.250 206 T C 0.384 175.061 174.700 -0.038 0.000 1.041 206 T CA -0.112 61.969 62.100 -0.032 0.000 1.010 206 T CB 0.389 69.241 68.868 -0.028 0.000 1.003 206 T HN 0.156 nan 8.240 nan 0.000 0.499 207 E N 3.072 123.247 120.200 -0.043 0.000 3.037 207 E HA 0.305 4.655 4.350 0.000 0.000 0.220 207 E C -2.865 173.700 176.600 -0.058 0.000 1.142 207 E CA -2.195 54.176 56.400 -0.047 0.000 0.888 207 E CB 1.267 30.940 29.700 -0.044 0.000 1.329 207 E HN 0.366 nan 8.360 nan 0.000 0.409 208 P HA 0.133 nan 4.420 nan 0.000 0.271 208 P C -0.591 176.647 177.300 -0.103 0.000 1.218 208 P CA 0.067 63.106 63.100 -0.100 0.000 0.780 208 P CB 1.486 33.114 31.700 -0.119 0.000 0.901 209 A N 1.924 124.670 122.820 -0.124 0.000 2.726 209 A HA 0.505 4.825 4.320 0.000 0.000 0.248 209 A C 0.387 177.877 177.584 -0.156 0.000 1.249 209 A CA -0.319 51.651 52.037 -0.111 0.000 0.846 209 A CB 0.235 19.186 19.000 -0.082 0.000 1.391 209 A HN 0.374 nan 8.150 nan 0.000 0.497 210 D N 0.658 120.989 120.400 -0.116 0.000 2.349 210 D HA 0.076 4.716 4.640 0.000 0.000 0.214 210 D C -0.158 176.131 176.300 -0.019 0.000 1.063 210 D CA 0.201 54.159 54.000 -0.069 0.000 0.847 210 D CB 0.067 40.842 40.800 -0.041 0.000 0.933 210 D HN 0.639 nan 8.370 nan 0.000 0.513 211 D N -0.285 120.064 120.400 -0.085 0.000 2.411 211 D HA 0.159 4.799 4.640 0.000 0.000 0.251 211 D C 1.214 177.542 176.300 0.047 0.000 1.201 211 D CA -0.459 53.488 54.000 -0.088 0.000 0.996 211 D CB 1.431 42.154 40.800 -0.128 0.000 1.101 211 D HN -0.109 nan 8.370 nan 0.000 0.504 212 A N 0.734 123.564 122.820 0.017 0.000 1.908 212 A HA -0.144 4.176 4.320 0.000 0.000 0.218 212 A C 2.393 180.007 177.584 0.049 0.000 1.181 212 A CA 1.104 53.177 52.037 0.059 0.000 0.627 212 A CB -0.768 18.348 19.000 0.193 0.000 0.818 212 A HN 0.662 nan 8.150 nan 0.000 0.445 213 I N -0.318 120.333 120.570 0.135 0.000 2.179 213 I HA -0.225 3.945 4.170 0.000 0.000 0.242 213 I C 2.691 178.832 176.117 0.041 0.000 1.088 213 I CA 1.490 62.870 61.300 0.133 0.000 1.357 213 I CB -0.434 37.709 38.000 0.237 0.000 1.051 213 I HN 0.254 nan 8.210 nan 0.000 0.409 214 S N -0.307 115.391 115.700 -0.004 0.000 2.374 214 S HA -0.245 4.225 4.470 0.000 0.000 0.227 214 S C 1.938 176.442 174.600 -0.160 0.000 1.037 214 S CA 1.268 59.409 58.200 -0.098 0.000 1.024 214 S CB -0.558 62.546 63.200 -0.160 0.000 0.861 214 S HN 0.446 nan 8.310 nan 0.000 0.456 215 H N 0.900 119.922 119.070 -0.079 0.000 2.353 215 H HA 0.048 4.604 4.556 0.000 0.000 0.300 215 H C 2.182 177.426 175.328 -0.140 0.000 1.090 215 H CA 1.173 57.155 56.048 -0.109 0.000 1.327 215 H CB -0.409 29.277 29.762 -0.126 0.000 1.383 215 H HN 0.317 nan 8.280 nan 0.000 0.508 216 L N -0.146 121.037 121.223 -0.067 0.000 2.017 216 L HA -0.161 4.179 4.340 0.000 0.000 0.208 216 L C 2.746 179.580 176.870 -0.060 0.000 1.073 216 L CA 0.745 55.505 54.840 -0.134 0.000 0.745 216 L CB -0.452 41.497 42.059 -0.184 0.000 0.894 216 L HN 0.035 nan 8.230 nan 0.000 0.432 217 V N 0.085 119.979 119.914 -0.032 0.000 2.343 217 V HA -0.295 3.825 4.120 0.000 0.000 0.247 217 V C 2.729 178.803 176.094 -0.033 0.000 1.051 217 V CA 1.789 64.079 62.300 -0.017 0.000 1.036 217 V CB -0.951 30.868 31.823 -0.007 0.000 0.654 217 V HN 0.497 nan 8.190 nan 0.000 0.451 218 A N -0.181 122.605 122.820 -0.057 0.000 2.076 218 A HA -0.023 4.297 4.320 0.000 0.000 0.220 218 A C 2.117 179.681 177.584 -0.035 0.000 1.160 218 A CA 1.770 53.772 52.037 -0.057 0.000 0.653 218 A CB -0.472 18.470 19.000 -0.097 0.000 0.801 218 A HN 0.618 nan 8.150 nan 0.000 0.455 219 A N -2.005 120.795 122.820 -0.033 0.000 2.307 219 A HA 0.452 4.773 4.320 0.000 0.000 0.218 219 A C 1.596 179.167 177.584 -0.022 0.000 1.228 219 A CA 1.008 53.028 52.037 -0.029 0.000 0.857 219 A CB -0.792 18.180 19.000 -0.047 0.000 0.897 219 A HN 1.809 nan 8.150 nan 0.000 0.495 220 G N -1.381 107.410 108.800 -0.016 0.000 2.157 220 G HA2 -0.197 3.763 3.960 0.000 0.000 0.239 220 G HA3 -0.197 3.763 3.960 0.000 0.000 0.239 220 G C 0.148 175.052 174.900 0.007 0.000 0.982 220 G CA 0.005 45.102 45.100 -0.005 0.000 0.650 220 G HN 0.785 nan 8.290 nan 0.000 0.527 221 V N 0.636 120.555 119.914 0.007 0.000 2.479 221 V HA 0.502 4.622 4.120 0.000 0.000 0.281 221 V C 1.831 177.952 176.094 0.045 0.000 1.031 221 V CA 1.348 63.669 62.300 0.034 0.000 1.038 221 V CB 0.595 32.442 31.823 0.041 0.000 0.981 221 V HN 1.932 nan 8.190 nan 0.000 0.478 222 G N 3.680 112.511 108.800 0.051 0.000 2.176 222 G HA2 -0.133 3.827 3.960 0.000 0.000 0.253 222 G HA3 -0.133 3.827 3.960 0.000 0.000 0.253 222 G C 0.502 175.423 174.900 0.036 0.000 0.979 222 G CA 0.195 45.326 45.100 0.052 0.000 0.641 222 G HN 1.501 nan 8.290 nan 0.000 0.530 223 A N -0.209 122.627 122.820 0.026 0.000 2.507 223 A HA 0.558 4.878 4.320 0.000 0.000 0.235 223 A C 1.414 179.008 177.584 0.017 0.000 1.070 223 A CA 2.067 54.114 52.037 0.017 0.000 0.768 223 A CB -0.555 18.451 19.000 0.011 0.000 1.011 223 A HN 2.374 nan 8.150 nan 0.000 0.502 224 D N -0.518 119.889 120.400 0.013 0.000 2.718 224 D HA 0.325 4.965 4.640 0.000 0.000 0.242 224 D C 1.934 178.242 176.300 0.014 0.000 1.123 224 D CA 1.608 55.615 54.000 0.011 0.000 0.690 224 D CB -1.931 38.875 40.800 0.010 0.000 1.059 224 D HN 2.734 nan 8.370 nan 0.000 0.429 225 G N -0.135 108.675 108.800 0.016 0.000 2.258 225 G HA2 -0.106 3.854 3.960 0.000 0.000 0.274 225 G HA3 -0.106 3.854 3.960 0.000 0.000 0.274 225 G C 0.245 175.157 174.900 0.021 0.000 1.021 225 G CA 0.986 46.097 45.100 0.018 0.000 0.798 225 G HN 1.483 nan 8.290 nan 0.000 0.507 226 D N 0.249 120.664 120.400 0.024 0.000 2.470 226 D HA 0.392 5.033 4.640 0.000 0.000 0.226 226 D C 1.796 178.116 176.300 0.032 0.000 1.196 226 D CA 0.471 54.487 54.000 0.027 0.000 0.979 226 D CB -0.043 40.775 40.800 0.029 0.000 1.059 226 D HN 0.139 nan 8.370 nan 0.000 0.515 227 T N 1.772 116.343 114.554 0.028 0.000 2.759 227 T HA -0.163 4.187 4.350 0.000 0.000 0.269 227 T C 1.898 176.618 174.700 0.034 0.000 1.042 227 T CA 1.427 63.545 62.100 0.031 0.000 1.140 227 T CB -0.064 68.818 68.868 0.023 0.000 0.864 227 T HN 0.506 nan 8.240 nan 0.000 0.455 228 A N 1.540 124.377 122.820 0.029 0.000 1.883 228 A HA 0.060 4.380 4.320 0.000 0.000 0.217 228 A C 2.668 180.277 177.584 0.043 0.000 1.186 228 A CA 1.927 53.980 52.037 0.027 0.000 0.624 228 A CB -1.420 17.592 19.000 0.020 0.000 0.822 228 A HN 0.520 nan 8.150 nan 0.000 0.444 229 G N -1.427 107.405 108.800 0.053 0.000 2.422 229 G HA2 -0.120 3.841 3.960 0.000 0.000 0.218 229 G HA3 -0.120 3.841 3.960 0.000 0.000 0.218 229 G C 1.556 176.516 174.900 0.100 0.000 1.146 229 G CA 1.628 46.775 45.100 0.078 0.000 0.769 229 G HN 0.441 nan 8.290 nan 0.000 0.547 230 T N 1.114 115.718 114.554 0.083 0.000 2.737 230 T HA -0.117 4.233 4.350 0.000 0.000 0.265 230 T C 2.249 177.017 174.700 0.113 0.000 1.038 230 T CA 1.149 63.309 62.100 0.099 0.000 1.144 230 T CB -0.271 68.645 68.868 0.080 0.000 0.866 230 T HN 