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 1ohf_1_B DATA FIRST_RESID 44 DATA SEQUENCE DNVTAAAQEL GQSLDANVIT FPTNVATMPE FRSWARGKLD IDQDSIGWYF DATA SEQUENCE KYLDPAGATE SARAVGEYSK IPDGLVKFSV DAEIREIYNE ECPTVSDASI DATA SEQUENCE PLDGAQWSLS IISYPMFRTA YFAVANVDNK EISLDVTNDL IVWLNNLASW DATA SEQUENCE RDVVDSGQWF TFSDDPTWFV RIRVLHPTYD LPDPTEGLLR TVSDYRLTYK DATA SEQUENCE SITCEANMPT LVDQGFWIGG HYALTPIATT QNAVEGSGFV HPFNVTRPGI DATA SEQUENCE AAGVTLTWAS MPPGGSAPSG DPAWIPDSTT QFQWRHGGFD APTGVITYTI DATA SEQUENCE PRGYTMQYFD TTTNEWNGFA NPDDVVTFGQ TGGAAGTNAT ITITAPTVTL DATA SEQUENCE TILATTTSAA NVINFRNLDA ETTAASNRSE VPLPPLTFGQ TAPNNPKIEQ DATA SEQUENCE TLVKDTLGSY LVHSKMRNPV FQLTPASSFG AISFTNPGFD RNLDLPGFGG DATA SEQUENCE IRDSLDVNMS TAVCHFRSLS KSCSIVTKTY QGWEGVTNVN TPFGQFAHSG DATA SEQUENCE LLKNDEILCL ADDLATRLTG VYGATDNFAA AVLAFAANML TSVLKSE 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 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.308 176.300 0.013 0.000 2.045 44 D CA 0.000 54.007 54.000 0.011 0.000 0.868 44 D CB 0.000 40.805 40.800 0.009 0.000 0.688 45 N N 0.036 118.743 118.700 0.012 0.000 2.416 45 N HA 0.002 4.742 4.740 0.000 0.000 0.177 45 N C 1.856 177.374 175.510 0.014 0.000 1.036 45 N CA 0.629 53.687 53.050 0.013 0.000 0.901 45 N CB 0.982 39.476 38.487 0.012 0.000 0.976 45 N HN 0.001 nan 8.380 nan 0.000 0.444 46 V N 1.456 121.377 119.914 0.012 0.000 2.233 46 V HA -0.273 3.847 4.120 0.000 0.000 0.247 46 V C 2.661 178.763 176.094 0.014 0.000 1.050 46 V CA 2.331 64.638 62.300 0.012 0.000 1.010 46 V CB -1.178 30.651 31.823 0.010 0.000 0.637 46 V HN 0.523 nan 8.190 nan 0.000 0.444 47 T N -0.490 114.073 114.554 0.015 0.000 2.699 47 T HA -0.235 4.115 4.350 0.000 0.000 0.268 47 T C 1.920 176.634 174.700 0.023 0.000 1.036 47 T CA 1.687 63.798 62.100 0.019 0.000 1.147 47 T CB -0.686 68.194 68.868 0.020 0.000 0.862 47 T HN 0.525 nan 8.240 nan 0.000 0.446 48 A N 2.509 125.342 122.820 0.023 0.000 1.834 48 A HA 0.210 4.530 4.320 0.000 0.000 0.216 48 A C 2.891 180.491 177.584 0.027 0.000 1.203 48 A CA 2.372 54.425 52.037 0.028 0.000 0.621 48 A CB -1.589 17.426 19.000 0.025 0.000 0.841 48 A HN 0.813 nan 8.150 nan 0.000 0.446 49 A N -0.606 122.226 122.820 0.021 0.000 2.070 49 A HA 0.186 4.506 4.320 0.000 0.000 0.220 49 A C 2.406 180.001 177.584 0.017 0.000 1.159 49 A CA 2.009 54.057 52.037 0.019 0.000 0.656 49 A CB -0.915 18.095 19.000 0.015 0.000 0.800 49 A HN 1.103 nan 8.150 nan 0.000 0.453 