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 2uvn_1_A 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 ANXXXGATTG 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 PLSVPFRVTS DATA SEQUENCE SR 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 0.000 174.591 174.600 -0.015 0.000 1.055 6 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 6 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 7 H N -0.104 118.940 119.070 -0.044 0.000 2.830 7 H HA 0.654 5.210 4.556 0.001 0.000 0.382 7 H C 0.440 175.741 175.328 -0.044 0.000 1.423 7 H CA 1.475 57.491 56.048 -0.053 0.000 1.464 7 H CB -0.081 29.630 29.762 -0.085 0.000 1.495 7 H HN 1.010 nan 8.280 nan 0.000 0.617 8 E N -0.730 119.443 120.200 -0.044 0.000 2.322 8 E HA 0.371 4.722 4.350 0.001 0.000 0.257 8 E C -0.460 176.117 176.600 -0.038 0.000 1.155 8 E CA -0.629 55.748 56.400 -0.039 0.000 0.936 8 E CB 0.228 29.927 29.700 -0.002 0.000 1.130 8 E HN 0.536 nan 8.360 nan 0.000 0.465 9 F N 1.837 121.691 119.950 -0.160 0.000 2.629 9 F HA 0.110 4.638 4.527 0.001 0.000 0.369 9 F C -0.013 175.789 175.800 0.003 0.000 1.125 9 F CA 1.035 59.003 58.000 -0.053 0.000 1.330 9 F CB 0.288 39.299 39.000 0.017 0.000 1.071 9 F HN 0.305 nan 8.300 nan 0.000 0.595 10 Q N 6.749 125.766 119.800 -1.306 0.000 2.429 10 Q HA 0.237 4.577 4.340 0.001 0.000 0.247 10 Q C -1.726 173.640 176.000 -1.058 0.000 0.915 10 Q CA -0.751 54.538 55.803 -0.857 0.000 0.971 10 Q CB 0.988 29.463 28.738 -0.438 0.000 1.468 10 Q HN 0.787 nan 8.270 nan 0.000 0.439 11 L N 2.633 123.421 121.223 -0.725 0.000 2.593 11 L HA 0.139 4.480 4.340 0.001 0.000 0.287 11 L C 0.798 177.314 176.870 -0.590 0.000 1.243 11 L CA 0.502 55.033 54.840 -0.515 0.000 0.890 11 L CB 0.228 42.136 42.059 -0.253 0.000 1.134 11 L HN 0.777 nan 8.230 nan 0.000 0.502 12 A N 3.056 125.428 122.820 -0.747 0.000 2.425 12 A HA 0.494 4.815 4.320 0.001 0.000 0.242 12 A C 0.357 177.411 177.584 -0.884 0.000 1.077 12 A CA 0.212 51.604 52.037 -1.076 0.000 0.781 12 A CB 0.307 18.020 19.000 -2.145 0.000 1.020 12 A HN 0.796 nan 8.150 nan 0.000 0.494 13 T N -2.737 111.330 114.554 -0.812 0.000 2.838 13 T HA 0.632 4.983 4.350 0.001 0.000 0.292 13 T C 0.991 175.476 174.700 -0.357 0.000 1.113 13 T CA -0.030 61.793 62.100 -0.460 0.000 1.008 13 T CB 1.233 69.931 68.868 -0.283 0.000 1.259 13 T HN 1.426 nan 8.240 nan 0.000 0.520 14 A N 0.300 123.082 122.820 -0.063 0.000 1.940 14 A HA -0.068 4.253 4.320 0.001 0.000 0.219 14 A C 1.969 179.611 177.584 0.096 0.000 1.176 14 A CA 1.979 54.106 52.037 0.151 0.000 0.631 14 A CB -1.110 17.986 19.000 0.160 0.000 0.814 14 A HN 0.881 nan 8.150 nan 0.000 0.446 15 E N -0.546 119.636 120.200 -0.029 0.000 2.152 15 E HA -0.072 4.278 4.350 0.001 0.000 0.192 15 E C 2.116 178.638 176.600 -0.130 0.000 0.983 15 E CA 1.649 58.023 56.400 -0.044 0.000 0.818 15 E CB -0.384 29.276 29.700 -0.067 0.000 0.758 15 E HN 0.811 nan 8.360 nan 0.000 0.467 16 T N -3.364 111.033 114.554 -0.261 0.000 3.065 16 T HA -0.012 4.339 4.350 0.001 0.000 0.252 16 T C 1.558 176.000 174.700 -0.430 0.000 1.099 16 T CA -0.232 61.650 62.100 -0.363 0.000 1.063 16 T CB -0.518 68.080 68.868 -0.451 0.000 0.948 16 T HN 0.244 nan 8.240 nan 0.000 0.506 17 W N 2.085 123.096 121.300 -0.482 0.000 2.364 17 W HA 0.007 4.668 4.660 0.001 0.000 0.281 17 W C -1.095 174.712 176.519 -1.186 0.000 1.219 17 W CA -0.218 56.664 57.345 -0.772 0.000 1.220 17 W CB -0.850 28.191 29.460 -0.698 0.000 1.127 17 W HN 0.339 nan 8.180 nan 0.000 0.556 18 P HA -0.196 nan 4.420 nan 0.000 0.214 18 P C 0.459 177.415 177.300 -0.574 0.000 1.163 18 P CA 1.812 64.564 63.100 -0.580 0.000 0.883 18 P CB 0.026 31.648 31.700 -0.129 0.000 0.788 19 N N -2.124 116.219 118.700 -0.595 0.000 2.733 19 N HA 0.138 4.879 4.740 0.001 0.000 0.271 19 N C -2.127 172.858 175.510 -0.875 0.000 1.720 19 N CA -1.814 50.772 53.050 -0.773 0.000 0.803 19 N CB 0.186 38.465 38.487 -0.347 0.000 1.208 19 N HN -0.041 nan 8.380 nan 0.000 0.498 20 P HA 0.000 nan 4.420 nan 0.000 0.241 20 P C 0.852 177.595 177.300 -0.928 0.000 1.191 20 P CA 0.275 62.777 63.100 -0.998 0.000 0.771 20 P CB -0.031 31.099 31.700 -0.949 0.000 0.929 21 W N 1.112 122.135 121.300 -0.460 0.000 2.325 21 W HA -0.121 4.539 4.660 0.001 0.000 0.299 21 W C -0.662 175.775 176.519 -0.137 0.000 1.215 21 W CA 0.230 57.409 57.345 -0.277 0.000 1.244 21 W CB -2.518 26.886 29.460 -0.093 0.000 1.140 21 W HN 0.181 nan 8.180 nan 0.000 0.523 22 P HA -0.189 nan 4.420 nan 0.000 0.220 22 P C 1.743 179.075 177.300 0.054 0.000 1.152 22 P CA 1.561 64.697 63.100 0.060 0.000 0.812 22 P CB -0.305 31.400 31.700 0.009 0.000 0.792 23 M N -1.865 117.715 119.600 -0.033 0.000 2.117 23 M HA -0.212 4.269 4.480 0.001 0.000 0.262 23 M C 1.611 178.051 176.300 0.233 0.000 1.065 23 M CA 1.943 57.264 55.300 0.035 0.000 1.114 23 M CB -0.616 31.950 32.600 -0.056 0.000 1.361 23 M HN -0.150 nan 8.290 nan 0.000 0.408 24 Y N 0.678 121.063 120.300 0.142 0.000 2.070 24 Y HA -0.232 4.319 4.550 0.001 0.000 0.280 24 Y C 2.748 178.725 175.900 0.127 0.000 1.148 24 Y CA 1.945 60.147 58.100 0.169 0.000 1.125 24 Y CB -1.569 37.036 38.460 0.241 0.000 0.975 24 Y HN 0.385 nan 8.280 nan 0.000 0.492 25 R N 0.547 121.231 120.500 0.306 0.000 2.096 25 R HA -0.229 4.112 4.340 0.001 0.000 0.240 25 R C 2.368 178.748 176.300 0.133 0.000 1.139 25 R CA 1.664 57.872 56.100 0.181 0.000 0.952 25 R CB -0.504 29.884 30.300 0.146 0.000 0.854 25 R HN 0.288 nan 8.270 nan 0.000 0.436 26 A N 1.297 124.211 122.820 0.157 0.000 1.869 26 A HA -0.228 4.093 4.320 0.001 0.000 0.218 26 A C 2.268 179.950 177.584 0.164 0.000 1.203 26 A CA 1.928 54.075 52.037 0.183 0.000 0.638 26 A CB -0.895 18.189 19.000 0.141 0.000 0.831 26 A HN 0.396 nan 8.150 nan 0.000 0.450 27 L N -1.263 120.041 121.223 0.134 0.000 1.970 27 L HA -0.262 4.079 4.340 0.001 0.000 0.212 27 L C 2.955 179.873 176.870 0.081 0.000 1.071 27 L CA 1.947 56.844 54.840 0.095 0.000 0.751 27 L CB -0.611 41.509 42.059 0.101 0.000 0.889 27 L HN 0.391 nan 8.230 nan 0.000 0.432 28 R N 0.023 120.570 120.500 0.079 0.000 2.094 28 R HA -0.196 4.145 4.340 0.001 0.000 0.239 28 R C 1.837 178.123 176.300 -0.023 0.000 1.137 28 R CA 1.906 58.032 56.100 0.044 0.000 0.943 28 R CB -0.602 29.736 30.300 0.064 0.000 0.850 28 R HN 0.429 nan 8.270 nan 0.000 0.433 29 D N -1.084 119.246 120.400 -0.117 0.000 2.312 29 D HA -0.060 4.581 4.640 0.001 0.000 0.211 29 D C 0.939 176.903 176.300 -0.559 0.000 0.964 29 D CA 1.271 55.054 54.000 -0.362 0.000 0.877 29 D CB 0.103 40.583 40.800 -0.532 0.000 0.924 29 D HN 0.519 nan 8.370 nan 0.000 0.515 30 H N -1.970 117.137 119.070 0.062 0.000 3.771 30 H HA 0.224 4.781 4.556 0.001 0.000 0.260 30 H C -0.476 174.897 175.328 0.075 0.000 1.158 30 H CA -0.203 55.881 56.048 0.060 0.000 1.170 30 H CB 1.366 31.158 29.762 0.051 0.000 1.539 30 H HN -0.173 nan 8.280 nan 0.000 0.634 31 D N -0.353 120.147 120.400 0.166 0.000 3.118 31 D HA 0.139 4.780 4.640 0.001 0.000 0.259 31 D C -2.173 174.216 176.300 0.149 0.000 1.292 31 D CA -1.383 52.723 54.000 0.176 0.000 0.784 31 D CB 0.820 41.758 40.800 0.231 0.000 1.413 31 D HN -0.078 nan 8.370 nan 0.000 0.583 32 P HA -0.107 nan 4.420 nan 0.000 0.218 32 P C 0.194 177.551 177.300 0.095 0.000 1.146 32 P CA 0.849 63.999 63.100 0.083 0.000 0.813 32 P CB 0.414 32.152 31.700 0.064 0.000 0.778 33 V N -0.915 119.077 119.914 0.130 0.000 2.320 33 V HA 0.148 4.269 4.120 0.001 0.000 0.257 33 V C -0.261 175.984 176.094 0.252 0.000 0.996 33 V CA -0.817 61.576 62.300 0.157 0.000 0.928 33 V CB -0.425 31.459 31.823 0.101 0.000 1.169 33 V HN 0.077 nan 8.190 nan 0.000 0.475 34 H N 2.489 121.634 119.070 0.125 0.000 2.848 34 H HA 0.267 4.824 4.556 0.001 0.000 0.317 34 H C 0.030 175.406 175.328 0.080 0.000 1.046 34 H CA 0.320 56.425 56.048 0.096 0.000 1.470 34 H CB 0.342 30.117 29.762 0.022 0.000 1.483 34 H HN 0.681 nan 8.280 nan 0.000 0.548 35 H N 5.108 123.825 119.070 -0.589 0.000 2.552 35 H HA 0.401 4.958 4.556 0.001 0.000 0.311 35 H C -0.946 173.812 175.328 -0.951 0.000 1.071 35 H CA -0.981 54.583 56.048 -0.806 0.000 1.307 35 H CB 0.605 30.077 29.762 -0.484 0.000 1.416 35 H HN 0.349 nan 8.280 nan 0.000 0.464 36 V N 6.509 125.916 119.914 -0.846 0.000 2.435 36 V HA 0.181 4.302 4.120 0.001 0.000 0.290 36 V C -0.357 175.293 176.094 -0.740 0.000 1.030 36 V CA -0.661 61.148 62.300 -0.818 0.000 0.881 36 V CB 1.609 32.761 31.823 -1.118 0.000 0.983 36 V HN 0.558 nan 8.190 nan 0.000 0.445 37 V N 6.231 125.833 119.914 -0.519 0.000 2.385 37 V HA 0.308 4.429 4.120 0.001 0.000 0.277 37 V C -2.523 173.475 176.094 -0.161 0.000 1.012 37 V CA -1.821 60.265 62.300 -0.357 0.000 0.832 37 V CB 1.413 32.986 31.823 -0.417 0.000 1.028 37 V HN 0.740 nan 8.190 nan 0.000 0.436 38 P HA 0.053 nan 4.420 nan 0.000 0.257 38 P C -1.492 175.798 177.300 -0.017 0.000 1.189 38 P CA -0.668 62.449 63.100 0.028 0.000 0.780 38 P CB 0.388 32.173 31.700 0.141 0.000 0.772 39 P HA -0.281 nan 4.420 nan 0.000 0.217 39 P C 1.043 178.324 177.300 -0.031 0.000 1.148 39 P CA 1.720 64.799 63.100 -0.036 0.000 0.834 39 P CB 0.132 31.815 31.700 -0.028 0.000 0.783 40 Q N -0.985 118.808 119.800 -0.013 0.000 2.226 40 Q HA 0.013 4.354 4.340 0.001 0.000 0.199 40 Q C 0.837 176.815 176.000 -0.037 0.000 0.945 40 Q CA 0.986 56.780 55.803 -0.015 0.000 0.861 40 Q CB -0.222 28.521 28.738 0.007 0.000 0.953 40 Q HN 0.131 nan 8.270 nan 0.000 0.490 41 R N 1.633 122.116 120.500 -0.028 0.000 2.860 41 R HA 0.360 4.701 4.340 0.001 0.000 0.282 41 R C -2.141 174.067 176.300 -0.154 0.000 1.408 41 R CA -2.348 53.678 56.100 -0.124 0.000 1.636 41 R CB 0.629 30.904 30.300 -0.042 0.000 1.187 41 R HN 0.127 nan 8.270 nan 0.000 0.611 42 P HA -0.139 nan 4.420 nan 0.000 0.221 42 P C 0.298 177.513 177.300 -0.142 0.000 1.145 42 P CA 1.061 64.090 63.100 -0.119 0.000 0.795 42 P CB 0.441 32.079 31.700 -0.104 0.000 0.775 43 E N -1.921 118.104 120.200 -0.292 0.000 2.418 43 E HA -0.122 4.229 4.350 0.001 0.000 0.197 43 E C 0.547 177.012 176.600 -0.225 0.000 1.026 43 E CA 0.780 56.991 56.400 -0.315 0.000 0.862 43 E CB -0.806 28.616 29.700 -0.463 0.000 0.799 43 E HN 0.516 nan 8.360 nan 0.000 0.518 44 Y N 1.862 122.134 120.300 -0.046 0.000 2.756 44 Y HA 0.085 4.635 4.550 0.001 0.000 0.300 44 Y C 0.295 176.404 175.900 0.348 0.000 1.113 44 Y CA -1.182 56.953 58.100 0.058 0.000 1.291 44 Y CB 0.060 38.678 38.460 0.263 0.000 1.175 44 Y HN 0.055 nan 8.280 nan 0.000 0.534 45 D N 0.653 121.223 120.400 0.282 0.000 2.382 45 D HA 0.038 4.679 4.640 0.001 0.000 0.240 45 D C -0.351 176.181 176.300 0.387 0.000 1.146 45 D CA 0.323 54.432 54.000 0.181 0.000 0.897 45 D CB 1.060 41.920 40.800 0.100 0.000 1.197 45 D HN 0.373 nan 8.370 nan 0.000 0.432 46 Y N -2.275 118.085 120.300 0.101 0.000 2.744 46 Y HA 0.609 5.160 4.550 0.001 0.000 0.330 46 Y C -1.723 174.034 175.900 -0.237 0.000 1.263 46 Y CA -1.484 56.667 58.100 0.085 0.000 1.065 46 Y CB 0.830 39.378 38.460 0.147 0.000 1.306 46 Y HN 0.289 nan 8.280 nan 0.000 0.459 47 Y N -0.137 120.338 120.300 0.292 0.000 2.549 47 Y HA 0.751 5.302 4.550 0.001 0.000 0.339 47 Y C -0.834 175.127 175.900 0.101 0.000 1.053 47 Y CA -1.392 56.773 58.100 0.108 0.000 1.105 47 Y CB 2.433 40.928 38.460 0.059 0.000 1.258 47 Y HN 0.490 nan 8.280 nan 0.000 0.478 48 V N 3.487 123.481 119.914 0.133 0.000 2.525 48 V HA 0.362 4.483 4.120 0.001 0.000 0.299 48 V C -0.798 175.301 176.094 0.010 0.000 1.034 48 V CA -0.889 61.393 62.300 -0.031 0.000 0.863 48 V CB 1.610 33.224 31.823 -0.349 0.000 0.999 48 V HN 0.532 nan 8.190 nan 0.000 0.423 49 L N 4.114 125.315 121.223 -0.037 0.000 2.272 49 L HA 0.476 4.817 4.340 0.001 0.000 0.289 49 L C 1.016 177.846 176.870 -0.067 0.000 1.032 49 L CA -0.012 54.804 54.840 -0.040 0.000 0.810 49 L CB 1.882 43.889 42.059 -0.087 0.000 1.205 49 L HN 0.843 nan 8.230 nan 0.000 0.422 50 S N 1.231 116.914 115.700 -0.027 0.000 2.549 50 S HA 0.222 4.693 4.470 0.001 0.000 0.225 50 S C 0.728 175.332 174.600 0.008 0.000 1.039 50 S CA -0.548 57.629 58.200 -0.037 0.000 0.942 50 S CB 0.286 63.484 63.200 -0.003 0.000 0.881 50 S HN 0.522 nan 8.310 nan 0.000 0.503 51 R N 1.750 122.271 120.500 0.035 0.000 2.340 51 R HA 0.295 4.636 4.340 0.001 0.000 0.300 51 R C 1.225 177.591 176.300 0.110 0.000 1.069 51 R CA -0.373 55.775 56.100 0.079 0.000 0.984 51 R CB 0.290 30.635 30.300 0.075 0.000 1.003 51 R HN 0.314 nan 8.270 nan 0.000 0.459 52 H N 3.298 122.411 119.070 0.072 0.000 2.325 52 H HA -0.267 4.290 4.556 0.001 0.000 0.293 52 H C 1.456 176.889 175.328 0.174 0.000 1.106 52 H CA 2.692 58.800 56.048 0.100 0.000 1.247 52 H CB 0.280 30.075 29.762 0.055 0.000 1.359 52 H HN 0.760 nan 8.280 nan 0.000 0.488 53 A N 1.147 124.154 122.820 0.311 0.000 1.865 53 A HA -0.201 4.120 4.320 0.001 0.000 0.217 53 A C 2.297 179.972 177.584 0.152 0.000 1.191 53 A CA 1.967 54.178 52.037 0.290 0.000 0.623 53 A CB -0.504 18.618 19.000 0.203 0.000 0.826 53 A HN 0.558 nan 8.150 nan 0.000 0.444 54 D N -0.224 120.224 120.400 0.079 0.000 2.097 54 D HA -0.102 4.539 4.640 0.001 0.000 0.195 54 D C 2.144 178.422 176.300 -0.036 0.000 0.989 54 D CA 1.589 55.594 54.000 0.009 0.000 0.827 54 D CB -0.626 40.172 40.800 -0.003 0.000 0.966 54 D HN 0.232 nan 8.370 nan 0.000 0.456 55 V N 0.736 120.638 119.914 -0.020 0.000 2.332 55 V HA -0.221 3.899 4.120 0.001 0.000 0.248 55 V C 2.188 178.327 176.094 0.075 0.000 1.055 55 V CA 1.330 63.608 62.300 -0.038 0.000 1.038 55 V CB -0.546 31.262 31.823 -0.026 0.000 0.651 55 V HN 0.266 nan 8.190 nan 0.000 0.450 56 W N 1.330 122.543 121.300 -0.145 0.000 2.333 56 W HA -0.190 4.470 4.660 0.001 0.000 0.316 56 W C 2.780 179.281 176.519 -0.030 0.000 1.215 56 W CA 1.807 59.099 57.345 -0.087 0.000 1.278 56 W CB -0.925 28.433 29.460 -0.169 0.000 1.154 56 W HN 0.220 nan 8.180 nan 0.000 0.486 57 S N 0.425 116.137 115.700 0.019 0.000 2.359 57 S HA -0.192 4.279 4.470 0.001 0.000 0.224 57 S C 2.088 176.650 174.600 -0.063 0.000 1.035 57 S CA 1.918 60.055 58.200 -0.105 0.000 1.018 57 S CB -1.080 62.073 63.200 -0.079 0.000 0.876 57 S HN 0.340 nan 8.310 nan 0.000 0.448 58 A N 1.703 124.407 122.820 -0.193 0.000 1.883 58 A HA -0.011 4.310 4.320 0.001 0.000 0.217 58 A C 2.386 179.873 177.584 -0.162 0.000 1.186 58 A CA 1.957 53.664 52.037 -0.550 0.000 0.624 58 A CB -1.253 17.173 19.000 -0.957 0.000 0.822 58 A HN 0.538 nan 8.150 nan 0.000 0.444 59 A N -0.292 122.539 122.820 0.018 0.000 1.883 59 A HA -0.197 4.124 4.320 0.001 0.000 0.217 59 A C 2.276 180.006 177.584 0.243 0.000 1.186 59 A CA 1.708 53.865 52.037 0.200 0.000 0.624 59 A CB -0.471 18.745 19.000 0.361 0.000 0.822 59 A HN 0.589 nan 8.150 nan 0.000 0.444 60 R N -0.520 120.104 120.500 0.206 0.000 2.062 60 R HA -0.078 4.263 4.340 0.001 0.000 0.229 60 R C 0.453 176.850 176.300 0.160 0.000 1.128 60 R CA 1.022 57.230 56.100 0.180 0.000 0.960 60 R CB -0.466 29.861 30.300 0.044 0.000 0.855 60 R HN 0.455 nan 8.270 nan 0.000 0.432 61 D N 1.369 121.837 120.400 0.113 0.000 2.597 61 D HA -0.050 4.590 4.640 0.001 0.000 0.228 61 D C 0.812 177.184 176.300 0.120 0.000 1.120 61 D CA -0.049 53.991 54.000 0.066 0.000 1.083 61 D CB -0.073 40.813 40.800 0.143 0.000 1.116 61 D HN 0.361 nan 8.370 nan 0.000 0.487 62 H N 0.119 119.277 119.070 0.148 0.000 2.518 62 H HA -0.056 4.501 4.556 0.001 0.000 0.289 62 H C 1.466 176.851 175.328 0.095 0.000 1.051 62 H CA 0.980 57.114 56.048 0.144 0.000 1.280 62 H CB -0.128 29.695 29.762 0.101 0.000 1.380 62 H HN 0.348 nan 8.280 nan 0.000 0.566 63 Q N 0.207 119.823 119.800 -0.308 0.000 2.079 63 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 63 Q C 1.735 177.669 176.000 -0.109 0.000 0.974 63 Q CA 1.949 57.647 55.803 -0.175 0.000 0.840 63 Q CB 0.121 28.716 28.738 -0.238 0.000 0.898 63 Q HN 0.558 nan 8.270 nan 0.000 0.430 64 T N -0.098 114.365 114.554 -0.152 0.000 2.939 64 T HA 0.035 4.386 4.350 0.001 0.000 0.254 64 T C -0.005 174.404 174.700 -0.486 0.000 1.041 64 T CA 0.554 62.446 62.100 -0.347 0.000 1.142 64 T CB 0.074 68.645 68.868 -0.495 0.000 0.874 64 T HN 0.010 nan 8.240 nan 0.000 0.452 65 F N 2.328 122.281 119.950 0.005 0.000 2.291 65 F HA 0.513 5.041 4.527 0.001 0.000 0.368 65 F C 0.701 176.534 175.800 0.055 0.000 1.085 65 F CA -0.934 57.081 58.000 0.026 0.000 1.165 65 F CB 0.615 39.632 39.000 0.029 0.000 1.429 65 F HN -0.050 nan 8.300 nan 0.000 0.503 66 S N 1.222 117.005 115.700 0.138 0.000 2.600 66 S HA 0.250 4.720 4.470 0.001 0.000 0.265 66 S C 1.109 175.764 174.600 0.092 0.000 1.325 66 S CA -0.217 58.051 58.200 0.113 0.000 1.002 66 S CB 0.991 64.227 63.200 0.059 0.000 0.921 66 S HN 0.594 nan 8.310 nan 0.000 0.554 67 S N 1.710 117.443 115.700 0.055 0.000 2.665 67 S HA 0.248 4.719 4.470 0.001 0.000 0.240 67 S C 1.863 176.424 174.600 -0.065 0.000 1.081 67 S CA 0.272 58.449 58.200 -0.038 0.000 0.887 67 S CB -0.306 62.810 63.200 -0.140 0.000 0.805 67 S HN 0.861 nan 8.310 nan 0.000 0.486 68 A N 0.964 123.766 122.820 -0.030 0.000 2.272 68 A HA -0.103 4.218 4.320 0.001 0.000 0.213 68 A C 1.854 179.421 177.584 -0.028 0.000 1.183 68 A CA 1.296 53.314 52.037 -0.032 0.000 0.719 68 A CB -0.385 18.613 19.000 -0.002 0.000 0.771 68 A HN 0.335 nan 8.150 nan 0.000 0.484 69 Q N -1.236 118.549 119.800 -0.025 0.000 2.391 69 Q HA 0.379 4.720 4.340 0.001 0.000 0.211 69 Q C 0.677 176.644 176.000 -0.054 0.000 0.908 69 Q CA 1.029 56.821 55.803 -0.019 0.000 0.920 69 Q CB 0.511 29.255 28.738 0.009 0.000 1.056 69 Q HN 0.775 nan 8.270 nan 0.000 0.523 70 G N -1.570 107.179 108.800 -0.086 0.000 2.350 70 G HA2 0.087 4.048 3.960 0.001 0.000 0.305 70 G HA3 0.087 4.048 3.960 0.001 0.000 0.305 70 G C -0.931 173.868 174.900 -0.168 0.000 1.479 70 G CA -0.606 44.415 45.100 -0.133 0.000 0.949 70 G HN 0.040 nan 8.290 nan 0.000 0.651 71 L N 0.356 121.446 121.223 -0.221 0.000 2.858 71 L HA 0.312 4.653 4.340 0.001 0.000 0.251 71 L C 1.403 178.020 176.870 -0.422 0.000 1.149 71 L CA 0.709 55.391 54.840 -0.264 0.000 0.955 71 L CB 0.620 42.539 42.059 -0.234 0.000 1.289 71 L HN 0.858 nan 8.230 nan 0.000 0.542 72 T N -3.721 110.557 114.554 -0.459 0.000 2.926 72 T HA 0.286 4.637 4.350 0.001 0.000 0.289 72 T C 0.859 175.313 174.700 -0.411 0.000 1.054 72 T CA -0.266 61.468 62.100 -0.609 0.000 1.015 72 T CB 1.962 70.480 68.868 -0.584 0.000 1.167 72 T HN -0.145 nan 8.240 nan 0.000 0.526 73 V N -0.904 118.803 119.914 -0.345 0.000 3.592 73 V HA 0.236 4.357 4.120 0.001 0.000 0.272 73 V C 0.729 176.467 176.094 -0.594 0.000 1.228 73 V CA 0.260 62.185 62.300 -0.625 0.000 1.173 73 V CB -1.766 29.397 31.823 -1.100 0.000 0.873 73 V HN 0.882 nan 8.190 nan 0.000 0.476 74 N N -0.045 118.425 118.700 -0.383 0.000 2.437 74 N HA 0.189 4.930 4.740 0.001 0.000 0.243 74 N C 0.342 175.647 175.510 -0.342 0.000 1.041 74 N CA -0.576 52.304 53.050 -0.283 0.000 0.940 74 N CB 0.532 38.944 38.487 -0.126 0.000 1.133 74 N HN 0.368 nan 8.380 nan 0.000 0.506 75 Y N 2.242 122.394 120.300 -0.247 0.000 2.483 75 Y HA 0.011 4.562 4.550 0.001 0.000 0.291 75 Y C 2.242 178.017 175.900 -0.209 0.000 1.143 75 Y CA 0.919 58.876 58.100 -0.237 0.000 1.289 75 Y CB 0.200 38.458 38.460 -0.337 0.000 0.983 75 Y HN 0.665 nan 8.280 nan 0.000 0.556 76 G N -0.921 107.817 108.800 -0.104 0.000 3.141 76 G HA2 -0.051 3.910 3.960 0.001 0.000 0.218 76 G HA3 -0.051 3.910 3.960 0.001 0.000 0.218 76 G C 1.278 176.149 174.900 -0.048 0.000 1.170 76 G CA 0.045 45.106 45.100 -0.064 0.000 0.769 76 G HN 0.401 nan 8.290 nan 0.000 0.546 77 E N -0.125 120.032 120.200 -0.072 0.000 2.108 77 E HA -0.192 4.159 4.350 0.001 0.000 0.203 77 E C 1.472 178.043 176.600 -0.048 0.000 1.022 77 E CA 0.968 57.325 56.400 -0.071 0.000 0.823 77 E CB -0.002 29.630 29.700 -0.114 0.000 0.744 77 E HN 0.303 nan 8.360 nan 0.000 0.456 78 L N 0.607 121.807 121.223 -0.038 0.000 2.612 78 L HA 0.168 4.508 4.340 0.001 0.000 0.230 78 L C 1.065 177.925 176.870 -0.017 0.000 1.140 78 L CA 0.694 55.517 54.840 -0.028 0.000 0.896 78 L CB -0.184 41.862 42.059 -0.022 0.000 1.065 78 L HN 0.128 nan 8.230 nan 0.000 0.447 79 E N -1.106 119.086 120.200 -0.015 0.000 3.432 79 E HA 0.291 4.642 4.350 0.001 0.000 0.385 79 E C 1.248 177.842 176.600 -0.009 0.000 0.439 79 E CA 0.142 56.538 56.400 -0.007 0.000 2.317 79 E CB 0.486 30.186 29.700 -0.000 0.000 2.175 79 E HN -0.061 nan 8.360 nan 0.000 0.450 80 M N -0.604 118.993 119.600 -0.005 0.000 2.662 80 M HA 0.280 4.761 4.480 0.001 0.000 0.214 80 M C -0.038 176.262 176.300 -0.000 0.000 1.737 80 M CA -0.116 55.181 55.300 -0.005 0.000 1.143 80 M CB 0.078 32.675 32.600 -0.005 0.000 1.350 80 M HN 0.225 nan 8.290 nan 0.000 0.572 81 I N 1.150 121.723 120.570 0.006 0.000 2.634 81 I HA 0.347 4.518 4.170 0.001 0.000 0.284 81 I C 1.397 177.524 176.117 0.017 0.000 1.124 81 I CA 1.236 62.544 61.300 0.013 0.000 1.417 81 I CB 0.284 38.297 38.000 0.022 0.000 1.396 81 I HN 0.717 nan 8.210 nan 0.000 0.571 82 G N 4.100 112.918 108.800 0.031 0.000 4.244 82 G HA2 -0.234 3.726 3.960 0.001 0.000 0.222 82 G HA3 -0.234 3.726 3.960 0.001 0.000 0.222 82 G C 0.747 175.692 174.900 0.076 0.000 1.665 82 G CA -0.112 45.015 45.100 0.046 0.000 1.315 82 G HN 0.604 nan 8.290 nan 0.000 0.637 83 L N -0.453 120.801 121.223 0.051 0.000 4.474 83 L HA -0.406 3.934 4.340 0.001 0.000 0.053 83 L C 1.758 178.727 176.870 0.165 0.000 2.806 83 L CA 3.081 57.962 54.840 0.069 0.000 1.800 83 L CB -1.462 40.623 42.059 0.043 0.000 2.643 83 L HN 1.156 nan 8.230 nan 0.000 0.744 84 H N -1.268 117.813 119.070 0.019 0.000 4.891 84 H HA -0.284 4.272 4.556 0.001 0.000 0.059 84 H C 0.567 175.930 175.328 0.059 0.000 0.587 84 H CA 1.423 57.492 56.048 0.034 0.000 0.970 84 H CB -0.759 29.023 29.762 0.033 0.000 0.535 84 H HN 0.677 nan 8.280 nan 0.000 0.802 85 D N 1.581 122.031 120.400 0.084 0.000 2.622 85 D HA 0.290 4.931 4.640 0.001 0.000 0.262 85 D C -0.725 175.652 176.300 0.129 0.000 1.189 85 D CA 0.837 54.875 54.000 0.063 0.000 0.985 85 D CB 0.174 40.986 40.800 0.019 0.000 0.994 85 D HN 0.547 nan 8.370 nan 0.000 0.513 86 T N -0.929 113.670 114.554 0.075 0.000 2.889 86 T HA 0.611 4.962 4.350 0.001 0.000 0.315 86 T C -2.894 171.806 174.700 0.001 0.000 1.291 86 T CA -1.708 60.390 62.100 -0.003 0.000 1.028 86 T CB 1.397 70.249 68.868 -0.027 0.000 1.235 86 T HN -0.183 nan 8.240 nan 0.000 0.491 87 P HA 0.320 nan 4.420 nan 0.000 0.271 87 P C -1.958 175.343 177.300 0.001 0.000 1.216 87 P CA -1.257 61.837 63.100 -0.011 0.000 0.776 87 P CB 0.170 31.847 31.700 -0.040 0.000 0.881 88 P HA -0.039 nan 4.420 nan 0.000 0.222 88 P C 0.352 177.664 177.300 0.019 0.000 1.147 88 P CA 1.328 64.447 63.100 0.031 0.000 0.790 88 P CB 0.232 31.985 31.700 0.088 0.000 0.780 89 M N -0.868 118.746 119.600 0.023 0.000 2.535 89 M HA 0.415 4.895 4.480 0.001 0.000 0.314 89 M C -1.420 174.861 176.300 -0.032 0.000 1.153 89 M CA -1.136 54.171 55.300 0.012 0.000 0.924 89 M CB 2.578 35.217 32.600 0.066 0.000 1.710 89 M HN -0.436 nan 8.290 nan 0.000 0.451 90 V N 6.303 126.184 119.914 -0.056 0.000 2.394 90 V HA 0.451 4.571 4.120 0.001 0.000 0.282 90 V C -0.508 175.517 176.094 -0.115 0.000 1.031 90 V CA -0.673 61.576 62.300 -0.086 0.000 0.881 90 V CB 1.597 33.377 31.823 -0.072 0.000 0.982 90 V HN 0.875 nan 8.190 nan 0.000 0.451 91 M N 5.618 125.121 119.600 -0.162 0.000 2.216 91 M HA 0.455 4.936 4.480 0.001 0.000 0.356 91 M C 0.092 176.305 176.300 -0.144 0.000 1.205 91 M CA -0.137 55.040 55.300 -0.204 0.000 1.122 91 M CB 1.299 33.648 32.600 -0.418 0.000 1.571 91 M HN 0.632 nan 8.290 nan 0.000 0.464 92 Q N 1.214 121.000 119.800 -0.022 0.000 2.189 92 Q HA 0.388 4.729 4.340 0.001 0.000 0.193 92 Q C -0.674 175.379 176.000 0.087 0.000 1.034 92 Q CA -0.208 55.624 55.803 0.049 0.000 1.062 92 Q CB 0.781 29.579 28.738 0.100 0.000 1.118 92 Q HN 0.506 nan 8.270 nan 0.000 0.569 93 D N 0.055 120.521 120.400 0.111 0.000 2.350 93 D HA 0.431 5.072 4.640 0.001 0.000 0.238 93 D C -2.356 173.996 176.300 0.086 0.000 0.989 93 D CA -1.558 52.502 54.000 0.100 0.000 0.921 93 D CB 1.276 42.161 40.800 0.141 0.000 1.297 93 D HN 0.066 nan 8.370 nan 0.000 0.490 94 P HA 0.086 nan 4.420 nan 0.000 0.269 94 P C -1.588 175.758 177.300 0.077 0.000 1.209 94 P CA -0.726 62.367 63.100 -0.013 0.000 0.776 94 P CB 0.403 31.986 31.700 -0.196 0.000 0.876 95 P HA -0.055 nan 4.420 nan 0.000 0.224 95 P C 1.156 178.488 177.300 0.053 0.000 1.157 95 P CA 0.767 63.895 63.100 0.046 0.000 0.799 95 P CB 0.025 31.749 31.700 0.040 0.000 0.809 96 V N 1.090 121.045 119.914 0.068 0.000 2.250 96 V HA -0.287 3.834 4.120 0.001 0.000 0.250 96 V C 2.720 178.876 176.094 0.102 0.000 1.060 96 V CA 2.587 64.931 62.300 0.072 0.000 1.030 96 V CB -2.000 29.866 31.823 0.072 0.000 0.643 96 V HN 0.236 nan 8.190 nan 0.000 0.445 97 H N 0.450 119.539 119.070 0.032 0.000 2.489 97 H HA -0.116 4.440 4.556 0.001 0.000 0.293 97 H C 2.195 177.577 175.328 0.089 0.000 1.066 97 H CA 1.847 57.938 56.048 0.072 0.000 1.305 97 H CB -0.306 29.500 29.762 0.073 0.000 1.386 97 H HN 0.458 nan 8.280 nan 0.000 0.551 98 T N -0.026 114.516 114.554 -0.019 0.000 2.759 98 T HA -0.206 4.145 4.350 0.001 0.000 0.269 98 T C 1.774 176.413 174.700 -0.102 0.000 1.042 98 T CA 1.544 63.593 62.100 -0.084 0.000 1.140 98 T CB -0.150 68.698 68.868 -0.035 0.000 0.864 98 T HN 0.389 nan 8.240 nan 0.000 0.455 99 E N 0.957 121.128 120.200 -0.049 0.000 2.031 99 E HA -0.108 4.243 4.350 0.001 0.000 0.193 99 E C 1.750 178.311 176.600 -0.066 0.000 0.994 99 E CA 1.075 57.451 56.400 -0.040 0.000 0.800 99 E CB -0.648 29.052 29.700 0.001 0.000 0.752 99 E HN 0.454 nan 8.360 nan 0.000 0.447 100 F N 1.336 121.157 119.950 -0.215 0.000 2.043 100 F HA -0.265 4.263 4.527 0.001 0.000 0.297 100 F C 2.490 178.106 175.800 -0.306 0.000 1.121 100 F CA 2.484 60.328 58.000 -0.260 0.000 1.199 100 F CB -0.680 38.147 39.000 -0.289 0.000 0.968 100 F HN 0.017 nan 8.300 nan 0.000 0.478 101 R N 1.017 121.214 120.500 -0.504 0.000 2.119 101 R HA -0.250 4.090 4.340 0.001 0.000 0.246 101 R C 2.390 178.466 176.300 -0.373 0.000 1.146 101 R CA 2.312 58.108 56.100 -0.507 0.000 0.962 101 R CB -0.716 29.374 30.300 -0.349 0.000 0.863 101 R HN 0.509 nan 8.270 nan 0.000 0.442 102 K N -0.057 120.185 120.400 -0.264 0.000 2.009 102 K HA -0.161 4.160 4.320 0.001 0.000 0.210 102 K C 1.977 178.446 176.600 -0.217 0.000 1.049 102 K CA 1.964 58.136 56.287 -0.192 0.000 0.929 102 K CB -0.223 32.198 32.500 -0.131 0.000 0.714 102 K HN 0.278 nan 8.250 nan 0.000 0.440 103 L N 0.499 121.578 121.223 -0.240 0.000 2.044 103 L HA -0.132 4.209 4.340 0.001 0.000 0.205 103 L C 2.462 179.178 176.870 -0.256 0.000 1.075 103 L CA 0.739 55.449 54.840 -0.216 0.000 0.747 103 L CB -0.367 41.605 42.059 -0.145 0.000 0.903 103 L HN 0.043 nan 8.230 nan 0.000 0.435 104 V N 0.025 119.685 119.914 -0.424 0.000 2.515 104 V HA -0.231 3.890 4.120 0.001 0.000 0.250 104 V C 2.682 178.730 176.094 -0.078 0.000 1.058 104 V CA 1.832 63.926 62.300 -0.344 0.000 1.064 104 V CB -0.475 30.842 31.823 -0.843 0.000 0.675 104 V HN 0.627 nan 8.190 nan 0.000 0.461 105 S N 0.386 115.976 115.700 -0.183 0.000 2.469 105 S HA -0.213 4.257 4.470 0.001 0.000 0.238 105 S C 1.953 176.566 174.600 0.023 0.000 0.998 105 S CA 1.134 59.311 58.200 -0.038 0.000 0.957 105 S CB -0.537 62.598 63.200 -0.108 0.000 0.764 105 S HN 0.602 nan 8.310 nan 0.000 0.514 106 R N 0.694 121.108 120.500 -0.143 0.000 2.189 106 R HA 0.056 4.397 4.340 0.001 0.000 0.223 106 R C 2.151 178.372 176.300 -0.132 0.000 1.092 106 R CA 0.990 56.896 56.100 -0.324 0.000 0.989 106 R CB -0.480 29.269 30.300 -0.918 0.000 0.876 106 R HN 0.588 nan 8.270 nan 0.000 0.457 107 G N -1.194 107.676 108.800 0.117 0.000 3.189 107 G HA2 0.006 3.967 3.960 0.001 0.000 0.225 107 G HA3 0.006 3.967 3.960 0.001 0.000 0.225 107 G C 0.140 175.074 174.900 0.056 