0.131 nan 8.240 nan 0.000 0.434 231 L N 2.068 123.339 121.223 0.079 0.000 2.043 231 L HA -0.140 4.200 4.340 0.000 0.000 0.212 231 L C 2.600 179.516 176.870 0.077 0.000 1.075 231 L CA 2.228 57.105 54.840 0.062 0.000 0.752 231 L CB -0.932 41.141 42.059 0.023 0.000 0.891 231 L HN 0.373 nan 8.230 nan 0.000 0.432 232 S N -0.881 114.870 115.700 0.085 0.000 2.382 232 S HA -0.192 4.278 4.470 0.000 0.000 0.228 232 S C 2.032 176.783 174.600 0.252 0.000 1.027 232 S CA 1.548 59.799 58.200 0.084 0.000 0.991 232 S CB -0.989 62.260 63.200 0.081 0.000 0.823 232 S HN 0.540 nan 8.310 nan 0.000 0.469 233 I N 1.392 122.140 120.570 0.297 0.000 2.252 233 I HA -0.107 4.063 4.170 0.000 0.000 0.245 233 I C 2.443 178.765 176.117 0.341 0.000 1.102 233 I CA 1.044 62.563 61.300 0.364 0.000 1.385 233 I CB -0.477 37.682 38.000 0.266 0.000 1.064 233 I HN 0.263 nan 8.210 nan 0.000 0.414 234 L N 0.731 122.103 121.223 0.249 0.000 2.083 234 L HA -0.202 4.138 4.340 0.000 0.000 0.209 234 L C 2.871 179.902 176.870 0.268 0.000 1.083 234 L CA 1.359 56.346 54.840 0.245 0.000 0.752 234 L CB -0.772 41.405 42.059 0.196 0.000 0.899 234 L HN 0.251 nan 8.230 nan 0.000 0.433 235 A N -0.231 122.700 122.820 0.185 0.000 1.933 235 A HA -0.252 4.068 4.320 0.000 0.000 0.218 235 A C 2.163 179.877 177.584 0.217 0.000 1.175 235 A CA 1.358 53.477 52.037 0.136 0.000 0.628 235 A CB -0.755 18.259 19.000 0.023 0.000 0.814 235 A HN 0.408 nan 8.150 nan 0.000 0.444 236 F N 1.563 121.598 119.950 0.141 0.000 2.134 236 F HA -0.139 4.388 4.527 0.001 0.000 0.299 236 F C 2.380 178.259 175.800 0.132 0.000 1.097 236 F CA 2.199 60.316 58.000 0.193 0.000 1.264 236 F CB -0.836 38.383 39.000 0.365 0.000 1.001 236 F HN 0.201 nan 8.300 nan 0.000 0.479 237 T N 0.563 115.092 114.554 -0.041 0.000 2.720 237 T HA -0.221 4.129 4.350 0.000 0.000 0.268 237 T C 1.848 176.355 174.700 -0.322 0.000 1.037 237 T CA 1.970 63.868 62.100 -0.337 0.000 1.144 237 T CB -0.753 67.813 68.868 -0.503 0.000 0.864 237 T HN 0.247 nan 8.240 nan 0.000 0.444 238 F N 1.510 121.359 119.950 -0.168 0.000 2.186 238 F HA -0.097 4.430 4.527 0.000 0.000 0.299 238 F C 2.839 178.568 175.800 -0.117 0.000 1.090 238 F CA 0.967 58.899 58.000 -0.113 0.000 1.307 238 F CB -0.935 38.027 39.000 -0.063 0.000 1.019 238 F HN 0.088 nan 8.300 nan 0.000 0.489 239 T N 0.370 114.937 114.554 0.023 0.000 2.665 239 T HA -0.256 4.094 4.350 0.000 0.000 0.268 239 T C 2.112 176.731 174.700 -0.135 0.000 1.035 239 T CA 1.496 63.572 62.100 -0.040 0.000 1.151 239 T CB -0.233 68.629 68.868 -0.010 0.000 0.862 239 T HN 0.081 nan 8.240 nan 0.000 0.438 240 M N 0.622 120.040 119.600 -0.302 0.000 2.080 240 M HA -0.065 4.415 4.480 0.000 0.000 0.260 240 M C 2.540 178.745 176.300 -0.158 0.000 1.068 240 M CA 1.277 56.411 55.300 -0.276 0.000 1.109 240 M CB -1.321 31.011 32.600 -0.447 0.000 1.342 240 M HN 0.149 nan 8.290 nan 0.000 0.405 241 V N 0.467 120.267 119.914 -0.189 0.000 2.307 241 V HA -0.224 3.897 4.120 0.000 0.000 0.245 241 V C 2.571 178.592 176.094 -0.122 0.000 1.045 241 V CA 2.277 64.470 62.300 -0.178 0.000 1.024 241 V CB -1.231 30.385 31.823 -0.345 0.000 0.651 241 V HN 0.627 nan 8.190 nan 0.000 0.449 242 T N -2.379 112.125 114.554 -0.082 0.000 3.043 242 T HA 0.051 4.401 4.350 0.000 0.000 0.263 242 T C 1.666 176.360 174.700 -0.011 0.000 1.094 242 T CA 1.160 63.248 62.100 -0.020 0.000 1.127 242 T CB 0.025 68.915 68.868 0.038 0.000 0.905 242 T HN 0.467 nan 8.240 nan 0.000 0.490 243 G N 0.225 109.010 108.800 -0.025 0.000 2.833 243 G HA2 0.409 4.369 3.960 0.000 0.000 0.210 243 G HA3 0.409 4.369 3.960 0.000 0.000 0.210 243 G C 1.353 176.245 174.900 -0.014 0.000 1.139 243 G CA 0.211 45.305 45.100 -0.010 0.000 0.771 243 G HN 0.583 nan 8.290 nan 0.000 0.535 244 G N -0.229 108.550 108.800 -0.035 0.000 3.020 244 G HA2 0.095 4.055 3.960 0.000 0.000 0.217 244 G HA3 0.095 4.055 3.960 0.000 0.000 0.217 244 G C 1.151 176.034 174.900 -0.029 0.000 1.144 244 G CA 0.033 45.112 45.100 -0.035 0.000 0.760 244 G HN 0.235 nan 8.290 nan 0.000 0.548 245 N N 1.183 119.865 118.700 -0.031 0.000 2.638 245 N HA -0.034 4.706 4.740 0.000 0.000 0.220 245 N C 1.729 177.227 175.510 -0.020 0.000 1.031 245 N CA 1.103 54.133 53.050 -0.033 0.000 1.062 245 N CB -0.071 38.384 38.487 -0.054 0.000 1.406 245 N HN 0.232 nan 8.380 nan 0.000 0.495 246 D N 1.307 121.699 120.400 -0.014 0.000 2.182 246 D HA -0.147 4.494 4.640 0.000 0.000 0.201 246 D C 1.723 178.018 176.300 -0.008 0.000 0.986 246 D CA 1.820 55.816 54.000 -0.006 0.000 0.847 246 D CB -1.029 39.776 40.800 0.008 0.000 0.942 246 D HN 0.358 nan 8.370 nan 0.000 0.467 247 T N -0.889 113.664 114.554 -0.002 0.000 2.708 247 T HA -0.144 4.206 4.350 0.000 0.000 0.266 247 T C 2.262 176.953 174.700 -0.015 0.000 1.037 247 T CA 1.637 63.737 62.100 -0.000 0.000 1.146 247 T CB -1.025 67.858 68.868 0.024 0.000 0.865 247 T HN 0.084 nan 8.240 nan 0.000 0.435 248 V N 2.034 121.940 119.914 -0.014 0.000 2.407 248 V HA -0.162 3.958 4.120 0.000 0.000 0.248 248 V C 3.032 179.075 176.094 -0.084 0.000 1.055 248 V CA 2.223 64.502 62.300 -0.036 0.000 1.049 248 V CB -1.352 30.457 31.823 -0.024 0.000 0.662 248 V HN 0.608 nan 8.190 nan 0.000 0.455 249 T N 0.299 114.820 114.554 -0.054 0.000 2.867 249 T HA -0.080 4.271 4.350 0.000 0.000 0.268 249 T C 1.893 176.538 174.700 -0.091 0.000 1.057 249 T CA 1.416 63.483 62.100 -0.054 0.000 1.136 249 T CB -0.458 68.410 68.868 0.000 0.000 0.874 249 T HN 0.621 nan 8.240 nan 0.000 0.466 250 G N 0.991 109.754 108.800 -0.061 0.000 2.403 250 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 250 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 250 G C 1.523 176.391 174.900 -0.054 0.000 1.154 250 G CA 0.551 45.632 45.100 -0.031 0.000 0.784 250 G HN 0.402 nan 8.290 nan 0.000 0.538 251 M N -0.006 119.538 119.600 -0.093 0.000 2.065 251 M HA -0.028 4.452 4.480 0.000 0.000 0.259 251 M C 2.525 178.693 176.300 -0.219 0.000 1.071 251 M CA 1.521 56.749 55.300 -0.119 0.000 1.109 251 M CB -0.253 32.285 32.600 -0.103 0.000 1.313 251 M HN 0.217 nan 8.290 nan 0.000 0.408 252 L N -0.580 120.402 121.223 -0.403 0.000 1.994 252 L HA -0.115 4.225 4.340 0.000 0.000 0.208 252 L C 2.706 179.100 176.870 -0.794 0.000 1.071 252 L CA 1.484 55.807 54.840 -0.862 0.000 0.745 252 L CB -1.453 39.674 42.059 -1.553 0.000 0.892 252 L HN 0.504 nan 8.230 nan 0.000 0.431 253 G N -0.466 108.054 108.800 -0.466 0.000 2.402 253 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 253 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 253 G C 1.577 176.455 174.900 -0.037 0.000 1.162 253 G CA 0.684 45.743 45.100 -0.067 0.000 0.777 253 G HN 0.495 nan 8.290 nan 0.000 0.539 254 G N 0.256 109.055 108.800 -0.001 0.000 2.471 254 G HA2 -0.038 3.922 3.960 0.000 0.000 0.219 254 G HA3 -0.038 3.922 3.960 0.000 0.000 0.219 254 G C 1.957 176.932 174.900 0.124 0.000 1.125 254 G CA 1.213 46.418 45.100 0.176 0.000 0.775 254 G HN 