0.000 1.159 107 G CA -0.278 44.926 45.100 0.174 0.000 0.763 107 G HN 0.106 nan 8.290 nan 0.000 0.549 108 F N 2.370 122.415 119.950 0.158 0.000 2.798 108 F HA 0.284 4.812 4.527 0.001 0.000 0.333 108 F C 1.049 176.941 175.800 0.154 0.000 1.324 108 F CA -0.745 57.410 58.000 0.259 0.000 1.183 108 F CB 0.633 39.724 39.000 0.151 0.000 1.132 108 F HN -0.008 nan 8.300 nan 0.000 0.521 109 T N -3.494 111.175 114.554 0.192 0.000 2.897 109 T HA 0.355 4.706 4.350 0.001 0.000 0.278 109 T C -1.806 172.965 174.700 0.120 0.000 0.981 109 T CA -2.069 60.106 62.100 0.125 0.000 0.973 109 T CB 1.736 70.643 68.868 0.065 0.000 1.092 109 T HN -0.134 nan 8.240 nan 0.000 0.543 110 P HA -0.008 nan 4.420 nan 0.000 0.218 110 P C 1.681 179.017 177.300 0.060 0.000 1.148 110 P CA 0.759 63.904 63.100 0.075 0.000 0.822 110 P CB 0.067 31.798 31.700 0.052 0.000 0.784 111 R N -0.253 120.273 120.500 0.043 0.000 2.081 111 R HA -0.204 4.137 4.340 0.001 0.000 0.235 111 R C 2.236 178.551 176.300 0.025 0.000 1.131 111 R CA 1.490 57.607 56.100 0.028 0.000 0.960 111 R CB -0.450 29.861 30.300 0.020 0.000 0.856 111 R HN 0.060 nan 8.270 nan 0.000 0.436 112 Q N -0.305 119.504 119.800 0.016 0.000 2.197 112 Q HA -0.149 4.192 4.340 0.001 0.000 0.207 112 Q C 1.901 177.901 176.000 -0.000 0.000 0.984 112 Q CA 1.720 57.498 55.803 -0.041 0.000 0.869 112 Q CB -0.028 28.584 28.738 -0.210 0.000 0.906 112 Q HN 0.197 nan 8.270 nan 0.000 0.426 113 V N 0.094 120.056 119.914 0.080 0.000 2.302 113 V HA -0.197 3.924 4.120 0.001 0.000 0.243 113 V C 1.853 177.954 176.094 0.012 0.000 1.036 113 V CA 1.892 64.247 62.300 0.092 0.000 1.020 113 V CB -0.496 31.399 31.823 0.120 0.000 0.657 113 V HN 0.398 nan 8.190 nan 0.000 0.453 114 E N 0.142 120.352 120.200 0.015 0.000 2.058 114 E HA -0.261 4.090 4.350 0.001 0.000 0.194 114 E C 2.248 178.831 176.600 -0.028 0.000 0.997 114 E CA 1.793 58.193 56.400 -0.000 0.000 0.801 114 E CB -0.456 29.250 29.700 0.009 0.000 0.746 114 E HN 0.552 nan 8.360 nan 0.000 0.450 115 T N -0.011 114.524 114.554 -0.032 0.000 2.897 115 T HA -0.109 4.242 4.350 0.001 0.000 0.271 115 T C 1.633 176.243 174.700 -0.150 0.000 1.084 115 T CA 1.078 63.153 62.100 -0.042 0.000 1.123 115 T CB 0.055 68.948 68.868 0.042 0.000 0.865 115 T HN 0.082 nan 8.240 nan 0.000 0.496 116 V N -0.412 119.335 119.914 -0.279 0.000 3.604 116 V HA 0.345 4.466 4.120 0.001 0.000 0.277 116 V C 1.936 177.952 176.094 -0.129 0.000 1.399 116 V CA 0.817 62.901 62.300 -0.360 0.000 1.034 116 V CB 0.144 31.461 31.823 -0.843 0.000 0.824 116 V HN 0.517 nan 8.190 nan 0.000 0.439 117 E N 1.059 121.217 120.200 -0.070 0.000 2.070 117 E HA -0.218 4.133 4.350 0.001 0.000 0.197 117 E C -0.441 176.163 176.600 0.006 0.000 1.004 117 E CA 2.112 58.505 56.400 -0.010 0.000 0.805 117 E CB -0.658 29.044 29.700 0.004 0.000 0.744 117 E HN 0.523 nan 8.360 nan 0.000 0.451 118 P HA -0.165 nan 4.420 nan 0.000 0.215 118 P C 1.259 178.575 177.300 0.026 0.000 1.157 118 P CA 2.087 65.190 63.100 0.006 0.000 0.874 118 P CB -0.139 31.554 31.700 -0.011 0.000 0.790 119 T N -0.732 113.834 114.554 0.020 0.000 2.699 119 T HA -0.138 4.213 4.350 0.001 0.000 0.268 119 T C 1.767 176.541 174.700 0.122 0.000 1.036 119 T CA 1.464 63.602 62.100 0.063 0.000 1.147 119 T CB -1.056 67.861 68.868 0.082 0.000 0.862 119 T HN -0.119 nan 8.240 nan 0.000 0.446 120 V N 1.356 121.331 119.914 0.102 0.000 2.233 120 V HA -0.219 3.901 4.120 0.001 0.000 0.247 120 V C 2.547 178.736 176.094 0.158 0.000 1.050 120 V CA 2.153 64.535 62.300 0.137 0.000 1.010 120 V CB -0.636 31.242 31.823 0.092 0.000 0.637 120 V HN 0.355 nan 8.190 nan 0.000 0.444 121 R N 0.408 120.968 120.500 0.100 0.000 2.091 121 R HA -0.242 4.099 4.340 0.001 0.000 0.238 121 R C 2.378 178.729 176.300 0.085 0.000 1.136 121 R CA 2.240 58.387 56.100 0.078 0.000 0.959 121 R CB -0.361 29.968 30.300 0.048 0.000 0.856 121 R HN 0.526 nan 8.270 nan 0.000 0.437 122 K N -0.514 119.944 120.400 0.096 0.000 2.001 122 K HA -0.237 4.084 4.320 0.001 0.000 0.214 122 K C 1.914 178.595 176.600 0.135 0.000 1.050 122 K CA 2.078 58.422 56.287 0.095 0.000 0.934 122 K CB -0.422 32.135 32.500 0.094 0.000 0.718 122 K HN 0.175 nan 8.250 nan 0.000 0.443 123 F N 1.199 121.167 119.950 0.030 0.000 2.095 123 F HA -0.223 4.304 4.527 0.001 0.000 0.298 123 F C 1.907 177.715 175.800 0.013 0.000 1.104 123 F CA 1.362 59.380 58.000 0.030 0.000 1.232 123 F CB -0.475 38.558 39.000 0.054 0.000 0.987 123 F HN -0.139 nan 8.300 nan 0.000 0.475 124 V N -0.322 119.622 119.914 0.050 0.000 2.287 124 V HA -0.342 3.778 4.120 0.001 0.000 0.248 124 V C 2.402 178.415 176.094 -0.134 0.000 1.053 124 V CA 1.882 64.141 62.300 -0.068 0.000 1.027 124 V CB -0.917 30.929 31.823 0.038 0.000 0.646 124 V HN 0.279 nan 8.190 nan 0.000 0.447 125 V N -0.204 119.671 119.914 -0.065 0.000 2.358 125 V HA -0.249 3.871 4.120 0.001 0.000 0.246 125 V C 2.364 178.400 176.094 -0.098 0.000 1.047 125 V CA 2.012 64.275 62.300 -0.062 0.000 1.035 125 V CB -0.759 31.052 31.823 -0.020 0.000 0.658 125 V HN 0.635 nan 8.190 nan 0.000 0.452 126 E N 0.060 120.189 120.200 -0.118 0.000 2.038 126 E HA -0.229 4.121 4.350 0.001 0.000 0.195 126 E C 2.513 178.994 176.600 -0.199 0.000 1.000 126 E CA 1.235 57.557 56.400 -0.129 0.000 0.803 126 E CB -0.232 29.407 29.700 -0.102 0.000 0.750 126 E HN 0.390 nan 8.360 nan 0.000 0.448 127 R N 0.703 120.987 120.500 -0.359 0.000 2.092 127 R HA -0.030 4.311 4.340 0.001 0.000 0.231 127 R C 2.469 178.626 176.300 -0.239 0.000 1.119 127 R CA 0.720 56.603 56.100 -0.361 0.000 0.970 127 R CB -0.989 28.958 30.300 -0.588 0.000 0.864 127 R HN 0.257 nan 8.270 nan 0.000 0.440 128 L N 1.049 122.144 121.223 -0.213 0.000 2.012 128 L HA -0.188 4.153 4.340 0.001 0.000 0.210 128 L C 2.239 179.073 176.870 -0.060 0.000 1.073 128 L CA 1.402 56.162 54.840 -0.134 0.000 0.748 128 L CB -0.367 41.630 42.059 -0.104 0.000 0.891 128 L HN 0.129 nan 8.230 nan 0.000 0.431 129 E N -0.089 120.074 120.200 -0.062 0.000 2.150 129 E HA -0.228 4.123 4.350 0.001 0.000 0.193 129 E C 2.009 178.588 176.600 -0.035 0.000 0.985 129 E CA 0.885 57.265 56.400 -0.034 0.000 0.814 129 E CB -0.111 29.569 29.700 -0.033 0.000 0.752 129 E HN 0.392 nan 8.360 nan 0.000 0.466 130 K N 0.555 120.919 120.400 -0.061 0.000 2.148 130 K HA -0.025 4.296 4.320 0.001 0.000 0.204 130 K C 2.140 178.720 176.600 -0.034 0.000 1.050 130 K CA 0.500 56.755 56.287 -0.053 0.000 0.942 130 K CB 0.053 32.506 32.500 -0.078 0.000 0.724 130 K HN 0.071 nan 8.250 nan 0.000 0.446 131 L N 0.080 121.288 121.223 -0.024 0.000 2.179 131 L HA -0.062 4.278 4.340 0.001 0.000 0.208 131 L C 2.351 179.245 176.870 0.040 0.000 1.096 131 L CA 0.798 55.656 54.840 0.031 0.000 0.779 131 L CB -0.183 41.940 42.059 0.107 0.000 0.922 131 L HN 0.131 nan 8.230 nan 0.000 0.443 132 R N -0.102 120.418 120.500 0.032 0.000 2.148 132 R HA -0.111 4.230 4.340 0.001 0.000 0.227 132 R C 2.374 178.673 176.300 -0.001 0.000 1.103 132 R CA 1.076 57.188 56.100 0.020 0.000 0.983 132 R CB -0.368 29.944 30.300 0.020 0.000 0.874 132 R HN 0.329 nan 8.270 nan 0.000 0.451 133 A N 2.004 124.820 122.820 -0.006 0.000 1.841 133 A HA -0.195 4.126 4.320 0.001 0.000 0.216 133 A C 1.531 179.106 177.584 -0.014 0.000 1.199 133 A CA 1.738 53.768 52.037 -0.012 0.000 0.621 133 A CB -0.533 18.458 19.000 -0.015 0.000 0.835 133 A HN 0.281 nan 8.150 nan 0.000 0.445 134 N N -0.246 118.445 118.700 -0.014 0.000 2.515 134 N HA 0.257 4.997 4.740 0.001 0.000 0.191 134 N C 0.981 176.474 175.510 -0.027 0.000 1.182 134 N CA 0.965 54.004 53.050 -0.018 0.000 0.879 134 N CB -0.089 38.389 38.487 -0.015 0.000 0.984 134 N HN 0.691 nan 8.380 nan 0.000 0.453 135 G N -0.596 108.186 108.800 -0.030 0.000 2.321 135 G HA2 -0.068 3.893 3.960 0.001 0.000 0.287 135 G HA3 -0.068 3.893 3.960 0.001 0.000 0.287 135 G C 0.451 175.290 174.900 -0.102 0.000 1.018 135 G CA 0.615 45.680 45.100 -0.058 0.000 0.855 135 G HN 0.788 nan 8.290 nan 0.000 0.507 136 G N -3.042 105.714 108.800 -0.072 0.000 2.356 136 G HA2 0.716 4.677 3.960 0.001 0.000 0.300 136 G HA3 0.716 4.677 3.960 0.001 0.000 0.300 136 G C 0.197 175.113 174.900 0.026 0.000 1.331 136 G CA 0.977 46.025 45.100 -0.087 0.000 0.905 136 G HN 2.432 nan 8.290 nan 0.000 0.587 137 G N -1.132 107.708 108.800 0.068 0.000 2.352 137 G HA2 0.461 4.422 3.960 0.001 0.000 0.283 137 G HA3 0.461 4.422 3.960 0.001 0.000 0.283 137 G C -1.985 172.957 174.900 0.071 0.000 1.308 137 G CA 0.272 45.403 45.100 0.052 0.000 0.892 137 G HN 0.971 nan 8.290 nan 0.000 0.504 138 D N 0.409 120.809 120.400 -0.000 0.000 2.428 138 D HA 0.303 4.944 4.640 0.001 0.000 0.221 138 D C 1.448 177.665 176.300 -0.137 0.000 1.123 138 D CA -0.506 53.470 54.000 -0.040 0.000 0.869 138 D CB 1.194 41.963 40.800 -0.052 0.000 1.032 138 D HN 0.366 nan 8.370 nan 0.000 0.506 139 I N 3.483 123.918 120.570 -0.225 0.000 2.567 139 I HA -0.234 3.937 4.170 0.001 0.000 0.257 139 I C 1.562 177.293 176.117 -0.644 0.000 1.184 139 I CA 0.822 61.759 61.300 -0.604 0.000 1.451 139 I CB 0.492 37.887 38.000 -1.008 0.000 1.089 139 I HN 0.229 nan 8.210 nan 0.000 0.441 140 V N 0.137 119.875 119.914 -0.293 0.000 2.302 140 V HA -0.223 3.898 4.120 0.001 0.000 0.243 140 V C 2.373 178.415 176.094 -0.086 0.000 1.036 140 V CA 2.348 64.584 62.300 -0.107 0.000 1.020 140 V CB -0.698 31.107 31.823 -0.030 0.000 0.657 140 V HN 0.432 nan 8.190 nan 0.000 0.453 141 T N -0.429 114.072 114.554 -0.088 0.000 2.788 141 T HA -0.152 4.198 4.350 0.001 0.000 0.268 141 T C 1.790 176.454 174.700 -0.061 0.000 1.044 141 T CA 1.268 63.336 62.100 -0.054 0.000 1.139 141 T CB -0.182 68.657 68.868 -0.047 0.000 0.867 141 T HN 0.370 nan 8.240 nan 0.000 0.454 142 E N -0.128 119.997 120.200 -0.125 0.000 2.299 142 E HA 0.143 4.493 4.350 0.001 0.000 0.193 142 E C 1.631 178.120 176.600 -0.187 0.000 0.998 142 E CA 0.525 56.839 56.400 -0.143 0.000 0.851 142 E CB 0.174 29.769 29.700 -0.174 0.000 0.795 142 E HN 0.335 nan 8.360 nan 0.000 0.492 143 L N -2.043 119.033 121.223 -0.245 0.000 2.437 143 L HA 0.138 4.479 4.340 0.001 0.000 0.188 143 L C 1.126 178.046 176.870 0.083 0.000 1.123 143 L CA 0.441 55.163 54.840 -0.197 0.000 0.981 143 L CB -0.562 41.204 42.059 -0.487 0.000 1.935 143 L HN -0.191 nan 8.230 nan 0.000 0.494 144 F N 1.069 120.995 119.950 -0.040 0.000 2.583 144 F HA -0.001 4.527 4.527 0.001 0.000 0.297 144 F C 2.235 178.035 175.800 0.001 0.000 1.131 144 F CA 1.075 59.061 58.000 -0.024 0.000 1.467 144 F CB -0.908 38.046 39.000 -0.076 0.000 1.097 144 F HN 0.220 nan 8.300 nan 0.000 0.586 145 K N 1.231 121.732 120.400 0.169 0.000 2.172 145 K HA 0.099 4.420 4.320 0.001 0.000 0.203 145 K C -0.776 175.875 176.600 0.084 0.000 1.040 145 K CA 0.466 56.812 56.287 0.099 0.000 0.974 145 K CB -1.333 31.200 32.500 0.054 0.000 0.857 145 K HN 0.022 nan 8.250 nan 0.000 0.464 146 P HA -0.113 nan 4.420 nan 0.000 0.222 146 P C 1.461 178.752 177.300 -0.015 0.000 1.153 146 P CA 0.757 63.891 63.100 0.056 0.000 0.798 146 P CB 0.098 31.890 31.700 0.153 0.000 0.796 147 L N 1.624 122.960 121.223 0.187 0.000 1.997 147 L HA -0.093 4.248 4.340 0.001 0.000 0.216 147 L C -0.766 176.112 176.870 0.013 0.000 1.074 147 L CA 2.891 57.826 54.840 0.159 0.000 0.763 147 L CB -2.396 39.872 42.059 0.349 0.000 0.890 147 L HN -0.004 nan 8.230 nan 0.000 0.434 148 P HA -0.143 nan 4.420 nan 0.000 0.218 148 P C 2.037 179.314 177.300 -0.038 0.000 1.149 148 P CA 1.663 64.767 63.100 0.007 0.000 0.817 148 P CB -0.105 31.605 31.700 0.018 0.000 0.785 149 S N -1.047 114.604 115.700 -0.081 0.000 2.387 149 S HA -0.220 4.251 4.470 0.001 0.000 0.230 149 S C 1.775 176.245 174.600 -0.216 0.000 1.035 149 S CA 1.523 59.650 58.200 -0.122 0.000 1.014 149 S CB -0.836 62.268 63.200 -0.160 0.000 0.836 149 S HN 0.021 nan 8.310 nan 0.000 0.466 150 M N 0.200 119.610 119.600 -0.317 0.000 2.156 150 M HA -0.031 4.449 4.480 0.001 0.000 0.264 150 M C 2.115 178.226 176.300 -0.315 0.000 1.067 150 M CA 1.168 56.120 55.300 -0.578 0.000 1.131 150 M CB -0.621 31.763 32.600 -0.359 0.000 1.368 150 M HN 0.177 nan 8.290 nan 0.000 0.416 151 V N 0.089 119.965 119.914 -0.062 0.000 2.358 151 V HA -0.175 3.946 4.120 0.001 0.000 0.246 151 V C 2.456 178.683 176.094 0.221 0.000 1.047 151 V CA 1.439 63.818 62.300 0.132 0.000 1.035 151 V CB -0.674 31.232 31.823 0.138 0.000 0.658 151 V HN 0.271 nan 8.190 nan 0.000 0.452 152 V N 0.479 120.452 119.914 0.099 0.000 2.295 152 V HA -0.255 3.866 4.120 0.001 0.000 0.246 152 V C 2.759 178.919 176.094 0.110 0.000 1.049 152 V CA 2.047 64.422 62.300 0.127 0.000 1.024 152 V CB -1.199 30.680 31.823 0.094 0.000 0.648 152 V HN 0.551 nan 8.190 nan 0.000 0.447 153 A N -0.903 121.909 122.820 -0.012 0.000 1.908 153 A HA -0.308 4.013 4.320 0.001 0.000 0.218 153 A C 2.248 179.735 177.584 -0.163 0.000 1.181 153 A CA 2.116 53.997 52.037 -0.261 0.000 0.627 153 A CB -0.922 17.675 19.000 -0.672 0.000 0.818 153 A HN 0.724 nan 8.150 nan 0.000 0.445 154 H N -1.947 117.046 119.070 -0.129 0.000 2.290 154 H HA -0.199 4.358 4.556 0.001 0.000 0.298 154 H C 1.930 177.200 175.328 -0.097 0.000 1.087 154 H CA 2.415 58.465 56.048 0.003 0.000 1.291 154 H CB -0.243 29.545 29.762 0.043 0.000 1.369 154 H HN 0.569 nan 8.280 nan 0.000 0.492 155 Y N 0.606 120.855 120.300 -0.084 0.000 2.333 155 Y HA -0.108 4.443 4.550 0.001 0.000 0.290 155 Y C 2.776 178.593 175.900 -0.138 0.000 1.144 155 Y CA 0.683 58.653 58.100 -0.216 0.000 1.228 155 Y CB -0.085 38.217 38.460 -0.263 0.000 0.985 155 Y HN 0.161 nan 8.280 nan 0.000 0.542 156 L N -1.137 120.124 121.223 0.063 0.000 2.552 156 L HA 0.096 4.437 4.340 0.001 0.000 0.227 156 L C 1.335 178.246 176.870 0.068 0.000 1.146 156 L CA 0.718 55.610 54.840 0.088 0.000 0.858 156 L CB -0.532 41.592 42.059 0.108 0.000 0.969 156 L HN 0.393 nan 8.230 nan 0.000 0.451 157 G N 0.764 109.538 108.800 -0.044 0.000 2.291 157 G HA2 -0.213 3.748 3.960 0.001 0.000 0.271 157 G HA3 -0.213 3.748 3.960 0.001 0.000 0.271 157 G C -0.194 174.716 174.900 0.017 0.000 1.099 157 G CA -0.073 44.999 45.100 -0.046 0.000 0.919 157 G HN 0.076 nan 8.290 nan 0.000 0.496 158 V N 1.009 120.913 119.914 -0.016 0.000 2.364 158 V HA 0.382 4.503 4.120 0.001 0.000 0.272 158 V C -1.381 174.832 176.094 0.198 0.000 1.036 158 V CA -1.707 60.582 62.300 -0.017 0.000 0.880 158 V CB 1.524 33.066 31.823 -0.469 0.000 0.991 158 V HN 0.216 nan 8.190 nan 0.000 0.460 159 P HA 0.092 nan 4.420 nan 0.000 0.265 159 P C 0.912 178.312 177.300 0.167 0.000 1.193 159 P CA 0.078 63.257 63.100 0.132 0.000 0.765 159 P CB 0.647 32.395 31.700 0.080 0.000 0.823 160 E N 2.533 122.659 120.200 -0.124 0.000 2.136 160 E HA -0.313 4.037 4.350 0.001 0.000 0.202 160 E C 1.737 178.262 176.600 -0.125 0.000 1.019 160 E CA 1.536 57.652 56.400 -0.473 0.000 0.819 160 E CB -0.142 29.223 29.700 -0.559 0.000 0.739 160 E HN 0.654 nan 8.360 nan 0.000 0.458 161 E N 1.285 121.455 120.200 -0.050 0.000 2.130 161 E HA -0.256 4.095 4.350 0.001 0.000 0.196 161 E C 1.152 177.772 176.600 0.034 0.000 0.998 161 E CA 1.471 57.865 56.400 -0.010 0.000 0.806 161 E CB -0.257 29.443 29.700 -0.001 0.000 0.738 161 E HN 0.328 nan 8.360 nan 0.000 0.459 162 D N -0.231 120.219 120.400 0.082 0.000 2.323 162 D HA -0.069 4.572 4.640 0.001 0.000 0.209 162 D C 1.456 177.782 176.300 0.044 0.000 0.973 162 D CA 0.235 54.246 54.000 0.018 0.000 0.874 162 D CB -0.411 40.390 40.800 0.000 0.000 0.930 162 D HN 0.241 nan 8.370 nan 0.000 0.521 163 W N 2.275 123.502 121.300 -0.122 0.000 2.290 163 W HA -0.244 4.417 4.660 0.001 0.000 0.311 163 W C 2.428 178.881 176.519 -0.111 0.000 1.238 163 W CA 1.681 58.976 57.345 -0.084 0.000 1.255 163 W CB -1.242 28.177 29.460 -0.068 0.000 1.145 163 W HN -0.012 nan 8.180 nan 0.000 0.506 164 T N -0.731 113.877 114.554 0.089 0.000 2.622 164 T HA -0.338 4.012 4.350 0.001 0.000 0.266 164 T C 1.678 176.251 174.700 -0.212 0.000 1.047 164 T CA 1.795 63.868 62.100 -0.045 0.000 1.159 164 T CB -0.853 67.985 68.868 -0.051 0.000 0.863 164 T HN 0.276 nan 8.240 nan 0.000 0.422 165 Q N -0.211 119.399 119.800 -0.317 0.000 2.030 165 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 165 Q C 2.126 177.494 176.000 -1.054 0.000 0.986 165 Q CA 1.603 57.004 55.803 -0.669 0.000 0.843 165 Q CB -0.347 28.003 28.738 -0.648 0.000 0.904 165 Q HN 0.482 nan 8.270 nan 0.000 0.420 166 F N 1.652 121.054 119.950 -0.913 0.000 2.065 166 F HA -0.245 4.283 4.527 0.001 0.000 0.298 166 F C 1.823 177.379 175.800 -0.406 0.000 1.112 166 F CA 2.280 59.874 58.000 -0.677 0.000 1.212 166 F CB -0.602 38.117 39.000 -0.468 0.000 0.975 166 F HN 0.257 nan 8.300 nan 0.000 0.476 167 D N -0.474 119.735 120.400 -0.318 0.000 2.221 167 D HA -0.124 4.517 4.640 0.001 0.000 0.204 167 D C 2.428 178.542 176.300 -0.310 0.000 0.982 167 D CA 1.452 55.267 54.000 -0.308 0.000 0.857 167 D CB -0.671 40.011 40.800 -0.197 0.000 0.934 167 D HN 0.381 nan 8.370 nan 0.000 0.475 168 G N 0.192 108.762 108.800 -0.383 0.000 2.511 168 G HA2 -0.279 3.682 3.960 0.001 0.000 0.216 168 G HA3 -0.279 3.682 3.960 0.001 0.000 0.216 168 G C 1.276 176.063 174.900 -0.188 0.000 1.218 168 G CA 0.881 45.793 45.100 -0.313 0.000 0.788 168 G HN 0.281 nan 8.290 nan 0.000 0.560 169 W N 1.274 122.437 121.300 -0.227 0.000 2.318 169 W HA -0.088 4.572 4.660 0.001 0.000 0.313 169 W C 2.830 179.190 176.519 -0.265 0.000 1.221 169 W CA 1.602 58.811 57.345 -0.227 0.000 1.266 169 W CB -1.647 27.646 29.460 -0.277 0.000 1.150 169 W HN 0.167 nan 8.180 nan 0.000 0.496 170 T N 1.025 115.459 114.554 -0.199 0.000 2.597 170 T HA -0.257 4.094 4.350 0.001 0.000 0.267 170 T C 1.791 176.429 174.700 -0.104 0.000 1.053 170 T CA 2.239 64.192 62.100 -0.244 0.000 1.165 170 T CB -0.495 68.151 68.868 -0.370 0.000 0.863 170 T HN 0.033 nan 8.240 nan 0.000 0.427 171 Q N 0.635 120.376 119.800 -0.098 0.000 2.234 171 Q HA 0.040 4.380 4.340 0.001 0.000 0.206 171 Q C 2.559 178.555 176.000 -0.006 0.000 0.980 171 Q CA 1.403 57.178 55.803 -0.046 0.000 0.869 171 Q CB -0.768 27.939 28.738 -0.051 0.000 0.912 171 Q HN 0.620 nan 8.270 nan 0.000 0.436 172 A N 0.483 123.311 122.820 0.013 0.000 1.929 172 A HA -0.087 4.234 4.320 0.001 0.000 0.216 172 A C 2.126 179.740 177.584 0.051 0.000 1.176 172 A CA 0.921 52.984 52.037 0.044 0.000 0.628 172 A CB -0.416 18.633 19.000 0.082 0.000 0.816 172 A HN 0.314 nan 8.150 nan 0.000 0.444 173 I N -0.465 120.137 120.570 0.054 0.000 2.277 173 I HA -0.131 4.040 4.170 0.001 0.000 0.243 173 I C 2.181 178.335 176.117 0.062 0.000 1.094 173 I CA 0.800 62.143 61.300 0.071 0.000 1.393 173 I CB -0.510 37.548 38.000 0.096 0.000 1.078 173 I HN 0.088 nan 8.210 nan 0.000 0.417 174 V N 1.664 121.601 119.914 0.038 0.000 2.546 174 V HA -0.294 3.827 4.120 0.001 0.000 0.254 174 V C 2.697 178.819 176.094 0.047 0.000 1.076 174 V CA 1.922 64.245 62.300 0.038 0.000 1.087 174 V CB -1.165 30.667 31.823 0.015 0.000 0.674 174 V HN 0.513 nan 8.190 nan 0.000 0.470 175 A N -0.110 122.735 122.820 0.042 0.000 2.119 175 A HA 0.075 4.395 4.320 0.001 0.000 0.217 175 A C 2.457 180.076 177.584 0.058 0.000 1.153 175 A CA 1.426 53.489 52.037 0.044 0.000 0.692 175 A CB -0.594 18.426 19.000 0.034 0.000 0.799 175 A HN 0.596 nan 8.150 nan 0.000 0.458 176 A N 0.941 123.802 122.820 0.068 0.000 1.957 176 A HA -0.258 4.062 4.320 0.001 0.000 0.224 176 A C 1.172 178.816 177.584 0.100 0.000 1.287 176 A CA 2.000 54.086 52.037 0.083 0.000 0.682 176 A CB -0.666 18.393 19.000 0.098 0.000 0.833 176 A HN 0.861 nan 8.150 nan 0.000 0.482 182 A N 0.159 122.990 122.820 0.018 0.000 2.067 182 A HA 0.207 4.528 4.320 0.001 0.000 0.217 182 A C 2.269 179.868 177.584 0.026 0.000 1.156 182 A CA 2.101 54.151 52.037 0.022 0.000 0.683 182 A CB -0.339 18.675 19.000 0.024 0.000 0.808 182 A HN 0.946 nan 8.150 nan 0.000 0.455 183 T N -1.961 112.607 114.554 0.025 0.000 3.317 183 T HA 0.013 4.364 4.350 0.001 0.000 0.250 183 T C 1.357 176.070 174.700 0.023 0.000 1.106 183 T CA 1.115 63.232 62.100 0.028 0.000 0.986 183 T CB -0.784 68.099 68.868 0.025 0.000 1.010 183 T HN 0.520 nan 8.240 nan 0.000 0.560 184 T N -1.660 112.906 114.554 0.021 0.000 2.978 184 T HA 0.156 4.507 4.350 0.001 0.000 0.262 184 T C 2.274 176.991 174.700 0.028 0.000 1.063 184 T CA 0.729 62.840 62.100 0.019 0.000 1.140 184 T CB -0.829 68.049 68.868 0.016 0.000 0.886 184 T HN 0.399 nan 8.240 nan 0.000 0.470 185 G N 0.784 109.605 108.800 0.035 0.000 2.559 185 G HA2 0.227 4.188 3.960 0.001 0.000 0.216 185 G HA3 0.227 4.188 3.960 0.001 0.000 0.216 185 G C 1.607 176.541 174.900 0.057 0.000 1.126 185 G CA 0.600 45.729 45.100 0.048 0.000 0.778 185 G HN 0.702 nan 8.290 nan 0.000 0.543 186 A N 0.815 123.665 122.820 0.049 0.000 1.843 186 A HA 0.211 4.531 4.320 0.001 0.000 0.213 186 A C 2.318 179.930 177.584 0.047 0.000 1.202 186 A CA 0.804 52.874 52.037 0.056 0.000 0.607 186 A CB -0.498 18.533 19.000 0.051 0.000 0.847 186 A HN 0.269 nan 8.150 nan 0.000 0.445 187 L N 0.106 121.346 121.223 0.028 0.000 2.081 187 L HA -0.254 4.086 4.340 0.001 0.000 0.212 187 L C 2.486 179.362 176.870 0.011 0.000 1.080 187 L CA 1.881 56.728 54.840 0.011 0.000 0.754 187 L CB -0.616 41.443 42.059 0.000 0.000 0.893 187 L HN 0.586 nan 8.230 nan 0.000 0.433 188 D N 0.195 120.608 120.400 0.022 0.000 2.084 188 D HA -0.177 4.464 4.640 0.001 0.000 0.196 188 D C 2.121 178.420 176.300 -0.001 0.000 0.985 188 D CA 1.468 55.480 54.000 0.020 0.000 0.826 188 D CB 0.302 41.129 40.800 0.044 0.000 0.978 188 D HN 0.268 nan 8.370 nan 0.000 0.456 189 A N 0.800 123.641 122.820 0.035 0.000 1.883 189 A HA -0.154 4.167 4.320 0.001 0.000 0.217 189 A C 2.705 180.232 177.584 -0.096 0.000 1.186 189 A CA 1.968 54.009 52.037 0.008 0.000 0.624 189 A CB -0.993 18.083 19.000 0.127 0.000 0.822 189 A HN 0.242 nan 8.150 nan 0.000 0.444 190 V N -0.021 119.925 119.914 0.054 0.000 2.282 190 V HA -0.247 3.873 4.120 0.001 0.000 0.249 190 V C 2.832 178.985 176.094 0.099 0.000 1.057 190 V CA 2.158 64.574 62.300 0.194 0.000 1.032 190 V CB -1.629 30.250 31.823 0.093 0.000 0.645 190 V HN 0.634 nan 8.190 nan 0.000 0.447 191 G N -0.414 108.375 108.800 -0.018 0.000 2.446 191 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 191 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 191 G C 1.811 176.632 174.900 -0.132 0.000 1.168 191 G CA 1.250 46.324 45.100 -0.043 0.000 0.771 191 G HN 0.540 nan 8.290 nan 0.000 0.551 192 S N 0.419 115.935 115.700 -0.307 0.000 2.353 192 S HA -0.204 4.267 4.470 0.001 0.000 0.222 192 S C 2.247 176.276 174.600 -0.953 0.000 1.035 192 S CA 1.793 59.608 58.200 -0.642 0.000 1.025 192 S CB -0.384 62.238 63.200 -0.963 0.000 0.902 192 S HN 0.373 nan 8.310 nan 0.000 0.440 193 M N 1.110 120.130 119.600 -0.966 0.000 2.082 193 M HA -0.149 4.331 4.480 0.001 0.000 0.258 193 M C 2.142 178.454 176.300 0.019 0.000 1.069 193 M CA 1.604 56.585 55.300 -0.532 0.000 1.102 193 M CB -0.449 32.029 32.600 -0.202 0.000 1.336 193 M HN 0.284 nan 8.290 nan 0.000 0.404 194 M N 0.027 119.759 119.600 0.220 0.000 2.163 194 M HA -0.217 4.263 4.480 0.001 0.000 0.258 194 M C 2.088 178.503 176.300 0.190 0.000 1.071 194 M CA 2.622 58.120 55.300 0.331 0.000 1.093 194 M CB -0.772 31.942 32.600 0.190 0.000 1.285 194 M HN 0.408 nan 8.290 nan 0.000 0.420 195 A N -1.551 121.301 122.820 0.054 0.000 1.933 195 A HA -0.203 4.118 4.320 0.001 0.000 0.218 195 A C 2.093 179.694 177.584 0.028 0.000 1.175 195 A CA 1.768 53.826 52.037 0.035 0.000 0.628 195 A CB -1.377 17.625 19.000 0.004 0.000 0.814 195 A HN 0.745 nan 8.150 nan 0.000 0.444 196 Y N -0.357 119.865 120.300 -0.129 0.000 2.053 196 Y HA -0.271 4.280 4.550 0.001 0.000 0.277 196 Y C 1.939 177.781 175.900 -0.097 0.000 1.159 196 Y CA 2.126 60.145 58.100 -0.134 0.000 1.125 196 Y CB -0.663 37.641 38.460 -0.261 0.000 0.969 196 Y HN 0.272 nan 8.280 nan 0.000 0.492 197 F N 0.531 120.474 119.950 -0.011 0.000 2.171 197 F HA -0.204 4.324 4.527 0.001 0.000 0.300 197 F C 2.768 178.523 175.800 -0.076 0.000 1.090 197 F CA 2.012 59.977 58.000 -0.057 0.000 1.293 197 F CB -1.361 37.712 39.000 0.121 0.000 1.013 197 F HN 0.221 nan 8.300 nan 0.000 0.486 198 T N -2.693 111.951 114.554 0.151 0.000 2.803 198 T HA -0.101 4.249 4.350 0.001 0.000 0.269 198 T C 2.337 177.040 174.700 0.004 0.000 1.052 198 T CA 1.203 63.353 62.100 0.084 0.000 1.136 198 T CB -1.193 67.718 68.868 0.072 0.000 0.864 198 T HN 0.300 nan 8.240 nan 0.000 0.467 199 G N 1.568 110.321 108.800 -0.079 0.000 2.424 199 G HA2 -0.015 3.946 3.960 0.001 0.000 0.214 199 G HA3 -0.015 3.946 3.960 0.001 0.000 0.214 199 G C 1.391 176.191 174.900 -0.167 0.000 1.202 199 G CA 0.681 45.702 45.100 -0.132 0.000 0.793 199 G HN 0.436 nan 8.290 nan 0.000 0.534 200 L N 1.092 122.127 121.223 -0.314 0.000 2.043 200 L HA -0.074 4.267 4.340 0.001 0.000 0.212 200 L C 2.701 179.546 176.870 -0.043 0.000 1.075 200 L CA 1.409 56.117 54.840 -0.221 0.000 0.752 200 L CB -0.456 41.452 42.059 -0.253 0.000 0.891 200 L HN 0.305 nan 8.230 nan 0.000 0.432 201 I N -0.707 119.875 120.570 0.019 0.000 2.163 201 I HA -0.316 3.855 4.170 0.001 0.000 0.243 201 I C 2.498 178.621 176.117 0.011 0.000 1.085 201 I CA 1.606 62.932 61.300 0.043 0.000 1.347 201 I CB -0.399 37.642 38.000 0.069 0.000 1.044 201 I HN 0.357 nan 8.210 nan 0.000 0.408 202 E N 1.568 121.765 120.200 -0.004 0.000 2.049 202 E HA -0.298 4.053 4.350 0.001 0.000 0.198 202 E C 2.264 178.854 176.600 -0.016 0.000 1.007 202 E CA 1.737 58.132 56.400 -0.009 0.000 0.809 202 E CB -0.277 29.415 29.700 -0.014 0.000 0.749 202 E HN 0.226 nan 8.360 nan 0.000 0.450 203 R N -0.369 120.113 120.500 -0.031 0.000 2.091 203 R HA -0.137 4.204 4.340 0.001 0.000 0.238 203 R C 2.051 178.337 176.300 -0.024 0.000 1.136 203 R CA 1.502 57.584 56.100 -0.030 0.000 0.959 203 R CB -0.068 30.206 30.300 -0.045 0.000 0.856 203 R HN 0.064 nan 8.270 nan 0.000 0.437 204 R N 0.510 120.998 120.500 -0.020 0.000 2.189 204 R HA -0.046 4.295 4.340 0.001 0.000 0.223 204 R C 2.078 178.366 176.300 -0.020 0.000 1.092 204 R CA 0.927 57.014 56.100 -0.021 0.000 0.989 204 R CB -0.464 29.828 30.300 -0.013 0.000 0.876 204 R HN 0.338 nan 8.270 nan 0.000 0.457 205 R N -0.069 120.424 120.500 -0.012 0.000 2.159 205 R HA -0.101 4.240 4.340 0.001 0.000 0.237 205 R C 1.404 177.697 176.300 -0.012 0.000 1.131 205 R CA 1.941 58.036 56.100 -0.008 0.000 0.982 205 R CB -0.042 30.256 30.300 -0.003 0.000 0.868 205 R HN 0.375 nan 8.270 nan 0.000 0.453 206 T N -4.834 109.711 114.554 -0.016 0.000 3.080 206 T HA 0.111 4.462 4.350 0.001 0.000 0.280 206 T C 0.400 175.087 174.700 -0.021 0.000 0.926 206 T CA -0.482 61.609 62.100 -0.016 0.000 0.883 206 T CB 0.603 69.464 68.868 -0.012 0.000 1.194 206 T HN 0.109 nan 8.240 nan 0.000 0.541 207 E N 2.847 123.031 120.200 -0.026 0.000 3.898 207 E HA 0.299 4.650 4.350 0.001 0.000 0.219 207 E C -2.807 173.768 176.600 -0.042 0.000 1.207 207 E CA -2.062 54.320 56.400 -0.030 0.000 1.240 207 E CB 1.327 31.012 29.700 -0.025 0.000 1.239 207 E HN 0.298 nan 8.360 nan 0.000 0.422 208 P HA 0.258 nan 4.420 nan 0.000 0.278 208 P C -0.598 176.641 177.300 -0.100 0.000 1.238 208 P CA -0.063 62.987 63.100 -0.084 0.000 0.794 208 P CB 2.074 33.716 31.700 -0.096 0.000 0.955 209 A N 2.468 125.208 122.820 -0.133 0.000 3.981 209 A HA 0.563 4.884 4.320 0.001 0.000 0.153 209 A C -0.197 177.258 177.584 -0.216 0.000 1.090 209 A CA -0.066 51.891 52.037 -0.133 0.000 0.990 209 A CB -0.134 18.799 19.000 -0.111 0.000 1.553 209 A HN 0.522 nan 8.150 nan 0.000 0.696 210 D N -0.204 120.088 120.400 -0.180 0.000 2.650 210 D HA 0.155 4.796 4.640 0.001 0.000 0.265 210 D C -0.914 175.352 176.300 -0.058 0.000 1.339 210 D CA -0.273 53.635 54.000 -0.154 0.000 0.816 210 D CB -0.106 40.708 40.800 0.023 0.000 1.091 210 D HN 0.436 nan 8.370 nan 0.000 0.483 211 D N 0.106 120.432 120.400 -0.123 0.000 2.283 211 D HA 0.319 4.959 4.640 0.001 0.000 0.248 211 D C 1.321 177.660 176.300 0.065 0.000 1.072 211 D CA -0.577 53.373 54.000 -0.083 0.000 0.929 211 D CB 1.842 42.571 40.800 -0.119 0.000 1.182 211 D HN 0.003 nan 8.370 nan 0.000 0.433 212 A N 2.501 125.408 122.820 0.146 0.000 1.909 212 A HA -0.265 4.056 4.320 0.001 0.000 0.221 212 A C 2.261 179.960 177.584 0.192 0.000 1.223 212 A CA 1.707 53.903 52.037 0.265 0.000 0.658 212 A CB -0.966 18.315 19.000 0.468 0.000 0.831 212 A HN 0.734 nan 8.150 nan 0.000 0.462 213 I N -0.476 120.200 120.570 0.177 0.000 2.208 213 I HA -0.249 3.922 4.170 0.001 0.000 0.245 213 I C 2.705 178.856 176.117 0.057 0.000 1.097 213 I CA 1.545 62.924 61.300 0.132 0.000 1.363 213 I CB -0.322 37.761 38.000 0.139 0.000 1.051 213 I HN 0.280 nan 8.210 nan 0.000 0.413 214 S N -0.526 115.168 115.700 -0.011 0.000 2.370 214 S HA -0.205 4.266 4.470 0.001 0.000 0.226 214 S C 1.926 176.449 174.600 -0.129 0.000 1.033 214 S CA 1.085 59.224 58.200 -0.102 0.000 1.011 214 S CB -0.437 62.639 63.200 -0.207 0.000 0.852 214 S HN 0.455 nan 8.310 nan 0.000 0.457 215 H N 0.826 119.896 119.070 -0.001 0.000 2.457 215 H HA 0.091 4.648 4.556 0.001 0.000 0.294 215 H C 1.998 177.314 175.328 -0.020 0.000 1.064 215 H CA 0.872 56.910 56.048 -0.015 0.000 1.330 215 H CB -0.222 29.525 29.762 -0.025 0.000 1.395 215 H HN 0.342 nan 8.280 nan 0.000 0.541 216 L N -0.473 120.802 121.223 0.085 0.000 2.095 216 L HA -0.087 4.254 4.340 0.001 0.000 0.204 216 L C 2.610 179.505 176.870 0.042 0.000 1.080 216 L CA 0.413 55.283 54.840 0.050 0.000 0.759 216 L CB -0.271 41.814 42.059 0.044 0.000 0.914 216 L HN 0.025 nan 8.230 nan 0.000 0.439 217 V N 0.420 120.354 119.914 0.034 0.000 2.261 217 V HA -0.264 3.856 4.120 0.001 0.000 0.246 217 V C 2.778 178.880 176.094 0.013 0.000 1.047 217 V CA 1.852 64.165 62.300 0.023 0.000 1.015 217 V CB -0.879 30.953 31.823 0.015 0.000 0.642 217 V HN 0.462 nan 8.190 nan 0.000 0.446 218 A N -0.113 122.708 122.820 0.001 0.000 2.024 218 A HA -0.086 4.235 4.320 0.001 0.000 0.220 218 A C 2.241 179.837 177.584 0.021 0.000 1.164 218 A CA 1.932 53.968 52.037 -0.000 0.000 0.643 218 A CB -0.576 18.410 19.000 -0.023 0.000 0.806 218 A HN 0.606 nan 8.150 nan 0.000 0.451 219 A N -2.322 120.518 122.820 0.034 0.000 2.208 219 A HA 0.409 4.730 4.320 0.001 0.000 0.209 219 A C 1.845 179.443 177.584 0.023 0.000 1.161 219 A CA 1.300 53.356 52.037 0.031 0.000 0.782 219 A CB -0.608 18.412 19.000 0.034 0.000 0.816 219 A HN 1.794 nan 8.150 nan 0.000 0.477 220 G N -1.874 106.939 108.800 0.022 0.000 2.218 220 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 220 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 220 G C 0.254 175.169 174.900 0.024 0.000 0.994 220 G CA -0.086 45.026 45.100 0.020 0.000 0.637 220 G HN 0.757 nan 8.290 nan 0.000 0.505 221 V N 1.471 121.403 119.914 0.030 0.000 2.720 221 V HA 0.358 4.479 4.120 0.001 0.000 0.307 221 V C 2.007 178.122 176.094 0.036 0.000 1.071 221 V CA 1.809 64.130 62.300 0.036 0.000 1.199 221 V CB 0.603 32.455 31.823 0.048 0.000 0.900 221 V HN 2.053 nan 8.190 nan 0.000 0.494 222 G N 3.133 111.954 108.800 0.034 0.000 2.203 222 G HA2 -0.165 3.796 3.960 0.001 0.000 0.263 222 G HA3 -0.165 3.796 3.960 0.001 0.000 0.263 222 G C 0.571 175.487 174.900 0.028 0.000 1.012 222 G CA 0.618 45.738 45.100 0.034 0.000 0.749 222 G HN 1.443 nan 8.290 nan 0.000 0.512 223 A N 0.217 123.051 122.820 0.023 0.000 2.668 223 A HA 0.523 4.844 4.320 0.001 0.000 0.223 223 A C 1.544 179.137 177.584 0.016 0.000 1.896 223 A CA 1.411 53.459 52.037 0.018 0.000 0.922 223 A CB -0.825 18.184 19.000 0.016 0.000 1.713 223 A HN 1.865 nan 8.150 nan 0.000 0.750 224 D N -1.215 119.193 120.400 0.013 0.000 2.763 224 D HA 0.401 5.042 4.640 0.001 0.000 0.249 224 D C 1.508 177.815 176.300 0.012 0.000 1.242 224 D CA 1.415 55.422 54.000 0.011 0.000 1.494 224 D CB -1.667 39.139 40.800 0.009 0.000 1.153 224 D HN 2.115 nan 8.370 nan 0.000 0.511 225 G N 1.130 109.938 108.800 0.013 0.000 2.299 225 G HA2 -0.274 3.687 3.960 0.001 0.000 0.237 225 G HA3 -0.274 3.687 3.960 0.001 0.000 0.237 225 G C 0.692 175.601 174.900 0.015 0.000 1.027 225 G CA 0.361 45.469 45.100 0.013 0.000 0.619 225 G HN 0.999 nan 8.290 nan 0.000 0.513 226 D N 1.738 122.147 120.400 0.016 0.000 2.668 226 D HA 0.292 4.932 4.640 0.001 0.000 0.285 226 D C 1.720 178.032 176.300 0.020 0.000 1.492 226 D CA 1.196 55.206 54.000 0.017 0.000 1.237 226 D CB -0.127 40.684 40.800 0.018 0.000 1.153 226 D HN 0.264 nan 8.370 nan 0.000 0.571 227 T N 2.186 116.751 114.554 0.018 0.000 2.708 227 T HA -0.150 4.201 4.350 0.001 0.000 0.266 227 T C 1.929 176.642 174.700 0.020 0.000 1.037 227 T CA 1.371 63.482 62.100 0.019 0.000 1.146 227 T CB -0.220 68.657 68.868 0.015 0.000 0.865 227 T HN 0.545 nan 8.240 nan 0.000 0.435 228 A N 1.346 124.176 122.820 0.016 0.000 1.948 228 A HA 0.015 4.336 4.320 0.001 0.000 0.220 228 A C 2.565 180.161 177.584 0.020 0.000 1.177 228 A CA 2.082 54.128 52.037 0.014 0.000 0.636 228 A CB -1.413 17.593 19.000 0.009 0.000 0.815 228 A HN 0.523 nan 8.150 nan 0.000 0.449 229 G N -0.920 107.895 108.800 0.024 0.000 2.453 229 G HA2 -0.190 3.771 3.960 0.001 0.000 0.215 229 G HA3 -0.190 3.771 3.960 0.001 0.000 0.215 229 G C 1.607 176.533 174.900 0.044 0.000 1.201 229 G CA 1.739 46.858 45.100 0.031 0.000 0.784 229 G HN 0.444 nan 8.290 nan 0.000 0.545 230 T N 1.495 116.077 114.554 0.045 0.000 2.699 230 T HA -0.141 4.209 4.350 0.001 0.000 0.268 230 T C 2.379 177.120 174.700 0.069 0.000 1.036 230 T CA 1.246 63.382 62.100 0.059 0.000 1.147 230 T CB -0.285 68.614 68.868 0.053 0.000 0.862 230 T HN 0.066 nan 8.240 nan 0.000 0.446 231 L N 1.631 122.885 121.223 0.052 0.000 2.042 231 L HA -0.132 4.209 4.340 0.001 0.000 0.210 231 L C 2.858 179.765 176.870 0.061 0.000 1.076 231 L CA 1.807 56.677 54.840 0.050 0.000 0.749 231 L CB -0.736 41.338 42.059 0.025 0.000 0.893 231 L HN 0.394 nan 8.230 nan 0.000 0.432 232 S N -1.103 114.629 115.700 0.054 0.000 2.406 232 S HA -0.093 4.378 4.470 0.001 0.000 0.228 232 S C 2.008 176.680 174.600 0.120 0.000 1.020 232 S CA 0.875 59.110 58.200 0.058 0.000 0.965 232 S CB -0.722 62.486 63.200 0.014 0.000 0.798 232 S HN 0.400 nan 8.310 nan 0.000 0.488 233 I N 1.550 122.194 120.570 0.124 0.000 2.226 233 I HA -0.157 4.014 4.170 0.001 0.000 0.245 233 I C 2.438 178.667 176.117 0.187 0.000 1.100 233 I CA 1.162 62.565 61.300 0.172 0.000 1.374 233 I CB -0.533 37.542 38.000 0.124 0.000 1.057 233 I HN 0.275 nan 8.210 nan 0.000 0.413 234 L N 0.766 122.082 121.223 0.156 0.000 1.994 234 L HA -0.211 4.130 4.340 0.001 0.000 0.208 234 L C 2.932 179.973 176.870 0.286 0.000 1.071 234 L CA 1.492 56.458 54.840 0.211 0.000 0.745 234 L CB -0.814 41.380 42.059 0.226 0.000 0.892 234 L HN 0.235 nan 8.230 nan 0.000 0.431 235 A N -0.283 122.658 122.820 0.200 0.000 1.986 235 A HA -0.288 4.033 4.320 0.001 0.000 0.220 235 A C 2.163 179.883 177.584 0.227 0.000 1.171 235 A CA 1.822 53.965 52.037 0.176 0.000 0.640 235 A CB -0.833 18.223 19.000 0.093 0.000 0.811 235 A HN 0.432 nan 8.150 nan 0.000 0.451 236 F N 1.847 121.850 119.950 0.088 0.000 2.084 236 F HA -0.161 4.366 4.527 0.001 0.000 0.296 236 F C 2.785 178.631 175.800 0.077 0.000 1.111 236 F CA 2.451 60.511 58.000 0.101 0.000 1.224 236 F CB -0.953 38.139 39.000 0.152 0.000 0.991 236 F HN 0.338 nan 8.300 nan 0.000 0.471 237 T N -1.663 112.810 114.554 -0.135 0.000 2.759 237 T HA -0.254 4.097 4.350 0.001 0.000 0.269 237 T C 2.008 176.534 174.700 -0.289 0.000 1.042 237 T CA 1.648 63.503 62.100 -0.409 0.000 1.140 237 T CB -1.388 66.996 68.868 -0.807 0.000 0.864 237 T HN 0.249 nan 8.240 nan 0.000 0.455 238 F N 2.042 121.927 119.950 -0.108 0.000 2.234 238 F HA 0.053 4.581 4.527 0.001 0.000 0.299 238 F C 2.886 178.658 175.800 -0.048 0.000 1.087 238 F CA 1.264 59.247 58.000 -0.028 0.000 1.340 238 F CB -0.695 38.308 39.000 0.005 0.000 1.031 238 F HN 0.173 nan 8.300 nan 0.000 0.500 239 T N -0.283 114.315 114.554 0.074 0.000 2.904 239 T HA -0.132 4.219 4.350 0.001 0.000 0.267 239 T C 2.063 176.721 174.700 -0.070 0.000 1.059 239 T CA 0.975 63.084 62.100 0.016 0.000 1.137 239 T CB -0.050 68.829 68.868 0.019 0.000 0.879 239 T HN 0.029 nan 8.240 nan 0.000 0.467 240 M N 0.819 120.294 119.600 -0.209 0.000 2.098 240 M HA 0.050 4.531 4.480 0.001 0.000 0.262 240 M C 2.536 178.794 176.300 -0.070 0.000 1.072 240 M CA 0.935 56.121 55.300 -0.190 0.000 1.133 240 M CB -1.502 30.900 32.600 -0.330 0.000 1.344 240 M HN 0.095 nan 8.290 nan 0.000 0.414 241 V N 0.980 120.855 119.914 -0.065 0.000 2.324 241 V HA -0.300 3.821 4.120 0.001 0.000 0.250 241 V C 2.658 178.745 176.094 -0.013 0.000 1.060 241 V CA 2.405 64.684 62.300 -0.034 0.000 1.042 241 V CB -1.384 30.374 31.823 -0.109 0.000 0.650 241 V HN 0.658 nan 8.190 nan 0.000 0.450 242 T N -1.491 113.076 114.554 0.022 0.000 2.623 242 T HA -0.019 4.332 4.350 0.001 0.000 0.254 242 T C 2.015 176.737 174.700 0.036 0.000 1.075 242 T CA 1.285 63.414 62.100 0.049 0.000 1.177 242 T CB -1.151 67.771 68.868 0.090 0.000 0.869 242 T HN 0.408 nan 8.240 nan 0.000 0.403 243 G N 1.039 109.860 108.800 0.035 0.000 2.418 243 G HA2 0.102 4.063 3.960 0.001 0.000 0.217 243 G HA3 0.102 4.063 3.960 0.001 0.000 0.217 243 G C 1.795 176.708 174.900 0.022 0.000 1.158 243 G CA 0.716 45.836 45.100 0.033 0.000 0.771 243 G HN 0.734 nan 8.290 nan 0.000 0.545 244 G N 0.246 109.049 108.800 0.006 0.000 2.448 244 G HA2 -0.213 3.748 3.960 0.001 0.000 0.219 244 G HA3 -0.213 3.748 3.960 0.001 0.000 0.219 244 G C 1.707 176.615 174.900 0.013 0.000 1.127 244 G CA 0.950 46.055 45.100 0.008 0.000 0.766 244 G HN 0.388 nan 8.290 nan 0.000 0.552 245 N N 1.185 119.892 118.700 0.011 0.000 2.182 245 N HA -0.068 4.672 4.740 0.001 0.000 0.186 245 N C 1.656 177.175 175.510 0.014 0.000 1.036 245 N CA 1.571 54.626 53.050 0.009 0.000 0.850 245 N CB -0.161 38.324 38.487 -0.002 0.000 1.010 245 N HN 0.471 nan 8.380 nan 0.000 0.432 246 D N -0.583 119.829 120.400 0.019 0.000 2.328 246 D HA -0.025 4.616 4.640 0.001 0.000 0.226 246 D C 1.370 177.677 176.300 0.011 0.000 1.066 246 D CA 0.490 54.502 54.000 0.021 0.000 0.861 246 D CB -0.164 40.656 40.800 0.033 0.000 0.912 246 D HN 0.213 nan 8.370 nan 0.000 0.521 247 T N -2.595 111.965 114.554 0.010 0.000 2.976 247 T HA -0.026 4.325 4.350 0.001 0.000 0.257 247 T C 1.988 176.677 174.700 -0.020 0.000 1.051 247 T CA 0.387 62.486 62.100 -0.003 0.000 1.141 247 T CB -0.579 68.297 68.868 0.013 0.000 0.881 247 T HN 0.059 nan 8.240 nan 0.000 0.461 248 V N 2.188 122.096 119.914 -0.009 0.000 2.427 248 V HA -0.150 3.970 4.120 0.001 0.000 0.248 248 V C 2.988 179.040 176.094 -0.070 0.000 1.051 248 V CA 2.167 64.450 62.300 -0.028 0.000 1.048 248 V CB -1.259 30.561 31.823 -0.005 0.000 0.666 248 V HN 0.544 nan 8.190 nan 0.000 0.456 249 T N 0.455 114.989 114.554 -0.034 0.000 2.746 249 T HA -0.114 4.237 4.350 0.001 0.000 0.267 249 T C 1.939 176.605 174.700 -0.057 0.000 1.039 249 T CA 1.553 63.638 62.100 -0.026 0.000 1.142 249 T CB -0.631 68.254 68.868 0.027 0.000 0.866 249 T HN 0.615 nan 8.240 nan 0.000 0.444 250 G N 1.388 110.165 108.800 -0.038 0.000 2.422 250 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 250 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 250 G C 1.558 176.427 174.900 -0.051 0.000 1.146 250 G CA 1.011 46.097 45.100 -0.023 0.000 0.769 250 G HN 0.494 nan 8.290 nan 0.000 0.547 251 M N -0.118 119.422 119.600 -0.100 0.000 2.077 251 M HA 0.062 4.542 4.480 0.001 0.000 0.261 251 M C 2.477 178.652 176.300 -0.208 0.000 1.070 251 M CA 1.356 56.579 55.300 -0.129 0.000 1.125 251 M CB -0.276 32.248 32.600 -0.127 0.000 1.339 251 M HN 0.200 nan 8.290 nan 0.000 0.409 252 L N 0.181 121.183 121.223 -0.368 0.000 1.976 252 L HA -0.122 4.219 4.340 0.001 0.000 0.209 252 L C 2.811 179.284 176.870 -0.662 0.000 1.071 252 L CA 1.611 55.978 54.840 -0.789 0.000 0.746 252 L CB -1.593 39.616 42.059 -1.417 0.000 0.890 252 L HN 0.540 nan 8.230 nan 0.000 0.432 253 G N -0.405 108.190 108.800 -0.341 0.000 2.446 253 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 253 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 253 G C 1.574 176.481 174.900 0.011 0.000 1.168 253 G CA 0.761 45.867 45.100 0.010 0.000 0.771 253 G HN 0.510 nan 8.290 nan 0.000 0.551 254 G N 0.248 109.069 108.800 0.036 0.000 2.462 254 G HA2 -0.110 3.850 3.960 0.001 0.000 0.220 254 G HA3 -0.110 3.850 3.960 0.001 0.000 0.220 254 G C 2.055 177.036 174.900 0.135 0.000 1.121 254 G CA 1.380 46.587 45.100 0.179 0.000 0.758 254 G HN 0.431 nan 8.290 nan 0.000 0.559 255 S N 0.172 115.891 115.700 0.032 0.000 2.406 255 S HA -0.035 4.436 4.470 0.001 0.000 0.228 255 S C 2.494 177.167 174.600 0.122 0.000 1.020 255 S CA 0.833 59.056 58.200 0.038 0.000 0.965 255 S CB -0.159 63.013 63.200 -0.048 0.000 0.798 255 S HN 0.191 nan 8.310 nan 0.000 0.488 256 M N 1.549 121.232 119.600 0.139 0.000 2.110 256 M HA -0.099 4.381 4.480 0.001 0.000 0.257 256 M C -0.745 175.753 176.300 0.329 0.000 1.071 256 M CA 1.671 57.122 55.300 0.252 0.000 1.096 256 M CB -2.874 29.859 32.600 0.221 0.000 1.300 256 M HN 0.169 nan 8.290 nan 0.000 0.411 257 P HA -0.122 nan 4.420 nan 0.000 0.217 257 P C 2.019 179.484 177.300 0.276 0.000 1.150 257 P CA 1.378 64.649 63.100 0.285 0.000 0.832 257 P CB -0.259 31.604 31.700 0.272 0.000 0.787 258 L N -1.111 120.245 121.223 0.222 0.000 2.012 258 L HA -0.167 4.174 4.340 0.001 0.000 0.210 258 L C 2.927 179.888 176.870 0.152 0.000 1.073 258 L CA 1.400 56.333 54.840 0.156 0.000 0.748 258 L CB -1.112 41.007 42.059 0.101 0.000 0.891 258 L HN -0.096 nan 8.230 nan 0.000 0.431 259 L N -1.173 120.176 121.223 0.211 0.000 2.027 259 L HA -0.237 4.103 4.340 0.001 0.000 0.206 259 L C 2.723 179.702 176.870 0.181 0.000 1.074 259 L CA 1.211 