0.411 nan 8.290 nan 0.000 0.548 255 S N 0.328 116.037 115.700 0.016 0.000 2.461 255 S HA 0.016 4.487 4.470 0.000 0.000 0.228 255 S C 2.427 177.085 174.600 0.096 0.000 1.005 255 S CA 0.501 58.718 58.200 0.027 0.000 0.942 255 S CB -0.113 63.058 63.200 -0.049 0.000 0.776 255 S HN 0.181 nan 8.310 nan 0.000 0.514 256 M N 1.545 121.201 119.600 0.094 0.000 2.065 256 M HA -0.035 4.445 4.480 0.000 0.000 0.259 256 M C -0.856 175.640 176.300 0.328 0.000 1.069 256 M CA 1.443 56.839 55.300 0.161 0.000 1.110 256 M CB -2.693 29.972 32.600 0.108 0.000 1.328 256 M HN 0.138 nan 8.290 nan 0.000 0.405 257 P HA -0.087 nan 4.420 nan 0.000 0.217 257 P C 2.008 179.483 177.300 0.292 0.000 1.151 257 P CA 1.194 64.485 63.100 0.318 0.000 0.828 257 P CB -0.240 31.630 31.700 0.284 0.000 0.788 258 L N -1.130 120.226 121.223 0.222 0.000 2.013 258 L HA -0.187 4.154 4.340 0.000 0.000 0.212 258 L C 2.782 179.747 176.870 0.159 0.000 1.073 258 L CA 1.572 56.503 54.840 0.152 0.000 0.753 258 L CB -1.076 41.041 42.059 0.095 0.000 0.890 258 L HN -0.068 nan 8.230 nan 0.000 0.432 259 L N -1.569 119.792 121.223 0.230 0.000 2.162 259 L HA -0.162 4.178 4.340 0.000 0.000 0.205 259 L C 2.634 179.654 176.870 0.251 0.000 1.086 259 L CA 0.678 55.667 54.840 0.248 0.000 0.778 259 L CB -0.561 41.711 42.059 0.355 0.000 0.928 259 L HN 0.266 nan 8.230 nan 0.000 0.446 260 H N 1.402 120.636 119.070 0.273 0.000 2.387 260 H HA -0.198 4.359 4.556 0.001 0.000 0.299 260 H C 2.193 177.535 175.328 0.023 0.000 1.099 260 H CA 1.789 57.893 56.048 0.093 0.000 1.315 260 H CB 0.109 30.010 29.762 0.232 0.000 1.380 260 H HN 0.234 nan 8.280 nan 0.000 0.513 261 R N -0.585 119.880 120.500 -0.058 0.000 2.317 261 R HA 0.144 4.484 4.340 0.000 0.000 0.208 261 R C -0.220 176.019 176.300 -0.103 0.000 0.914 261 R CA -0.001 56.009 56.100 -0.149 0.000 1.060 261 R CB 0.449 30.756 30.300 0.013 0.000 1.015 261 R HN 0.027 nan 8.270 nan 0.000 0.498 262 R N 1.232 121.690 120.500 -0.071 0.000 2.629 262 R HA 0.249 4.589 4.340 0.000 0.000 0.277 262 R C -2.309 173.961 176.300 -0.049 0.000 1.637 262 R CA -2.122 53.951 56.100 -0.044 0.000 1.663 262 R CB 1.452 31.748 30.300 -0.007 0.000 1.228 262 R HN 0.067 nan 8.270 nan 0.000 0.632 263 P HA -0.162 nan 4.420 nan 0.000 0.220 263 P C 0.886 178.163 177.300 -0.038 0.000 1.148 263 P CA 1.138 64.193 63.100 -0.074 0.000 0.803 263 P CB 0.279 31.924 31.700 -0.093 0.000 0.782 264 D N -0.587 119.794 120.400 -0.031 0.000 2.178 264 D HA -0.197 4.444 4.640 0.000 0.000 0.201 264 D C 1.590 177.886 176.300 -0.006 0.000 0.980 264 D CA 1.174 55.164 54.000 -0.017 0.000 0.842 264 D CB -0.615 40.175 40.800 -0.016 0.000 0.948 264 D HN 0.142 nan 8.370 nan 0.000 0.472 265 Q N 0.538 120.336 119.800 -0.003 0.000 2.123 265 Q HA 0.053 4.393 4.340 0.000 0.000 0.196 265 Q C 2.482 178.496 176.000 0.024 0.000 0.958 265 Q CA 0.611 56.420 55.803 0.010 0.000 0.841 265 Q CB -0.212 28.534 28.738 0.012 0.000 0.915 265 Q HN 0.460 nan 8.270 nan 0.000 0.455 266 R N 0.590 121.107 120.500 0.029 0.000 2.091 266 R HA -0.135 4.205 4.340 0.000 0.000 0.238 266 R C 2.298 178.618 176.300 0.033 0.000 1.136 266 R CA 1.349 57.478 56.100 0.049 0.000 0.959 266 R CB -0.320 30.010 30.300 0.050 0.000 0.856 266 R HN 0.030 nan 8.270 nan 0.000 0.437 267 R N 1.493 122.001 120.500 0.013 0.000 2.103 267 R HA -0.146 4.194 4.340 0.000 0.000 0.242 267 R C 1.935 178.244 176.300 0.016 0.000 1.142 267 R CA 1.471 57.577 56.100 0.010 0.000 0.960 267 R CB -0.769 29.531 30.300 -0.001 0.000 0.858 267 R HN 0.090 nan 8.270 nan 0.000 0.439 268 L N 0.162 121.394 121.223 0.015 0.000 2.043 268 L HA -0.165 4.176 4.340 0.000 0.000 0.212 268 L C 2.257 179.140 176.870 0.022 0.000 1.075 268 L CA 1.700 56.549 54.840 0.015 0.000 0.752 268 L CB -0.676 41.391 42.059 0.013 0.000 0.891 268 L HN 0.233 nan 8.230 nan 0.000 0.432 269 L N -2.136 119.106 121.223 0.031 0.000 2.209 269 L HA -0.083 4.257 4.340 0.000 0.000 0.207 269 L C 2.361 179.256 176.870 0.042 0.000 1.094 269 L CA 0.318 55.181 54.840 0.039 0.000 0.790 269 L CB -0.393 41.696 42.059 0.050 0.000 0.932 269 L HN 0.197 nan 8.230 nan 0.000 0.447 270 L N 0.046 121.296 121.223 0.044 0.000 2.042 270 L HA -0.243 4.097 4.340 0.000 0.000 0.210 270 L C 1.849 178.737 176.870 0.030 0.000 1.076 270 L CA 1.236 56.100 54.840 0.041 0.000 0.749 270 L CB -0.475 41.606 42.059 0.037 0.000 0.893 270 L HN 0.309 nan 8.230 nan 0.000 0.432 271 D N -1.427 118.987 120.400 0.024 0.000 2.333 271 D HA -0.030 4.610 4.640 0.000 0.000 0.208 271 D C 0.210 176.521 176.300 0.019 0.000 0.984 271 D CA 0.786 54.798 54.000 0.019 0.000 0.873 271 D CB 0.173 40.981 40.800 0.014 0.000 0.935 271 D HN 0.170 nan 8.370 nan 0.000 0.521 272 D N -0.895 119.518 120.400 0.022 0.000 2.472 272 D HA 0.161 4.802 4.640 0.000 0.000 0.248 272 D C -2.219 174.096 176.300 0.026 0.000 1.271 272 D CA -1.649 52.364 54.000 0.021 0.000 0.888 272 D CB 1.392 42.203 40.800 0.018 0.000 1.337 272 D HN -0.244 nan 8.370 nan 0.000 0.526 273 P HA -0.085 nan 4.420 nan 0.000 0.223 273 P C 0.656 177.973 177.300 0.030 0.000 1.144 273 P CA 0.796 63.916 63.100 0.033 0.000 0.783 273 P CB 0.414 32.134 31.700 0.034 0.000 0.771 274 E N -0.878 119.337 120.200 0.026 0.000 2.418 274 E HA -0.000 4.350 4.350 0.000 0.000 0.197 274 E C 2.102 178.717 176.600 0.024 0.000 1.026 274 E CA 0.834 57.249 56.400 0.024 0.000 0.862 274 E CB -1.224 28.489 29.700 0.021 0.000 0.799 274 E HN 0.239 nan 8.360 nan 0.000 0.518 275 G N 0.252 109.066 108.800 0.024 0.000 2.598 275 G HA2 -0.142 3.819 3.960 0.000 0.000 0.215 275 G HA3 -0.142 3.819 3.960 0.000 0.000 0.215 275 G C 1.416 176.331 174.900 0.025 0.000 1.131 275 G CA 0.053 45.166 45.100 0.022 0.000 0.785 275 G HN 0.222 nan 8.290 nan 0.000 0.539 276 I N 1.096 121.683 120.570 0.029 0.000 2.226 276 I HA -0.101 4.070 4.170 0.000 0.000 0.245 276 I C -0.146 175.989 176.117 0.030 0.000 1.100 276 I CA 0.863 62.182 61.300 0.032 0.000 1.374 276 I CB -0.596 37.425 38.000 0.037 0.000 1.057 276 I HN 0.110 nan 8.210 nan 0.000 0.413 277 P HA -0.143 nan 4.420 nan 0.000 0.216 277 P C 1.045 178.364 177.300 0.032 0.000 1.153 277 P CA 1.428 64.549 63.100 0.035 0.000 0.848 277 P CB -0.012 31.710 31.700 0.036 0.000 0.787 278 D N -0.847 119.568 120.400 0.026 0.000 2.144 278 D HA -0.115 4.525 4.640 0.000 0.000 0.199 278 D C 1.972 178.279 176.300 0.012 0.000 0.984 278 D CA 1.463 55.475 54.000 0.020 0.000 0.834 278 D CB -0.703 40.106 40.800 0.015 0.000 0.955 278 D HN 0.036 nan 8.370 nan 0.000 0.465 279 A N 0.507 123.335 122.820 0.013 0.000 1.933 279 A HA -0.133 4.187 4.320 0.000 0.000 0.218 279 A C 2.516 180.102 177.584 0.003 0.000 1.175 279 A CA 1.082 53.124 52.037 0.007 0.000 0.628 279 A CB -0.673 18.338 19.000 0.019 0.000 0.814 279 A HN 0.150 nan 8.150 nan 0.000 0.444 280 V N 0.354 120.277 119.914 0.014 0.000 2.407 280 V HA -0.215 3.905 4.120 0.000 0.000 0.248 280 V C 2.553 178.655 176.094 0.013 0.000 1.055 280 V CA 2.090 64.400 62.300 0.016 0.000 1.049 280 V CB -0.687 31.157 31.823 0.035 0.000 0.662 280 V HN 0.516 nan 8.190 nan 0.000 0.455 281 E N 0.039 120.251 120.200 0.020 0.000 2.077 281 E HA -0.258 4.092 4.350 0.000 0.000 0.193 281 E C 2.198 178.770 176.600 -0.047 0.000 0.989 281 E CA 1.571 57.979 56.400 0.013 0.000 0.800 281 E CB -0.225 29.491 29.700 0.026 0.000 0.746 281 E HN 0.705 nan 8.360 nan 0.000 0.452 282 E N 0.862 121.028 120.200 -0.056 0.000 2.106 282 E HA -0.096 4.254 4.350 0.000 0.000 0.192 282 E C 2.167 178.704 176.600 -0.106 0.000 0.984 282 E CA 0.699 57.039 56.400 -0.100 0.000 0.806 282 E CB -0.249 29.406 29.700 -0.075 0.000 0.750 282 E HN 0.182 nan 8.360 nan 0.000 0.458 283 L N -0.118 121.064 121.223 -0.069 0.000 2.093 283 L HA -0.106 4.234 4.340 0.000 0.000 0.208 283 L C 2.444 179.261 176.870 -0.088 0.000 1.085 283 L CA 0.695 55.495 54.840 -0.067 0.000 0.755 283 L CB -0.316 41.718 42.059 -0.041 0.000 0.904 283 L HN 0.220 nan 8.230 nan 0.000 0.435 284 L N -0.511 120.657 121.223 -0.091 0.000 2.083 284 L HA -0.233 4.107 4.340 0.000 0.000 0.209 284 L C 2.834 179.600 176.870 -0.174 0.000 1.083 284 L CA 1.176 55.931 54.840 -0.141 0.000 0.752 284 L CB -0.438 41.541 42.059 -0.133 0.000 0.899 284 L HN 0.254 nan 8.230 nan 0.000 0.433 285 R N 0.448 120.844 120.500 -0.173 0.000 2.080 285 R HA -0.179 4.162 4.340 0.000 0.000 0.236 285 R C 2.269 178.447 176.300 -0.203 0.000 1.137 285 R CA 1.606 57.577 56.100 -0.216 0.000 0.943 285 R CB -0.208 29.898 30.300 -0.323 0.000 0.846 285 R HN 0.293 nan 8.270 nan 0.000 0.431 286 L N -0.075 121.025 121.223 -0.205 0.000 2.179 286 L HA -0.060 4.280 4.340 0.000 0.000 0.208 286 L C 2.584 179.342 176.870 -0.187 0.000 1.096 286 L CA 1.479 56.167 54.840 -0.253 0.000 0.779 286 L CB -0.314 41.605 42.059 -0.233 0.000 0.922 286 L HN 0.456 nan 8.230 nan 0.000 0.443 287 T N -4.586 109.913 114.554 -0.090 0.000 2.937 287 T HA -0.081 4.269 4.350 0.000 0.000 0.260 287 T C 1.234 175.948 174.700 0.023 0.000 1.051 287 T CA 0.550 62.650 62.100 0.001 0.000 1.141 287 T CB -0.186 68.683 68.868 0.001 0.000 0.879 287 T HN 0.168 nan 8.240 nan 0.000 0.459 288 S N 2.919 118.594 115.700 -0.042 0.000 3.247 288 S HA -0.080 4.390 4.470 0.000 0.000 0.341 288 S C -1.462 173.146 174.600 0.014 0.000 0.924 288 S CA 0.299 58.484 58.200 -0.026 0.000 1.323 288 S CB -0.897 62.339 63.200 0.060 0.000 0.918 288 S HN 0.419 nan 8.310 nan 0.000 0.523 289 P HA -0.024 nan 4.420 nan 0.000 0.216 289 P C 0.401 177.700 177.300 -0.001 0.000 1.150 289 P CA 0.727 63.806 63.100 -0.035 0.000 0.837 289 P CB 0.125 31.802 31.700 -0.040 0.000 0.786 290 V N 2.202 122.149 119.914 0.055 0.000 2.352 290 V HA 0.010 4.130 4.120 0.000 0.000 0.253 290 V C 1.599 177.839 176.094 0.243 0.000 1.083 290 V CA 0.427 62.824 62.300 0.162 0.000 0.993 290 V CB 0.269 32.221 31.823 0.215 0.000 1.111 290 V HN 0.113 nan 8.190 nan 0.000 0.490 291 Q N 3.112 123.047 119.800 0.224 0.000 2.172 291 Q HA 0.105 4.445 4.340 0.000 0.000 0.200 291 Q C 1.003 177.146 176.000 0.239 0.000 0.964 291 Q CA 1.057 57.040 55.803 0.300 0.000 0.855 291 Q CB 0.601 29.586 28.738 0.412 0.000 0.918 291 Q HN 0.863 nan 8.270 nan 0.000 0.444 292 G N -0.500 108.422 108.800 0.204 0.000 2.720 292 G HA2 0.600 4.560 3.960 0.000 0.000 0.295 292 G HA3 0.600 4.560 3.960 0.000 0.000 0.295 292 G C -1.656 173.278 174.900 0.057 0.000 1.437 292 G CA -0.587 44.508 45.100 -0.008 0.000 0.886 292 G HN 0.033 nan 8.290 nan 0.000 0.509 293 L N 0.184 121.262 121.223 -0.242 0.000 2.424 293 L HA 0.800 5.141 4.340 0.000 0.000 0.258 293 L C 0.342 177.104 176.870 -0.181 0.000 0.995 293 L CA -1.151 53.605 54.840 -0.140 0.000 0.821 293 L CB 2.337 44.337 42.059 -0.097 0.000 1.383 293 L HN 0.803 nan 8.230 nan 0.000 0.410 294 A N 1.773 124.495 122.820 -0.163 0.000 2.269 294 A HA 0.926 5.246 4.320 0.000 0.000 0.319 294 A C -0.675 176.846 177.584 -0.105 0.000 1.110 294 A CA -0.534 51.426 52.037 -0.127 0.000 0.847 294 A CB 1.016 19.921 19.000 -0.158 0.000 1.161 294 A HN 0.648 nan 8.150 nan 0.000 0.497 295 R N -0.487 119.993 120.500 -0.034 0.000 2.888 295 R HA 0.675 5.016 4.340 0.000 0.000 0.264 295 R C -1.331 175.001 176.300 0.053 0.000 1.045 295 R CA -0.544 55.575 56.100 0.032 0.000 0.962 295 R CB 1.440 31.835 30.300 0.158 0.000 1.210 295 R HN 0.686 nan 8.270 nan 0.000 0.479 296 T N 1.292 115.876 114.554 0.050 0.000 2.792 296 T HA 0.250 4.600 4.350 0.000 0.000 0.280 296 T C -0.161 174.547 174.700 0.012 0.000 0.990 296 T CA -0.639 61.482 62.100 0.035 0.000 0.960 296 T CB 1.410 70.280 68.868 0.004 0.000 0.939 296 T HN 0.621 nan 8.240 nan 0.000 0.439 297 T N 0.122 114.662 114.554 -0.025 0.000 2.888 297 T HA 0.165 4.515 4.350 0.000 0.000 0.301 297 T C 1.465 176.082 174.700 -0.139 0.000 1.001 297 T CA -0.300 61.680 62.100 -0.199 0.000 1.147 297 T CB 0.642 69.376 68.868 -0.223 0.000 0.931 297 T HN 0.683 nan 8.240 nan 0.000 0.541 298 T N -0.189 114.256 114.554 -0.181 0.000 3.107 298 T HA 0.241 4.591 4.350 0.000 0.000 0.249 298 T C 0.549 175.179 174.700 -0.116 0.000 1.096 298 T CA -0.531 61.501 62.100 -0.113 0.000 1.012 298 T CB -0.311 68.500 68.868 -0.095 0.000 0.977 298 T HN 1.007 nan 8.240 nan 0.000 0.527 299 R N -0.922 119.482 120.500 -0.161 0.000 2.728 299 R HA 0.563 4.903 4.340 0.000 0.000 0.274 299 R C -2.207 173.994 176.300 -0.166 0.000 1.030 299 R CA -1.056 54.962 56.100 -0.136 0.000 0.876 299 R CB -0.032 30.192 30.300 -0.127 0.000 1.259 299 R HN -0.169 nan 8.270 nan 0.000 0.468 300 D N 0.449 120.772 120.400 -0.128 0.000 2.414 300 D HA 0.325 4.966 4.640 0.000 0.000 0.242 300 D C -0.859 175.348 176.300 -0.155 0.000 1.129 300 D CA 0.075 53.995 54.000 -0.133 0.000 0.885 300 D CB 1.644 42.387 40.800 -0.095 0.000 1.198 300 D HN 0.344 nan 8.370 nan 0.000 0.437 301 V N 1.620 121.433 119.914 -0.167 0.000 2.733 301 V HA 0.426 4.546 4.120 0.000 0.000 0.306 301 V C -0.923 175.119 176.094 -0.087 0.000 1.084 301 V CA -0.358 61.860 62.300 -0.135 0.000 0.905 301 V CB 2.338 34.038 31.823 -0.206 0.000 1.010 301 V HN 0.537 nan 8.190 nan 0.000 0.424 302 T N 8.146 122.672 114.554 -0.045 0.000 2.770 302 T HA 0.639 4.989 4.350 0.000 0.000 0.283 302 T C -0.443 174.259 174.700 0.004 0.000 0.988 302 T CA -0.042 62.038 62.100 -0.033 0.000 0.957 302 T CB 0.727 69.578 68.868 -0.028 0.000 0.930 302 T HN 0.532 nan 8.240 nan 0.000 0.443 303 I N 3.226 123.800 120.570 0.007 0.000 2.411 303 I HA 0.491 4.662 4.170 0.000 0.000 0.284 303 I C 1.152 177.284 176.117 0.026 0.000 1.012 303 I CA -0.453 60.866 61.300 0.031 0.000 1.119 303 I CB 1.150 39.180 38.000 0.049 0.000 1.261 303 I HN 0.887 nan 8.210 nan 0.000 0.448 304 G N 4.422 113.238 108.800 0.027 0.000 2.629 304 G HA2 -0.431 3.529 3.960 0.000 0.000 0.313 304 G HA3 -0.431 3.529 3.960 0.000 0.000 0.313 304 G C 0.542 175.454 174.900 0.020 0.000 1.217 304 G CA 0.713 45.829 45.100 0.026 0.000 0.994 304 G HN 0.699 nan 8.290 nan 0.000 0.549 305 D N -0.040 