56.189 54.840 0.231 0.000 0.745 259 L CB -0.676 41.621 42.059 0.395 0.000 0.898 259 L HN 0.308 nan 8.230 nan 0.000 0.433 260 H N 0.764 119.922 119.070 0.146 0.000 2.289 260 H HA -0.192 4.365 4.556 0.001 0.000 0.294 260 H C 2.254 177.572 175.328 -0.016 0.000 1.095 260 H CA 1.803 57.844 56.048 -0.011 0.000 1.256 260 H CB 0.016 29.828 29.762 0.083 0.000 1.359 260 H HN 0.046 nan 8.280 nan 0.000 0.487 261 R N 0.161 120.636 120.500 -0.042 0.000 2.303 261 R HA -0.016 4.325 4.340 0.001 0.000 0.225 261 R C 0.137 176.376 176.300 -0.101 0.000 1.114 261 R CA 0.909 56.953 56.100 -0.095 0.000 1.007 261 R CB 0.044 30.369 30.300 0.043 0.000 0.861 261 R HN 0.388 nan 8.270 nan 0.000 0.471 262 R N -0.311 120.143 120.500 -0.077 0.000 2.797 262 R HA 0.186 4.526 4.340 0.001 0.000 0.274 262 R C -2.375 173.892 176.300 -0.056 0.000 1.652 262 R CA -1.423 54.642 56.100 -0.058 0.000 1.175 262 R CB 1.749 32.038 30.300 -0.018 0.000 1.283 262 R HN -0.113 nan 8.270 nan 0.000 0.513 263 P HA -0.134 nan 4.420 nan 0.000 0.229 263 P C 0.778 178.057 177.300 -0.036 0.000 1.160 263 P CA 0.837 63.889 63.100 -0.080 0.000 0.777 263 P CB 0.285 31.917 31.700 -0.114 0.000 0.814 264 D N -0.673 119.709 120.400 -0.030 0.000 2.149 264 D HA -0.177 4.463 4.640 0.001 0.000 0.201 264 D C 1.558 177.858 176.300 -0.001 0.000 0.972 264 D CA 1.168 55.159 54.000 -0.015 0.000 0.835 264 D CB -0.661 40.129 40.800 -0.016 0.000 0.966 264 D HN 0.101 nan 8.370 nan 0.000 0.476 265 Q N 0.171 119.973 119.800 0.003 0.000 2.172 265 Q HA -0.054 4.286 4.340 0.001 0.000 0.200 265 Q C 2.307 178.327 176.000 0.034 0.000 0.964 265 Q CA 0.560 56.372 55.803 0.016 0.000 0.855 265 Q CB -0.270 28.477 28.738 0.016 0.000 0.918 265 Q HN 0.403 nan 8.270 nan 0.000 0.444 266 R N 0.978 121.504 120.500 0.042 0.000 2.090 266 R HA -0.091 4.250 4.340 0.001 0.000 0.228 266 R C 2.041 178.377 176.300 0.059 0.000 1.110 266 R CA 1.057 57.203 56.100 0.076 0.000 0.973 266 R CB 0.038 30.389 30.300 0.085 0.000 0.869 266 R HN -0.010 nan 8.270 nan 0.000 0.440 267 R N 0.778 121.297 120.500 0.032 0.000 2.081 267 R HA -0.087 4.254 4.340 0.001 0.000 0.235 267 R C 2.158 178.474 176.300 0.027 0.000 1.131 267 R CA 1.161 57.276 56.100 0.025 0.000 0.960 267 R CB -0.839 29.466 30.300 0.009 0.000 0.856 267 R HN 0.179 nan 8.270 nan 0.000 0.436 268 L N 0.382 121.620 121.223 0.024 0.000 2.012 268 L HA -0.130 4.211 4.340 0.001 0.000 0.210 268 L C 2.114 179.001 176.870 0.029 0.000 1.073 268 L CA 1.711 56.565 54.840 0.022 0.000 0.748 268 L CB -0.748 41.322 42.059 0.019 0.000 0.891 268 L HN 0.253 nan 8.230 nan 0.000 0.431 269 L N -1.699 119.547 121.223 0.038 0.000 2.362 269 L HA -0.168 4.173 4.340 0.001 0.000 0.219 269 L C 2.279 179.177 176.870 0.046 0.000 1.134 269 L CA 0.478 55.344 54.840 0.042 0.000 0.807 269 L CB -0.411 41.680 42.059 0.053 0.000 0.927 269 L HN 0.291 nan 8.230 nan 0.000 0.447 270 L N -0.527 120.725 121.223 0.048 0.000 2.095 270 L HA -0.104 4.237 4.340 0.001 0.000 0.204 270 L C 1.851 178.742 176.870 0.036 0.000 1.080 270 L CA 0.935 55.804 54.840 0.049 0.000 0.759 270 L CB -0.299 41.790 42.059 0.051 0.000 0.914 270 L HN 0.257 nan 8.230 nan 0.000 0.439 271 D N -0.811 119.606 120.400 0.029 0.000 2.355 271 D HA -0.054 4.587 4.640 0.001 0.000 0.218 271 D C 0.029 176.342 176.300 0.021 0.000 1.004 271 D CA 0.763 54.776 54.000 0.023 0.000 0.880 271 D CB 0.216 41.027 40.800 0.018 0.000 0.911 271 D HN 0.223 nan 8.370 nan 0.000 0.528 272 D N -0.668 119.747 120.400 0.024 0.000 2.411 272 D HA 0.154 4.794 4.640 0.001 0.000 0.239 272 D C -2.308 174.007 176.300 0.025 0.000 1.307 272 D CA -1.443 52.570 54.000 0.022 0.000 0.930 272 D CB 1.476 42.287 40.800 0.019 0.000 1.395 272 D HN -0.310 nan 8.370 nan 0.000 0.536 273 P HA -0.087 nan 4.420 nan 0.000 0.226 273 P C 0.871 178.185 177.300 0.024 0.000 1.146 273 P CA 0.681 63.798 63.100 0.027 0.000 0.773 273 P CB 0.420 32.136 31.700 0.027 0.000 0.772 274 E N -0.645 119.568 120.200 0.022 0.000 2.153 274 E HA -0.083 4.267 4.350 0.001 0.000 0.194 274 E C 2.222 178.835 176.600 0.021 0.000 0.988 274 E CA 1.384 57.796 56.400 0.020 0.000 0.811 274 E CB -1.361 28.350 29.700 0.018 0.000 0.746 274 E HN 0.193 nan 8.360 nan 0.000 0.466 275 G N 0.356 109.169 108.800 0.021 0.000 2.498 275 G HA2 -0.203 3.757 3.960 0.001 0.000 0.219 275 G HA3 -0.203 3.757 3.960 0.001 0.000 0.219 275 G C 1.517 176.430 174.900 0.021 0.000 1.119 275 G CA 0.407 45.519 45.100 0.020 0.000 0.766 275 G HN 0.213 nan 8.290 nan 0.000 0.552 276 I N 1.396 121.980 120.570 0.024 0.000 2.087 276 I HA -0.185 3.985 4.170 0.001 0.000 0.240 276 I C 0.073 176.201 176.117 0.020 0.000 1.054 276 I CA 1.492 62.806 61.300 0.023 0.000 1.311 276 I CB -1.050 36.965 38.000 0.025 0.000 1.024 276 I HN 0.142 nan 8.210 nan 0.000 0.402 277 P HA -0.178 nan 4.420 nan 0.000 0.215 277 P C 1.076 178.389 177.300 0.022 0.000 1.157 277 P CA 1.646 64.760 63.100 0.023 0.000 0.874 277 P CB -0.052 31.663 31.700 0.025 0.000 0.790 278 D N -1.015 119.397 120.400 0.020 0.000 2.117 278 D HA -0.125 4.516 4.640 0.001 0.000 0.197 278 D C 2.001 178.306 176.300 0.007 0.000 0.987 278 D CA 1.538 55.547 54.000 0.016 0.000 0.829 278 D CB -0.746 40.063 40.800 0.015 0.000 0.961 278 D HN 0.041 nan 8.370 nan 0.000 0.460 279 A N 0.858 123.683 122.820 0.008 0.000 1.883 279 A HA -0.183 4.137 4.320 0.001 0.000 0.217 279 A C 2.574 180.153 177.584 -0.008 0.000 1.186 279 A CA 1.466 53.504 52.037 0.002 0.000 0.624 279 A CB -0.919 18.088 19.000 0.013 0.000 0.822 279 A HN 0.151 nan 8.150 nan 0.000 0.444 280 V N 0.379 120.292 119.914 -0.001 0.000 2.380 280 V HA -0.281 3.840 4.120 0.001 0.000 0.251 280 V C 2.608 178.695 176.094 -0.013 0.000 1.063 280 V CA 2.313 64.610 62.300 -0.005 0.000 1.055 280 V CB -0.737 31.094 31.823 0.013 0.000 0.657 280 V HN 0.539 nan 8.190 nan 0.000 0.455 281 E N -0.185 120.013 120.200 -0.003 0.000 2.047 281 E HA -0.232 4.119 4.350 0.001 0.000 0.191 281 E C 2.231 178.793 176.600 -0.065 0.000 0.987 281 E CA 1.474 57.867 56.400 -0.012 0.000 0.799 281 E CB -0.232 29.474 29.700 0.009 0.000 0.752 281 E HN 0.708 nan 8.360 nan 0.000 0.449 282 E N 0.953 121.114 120.200 -0.066 0.000 2.106 282 E HA -0.095 4.256 4.350 0.001 0.000 0.192 282 E C 2.180 178.708 176.600 -0.119 0.000 0.984 282 E CA 0.696 57.033 56.400 -0.105 0.000 0.806 282 E CB -0.281 29.374 29.700 -0.075 0.000 0.750 282 E HN 0.175 nan 8.360 nan 0.000 0.458 283 L N -0.104 121.069 121.223 -0.084 0.000 2.056 283 L HA -0.138 4.202 4.340 0.001 0.000 0.207 283 L C 2.549 179.346 176.870 -0.121 0.000 1.078 283 L CA 0.901 55.690 54.840 -0.084 0.000 0.749 283 L CB -0.414 41.610 42.059 -0.057 0.000 0.901 283 L HN 0.229 nan 8.230 nan 0.000 0.433 284 L N -0.510 120.636 121.223 -0.129 0.000 2.042 284 L HA -0.252 4.089 4.340 0.001 0.000 0.210 284 L C 2.897 179.626 176.870 -0.235 0.000 1.076 284 L CA 1.243 55.969 54.840 -0.191 0.000 0.749 284 L CB -0.438 41.509 42.059 -0.186 0.000 0.893 284 L HN 0.272 nan 8.230 nan 0.000 0.432 285 R N 0.425 120.789 120.500 -0.227 0.000 2.082 285 R HA -0.189 4.152 4.340 0.001 0.000 0.234 285 R C 2.318 178.454 176.300 -0.274 0.000 1.136 285 R CA 1.626 57.561 56.100 -0.276 0.000 0.935 285 R CB -0.300 29.787 30.300 -0.356 0.000 0.842 285 R HN 0.304 nan 8.270 nan 0.000 0.430 286 L N 0.244 121.309 121.223 -0.263 0.000 2.141 286 L HA -0.128 4.212 4.340 0.001 0.000 0.209 286 L C 2.631 179.350 176.870 -0.251 0.000 1.094 286 L CA 1.758 56.418 54.840 -0.299 0.000 0.763 286 L CB -0.572 41.337 42.059 -0.250 0.000 0.908 286 L HN 0.486 nan 8.230 nan 0.000 0.437 287 T N -4.914 109.550 114.554 -0.151 0.000 2.937 287 T HA -0.036 4.315 4.350 0.001 0.000 0.260 287 T C 1.129 175.792 174.700 -0.061 0.000 1.051 287 T CA 0.522 62.582 62.100 -0.066 0.000 1.141 287 T CB -0.216 68.618 68.868 -0.056 0.000 0.879 287 T HN 0.174 nan 8.240 nan 0.000 0.459 288 S N 2.789 118.411 115.700 -0.130 0.000 3.378 288 S HA -0.082 4.389 4.470 0.001 0.000 0.365 288 S C -1.396 173.157 174.600 -0.078 0.000 0.951 288 S CA 0.379 58.509 58.200 -0.116 0.000 1.274 288 S CB -1.246 61.941 63.200 -0.022 0.000 0.915 288 S HN 0.467 nan 8.310 nan 0.000 0.513 289 P HA -0.149 nan 4.420 nan 0.000 0.219 289 P C 0.528 177.796 177.300 -0.055 0.000 1.158 289 P CA 1.083 64.124 63.100 -0.098 0.000 0.895 289 P CB 0.126 31.765 31.700 -0.101 0.000 0.792 290 V N 1.435 121.337 119.914 -0.019 0.000 2.258 290 V HA 0.053 4.174 4.120 0.001 0.000 0.258 290 V C 1.483 177.690 176.094 0.188 0.000 1.121 290 V CA 0.053 62.412 62.300 0.097 0.000 0.942 290 V CB 0.405 32.296 31.823 0.114 0.000 1.170 290 V HN 0.079 nan 8.190 nan 0.000 0.487 291 Q N 2.678 122.595 119.800 0.195 0.000 2.181 291 Q HA -0.010 4.331 4.340 0.001 0.000 0.205 291 Q C 1.037 177.198 176.000 0.268 0.000 0.980 291 Q CA 1.280 57.252 55.803 0.280 0.000 0.862 291 Q CB 0.336 29.329 28.738 0.425 0.000 0.905 291 Q HN 0.868 nan 8.270 nan 0.000 0.429 292 G N -0.986 107.973 108.800 0.266 0.000 2.616 292 G HA2 0.536 4.497 3.960 0.001 0.000 0.294 292 G HA3 0.536 4.497 3.960 0.001 0.000 0.294 292 G C -1.726 173.231 174.900 0.096 0.000 1.489 292 G CA -0.711 44.426 45.100 0.062 0.000 0.836 292 G HN 0.026 nan 8.290 nan 0.000 0.527 293 L N 0.234 121.342 121.223 -0.192 0.000 2.424 293 L HA 0.823 5.164 4.340 0.001 0.000 0.258 293 L C 0.372 177.103 176.870 -0.231 0.000 0.995 293 L CA -1.154 53.578 54.840 -0.180 0.000 0.821 293 L CB 2.258 44.264 42.059 -0.087 0.000 1.383 293 L HN 0.856 nan 8.230 nan 0.000 0.410 294 A N 1.933 124.615 122.820 -0.231 0.000 2.269 294 A HA 0.939 5.260 4.320 0.001 0.000 0.327 294 A C -0.687 176.826 177.584 -0.119 0.000 1.112 294 A CA -0.562 51.368 52.037 -0.177 0.000 0.865 294 A CB 1.362 20.230 19.000 -0.220 0.000 1.227 294 A HN 0.669 nan 8.150 nan 0.000 0.498 295 R N -0.810 119.667 120.500 -0.038 0.000 2.855 295 R HA 0.671 5.012 4.340 0.001 0.000 0.266 295 R C -1.461 174.895 176.300 0.094 0.000 1.034 295 R CA -0.501 55.632 56.100 0.055 0.000 0.944 295 R CB 1.750 32.154 30.300 0.172 0.000 1.219 295 R HN 0.712 nan 8.270 nan 0.000 0.474 296 T N 1.295 115.914 114.554 0.108 0.000 2.812 296 T HA 0.257 4.608 4.350 0.001 0.000 0.282 296 T C -0.138 174.603 174.700 0.068 0.000 0.990 296 T CA -0.615 61.544 62.100 0.098 0.000 0.960 296 T CB 1.525 70.433 68.868 0.066 0.000 0.948 296 T HN 0.645 nan 8.240 nan 0.000 0.438 297 T N 0.090 114.664 114.554 0.032 0.000 2.926 297 T HA 0.228 4.579 4.350 0.001 0.000 0.307 297 T C 1.226 175.860 174.700 -0.110 0.000 1.059 297 T CA -0.387 61.621 62.100 -0.154 0.000 1.122 297 T CB 0.564 69.329 68.868 -0.171 0.000 0.972 297 T HN 0.653 nan 8.240 nan 0.000 0.545 298 T N -1.033 113.418 114.554 -0.172 0.000 3.174 298 T HA 0.447 4.798 4.350 0.001 0.000 0.269 298 T C 0.128 174.762 174.700 -0.110 0.000 1.017 298 T CA -0.889 61.150 62.100 -0.103 0.000 0.899 298 T CB -0.471 68.346 68.868 -0.085 0.000 1.077 298 T HN 1.086 nan 8.240 nan 0.000 0.552 299 R N -1.529 118.887 120.500 -0.139 0.000 3.321 299 R HA 0.368 4.709 4.340 0.001 0.000 0.271 299 R C -2.471 173.745 176.300 -0.140 0.000 0.994 299 R CA -0.902 55.127 56.100 -0.119 0.000 0.920 299 R CB -1.065 29.164 30.300 -0.117 0.000 1.271 299 R HN -0.076 nan 8.270 nan 0.000 0.531 300 D N 0.688 121.026 120.400 -0.104 0.000 2.531 300 D HA 0.281 4.922 4.640 0.001 0.000 0.239 300 D C -0.573 175.649 176.300 -0.130 0.000 1.144 300 D CA 0.416 54.352 54.000 -0.107 0.000 0.869 300 D CB 1.099 41.852 40.800 -0.078 0.000 1.160 300 D HN 0.460 nan 8.370 nan 0.000 0.484 301 V N 2.443 122.267 119.914 -0.149 0.000 2.789 301 V HA 0.541 4.662 4.120 0.001 0.000 0.311 301 V C -0.733 175.305 176.094 -0.094 0.000 1.073 301 V CA -0.382 61.838 62.300 -0.134 0.000 0.921 301 V CB 2.421 34.123 31.823 -0.202 0.000 1.009 301 V HN 0.557 nan 8.190 nan 0.000 0.426 302 T N 7.950 122.470 114.554 -0.056 0.000 2.770 302 T HA 0.630 4.981 4.350 0.001 0.000 0.283 302 T C -0.458 174.235 174.700 -0.011 0.000 0.988 302 T CA -0.036 62.036 62.100 -0.045 0.000 0.957 302 T CB 0.723 69.567 68.868 -0.040 0.000 0.930 302 T HN 0.534 nan 8.240 nan 0.000 0.443 303 I N 2.669 123.232 120.570 -0.012 0.000 2.406 303 I HA 0.532 4.703 4.170 0.001 0.000 0.290 303 I C 1.266 177.386 176.117 0.005 0.000 0.999 303 I CA -0.480 60.826 61.300 0.011 0.000 1.124 303 I CB 1.458 39.471 38.000 0.021 0.000 1.289 303 I HN 0.858 nan 8.210 nan 0.000 0.441 304 G N 5.589 114.396 108.800 0.013 0.000 2.634 304 G HA2 -0.340 3.621 3.960 0.001 0.000 0.318 304 G HA3 -0.340 3.621 3.960 0.001 0.000 0.318 304 G C 0.422 175.328 174.900 0.010 0.000 1.207 304 G CA 0.752 45.862 45.100 0.016 0.000 0.987 304 G HN 0.829 nan 8.290 nan 0.000 0.547 305 D N -0.117 120.292 120.400 0.015 0.000 2.469 305 D HA 0.256 4.896 4.640 0.001 0.000 0.215 305 D C 0.560 176.862 176.300 0.004 0.000 1.154 305 D CA 0.683 54.690 54.000 0.011 0.000 0.832 305 D CB 0.229 41.042 40.800 0.021 0.000 1.008 305 D HN 0.397 nan 8.370 nan 0.000 0.506 306 T N 0.425 114.975 114.554 -0.007 0.000 2.824 306 T HA 0.454 4.805 4.350 0.001 0.000 0.280 306 T C -0.357 174.286 174.700 -0.095 0.000 0.995 306 T CA -0.149 61.930 62.100 -0.035 0.000 1.009 306 T CB 1.903 70.759 68.868 -0.021 0.000 0.955 306 T HN -0.125 nan 8.240 nan 0.000 0.452 307 T N 3.854 118.331 114.554 -0.129 0.000 2.977 307 T HA 0.404 4.755 4.350 0.001 0.000 0.346 307 T C 0.409 174.951 174.700 -0.263 0.000 1.140 307 T CA -0.485 61.522 62.100 -0.155 0.000 1.040 307 T CB -0.097 68.715 68.868 -0.093 0.000 1.046 307 T HN 0.455 nan 8.240 nan 0.000 0.494 308 I N 5.209 125.547 120.570 -0.388 0.000 2.494 308 I HA 0.155 4.326 4.170 0.001 0.000 0.289 308 I C -2.009 173.956 176.117 -0.252 0.000 1.106 308 I CA -1.966 58.996 61.300 -0.563 0.000 1.369 308 I CB 0.260 37.911 38.000 -0.582 0.000 1.410 308 I HN 0.212 nan 8.210 nan 0.000 0.523 309 P HA -0.022 nan 4.420 nan 0.000 0.267 309 P C -0.220 177.057 177.300 -0.039 0.000 1.201 309 P CA -0.067 62.998 63.100 -0.058 0.000 0.775 309 P CB 0.564 32.265 31.700 0.003 0.000 0.854 310 A N 2.439 125.234 122.820 -0.041 0.000 2.406 310 A HA 0.447 4.767 4.320 0.001 0.000 0.243 310 A C 1.600 179.193 177.584 0.014 0.000 1.082 310 A CA 0.598 52.613 52.037 -0.037 0.000 0.786 310 A CB -1.256 17.716 19.000 -0.046 0.000 1.029 310 A HN 0.854 nan 8.150 nan 0.000 0.495 311 G N -0.240 108.577 108.800 0.028 0.000 2.212 311 G HA2 -0.250 3.711 3.960 0.001 0.000 0.266 311 G HA3 -0.250 3.711 3.960 0.001 0.000 0.266 311 G C 0.490 175.488 174.900 0.164 0.000 0.978 311 G CA 0.928 46.075 45.100 0.078 0.000 0.632 311 G HN 0.891 nan 8.290 nan 0.000 0.537 312 R N 0.269 120.875 120.500 0.177 0.000 2.490 312 R HA 0.711 5.051 4.340 0.001 0.000 0.278 312 R C 0.721 177.217 176.300 0.327 0.000 1.069 312 R CA -0.567 55.723 56.100 0.317 0.000 1.080 312 R CB 0.426 30.924 30.300 0.330 0.000 1.030 312 R HN 0.351 nan 8.270 nan 0.000 0.491 313 R N 1.182 121.929 120.500 0.412 0.000 2.349 313 R HA 0.473 4.813 4.340 0.001 0.000 0.299 313 R C -1.114 175.340 176.300 0.257 0.000 1.027 313 R CA -0.447 55.763 56.100 0.184 0.000 0.958 313 R CB 0.952 31.140 30.300 -0.186 0.000 1.047 313 R HN 0.317 nan 8.270 nan 0.000 0.468 314 V N 5.740 125.761 119.914 0.178 0.000 2.483 314 V HA 0.260 4.381 4.120 0.001 0.000 0.297 314 V C -0.889 175.226 176.094 0.035 0.000 1.027 314 V CA -0.924 61.490 62.300 0.190 0.000 0.855 314 V CB 1.645 33.605 31.823 0.229 0.000 0.995 314 V HN 0.586 nan 8.190 nan 0.000 0.424 315 L N 6.605 127.838 121.223 0.016 0.000 2.278 315 L HA 0.487 4.828 4.340 0.001 0.000 0.287 315 L C -0.399 176.387 176.870 -0.141 0.000 1.072 315 L CA 0.303 55.098 54.840 -0.074 0.000 0.819 315 L CB 0.629 42.661 42.059 -0.045 0.000 1.176 315 L HN 0.542 nan 8.230 nan 0.000 0.435 316 L N 6.661 127.732 121.223 -0.253 0.000 2.282 316 L HA 0.219 4.560 4.340 0.001 0.000 0.287 316 L C -0.301 176.295 176.870 -0.458 0.000 1.075 316 L CA -0.799 53.817 54.840 -0.373 0.000 0.839 316 L CB 0.722 42.477 42.059 -0.506 0.000 1.219 316 L HN 0.470 nan 8.230 nan 0.000 0.434 317 L N 4.961 126.021 121.223 -0.271 0.000 2.400 317 L HA 0.023 4.363 4.340 0.001 0.000 0.262 317 L C 0.901 177.679 176.870 -0.152 0.000 1.309 317 L CA 0.507 55.211 54.840 -0.226 0.000 1.186 317 L CB -0.944 40.946 42.059 -0.282 0.000 1.375 317 L HN 0.414 nan 8.230 nan 0.000 0.433 318 Y N 1.117 121.382 120.300 -0.059 0.000 2.151 318 Y HA -0.231 4.320 4.550 0.001 0.000 0.284 318 Y C 2.277 178.137 175.900 -0.066 0.000 1.166 318 Y CA 1.362 59.422 58.100 -0.067 0.000 1.163 318 Y CB -1.072 37.352 38.460 -0.060 0.000 0.974 318 Y HN 0.542 nan 8.280 nan 0.000 0.511 319 G N -1.642 107.238 108.800 0.133 0.000 2.442 319 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 319 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 319 G C 2.033 176.966 174.900 0.054 0.000 1.141 319 G CA 1.316 46.506 45.100 0.150 0.000 0.763 319 G HN 0.440 nan 8.290 nan 0.000 0.554 320 S N 0.454 115.992 115.700 -0.269 0.000 2.387 320 S HA 0.163 4.634 4.470 0.001 0.000 0.226 320 S C 2.725 177.334 174.600 0.013 0.000 1.026 320 S CA 1.385 59.449 58.200 -0.227 0.000 0.972 320 S CB -0.394 62.509 63.200 -0.496 0.000 0.814 320 S HN 0.530 nan 8.310 nan 0.000 0.477 321 A N 2.287 125.124 122.820 0.029 0.000 1.877 321 A HA -0.107 4.213 4.320 0.001 0.000 0.216 321 A C 1.918 179.669 177.584 0.279 0.000 1.186 321 A CA 1.841 53.965 52.037 0.143 0.000 0.620 321 A CB -0.959 18.084 19.000 0.072 0.000 0.822 321 A HN 0.597 nan 8.150 nan 0.000 0.443 322 N N -0.431 118.363 118.700 0.156 0.000 2.519 322 N HA -0.069 4.672 4.740 0.001 0.000 0.186 322 N C 1.327 176.800 175.510 -0.063 0.000 1.062 322 N CA 0.846 53.930 53.050 0.057 0.000 0.910 322 N CB -0.237 38.180 38.487 -0.117 0.000 0.958 322 N HN 0.541 nan 8.380 nan 0.000 0.445 323 R N -0.219 120.300 120.500 0.033 0.000 2.397 323 R HA 0.103 4.443 4.340 0.001 0.000 0.241 323 R C -0.325 176.044 176.300 0.116 0.000 0.914 323 R CA -0.324 55.778 56.100 0.004 0.000 1.071 323 R CB 0.451 30.734 30.300 -0.029 0.000 1.116 323 R HN 0.035 nan 8.270 nan 0.000 0.524 324 D N 1.405 121.925 120.400 0.199 0.000 2.412 324 D HA -0.060 4.581 4.640 0.001 0.000 0.257 324 D C 0.459 176.844 176.300 0.142 0.000 1.217 324 D CA 0.403 54.505 54.000 0.169 0.000 0.897 324 D CB 1.105 42.021 40.800 0.195 0.000 1.132 324 D HN -0.009 nan 8.370 nan 0.000 0.493 325 E N 3.141 123.394 120.200 0.089 0.000 2.153 325 E HA -0.164 4.187 4.350 0.001 0.000 0.194 325 E C 1.953 178.565 176.600 0.020 0.000 0.988 325 E CA 1.033 57.469 56.400 0.061 0.000 0.811 325 E CB 0.076 29.801 29.700 0.042 0.000 0.746 325 E HN 0.497 nan 8.360 nan 0.000 0.466 326 R N -0.073 120.432 120.500 0.008 0.000 2.091 326 R HA -0.191 4.150 4.340 0.001 0.000 0.238 326 R C 2.288 178.520 176.300 -0.114 0.000 1.136 326 R CA 1.614 57.698 56.100 -0.026 0.000 0.959 326 R CB -0.203 30.100 30.300 0.005 0.000 0.856 326 R HN 0.110 nan 8.270 nan 0.000 0.437 327 Q N -0.207 119.459 119.800 -0.222 0.000 2.123 327 Q HA -0.058 4.283 4.340 0.001 0.000 0.196 327 Q C 0.705 176.273 176.000 -0.719 0.000 0.958 327 Q CA 1.472 56.915 55.803 -0.600 0.000 0.841 327 Q CB 0.220 28.286 28.738 -1.119 0.000 0.915 327 Q HN 0.458 nan 8.270 nan 0.000 0.455 328 Y N -0.630 119.590 120.300 -0.133 0.000 2.507 328 Y HA 0.509 5.060 4.550 0.001 0.000 0.254 328 Y C 0.795 176.657 175.900 -0.063 0.000 1.171 328 Y CA 0.053 58.092 58.100 -0.102 0.000 1.238 328 Y CB 0.926 39.325 38.460 -0.102 0.000 1.148 328 Y HN 0.214 nan 8.280 nan 0.000 0.525 329 G N 0.566 109.388 108.800 0.036 0.000 2.710 329 G HA2 -0.209 3.752 3.960 0.001 0.000 0.668 329 G HA3 -0.209 3.752 3.960 0.001 0.000 0.668 329 G C -2.189 172.733 174.900 0.036 0.000 1.320 329 G CA -0.732 44.384 45.100 0.028 0.000 0.860 329 G HN 0.025 nan 8.290 nan 0.000 0.538 330 P HA -0.011 nan 4.420 nan 0.000 0.216 330 P C 1.254 178.567 177.300 0.021 0.000 1.153 330 P CA 1.903 65.016 63.100 0.021 0.000 0.858 330 P CB -0.032 31.677 31.700 0.016 0.000 0.789 331 D N -1.025 119.386 120.400 0.018 0.000 2.352 331 D HA 0.104 4.744 4.640 0.001 0.000 0.236 331 D C 1.413 177.710 176.300 -0.004 0.000 1.148 331 D CA 0.063 54.067 54.000 0.007 0.000 0.844 331 D CB -0.704 40.098 40.800 0.002 0.000 0.933 331 D HN 0.037 nan 8.370 nan 0.000 0.507 332 A N 1.120 123.949 122.820 0.015 0.000 1.958 332 A HA -0.149 4.171 4.320 0.001 0.000 0.221 332 A C 2.377 179.916 177.584 -0.075 0.000 1.178 332 A CA 2.186 54.224 52.037 0.002 0.000 0.642 332 A CB -0.822 18.216 19.000 0.063 0.000 0.816 332 A HN 0.447 nan 8.150 nan 0.000 0.453 333 A N -1.091 121.694 122.820 -0.058 0.000 2.119 333 A HA 0.094 4.415 4.320 0.001 0.000 0.217 333 A C 0.920 178.438 177.584 -0.111 0.000 1.153 333 A CA 0.682 52.658 52.037 -0.102 0.000 0.692 333 A CB -0.114 18.863 19.000 -0.039 0.000 0.799 333 A HN 0.472 nan 8.150 nan 0.000 0.458 334 E N -1.000 119.156 120.200 -0.073 0.000 2.280 334 E HA 0.437 4.788 4.350 0.001 0.000 0.264 334 E C -0.823 175.733 176.600 -0.074 0.000 1.064 334 E CA -0.861 55.504 56.400 -0.058 0.000 0.900 334 E CB 0.932 30.615 29.700 -0.029 0.000 1.123 334 E HN 0.186 nan 8.360 nan 0.000 0.418 335 L N 1.749 122.941 121.223 -0.052 0.000 2.305 335 L HA 0.297 4.638 4.340 0.001 0.000 0.281 335 L C -0.623 176.226 176.870 -0.035 0.000 1.085 335 L CA 0.228 55.038 54.840 -0.049 0.000 0.813 335 L CB 0.574 42.619 42.059 -0.023 0.000 1.157 335 L HN 0.271 nan 8.230 nan 0.000 0.436 336 D N 3.218 123.593 120.400 -0.041 0.000 2.364 336 D HA 0.103 4.743 4.640 0.001 0.000 0.251 336 D C 0.818 177.105 176.300 -0.022 0.000 1.282 336 D CA -0.150 53.835 54.000 -0.025 0.000 0.927 336 D CB 0.998 41.783 40.800 -0.024 0.000 1.267 336 D HN 0.351 nan 8.370 nan 0.000 0.531 337 V N 1.698 121.605 119.914 -0.011 0.000 3.099 337 V HA -0.120 4.001 4.120 0.001 0.000 0.269 337 V C 1.555 177.648 176.094 -0.001 0.000 1.150 337 V CA 2.251 64.548 62.300 -0.005 0.000 1.165 337 V CB -1.394 30.435 31.823 0.009 0.000 0.756 337 V HN 0.609 nan 8.190 nan 0.000 0.527 338 T N -2.940 111.614 114.554 -0.001 0.000 3.040 338 T HA 0.106 4.457 4.350 0.001 0.000 0.250 338 T C 1.823 176.526 174.700 0.005 0.000 1.058 338 T CA 0.497 62.599 62.100 0.005 0.000 0.988 338 T CB -0.246 68.626 68.868 0.007 0.000 0.993 338 T HN 0.501 nan 8.240 nan 0.000 0.519 339 R N 0.680 121.179 120.500 -0.002 0.000 2.119 339 R HA -0.127 4.214 4.340 0.001 0.000 0.246 339 R C 0.386 176.696 176.300 0.016 0.000 1.146 339 R CA 1.443 57.545 56.100 0.003 0.000 0.962 339 R CB -1.221 29.068 30.300 -0.018 0.000 0.863 339 R HN 0.515 nan 8.270 nan 0.000 0.442 340 C N 0.986 120.292 119.300 0.009 0.000 3.514 340 C HA -0.070 4.390 4.460 0.001 0.000 0.286 340 C C -2.166 172.849 174.990 0.042 0.000 1.302 340 C CA -0.492 58.539 59.018 0.022 0.000 2.239 340 C CB -1.793 25.962 27.740 0.025 0.000 1.429 340 C HN 0.498 nan 8.230 nan 0.000 0.565 341 P HA 0.238 nan 4.420 nan 0.000 0.267 341 P C 0.008 177.390 177.300 0.136 0.000 1.205 341 P CA 0.768 63.932 63.100 0.107 0.000 0.765 341 P CB 0.560 32.226 31.700 -0.058 0.000 0.828 342 R N 3.314 123.919 120.500 0.175 0.000 2.589 342 R HA 0.308 4.648 4.340 0.001 0.000 0.293 342 R C 0.618 176.947 176.300 0.049 0.000 0.963 342 R CA -0.676 55.477 56.100 0.090 0.000 0.905 342 R CB 0.268 30.590 30.300 0.037 0.000 1.144 342 R HN 0.527 nan 8.270 nan 0.000 0.459 343 N N 0.304 119.024 118.700 0.033 0.000 2.862 343 N HA -0.158 4.582 4.740 0.001 0.000 0.248 343 N C 0.206 175.745 175.510 0.049 0.000 1.116 343 N CA 0.770 53.766 53.050 -0.091 0.000 0.727 343 N CB -1.604 36.561 38.487 -0.537 0.000 1.083 343 N HN 0.726 nan 8.380 nan 0.000 0.555 344 I N -2.643 117.992 120.570 0.108 0.000 2.754 344 I HA 0.104 4.275 4.170 0.001 0.000 0.285 344 I C 1.112 177.135 176.117 -0.157 0.000 1.166 344 I CA -0.269 61.053 61.300 0.037 0.000 1.417 344 I CB 0.481 38.445 38.000 -0.060 0.000 1.382 344 I HN -0.187 nan 8.210 nan 0.000 0.588 345 L N 4.079 125.178 121.223 -0.207 0.000 2.628 345 L HA 0.113 4.454 4.340 0.001 0.000 0.229 345 L C 2.074 178.593 176.870 -0.584 0.000 1.137 345 L CA 0.712 55.310 54.840 -0.403 0.000 0.909 345 L CB -0.811 41.112 42.059 -0.227 0.000 1.137 345 L HN 0.810 nan 8.230 nan 0.000 0.470 346 T N -0.306 113.950 114.554 -0.496 0.000 2.760 346 T HA -0.206 4.145 4.350 0.001 0.000 0.269 346 T C 1.061 175.246 174.700 -0.860 0.000 1.047 346 T CA 1.841 63.538 62.100 -0.672 0.000 1.139 346 T CB -0.327 68.052 68.868 -0.815 0.000 0.855 346 T HN 0.177 nan 8.240 nan 0.000 0.471 347 F N 0.388 120.060 119.950 -0.463 0.000 2.661 347 F HA 0.542 5.070 4.527 0.001 0.000 0.306 347 F C 1.130 176.572 175.800 -0.596 0.000 1.094 347 F CA -0.378 57.312 58.000 -0.516 0.000 1.254 347 F CB -0.223 38.418 39.000 -0.599 0.000 1.040 347 F HN 0.042 nan 8.300 nan 0.000 0.562 348 S N 0.066 115.406 115.700 -0.601 0.000 3.833 348 S HA -0.229 4.242 4.470 0.001 0.000 0.638 348 S C -0.876 173.564 174.600 -0.266 0.000 1.967 348 S CA 0.009 57.896 58.200 -0.523 0.000 2.145 348 S CB -0.691 62.360 63.200 -0.248 0.000 0.329 348 S HN 0.596 nan 8.310 nan 0.000 1.786 349 H N -0.659 118.519 119.070 0.180 0.000 3.087 349 H HA 0.583 5.139 4.556 0.001 0.000 0.348 349 H C 0.229 175.720 175.328 0.272 0.000 1.092 349 H CA 0.183 56.415 56.048 0.307 0.000 1.285 349 H CB 1.402 31.415 29.762 0.418 0.000 1.875 349 H HN 1.531 nan 8.280 nan 0.000 0.512 350 G N 0.560 109.592 108.800 0.387 0.000 2.342 350 G HA2 -0.004 3.957 3.960 0.001 0.000 0.220 350 G HA3 -0.004 3.957 3.960 0.001 0.000 0.220 350 G C 0.903 175.881 174.900 0.130 0.000 1.243 350 G CA -0.219 45.025 45.100 0.240 0.000 1.083 350 G HN 0.828 nan 8.290 nan 0.000 0.500 351 A N -1.247 121.561 122.820 -0.020 0.000 2.042 351 A HA -0.037 4.284 4.320 0.001 0.000 0.222 351 A C 1.582 178.970 177.584 -0.326 0.000 1.167 351 A CA 2.521 54.399 52.037 -0.265 0.000 0.649 351 A CB -0.607 18.028 19.000 -0.608 0.000 0.809 351 A HN 0.849 nan 8.150 nan 0.000 0.457 352 H N -2.101 117.029 119.070 0.100 0.000 2.592 352 H HA 0.072 4.629 4.556 0.001 0.000 0.279 352 H C 0.144 175.542 175.328 0.118 0.000 1.089 352 H CA -0.323 55.784 56.048 0.099 0.000 1.150 352 H CB -0.369 29.402 29.762 0.014 0.000 1.575 352 H HN 0.653 nan 8.280 nan 0.000 0.547 353 H N 1.840 120.981 119.070 0.118 0.000 3.214 353 H HA -0.117 4.439 4.556 0.001 0.000 0.291 353 H C 0.178 175.519 175.328 0.021 0.000 0.926 353 H CA 0.262 56.352 56.048 0.070 0.000 1.409 353 H CB 0.170 29.977 29.762 0.075 0.000 1.406 353 H HN 0.343 nan 8.280 nan 0.000 0.561 354 C N 6.688 125.807 119.300 -0.302 0.000 2.211 354 C HA -0.099 4.362 4.460 0.001 0.000 0.393 354 C C 2.139 176.987 174.990 -0.237 0.000 1.531 354 C CA -0.142 58.736 59.018 -0.234 0.000 1.465 354 C CB -1.586 26.032 27.740 -0.203 0.000 2.534 354 C HN 0.927 nan 8.230 nan 0.000 0.592 355 L N 4.834 125.898 121.223 -0.266 0.000 2.217 355 L HA 0.111 4.451 4.340 0.001 0.000 0.211 355 L C 2.380 179.086 176.870 -0.273 0.000 1.107 355 L CA 1.552 56.139 54.840 -0.422 0.000 0.783 355 L CB -0.324 41.113 42.059 -1.037 0.000 0.919 355 L HN 0.983 nan 8.230 nan 0.000 0.442 356 G N -1.601 107.070 108.800 -0.215 0.000 3.448 356 G HA2 0.216 4.177 3.960 0.001 0.000 0.261 356 G HA3 0.216 4.177 3.960 0.001 0.000 0.261 356 G C 1.439 176.202 174.900 -0.227 0.000 1.173 356 G CA 0.476 45.538 45.100 -0.063 0.000 0.835 356 G HN 0.332 nan 8.290 nan 0.000 0.534 357 A N 0.918 123.449 122.820 -0.482 0.000 1.940 357 A HA 0.165 4.486 4.320 0.001 0.000 0.219 357 A C 2.648 179.944 177.584 -0.479 0.000 1.176 357 A CA 2.116 53.530 52.037 -1.039 0.000 0.631 357 A CB -0.349 17.745 19.000 -1.509 0.000 0.814 357 A HN 0.702 nan 8.150 nan 0.000 0.446 358 A N -0.759 121.934 122.820 -0.211 0.000 2.067 358 A HA 0.371 4.692 4.320 0.001 0.000 0.217 358 A C 2.337 179.921 177.584 -0.000 0.000 1.156 358 A CA 1.489 53.490 52.037 -0.061 0.000 0.683 358 A CB -0.615 18.392 19.000 0.011 0.000 0.808 358 A HN 0.890 nan 8.150 nan 0.000 0.455 359 A N 0.003 122.819 122.820 -0.007 0.000 1.898 359 A HA 0.298 4.619 4.320 0.001 0.000 0.214 359 A C 2.467 180.066 177.584 0.027 0.000 1.183 359 A CA 1.609 53.669 52.037 0.037 0.000 0.622 359 A CB -0.935 18.019 19.000 -0.078 0.000 0.824 359 A HN 0.887 nan 8.150 nan 0.000 0.444 360 A N -0.014 122.809 122.820 0.005 0.000 1.877 360 A HA -0.165 4.156 4.320 0.001 0.000 0.216 360 A C 2.230 179.856 177.584 0.070 0.000 1.186 360 A CA 1.618 53.692 52.037 0.061 0.000 0.620 360 A CB -0.501 18.597 19.000 0.163 0.000 0.822 360 A HN 0.512 nan 8.150 nan 0.000 0.443 361 R N -1.349 119.194 120.500 0.072 0.000 2.105 361 R HA -0.140 4.201 4.340 0.001 0.000 0.239 361 R C 2.355 178.681 176.300 0.045 0.000 1.135 361 R CA 1.610 57.753 56.100 0.072 0.000 0.967 361 R CB -0.356 29.980 30.300 0.059 0.000 0.861 361 R HN 0.617 nan 8.270 nan 0.000 0.442 362 M N 1.015 120.640 119.600 0.042 0.000 2.067 362 M HA -0.217 4.264 4.480 0.001 0.000 0.260 362 M C 1.780 178.103 176.300 0.038 0.000 1.069 362 M CA 1.878 57.203 55.300 0.042 0.000 1.117 362 M CB -0.393 32.239 32.600 0.053 0.000 1.334 362 M HN 0.153 nan 8.290 nan 0.000 0.407 363 Q N -0.804 119.020 119.800 0.040 0.000 2.061 363 Q HA -0.247 4.094 4.340 0.001 0.000 0.204 363 Q C 2.421 178.425 176.000 0.006 0.000 0.984 363 Q CA 2.159 57.983 55.803 0.034 0.000 0.846 363 Q CB -0.479 28.279 28.738 0.033 0.000 0.902 363 Q HN 0.726 nan 8.270 nan 0.000 0.421 364 C N 0.632 119.926 119.300 -0.011 0.000 2.413 364 C HA -0.171 4.290 4.460 0.001 0.000 0.276 364 C C 2.809 177.787 174.990 -0.021 0.000 1.236 364 C CA 1.147 60.138 59.018 -0.045 0.000 1.735 364 C CB -0.826 26.892 27.740 -0.036 0.000 2.031 364 C HN 0.508 nan 8.230 nan 0.000 0.474 365 R N 0.091 120.594 120.500 0.005 0.000 2.082 365 R HA -0.123 4.218 4.340 0.001 0.000 0.234 365 R C 2.091 178.401 176.300 0.016 0.000 1.136 365 R CA 2.674 58.782 56.100 0.013 0.000 0.935 365 R CB -0.634 29.679 30.300 0.022 0.000 0.842 365 R HN 0.420 nan 8.270 nan 0.000 0.430 366 V N 1.440 121.369 119.914 0.024 0.000 2.252 366 V HA -0.301 3.820 4.120 0.001 0.000 0.249 366 V C 2.601 178.714 176.094 0.031 0.000 1.056 366 V CA 2.106 64.425 62.300 0.032 0.000 1.022 366 V CB -1.035 30.815 31.823 0.045 0.000 0.641 366 V HN 0.648 nan 8.190 nan 0.000 0.445 367 A N -0.038 122.802 122.820 0.034 0.000 1.849 367 A HA -0.260 4.061 4.320 0.001 0.000 0.217 367 A C 2.193 179.788 177.584 0.018 0.000 1.202 367 A CA 2.410 54.475 52.037 0.047 0.000 0.629 367 A CB -0.880 18.146 19.000 0.044 0.000 0.834 367 A HN 0.459 nan 8.150 nan 0.000 0.447 368 L N -0.123 121.094 121.223 -0.010 0.000 2.081 368 L HA -0.145 4.196 4.340 0.001 0.000 0.212 368 L C 2.413 179.288 176.870 0.008 0.000 1.080 368 L CA 2.904 57.737 54.840 -0.012 0.000 0.754 368 L CB -1.257 40.794 42.059 -0.013 0.000 0.893 368 L HN 0.436 nan 8.230 nan 0.000 0.433 369 T N -0.573 113.990 114.554 0.015 0.000 2.674 369 T HA -0.130 4.221 4.350 0.001 0.000 0.265 369 T C 1.730 176.444 174.700 0.022 0.000 1.039 369 T CA 1.446 63.560 62.100 0.023 0.000 1.150 369 T CB -0.179 68.703 68.868 0.023 0.000 0.864 369 T HN 0.338 nan 8.240 nan 0.000 0.427 370 E N 0.954 121.164 120.200 0.016 0.000 2.058 370 E HA -0.090 4.261 4.350 0.001 0.000 0.194 370 E C 2.241 178.844 176.600 0.005 0.000 0.997 370 E CA 0.710 57.116 56.400 0.011 0.000 0.801 370 E CB -0.704 28.998 29.700 0.004 0.000 0.746 370 E HN 0.299 nan 8.360 nan 0.000 0.450 371 L N 0.942 122.156 121.223 -0.015 0.000 1.971 371 L HA -0.180 4.160 4.340 0.001 0.000 0.215 371 L C 2.329 179.213 176.870 0.024 0.000 1.072 371 L CA 1.643 56.455 54.840 -0.045 0.000 0.758 371 L CB -0.662 41.312 42.059 -0.141 0.000 0.889 371 L HN 0.093 nan 8.230 nan 0.000 0.433 372 L N -0.744 120.508 121.223 0.048 0.000 2.265 372 L HA -0.178 4.163 4.340 0.001 0.000 0.215 372 L C 2.511 179.438 176.870 0.096 0.000 1.117 372 L CA 0.925 55.832 54.840 0.111 0.000 0.782 372 L CB -0.809 41.311 42.059 0.102 0.000 0.914 372 L HN 0.467 nan 8.230 nan 0.000 0.441 373 A N 0.260 123.119 122.820 0.064 0.000 1.903 373 A HA -0.082 4.239 4.320 0.001 0.000 0.213 373 A C 2.309 179.927 177.584 0.057 0.000 1.185 373 A CA 0.834 52.903 52.037 0.053 0.000 0.628 373 A CB -0.155 18.867 19.000 0.037 0.000 0.830 373 A HN 0.318 nan 8.150 nan 0.000 0.446 374 R N -1.876 118.658 120.500 0.057 0.000 2.223 374 R HA 0.146 4.486 4.340 0.001 0.000 0.198 374 R C -0.070 176.285 176.300 0.091 0.000 0.984 374 R CA 0.716 56.850 56.100 0.058 0.000 1.018 374 R CB 0.102 30.424 30.300 0.037 0.000 0.945 374 R HN 0.432 nan 8.270 nan 0.000 0.479 375 C N 0.741 120.124 119.300 0.138 0.000 2.955 375 C HA 0.319 4.780 4.460 0.001 0.000 0.229 375 C C -1.862 173.314 174.990 0.311 0.000 1.842 375 C CA -1.236 57.912 59.018 0.217 0.000 1.539 375 C CB 0.695 28.629 27.740 0.324 0.000 2.869 375 C HN 0.172 nan 8.230 nan 0.000 0.503 376 P HA -0.169 nan 4.420 nan 0.000 0.219 376 P C 0.696 178.102 177.300 0.177 0.000 1.145 376 P CA 1.865 65.083 63.100 0.198 0.000 0.813 376 P CB 0.018 31.783 31.700 0.109 0.000 0.771 377 D N -1.586 118.903 120.400 0.149 0.000 2.804 377 D HA 0.015 4.656 4.640 0.001 0.000 0.308 377 D C 0.134 176.421 176.300 -0.021 0.000 1.371 377 D CA -0.888 53.121 54.000 0.015 0.000 0.823 377 D CB -1.001 39.795 40.800 -0.006 0.000 1.126 377 D HN 0.097 nan 8.370 nan 0.000 0.467 378 F N 0.744 120.718 119.950 0.040 0.000 2.535 378 F HA 0.560 5.088 4.527 0.001 0.000 0.332 378 F C 0.186 176.001 175.800 0.024 0.000 1.208 378 F CA -0.467 57.508 58.000 -0.042 0.000 1.330 378 F CB 0.435 39.554 39.000 0.199 0.000 1.167 378 F HN -0.160 nan 8.300 nan 0.000 0.597 379 E N 0.248 120.427 120.200 -0.035 0.000 2.367 379 E HA 0.628 4.979 4.350 0.001 0.000 0.273 379 E C -1.644 174.905 176.600 -0.084 0.000 0.903 379 E CA -1.172 55.194 56.400 -0.057 0.000 0.764 379 E CB 2.874 32.541 29.700 -0.055 0.000 1.252 379 E HN 0.494 nan 8.360 nan 0.000 0.446 380 V N 1.129 120.733 119.914 -0.517 0.000 2.531 380 V HA 0.433 4.554 4.120 0.001 0.000 0.301 380 V C -0.361 175.483 176.094 -0.416 0.000 1.034 380 V CA -0.772 61.314 62.300 -0.357 0.000 0.865 380 V CB 1.608 33.307 31.823 -0.206 0.000 0.995 380 V HN 0.809 nan 8.190 nan 0.000 0.424 381 A N 3.078 125.802 122.820 -0.160 0.000 3.004 381 A HA 0.317 4.638 4.320 0.001 0.000 0.286 381 A C 1.196 178.752 177.584 -0.047 0.000 1.632 381 A CA -0.222 51.763 52.037 -0.088 0.000 1.339 381 A CB -0.513 18.457 19.000 -0.049 0.000 1.136 381 A HN 0.947 nan 8.150 nan 0.000 0.577 382 E N 0.940 121.122 120.200 -0.029 0.000 2.068 382 E HA -0.286 4.065 4.350 0.001 0.000 0.207 382 E C 2.291 178.923 176.600 0.055 0.000 1.032 382 E CA 2.106 58.533 56.400 0.045 0.000 0.839 382 E CB -0.174 29.598 29.700 0.119 0.000 0.758 382 E HN 0.925 nan 8.360 nan 0.000 0.457 383 S N 0.824 116.556 115.700 0.053 0.000 2.423 383 S HA -0.205 4.265 4.470 0.001 0.000 0.238 383 S C 1.568 176.188 174.600 0.032 0.000 1.028 383 S CA 1.214 59.445 58.200 0.051 0.000 1.000 383 S CB -0.429 62.795 63.200 0.039 0.000 0.797 383 S HN 0.232 nan 8.310 nan 0.000 0.487 384 R N 0.411 120.915 120.500 0.007 0.000 2.515 384 R HA 0.457 4.798 4.340 0.001 0.000 0.294 384 R C -0.317 175.956 176.300 -0.046 0.000 1.021 384 R CA -0.148 55.945 56.100 -0.012 0.000 1.081 384 R CB -0.094 30.196 30.300 -0.016 0.000 1.263 384 R HN 0.439 nan 8.270 nan 0.000 0.557 385 I N 1.600 122.132 120.570 -0.063 0.000 2.428 385 I HA 0.130 4.301 4.170 0.001 0.000 0.289 385 I C 0.038 176.004 176.117 -0.251 0.000 1.019 385 I CA -0.673 60.509 61.300 -0.197 0.000 1.351 385 I CB 1.658 39.499 38.000 -0.264 0.000 1.412 385 I HN -0.210 nan 8.210 nan 0.000 0.513 386 V N 5.404 125.116 119.914 -0.336 0.000 2.459 386 V HA 0.321 4.441 4.120 0.001 0.000 0.295 386 V C -0.892 174.984 176.094 -0.364 0.000 1.029 386 V CA -0.678 61.489 62.300 -0.222 0.000 0.874 386 V CB 1.347 33.115 31.823 -0.092 0.000 0.985 386 V HN 0.589 nan 8.190 nan 0.000 0.438 387 W N 1.960 123.295 121.300 0.059 0.000 2.551 387 W HA 0.626 5.287 4.660 0.001 0.000 0.330 387 W C 0.826 177.409 176.519 0.107 0.000 1.063 387 W CA -0.272 57.121 57.345 0.079 0.000 1.222 387 W CB 1.682 31.229 29.460 0.145 0.000 1.349 387 W HN 0.572 nan 8.180 nan 0.000 0.536 388 S N 1.419 117.322 115.700 0.339 0.000 2.589 388 S HA 0.524 4.995 4.470 0.001 0.000 0.265 388 S C 0.654 175.448 174.600 0.324 0.000 1.342 388 S CA 0.034 58.380 58.200 0.244 0.000 1.005 388 S CB 0.191 63.492 63.200 0.168 0.000 0.909 388 S HN 0.628 nan 8.310 nan 0.000 0.555 389 G N 0.157 109.083 108.800 0.210 0.000 2.563 389 G HA2 0.577 4.538 3.960 0.001 0.000 0.283 389 G HA3 0.577 4.538 3.960 0.001 0.000 0.283 389 G C 0.368 175.378 174.900 0.183 0.000 1.309 389 G CA -0.106 45.090 45.100 0.161 0.000 1.022 389 G HN 1.656 nan 8.290 nan 0.000 0.501 390 G N -2.386 106.446 108.800 0.052 0.000 2.697 390 G HA2 0.138 4.099 3.960 0.001 0.000 0.686 390 G HA3 0.138 4.099 3.960 0.001 0.000 0.686 390 G C 0.328 175.242 174.900 0.025 0.000 1.179 390 G CA 0.216 45.340 45.100 0.041 0.000 0.765 390 G HN 1.142 nan 8.290 nan 0.000 0.649 391 S N 0.247 115.802 115.700 -0.240 0.000 2.524 391 S HA 0.252 4.723 4.470 0.001 0.000 0.215 391 S C 1.228 175.581 174.600 -0.413 0.000 0.986 391 S CA 0.966 58.859 58.200 -0.511 0.000 0.911 391 S CB 0.056 62.780 63.200 -0.793 0.000 0.805 391 S HN 0.556 nan 8.310 nan 0.000 0.501 392 Y N 0.476 120.961 120.300 0.307 0.000 2.539 392 Y HA 0.365 4.915 4.550 0.001 0.000 0.284 392 Y C 0.701 176.758 175.900 0.262 0.000 1.134 392 Y CA -0.290 57.973 58.100 0.270 0.000 1.251 392 Y CB 0.103 38.638 38.460 0.125 0.000 1.260 392 Y HN -0.070 nan 8.280 nan 0.000 0.528 393 V N 2.380 122.482 119.914 0.313 0.000 2.347 393 V HA 0.346 4.466 4.120 0.001 0.000 0.280 393 V C -0.124 175.883 176.094 -0.145 0.000 1.021 393 V CA -1.043 61.315 62.300 0.097 0.000 0.847 393 V CB 1.382 33.262 31.823 0.095 0.000 0.990 393 V HN 0.114 nan 8.190 nan 0.000 0.444 394 R N 5.913 126.103 120.500 -0.516 0.000 2.296 394 R HA 0.501 4.841 4.340 0.001 0.000 0.327 394 R C -0.005 176.073 176.300 -0.369 0.000 1.137 394 R CA -0.481 54.977 56.100 -1.071 0.000 1.020 394 R CB 0.234 29.619 30.300 -1.525 0.000 1.110 394 R HN 0.894 nan 8.270 nan 0.000 0.499 395 R N 3.225 123.649 120.500 -0.126 0.000 2.795 395 R HA 0.640 4.980 4.340 0.001 0.000 0.275 395 R C -2.902 173.526 176.300 0.214 0.000 0.981 395 R CA -2.158 53.996 56.100 0.091 0.000 0.917 395 R CB 2.103 32.419 30.300 0.027 0.000 1.202 395 R HN 0.258 nan 8.270 nan 0.000 0.469 396 P HA 0.200 nan 4.420 nan 0.000 0.292 396 P C -0.147 177.050 177.300 -0.171 0.000 1.283 396 P CA -0.729 62.142 63.100 -0.382 0.000 0.835 396 P CB 1.747 32.999 31.700 -0.747 0.000 1.017 397 L N 0.946 122.076 121.223 -0.155 0.000 2.202 397 L HA 0.120 4.461 4.340 0.001 0.000 0.205 397 L C 1.353 178.166 176.870 -0.095 0.000 1.083 397 L CA 1.117 55.915 54.840 -0.071 0.000 0.790 397 L CB -0.071 41.972 42.059 -0.027 0.000 0.942 397 L HN 0.435 nan 8.230 nan 0.000 0.452 398 S N -0.623 114.981 115.700 -0.160 0.000 2.547 398 S HA 0.601 5.072 4.470 0.001 0.000 0.281 398 S C -1.019 173.472 174.600 -0.182 0.000 1.118 398 S CA -0.498 57.621 58.200 -0.135 0.000 0.947 398 S CB 1.985 65.126 63.200 -0.098 0.000 1.053 398 S HN -0.170 nan 8.310 nan 0.000 0.482 399 V N 6.316 126.157 119.914 -0.122 0.000 2.439 399 V HA 0.388 4.508 4.120 0.001 0.000 0.277 399 V C -2.596 173.485 176.094 -0.021 0.000 1.008 399 V CA -1.707 60.536 62.300 -0.094 0.000 0.846 399 V CB 1.581 33.364 31.823 -0.067 0.000 1.031 399 V HN 0.718 nan 8.190 nan 0.000 0.441 400 P HA 0.047 nan 4.420 nan 0.000 0.258 400 P C -0.735 176.619 177.300 0.091 0.000 1.214 400 P CA 0.478 63.588 63.100 0.017 0.000 0.872 400 P CB -0.109 31.580 31.700 -0.018 0.000 0.890 401 F N 4.553 124.463 119.950 -0.066 0.000 2.440 401 F HA 0.689 5.217 4.527 0.001 0.000 0.328 401 F C 0.253 176.041 175.800 -0.020 0.000 1.070 401 F CA -1.057 56.922 58.000 -0.036 0.000 1.011 401 F CB 1.490 40.439 39.000 -0.085 0.000 1.226 401 F HN 0.090 nan 8.300 nan 0.000 0.491 402 R N 4.006 123.983 120.500 -0.872 0.000 3.072 402 R HA 0.344 4.685 4.340 0.001 0.000 0.293 402 R C -2.288 173.616 176.300 -0.659 0.000 1.210 402 R CA -0.464 55.263 56.100 -0.622 0.000 1.121 402 R CB 0.759 30.901 30.300 -0.263 0.000 1.286 402 R HN 0.546 nan 8.270 nan 0.000 0.393 403 V N 3.236 122.784 119.914 -0.611 0.000 2.446 403 V HA 0.109 4.230 4.120 0.001 0.000 0.276 403 V C 1.048 177.046 176.094 -0.159 0.000 1.030 403 V CA -0.010 62.110 62.300 -0.299 0.000 1.033 403 V CB 1.171 32.911 31.823 -0.138 0.000 0.993 403 V HN 0.748 nan 8.190 nan 0.000 0.477 404 T N 3.583 118.073 114.554 -0.107 0.000 3.722 404 T HA 0.084 4.435 4.350 0.001 0.000 0.247 404 T C 0.543 175.215 174.700 -0.046 0.000 1.004 404 T CA 0.582 62.638 62.100 -0.073 0.000 0.947 404 T CB -0.460 68.372 68.868 -0.059 0.000 1.114 404 T HN 0.672 nan 8.240 nan 0.000 0.633 405 S N -0.018 115.656 115.700 -0.044 0.000 2.592 405 S HA 0.535 5.006 4.470 0.001 0.000 0.275 405 S C -0.330 174.254 174.600 -0.028 0.000 1.169 405 S CA -0.715 57.471 58.200 -0.024 0.000 0.958 405 S CB 2.153 65.351 63.200 -0.004 0.000 1.095 405 S HN 0.276 nan 8.310 nan 0.000 0.471 406 S N 1.721 117.407 115.700 -0.023 0.000 2.776 406 S HA 0.854 5.325 4.470 0.001 0.000 0.306 406 S C 0.008 174.601 174.600 -0.012 0.000 1.114 406 S CA -0.427 57.760 58.200 -0.022 0.000 0.973 406 S CB 0.968 64.153 63.200 -0.026 0.000 1.250 406 S HN 0.912 nan 8.310 nan 0.000 0.549 407 R N 0.000 120.493 120.500 -0.012 0.000 2.786 407 R HA 0.000 4.341 4.340 0.001 0.000 0.208 407 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 407 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535