120.376 120.400 0.025 0.000 2.342 305 D HA 0.519 5.159 4.640 0.000 0.000 0.221 305 D C 0.887 177.198 176.300 0.018 0.000 1.101 305 D CA 1.520 55.533 54.000 0.022 0.000 0.837 305 D CB 0.035 40.853 40.800 0.030 0.000 0.938 305 D HN 0.690 nan 8.370 nan 0.000 0.508 306 T N 0.112 114.673 114.554 0.011 0.000 2.812 306 T HA 0.500 4.850 4.350 0.000 0.000 0.282 306 T C -0.394 174.271 174.700 -0.058 0.000 0.990 306 T CA -0.328 61.769 62.100 -0.004 0.000 0.960 306 T CB 1.767 70.650 68.868 0.025 0.000 0.948 306 T HN 0.094 nan 8.240 nan 0.000 0.438 307 T N 4.098 118.600 114.554 -0.086 0.000 2.749 307 T HA 0.505 4.855 4.350 0.000 0.000 0.287 307 T C 0.257 174.805 174.700 -0.255 0.000 0.970 307 T CA -0.444 61.578 62.100 -0.130 0.000 0.980 307 T CB 0.244 69.059 68.868 -0.089 0.000 0.924 307 T HN 0.423 nan 8.240 nan 0.000 0.456 308 I N 6.226 126.592 120.570 -0.339 0.000 2.342 308 I HA 0.288 4.458 4.170 0.000 0.000 0.291 308 I C -2.114 173.828 176.117 -0.292 0.000 1.010 308 I CA -2.571 58.392 61.300 -0.562 0.000 1.308 308 I CB 1.420 39.072 38.000 -0.580 0.000 1.400 308 I HN 0.303 nan 8.210 nan 0.000 0.488 309 P HA 0.094 nan 4.420 nan 0.000 0.272 309 P C -0.434 176.813 177.300 -0.089 0.000 1.223 309 P CA -0.364 62.674 63.100 -0.104 0.000 0.784 309 P CB 0.586 32.262 31.700 -0.039 0.000 0.923 310 A N 2.269 125.041 122.820 -0.081 0.000 2.587 310 A HA 0.354 4.674 4.320 0.000 0.000 0.233 310 A C 1.521 179.092 177.584 -0.021 0.000 1.049 310 A CA 0.950 52.947 52.037 -0.068 0.000 0.754 310 A CB -1.564 17.400 19.000 -0.060 0.000 0.977 310 A HN 0.916 nan 8.150 nan 0.000 0.509 311 G N 1.268 110.066 108.800 -0.003 0.000 2.159 311 G HA2 -0.200 3.760 3.960 0.000 0.000 0.256 311 G HA3 -0.200 3.760 3.960 0.000 0.000 0.256 311 G C 0.300 175.285 174.900 0.142 0.000 0.977 311 G CA 0.434 45.564 45.100 0.049 0.000 0.652 311 G HN 0.830 nan 8.290 nan 0.000 0.531 312 R N -0.050 120.542 120.500 0.153 0.000 2.668 312 R HA 0.573 4.913 4.340 0.000 0.000 0.279 312 R C 0.632 177.092 176.300 0.266 0.000 0.976 312 R CA -0.862 55.427 56.100 0.315 0.000 0.978 312 R CB 0.848 31.346 30.300 0.329 0.000 1.133 312 R HN 0.316 nan 8.270 nan 0.000 0.484 313 R N 0.401 121.063 120.500 0.269 0.000 2.539 313 R HA 0.363 4.703 4.340 0.000 0.000 0.275 313 R C -0.434 176.007 176.300 0.234 0.000 1.077 313 R CA -0.312 55.823 56.100 0.058 0.000 1.097 313 R CB 0.911 31.015 30.300 -0.327 0.000 1.018 313 R HN 0.203 nan 8.270 nan 0.000 0.483 314 V N 4.432 124.454 119.914 0.180 0.000 2.483 314 V HA 0.188 4.308 4.120 0.000 0.000 0.297 314 V C -0.803 175.351 176.094 0.101 0.000 1.027 314 V CA -0.899 61.536 62.300 0.224 0.000 0.855 314 V CB 1.616 33.600 31.823 0.269 0.000 0.995 314 V HN 0.481 nan 8.190 nan 0.000 0.424 315 L N 6.551 127.846 121.223 0.120 0.000 2.315 315 L HA 0.434 4.774 4.340 0.000 0.000 0.283 315 L C -0.250 176.585 176.870 -0.059 0.000 1.089 315 L CA 0.311 55.175 54.840 0.040 0.000 0.833 315 L CB 0.502 42.642 42.059 0.135 0.000 1.170 315 L HN 0.535 nan 8.230 nan 0.000 0.442 316 L N 7.083 128.191 121.223 -0.191 0.000 2.295 316 L HA 0.239 4.579 4.340 0.000 0.000 0.288 316 L C -0.049 176.574 176.870 -0.411 0.000 1.079 316 L CA -0.280 54.373 54.840 -0.312 0.000 0.830 316 L CB 0.325 42.122 42.059 -0.438 0.000 1.200 316 L HN 0.531 nan 8.230 nan 0.000 0.438 317 L N 4.697 125.790 121.223 -0.217 0.000 2.395 317 L HA 0.037 4.378 4.340 0.000 0.000 0.268 317 L C 0.840 177.665 176.870 -0.075 0.000 1.223 317 L CA -0.320 54.407 54.840 -0.188 0.000 1.093 317 L CB -0.244 41.664 42.059 -0.250 0.000 1.349 317 L HN 0.589 nan 8.230 nan 0.000 0.427 318 Y N 1.748 122.056 120.300 0.013 0.000 2.151 318 Y HA -0.231 4.319 4.550 0.000 0.000 0.284 318 Y C 2.352 178.281 175.900 0.049 0.000 1.166 318 Y CA 1.169 59.291 58.100 0.037 0.000 1.163 318 Y CB -1.024 37.463 38.460 0.045 0.000 0.974 318 Y HN 0.553 nan 8.280 nan 0.000 0.511 319 G N -1.712 107.222 108.800 0.223 0.000 2.432 319 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 319 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 319 G C 2.008 177.040 174.900 0.221 0.000 1.135 319 G CA 1.326 46.598 45.100 0.287 0.000 0.767 319 G HN 0.455 nan 8.290 nan 0.000 0.550 320 S N 0.245 115.880 115.700 -0.108 0.000 2.404 320 S HA 0.284 4.755 4.470 0.000 0.000 0.223 320 S C 2.738 177.403 174.600 0.107 0.000 1.040 320 S CA 1.222 59.377 58.200 -0.074 0.000 0.957 320 S CB -0.403 62.554 63.200 -0.404 0.000 0.826 320 S HN 0.494 nan 8.310 nan 0.000 0.491 321 A N 2.474 125.365 122.820 0.118 0.000 1.917 321 A HA -0.159 4.161 4.320 0.000 0.000 0.219 321 A C 1.948 179.763 177.584 0.385 0.000 1.182 321 A CA 1.978 54.154 52.037 0.232 0.000 0.633 321 A CB -1.021 18.093 19.000 0.190 0.000 0.819 321 A HN 0.613 nan 8.150 nan 0.000 0.448 322 N N -0.572 118.303 118.700 0.292 0.000 2.453 322 N HA -0.058 4.682 4.740 0.000 0.000 0.183 322 N C 1.108 176.672 175.510 0.089 0.000 1.041 322 N CA 0.797 53.976 53.050 0.214 0.000 0.900 322 N CB -0.173 38.344 38.487 0.050 0.000 0.961 322 N HN 0.539 nan 8.380 nan 0.000 0.443 323 R N -0.060 120.535 120.500 0.158 0.000 2.613 323 R HA 0.124 4.465 4.340 0.000 0.000 0.361 323 R C -0.581 175.827 176.300 0.181 0.000 1.072 323 R CA -0.328 55.832 56.100 0.099 0.000 1.089 323 R CB 0.512 30.842 30.300 0.050 0.000 1.343 323 R HN -0.023 nan 8.270 nan 0.000 0.571 324 D N 1.151 121.706 120.400 0.258 0.000 2.339 324 D HA -0.003 4.637 4.640 0.000 0.000 0.256 324 D C 0.514 176.872 176.300 0.097 0.000 1.214 324 D CA 0.151 54.244 54.000 0.155 0.000 0.877 324 D CB 1.193 42.076 40.800 0.139 0.000 1.111 324 D HN 0.001 nan 8.370 nan 0.000 0.478 325 E N 2.422 122.660 120.200 0.063 0.000 2.267 325 E HA -0.175 4.176 4.350 0.000 0.000 0.197 325 E C 1.716 178.294 176.600 -0.036 0.000 0.998 325 E CA 1.021 57.436 56.400 0.024 0.000 0.830 325 E CB 0.115 29.827 29.700 0.020 0.000 0.751 325 E HN 0.452 nan 8.360 nan 0.000 0.491 326 R N -0.342 120.126 120.500 -0.054 0.000 2.148 326 R HA -0.125 4.215 4.340 0.000 0.000 0.227 326 R C 2.096 178.270 176.300 -0.209 0.000 1.103 326 R CA 1.317 57.359 56.100 -0.097 0.000 0.983 326 R CB -0.006 30.258 30.300 -0.060 0.000 0.874 326 R HN 0.097 nan 8.270 nan 0.000 0.451 327 Q N -0.968 118.622 119.800 -0.351 0.000 2.387 327 Q HA 0.019 4.359 4.340 0.000 0.000 0.212 327 Q C 0.630 176.148 176.000 -0.804 0.000 0.925 327 Q CA 1.154 56.504 55.803 -0.755 0.000 0.901 327 Q CB 0.351 28.261 28.738 -1.380 0.000 1.020 327 Q HN 0.395 nan 8.270 nan 0.000 0.545 328 Y N -0.443 119.755 120.300 -0.170 0.000 2.467 328 Y HA 0.530 5.081 4.550 0.001 0.000 0.250 328 Y C 0.701 176.546 175.900 -0.091 0.000 1.155 328 Y CA -0.015 58.004 58.100 -0.134 0.000 1.249 328 Y CB 1.333 39.721 38.460 -0.121 0.000 1.146 328 Y HN 0.213 nan 8.280 nan 0.000 0.524 329 G N 0.786 109.588 108.800 0.003 0.000 2.707 329 G HA2 -0.186 3.774 3.960 0.000 0.000 0.686 329 G HA3 -0.186 3.774 3.960 0.000 0.000 0.686 329 G C -2.445 172.464 174.900 0.015 0.000 1.315 329 G CA -0.881 44.219 45.100 -0.000 0.000 0.832 329 G HN -0.029 nan 8.290 nan 0.000 0.573 330 P HA 0.083 nan 4.420 nan 0.000 0.230 330 P C 0.987 178.293 177.300 0.010 0.000 1.158 330 P CA 1.608 64.713 63.100 0.008 0.000 0.769 330 P CB 0.086 31.788 31.700 0.004 0.000 0.807 331 D N -1.361 119.044 120.400 0.008 0.000 2.358 331 D HA 0.127 4.767 4.640 0.000 0.000 0.224 331 D C 1.444 177.739 176.300 -0.009 0.000 1.123 331 D CA -0.226 53.773 54.000 -0.002 0.000 0.833 331 D CB -0.625 40.172 40.800 -0.006 0.000 0.946 331 D HN -0.036 nan 8.370 nan 0.000 0.505 332 A N 1.100 123.928 122.820 0.012 0.000 1.997 332 A HA -0.122 4.199 4.320 0.000 0.000 0.221 332 A C 2.329 179.870 177.584 -0.072 0.000 1.172 332 A CA 2.052 54.094 52.037 0.007 0.000 0.645 332 A CB -0.774 18.272 19.000 0.077 0.000 0.813 332 A HN 0.431 nan 8.150 nan 0.000 0.454 333 A N -0.937 121.843 122.820 -0.067 0.000 2.168 333 A HA 0.128 4.448 4.320 0.000 0.000 0.215 333 A C 0.834 178.331 177.584 -0.144 0.000 1.152 333 A CA 0.477 52.436 52.037 -0.129 0.000 0.716 333 A CB -0.104 18.851 19.000 -0.075 0.000 0.794 333 A HN 0.658 nan 8.150 nan 0.000 0.465 334 E N -0.967 119.175 120.200 -0.096 0.000 2.222 334 E HA 0.452 4.802 4.350 0.000 0.000 0.272 334 E C -1.162 175.388 176.600 -0.084 0.000 0.982 334 E CA -1.039 55.316 56.400 -0.075 0.000 0.842 334 E CB 1.618 31.293 29.700 -0.041 0.000 1.144 334 E HN 0.215 nan 8.360 nan 0.000 0.397 335 L N 2.539 123.724 121.223 -0.064 0.000 2.361 335 L HA 0.174 4.514 4.340 0.000 0.000 0.278 335 L C -0.824 176.021 176.870 -0.042 0.000 1.113 335 L CA 0.494 55.301 54.840 -0.056 0.000 0.849 335 L CB 0.323 42.365 42.059 -0.028 0.000 1.155 335 L HN 0.377 nan 8.230 nan 0.000 0.452 336 D N 3.343 123.714 120.400 -0.048 0.000 2.421 336 D HA 0.127 4.768 4.640 0.000 0.000 0.254 336 D C 0.763 177.045 176.300 -0.030 0.000 1.238 336 D CA -0.265 53.716 54.000 -0.032 0.000 0.919 336 D CB 1.358 42.140 40.800 -0.031 0.000 1.152 336 D HN 0.347 nan 8.370 nan 0.000 0.552 337 V N 2.031 121.935 119.914 -0.017 0.000 3.241 337 V HA -0.038 4.083 4.120 0.000 0.000 0.269 337 V C 1.457 177.546 176.094 -0.007 0.000 1.151 337 V CA 1.975 64.269 62.300 -0.011 0.000 1.158 337 V CB -1.171 30.654 31.823 0.003 0.000 0.764 337 V HN 0.637 nan 8.190 nan 0.000 0.508 338 T N -2.975 111.574 114.554 -0.008 0.000 3.086 338 T HA 0.140 4.490 4.350 0.000 0.000 0.250 338 T C 1.741 176.437 174.700 -0.006 0.000 1.074 338 T CA 0.493 62.591 62.100 -0.004 0.000 0.988 338 T CB -0.279 68.588 68.868 -0.001 0.000 0.988 338 T HN 0.520 nan 8.240 nan 0.000 0.530 339 R N 0.469 120.960 120.500 -0.015 0.000 2.120 339 R HA -0.017 4.323 4.340 0.000 0.000 0.234 339 R C 0.442 176.741 176.300 -0.002 0.000 1.123 339 R CA 1.077 57.169 56.100 -0.012 0.000 0.975 339 R CB -0.934 29.346 30.300 -0.033 0.000 0.866 339 R HN 0.509 nan 8.270 nan 0.000 0.446 340 C N 1.027 120.324 119.300 -0.005 0.000 3.896 340 C HA -0.070 4.390 4.460 0.000 0.000 0.300 340 C C -2.174 172.827 174.990 0.017 0.000 1.322 340 C CA -0.630 58.391 59.018 0.006 0.000 2.130 340 C CB -2.066 25.680 27.740 0.010 0.000 1.363 340 C HN 0.472 nan 8.230 nan 0.000 0.642 341 P HA 0.227 nan 4.420 nan 0.000 0.265 341 P C 0.209 177.566 177.300 0.096 0.000 1.193 341 P CA 0.842 63.976 63.100 0.056 0.000 0.765 341 P CB 0.563 32.175 31.700 -0.145 0.000 0.823 342 R N 2.488 123.069 120.500 0.135 0.000 2.643 342 R HA 0.267 4.607 4.340 0.000 0.000 0.272 342 R C 0.516 176.823 176.300 0.012 0.000 0.995 342 R CA -0.899 55.225 56.100 0.039 0.000 1.032 342 R CB -0.079 30.197 30.300 -0.040 0.000 1.126 342 R HN 0.450 nan 8.270 nan 0.000 0.505 343 N N 0.516 119.187 118.700 -0.047 0.000 2.727 343 N HA -0.189 4.551 4.740 0.000 0.000 0.249 343 N C 0.069 175.656 175.510 0.128 0.000 1.048 343 N CA 0.858 53.778 53.050 -0.217 0.000 0.714 343 N CB -1.529 36.408 38.487 -0.916 0.000 0.959 343 N HN 0.647 nan 8.380 nan 0.000 0.544 344 I N -3.366 117.352 120.570 0.248 0.000 2.836 344 I HA 0.048 4.219 4.170 0.000 0.000 0.285 344 I C 1.265 177.566 176.117 0.307 0.000 1.174 344 I CA -0.158 61.300 61.300 0.263 0.000 1.405 344 I CB 0.445 38.491 38.000 0.077 0.000 1.385 344 I HN 0.009 nan 8.210 nan 0.000 0.594 345 L N 3.201 124.549 121.223 0.208 0.000 2.667 345 L HA 0.089 4.429 4.340 0.000 0.000 0.232 345 L C 1.948 178.682 176.870 -0.226 0.000 1.138 345 L CA 0.163 55.042 54.840 0.066 0.000 0.921 345 L CB -0.196 41.950 42.059 0.145 0.000 1.180 345 L HN 0.853 nan 8.230 nan 0.000 0.487 346 T N -0.077 114.332 114.554 -0.241 0.000 2.803 346 T HA -0.148 4.202 4.350 0.000 0.000 0.269 346 T C 0.848 175.148 174.700 -0.667 0.000 1.052 346 T CA 1.584 63.385 62.100 -0.499 0.000 1.136 346 T CB -0.224 68.199 68.868 -0.742 0.000 0.864 346 T HN 0.153 nan 8.240 nan 0.000 0.467 347 F N 1.126 120.971 119.950 -0.175 0.000 2.684 347 F HA 0.559 5.086 4.527 0.000 0.000 0.298 347 F C 1.205 176.807 175.800 -0.330 0.000 1.120 347 F CA -0.727 57.104 58.000 -0.281 0.000 1.332 347 F CB -0.869 37.901 39.000 -0.383 0.000 0.986 347 F HN 0.019 nan 8.300 nan 0.000 0.524 348 S N 0.466 115.931 115.700 -0.392 0.000 3.251 348 S HA -0.302 4.168 4.470 0.000 0.000 0.633 348 S C -0.824 173.779 174.600 0.006 0.000 2.788 348 S CA 1.002 58.951 58.200 -0.419 0.000 3.086 348 S CB -0.606 62.440 63.200 -0.257 0.000 0.327 348 S HN 0.759 nan 8.310 nan 0.000 1.718 349 H N -0.029 118.946 119.070 -0.159 0.000 3.112 349 H HA 0.566 5.122 4.556 0.000 0.000 0.347 349 H C -0.006 175.194 175.328 -0.215 0.000 1.188 349 H CA 1.561 57.438 56.048 -0.286 0.000 1.240 349 H CB 0.778 30.002 29.762 -0.898 0.000 1.920 349 H HN 1.977 nan 8.280 nan 0.000 0.535 350 G N 1.823 110.312 108.800 -0.518 0.000 2.475 350 G HA2 0.060 4.020 3.960 0.000 0.000 0.223 350 G HA3 0.060 4.020 3.960 0.000 0.000 0.223 350 G C 1.095 175.903 174.900 -0.153 0.000 1.201 350 G CA 0.746 45.586 45.100 -0.434 0.000 0.962 350 G HN 1.405 nan 8.290 nan 0.000 0.586 351 A N -1.388 121.348 122.820 -0.141 0.000 1.940 351 A HA -0.020 4.300 4.320 0.000 0.000 0.219 351 A C 1.739 179.158 177.584 -0.275 0.000 1.176 351 A CA 2.436 54.326 52.037 -0.245 0.000 0.631 351 A CB -0.617 18.080 19.000 -0.504 0.000 0.814 351 A HN 0.821 nan 8.150 nan 0.000 0.446 352 H N -1.590 117.431 119.070 -0.082 0.000 2.529 352 H HA 0.049 4.605 4.556 0.000 0.000 0.277 352 H C 0.227 175.568 175.328 0.021 0.000 1.004 352 H CA -0.143 55.883 56.048 -0.037 0.000 1.167 352 H CB -0.461 29.247 29.762 -0.091 0.000 1.445 352 H HN 0.653 nan 8.280 nan 0.000 0.554 353 H N 1.306 120.386 119.070 0.016 0.000 3.195 353 H HA -0.125 4.431 4.556 0.001 0.000 0.302 353 H C 0.089 175.414 175.328 -0.005 0.000 0.950 353 H CA 0.258 56.315 56.048 0.014 0.000 1.398 353 H CB 0.496 30.259 29.762 0.001 0.000 1.377 353 H HN 0.286 nan 8.280 nan 0.000 0.572 354 C N 7.200 126.216 119.300 -0.473 0.000 2.409 354 C HA -0.078 4.383 4.460 0.000 0.000 0.398 354 C C 2.219 176.959 174.990 -0.417 0.000 1.507 354 C CA -0.281 58.525 59.018 -0.354 0.000 1.460 354 C CB -1.799 25.769 27.740 -0.286 0.000 2.472 354 C HN 0.896 nan 8.230 nan 0.000 0.614 355 L N 5.062 126.060 121.223 -0.375 0.000 2.191 355 L HA 0.003 4.343 4.340 0.000 0.000 0.212 355 L C 2.471 178.996 176.870 -0.575 0.000 1.103 355 L CA 1.661 56.132 54.840 -0.615 0.000 0.769 355 L CB -0.423 40.961 42.059 -1.126 0.000 0.908 355 L HN 0.986 nan 8.230 nan 0.000 0.438 356 G N -1.344 107.199 108.800 -0.428 0.000 2.920 356 G HA2 0.041 4.002 3.960 0.000 0.000 0.208 356 G HA3 0.041 4.002 3.960 0.000 0.000 0.208 356 G C 1.672 176.333 174.900 -0.399 0.000 1.159 356 G CA 0.549 45.465 45.100 -0.305 0.000 0.784 356 G HN 0.407 nan 8.290 nan 0.000 0.535 357 A N 1.485 123.916 122.820 -0.648 0.000 1.892 357 A HA 0.071 4.391 4.320 0.000 0.000 0.218 357 A C 2.805 180.055 177.584 -0.557 0.000 1.188 357 A CA 2.417 53.740 52.037 -1.190 0.000 0.631 357 A CB -0.835 17.404 19.000 -1.269 0.000 0.822 357 A HN 0.751 nan 8.150 nan 0.000 0.447 358 A N -0.425 122.248 122.820 -0.245 0.000 1.902 358 A HA 0.160 4.480 4.320 0.000 0.000 0.217 358 A C 2.528 180.103 177.584 -0.016 0.000 1.181 358 A CA 2.216 54.215 52.037 -0.063 0.000 0.623 358 A CB -1.061 17.960 19.000 0.035 0.000 0.818 358 A HN 1.159 nan 8.150 nan 0.000 0.443 359 A N -0.164 122.642 122.820 -0.024 0.000 1.902 359 A HA 0.150 4.470 4.320 0.000 0.000 0.217 359 A C 2.500 180.083 177.584 -0.001 0.000 1.181 359 A CA 2.136 54.186 52.037 0.021 0.000 0.623 359 A CB -0.986 17.955 19.000 -0.099 0.000 0.818 359 A HN 1.033 nan 8.150 nan 0.000 0.443 360 A N -0.228 122.563 122.820 -0.048 0.000 1.877 360 A HA -0.152 4.169 4.320 0.000 0.000 0.216 360 A C 2.245 179.869 177.584 0.066 0.000 1.186 360 A CA 1.532 53.588 52.037 0.032 0.000 0.620 360 A CB -0.489 18.593 19.000 0.135 0.000 0.822 360 A HN 0.538 nan 8.150 nan 0.000 0.443 361 R N -1.269 119.266 120.500 0.058 0.000 2.083 361 R HA -0.159 4.181 4.340 0.000 0.000 0.237 361 R C 2.394 178.726 176.300 0.054 0.000 1.137 361 R CA 1.681 57.829 56.100 0.080 0.000 0.951 361 R CB -0.446 29.895 30.300 0.068 0.000 0.851 361 R HN 0.609 nan 8.270 nan 0.000 0.434 362 M N 1.349 120.977 119.600 0.047 0.000 2.080 362 M HA -0.257 4.223 4.480 0.000 0.000 0.260 362 M C 1.793 178.120 176.300 0.046 0.000 1.068 362 M CA 1.926 57.257 55.300 0.051 0.000 1.109 362 M CB -0.425 32.215 32.600 0.065 0.000 1.342 362 M HN 0.196 nan 8.290 nan 0.000 0.405 363 Q N -0.896 118.928 119.800 0.041 0.000 2.096 363 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 363 Q C 2.410 178.417 176.000 0.010 0.000 0.982 363 Q CA 1.974 57.796 55.803 0.031 0.000 0.850 363 Q CB -0.531 28.220 28.738 0.021 0.000 0.901 363 Q HN 0.690 nan 8.270 nan 0.000 0.422 364 C N 0.725 120.024 119.300 -0.003 0.000 2.413 364 C HA -0.170 4.290 4.460 0.000 0.000 0.276 364 C C 2.811 177.801 174.990 -0.000 0.000 1.236 364 C CA 1.025 60.026 59.018 -0.027 0.000 1.735 364 C CB -0.804 26.928 27.740 -0.012 0.000 2.031 364 C HN 0.485 nan 8.230 nan 0.000 0.474 365 R N -0.060 120.454 120.500 0.023 0.000 2.080 365 R HA -0.124 4.217 4.340 0.000 0.000 0.236 365 R C 2.044 178.366 176.300 0.036 0.000 1.137 365 R CA 2.447 58.566 56.100 0.032 0.000 0.943 365 R CB -0.444 29.879 30.300 0.039 0.000 0.846 365 R HN 0.438 nan 8.270 nan 0.000 0.431 366 V N 1.000 120.939 119.914 0.041 0.000 2.343 366 V HA -0.226 3.894 4.120 0.000 0.000 0.247 366 V C 2.477 178.605 176.094 0.057 0.000 1.051 366 V CA 1.963 64.294 62.300 0.051 0.000 1.036 366 V CB -0.746 31.112 31.823 0.059 0.000 0.654 366 V HN 0.590 nan 8.190 nan 0.000 0.451 367 A N -0.273 122.580 122.820 0.055 0.000 1.898 367 A HA -0.152 4.168 4.320 0.000 0.000 0.216 367 A C 2.136 179.757 177.584 0.061 0.000 1.181 367 A CA 1.920 54.004 52.037 0.078 0.000 0.620 367 A CB -0.512 18.536 19.000 0.081 0.000 0.819 367 A HN 0.444 nan 8.150 nan 0.000 0.442 368 L N -0.176 121.068 121.223 0.036 0.000 2.056 368 L HA -0.069 4.271 4.340 0.000 0.000 0.207 368 L C 2.364 179.271 176.870 0.063 0.000 1.078 368 L CA 2.809 57.675 54.840 0.044 0.000 0.749 368 L CB -1.336 40.742 42.059 0.032 0.000 0.901 368 L HN 0.358 nan 8.230 nan 0.000 0.433 369 T N 0.047 114.634 114.554 0.055 0.000 2.635 369 T HA -0.180 4.171 4.350 0.000 0.000 0.267 369 T C 1.681 176.418 174.700 0.062 0.000 1.040 369 T CA 1.870 64.003 62.100 0.056 0.000 1.156 369 T CB -0.235 68.662 68.868 0.048 0.000 0.863 369 T HN 0.406 nan 8.240 nan 0.000 0.430 370 E N 0.754 120.990 120.200 0.060 0.000 2.152 370 E HA 0.013 4.363 4.350 0.000 0.000 0.192 370 E C 2.244 178.887 176.600 0.071 0.000 0.983 370 E CA 0.382 56.817 56.400 0.058 0.000 0.818 370 E CB -0.563 29.165 29.700 0.046 0.000 0.758 370 E HN 0.317 nan 8.360 nan 0.000 0.467 371 L N 0.968 122.236 121.223 0.075 0.000 2.042 371 L HA -0.146 4.194 4.340 0.000 0.000 0.210 371 L C 2.196 179.167 176.870 0.168 0.000 1.076 371 L CA 1.466 56.363 54.840 0.096 0.000 0.749 371 L CB -0.464 41.621 42.059 0.044 0.000 0.893 371 L HN 0.049 nan 8.230 nan 0.000 0.432 372 L N -0.892 120.422 121.223 0.151 0.000 2.109 372 L HA -0.100 4.240 4.340 0.000 0.000 0.207 372 L C 2.564 179.506 176.870 0.120 0.000 1.086 372 L CA 0.988 55.923 54.840 0.159 0.000 0.760 372 L CB -0.839 41.295 42.059 0.125 0.000 0.910 372 L HN 0.367 nan 8.230 nan 0.000 0.437 373 A N -0.051 122.826 122.820 0.094 0.000 2.016 373 A HA -0.072 4.248 4.320 0.000 0.000 0.217 373 A C 2.275 179.903 177.584 0.073 0.000 1.162 373 A CA 0.985 53.065 52.037 0.072 0.000 0.662 373 A CB -0.156 18.878 19.000 0.056 0.000 0.812 373 A HN 0.366 nan 8.150 nan 0.000 0.450 374 R N -2.297 118.257 120.500 0.090 0.000 2.369 374 R HA 0.175 4.515 4.340 0.000 0.000 0.210 374 R C -0.417 175.952 176.300 0.114 0.000 0.881 374 R CA 0.734 56.885 56.100 0.084 0.000 1.031 374 R CB 0.564 30.904 30.300 0.067 0.000 1.184 374 R HN 0.460 nan 8.270 nan 0.000 0.581 375 C N 0.481 119.887 119.300 0.177 0.000 3.327 375 C HA 0.309 4.769 4.460 0.000 0.000 0.192 375 C C -2.104 173.090 174.990 0.339 0.000 1.603 375 C CA -1.230 57.929 59.018 0.235 0.000 1.222 375 C CB 0.849 28.786 27.740 0.328 0.000 1.981 375 C HN 0.096 nan 8.230 nan 0.000 0.563 376 P HA -0.038 nan 4.420 nan 0.000 0.218 376 P C 0.996 178.337 177.300 0.069 0.000 1.146 376 P CA 2.491 65.702 63.100 0.184 0.000 0.813 376 P CB 0.168 31.923 31.700 0.092 0.000 0.778 377 D N -1.264 119.153 120.400 0.028 0.000 2.463 377 D HA 0.185 4.825 4.640 0.000 0.000 0.224 377 D C 0.413 176.624 176.300 -0.149 0.000 1.174 377 D CA -0.726 53.210 54.000 -0.106 0.000 0.829 377 D CB -1.312 39.455 40.800 -0.055 0.000 0.993 377 D HN 0.142 nan 8.370 nan 0.000 0.497 378 F N -0.601 119.362 119.950 0.023 0.000 2.633 378 F HA 0.455 4.982 4.527 -0.000 0.000 0.338 378 F C 0.350 176.124 175.800 -0.043 0.000 1.206 378 F CA -0.683 57.253 58.000 -0.106 0.000 1.378 378 F CB 0.667 39.712 39.000 0.076 0.000 1.116 378 F HN -0.013 nan 8.300 nan 0.000 0.615 379 E N 1.213 121.406 120.200 -0.012 0.000 2.234 379 E HA 0.522 4.872 4.350 0.000 0.000 0.266 379 E C -1.287 175.255 176.600 -0.097 0.000 0.877 379 E CA -1.031 55.300 56.400 -0.114 0.000 0.758 379 E CB 2.565 32.200 29.700 -0.108 0.000 1.170 379 E HN 0.684 nan 8.360 nan 0.000 0.415 380 V N -0.931 118.773 119.914 -0.349 0.000 2.680 380 V HA 0.874 4.994 4.120 0.000 0.000 0.309 380 V C -0.479 175.496 176.094 -0.199 0.000 1.052 380 V CA -0.934 61.287 62.300 -0.132 0.000 0.908 380 V CB 1.651 33.513 31.823 0.065 0.000 1.001 380 V HN 0.680 nan 8.190 nan 0.000 0.431 381 A N 2.896 125.684 122.820 -0.053 0.000 2.253 381 A HA 0.537 4.858 4.320 0.000 0.000 0.316 381 A C 0.837 178.450 177.584 0.048 0.000 1.327 381 A CA -0.464 51.574 52.037 0.002 0.000 0.917 381 A CB 0.072 19.078 19.000 0.011 0.000 1.162 381 A HN 0.998 nan 8.150 nan 0.000 0.535 382 E N 1.872 122.131 120.200 0.097 0.000 2.085 382 E HA -0.216 4.134 4.350 0.000 0.000 0.194 382 E C 2.008 178.693 176.600 0.142 0.000 0.994 382 E CA 1.437 57.929 56.400 0.152 0.000 0.801 382 E CB -0.160 29.658 29.700 0.197 0.000 0.743 382 E HN 0.775 nan 8.360 nan 0.000 0.453 383 S N 0.937 116.702 115.700 0.108 0.000 2.400 383 S HA -0.236 4.234 4.470 0.000 0.000 0.234 383 S C 1.866 176.509 174.600 0.071 0.000 1.049 383 S CA 1.507 59.758 58.200 0.086 0.000 1.039 383 S CB -0.124 63.114 63.200 0.064 0.000 0.856 383 S HN 0.218 nan 8.310 nan 0.000 0.465 384 R N -0.284 120.246 120.500 0.050 0.000 2.362 384 R HA 0.382 4.723 4.340 0.000 0.000 0.227 384 R C 0.129 176.425 176.300 -0.007 0.000 0.905 384 R CA -0.145 55.969 56.100 0.022 0.000 1.067 384 R CB 0.117 30.424 30.300 0.011 0.000 1.078 384 R HN 0.438 nan 8.270 nan 0.000 0.516 385 I N 2.026 122.589 120.570 -0.012 0.000 2.683 385 I HA -0.028 4.142 4.170 0.000 0.000 0.286 385 I C 0.050 176.061 176.117 -0.178 0.000 1.175 385 I CA 0.180 61.391 61.300 -0.149 0.000 1.429 385 I CB 0.858 38.733 38.000 -0.208 0.000 1.371 385 I HN -0.239 nan 8.210 nan 0.000 0.569 386 V N 6.158 125.913 119.914 -0.265 0.000 2.417 386 V HA 0.279 4.399 4.120 0.000 0.000 0.291 386 V C -0.595 175.324 176.094 -0.292 0.000 1.024 386 V CA -0.652 61.561 62.300 -0.145 0.000 0.861 386 V CB 1.231 33.018 31.823 -0.061 0.000 0.985 386 V HN 0.569 nan 8.190 nan 0.000 0.436 387 W N 2.139 123.472 121.300 0.055 0.000 2.438 387 W HA 0.577 5.238 4.660 0.002 0.000 0.324 387 W C 0.931 177.501 176.519 0.084 0.000 1.119 387 W CA -0.121 57.261 57.345 0.062 0.000 1.221 387 W CB 1.497 31.034 29.460 0.127 0.000 1.253 387 W HN 0.571 nan 8.180 nan 0.000 0.555 388 S N 1.659 117.517 115.700 0.263 0.000 2.579 388 S HA 0.447 4.917 4.470 0.000 0.000 0.275 388 S C 0.658 175.452 174.600 0.324 0.000 1.345 388 S CA -0.201 58.125 58.200 0.210 0.000 1.031 388 S CB 0.135 63.414 63.200 0.131 0.000 0.892 388 S HN 0.659 nan 8.310 nan 0.000 0.529 389 G N 1.162 110.103 108.800 0.235 0.000 2.664 389 G HA2 0.502 4.462 3.960 0.000 0.000 0.242 389 G HA3 0.502 4.462 3.960 0.000 0.000 0.242 389 G C 0.453 175.518 174.900 0.275 0.000 1.225 389 G CA 0.028 45.263 45.100 0.226 0.000 0.849 389 G HN 1.642 nan 8.290 nan 0.000 0.581 390 G N -1.366 107.579 108.800 0.241 0.000 2.770 390 G HA2 0.158 4.119 3.960 0.000 0.000 0.686 390 G HA3 0.158 4.119 3.960 0.000 0.000 0.686 390 G C 0.346 175.420 174.900 0.290 0.000 1.180 390 G CA 0.170 45.413 45.100 0.238 0.000 0.767 390 G HN 1.113 nan 8.290 nan 0.000 0.646 391 S N 0.362 116.072 115.700 0.018 0.000 2.575 391 S HA 0.210 4.681 4.470 0.000 0.000 0.215 391 S C 1.256 175.665 174.600 -0.318 0.000 0.966 391 S CA 1.121 59.128 58.200 -0.321 0.000 0.911 391 S CB -0.004 62.802 63.200 -0.656 0.000 0.780 391 S HN 0.563 nan 8.310 nan 0.000 0.514 392 Y N 0.247 120.763 120.300 0.360 0.000 2.559 392 Y HA 0.365 4.915 4.550 0.000 0.000 0.279 392 Y C 0.722 176.764 175.900 0.237 0.000 1.117 392 Y CA -0.230 58.033 58.100 0.272 0.000 1.263 392 Y CB 0.187 38.726 38.460 0.131 0.000 1.230 392 Y HN -0.054 nan 8.280 nan 0.000 0.528 393 V N 2.030 122.115 119.914 0.286 0.000 2.435 393 V HA 0.390 4.510 4.120 0.000 0.000 0.290 393 V C -0.333 175.576 176.094 -0.310 0.000 1.030 393 V CA -1.062 61.263 62.300 0.040 0.000 0.881 393 V CB 1.704 33.571 31.823 0.073 0.000 0.983 393 V HN 0.103 nan 8.190 nan 0.000 0.445 394 R N 4.973 125.104 120.500 -0.616 0.000 2.246 394 R HA 0.696 5.036 4.340 0.000 0.000 0.332 394 R C -0.547 175.584 176.300 -0.283 0.000 0.974 394 R CA -0.633 54.806 56.100 -1.102 0.000 0.837 394 R CB 0.652 30.166 30.300 -1.310 0.000 1.145 394 R HN 0.917 nan 8.270 nan 0.000 0.467 395 R N 3.335 123.811 120.500 -0.040 0.000 2.604 395 R HA 0.517 4.858 4.340 0.000 0.000 0.270 395 R C -3.049 173.267 176.300 0.026 0.000 1.052 395 R CA -1.991 54.159 56.100 0.083 0.000 0.902 395 R CB 1.477 31.771 30.300 -0.011 0.000 1.233 395 R HN 0.309 nan 8.270 nan 0.000 0.455 396 P HA 0.168 nan 4.420 nan 0.000 0.279 396 P C 0.049 177.199 177.300 -0.250 0.000 1.239 396 P CA -0.612 62.135 63.100 -0.589 0.000 0.789 396 P CB 1.060 32.268 31.700 -0.820 0.000 0.933 397 L N 0.610 121.713 121.223 -0.201 0.000 2.341 397 L HA 0.108 4.448 4.340 0.000 0.000 0.214 397 L C 1.111 177.913 176.870 -0.114 0.000 1.115 397 L CA 1.029 55.807 54.840 -0.102 0.000 0.820 397 L CB 0.023 42.052 42.059 -0.050 0.000 0.944 397 L HN 0.444 nan 8.230 nan 0.000 0.452 398 S N -0.579 115.015 115.700 -0.177 0.000 2.626 398 S HA 0.444 4.914 4.470 0.000 0.000 0.275 398 S C -1.036 173.455 174.600 -0.181 0.000 1.175 398 S CA -0.476 57.639 58.200 -0.141 0.000 0.982 398 S CB 1.663 64.803 63.200 -0.100 0.000 1.093 398 S HN -0.207 nan 8.310 nan 0.000 0.472 399 V N 6.647 126.481 119.914 -0.133 0.000 2.383 399 V HA 0.394 4.514 4.120 0.000 0.000 0.264 399 V C -2.487 173.589 176.094 -0.031 0.000 1.001 399 V CA -1.726 60.513 62.300 -0.101 0.000 0.828 399 V CB 1.061 32.831 31.823 -0.088 0.000 1.069 399 V HN 0.677 nan 8.190 nan 0.000 0.451 400 P HA 0.023 nan 4.420 nan 0.000 0.261 400 P C -0.885 176.485 177.300 0.117 0.000 1.173 400 P CA 0.518 63.637 63.100 0.032 0.000 0.760 400 P CB 0.135 31.838 31.700 0.006 0.000 0.783 401 F N 2.691 122.599 119.950 -0.069 0.000 2.561 401 F HA 0.681 5.207 4.527 -0.001 0.000 0.313 401 F C -0.273 175.511 175.800 -0.026 0.000 1.126 401 F CA -0.583 57.385 58.000 -0.054 0.000 0.918 401 F CB 1.291 40.223 39.000 -0.114 0.000 1.199 401 F HN 0.195 nan 8.300 nan 0.000 0.444 402 R N 3.979 124.165 120.500 -0.523 0.000 2.637 402 R HA 0.953 5.293 4.340 0.000 0.000 0.291 402 R C -1.608 174.319 176.300 -0.621 0.000 0.963 402 R CA -0.058 55.774 56.100 -0.447 0.000 0.901 402 R CB 0.953 31.128 30.300 -0.209 0.000 1.160 402 R HN 1.187 nan 8.270 nan 0.000 0.457 403 V N 0.000 119.666 119.914 -0.414 0.000 2.409 403 V HA 0.000 4.120 4.120 0.000 0.000 0.244 403 V CA 0.000 62.139 62.300 -0.268 0.000 1.235 403 V CB 0.000 31.689 31.823 -0.223 0.000 1.184 403 V HN 0.000 nan 8.190 nan 0.000 0.556