50 A N -0.407 122.423 122.820 0.017 0.000 1.858 50 A HA -0.229 4.091 4.320 0.000 0.000 0.216 50 A C 2.134 179.727 177.584 0.015 0.000 1.190 50 A CA 1.677 53.723 52.037 0.014 0.000 0.617 50 A CB -0.574 18.435 19.000 0.015 0.000 0.827 50 A HN 0.642 nan 8.150 nan 0.000 0.443 51 Q N -1.142 118.671 119.800 0.022 0.000 2.123 51 Q HA -0.134 4.206 4.340 0.000 0.000 0.199 51 Q C 2.085 178.100 176.000 0.025 0.000 0.966 51 Q CA 1.003 56.821 55.803 0.025 0.000 0.845 51 Q CB -0.163 28.598 28.738 0.039 0.000 0.907 51 Q HN 0.582 nan 8.270 nan 0.000 0.439 52 E N 1.026 121.243 120.200 0.028 0.000 2.070 52 E HA -0.203 4.147 4.350 0.000 0.000 0.197 52 E C 1.957 178.567 176.600 0.017 0.000 1.004 52 E CA 1.015 57.431 56.400 0.027 0.000 0.805 52 E CB -0.110 29.606 29.700 0.027 0.000 0.744 52 E HN 0.193 nan 8.360 nan 0.000 0.451 53 L N 0.075 121.305 121.223 0.013 0.000 2.046 53 L HA -0.068 4.272 4.340 0.000 0.000 0.208 53 L C 2.307 179.178 176.870 0.001 0.000 1.077 53 L CA 2.123 56.967 54.840 0.007 0.000 0.747 53 L CB -0.927 41.136 42.059 0.007 0.000 0.896 53 L HN 0.193 nan 8.230 nan 0.000 0.432 54 G N -2.007 106.794 108.800 0.001 0.000 2.422 54 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 54 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 54 G C 1.414 176.303 174.900 -0.017 0.000 1.140 54 G CA 0.354 45.449 45.100 -0.008 0.000 0.775 54 G HN 0.482 nan 8.290 nan 0.000 0.545 55 Q N 0.480 120.273 119.800 -0.012 0.000 2.364 55 Q HA -0.042 4.298 4.340 0.000 0.000 0.209 55 Q C 1.017 176.998 176.000 -0.032 0.000 0.977 55 Q CA 1.046 56.834 55.803 -0.026 0.000 0.885 55 Q CB 0.016 28.752 28.738 -0.003 0.000 0.941 55 Q HN 0.547 nan 8.270 nan 0.000 0.464 56 S N -0.582 115.106 115.700 -0.019 0.000 2.222 56 S HA 0.388 4.858 4.470 0.000 0.000 0.173 56 S C 0.377 174.967 174.600 -0.018 0.000 1.466 56 S CA -0.470 57.720 58.200 -0.017 0.000 1.184 56 S CB 0.140 63.336 63.200 -0.006 0.000 1.168 56 S HN 0.188 nan 8.310 nan 0.000 0.475 57 L N 0.185 121.393 121.223 -0.025 0.000 2.731 57 L HA 0.423 4.763 4.340 0.000 0.000 0.240 57 L C -0.395 176.463 176.870 -0.021 0.000 1.120 57 L CA 0.139 54.967 54.840 -0.021 0.000 0.913 57 L CB 0.265 42.310 42.059 -0.023 0.000 1.213 57 L HN 0.414 nan 8.230 nan 0.000 0.515 58 D N 1.544 121.929 120.400 -0.025 0.000 2.469 58 D HA 0.332 4.972 4.640 0.000 0.000 0.251 58 D C -0.072 176.218 176.300 -0.018 0.000 1.173 58 D CA -0.101 53.887 54.000 -0.022 0.000 0.882 58 D CB 2.253 43.037 40.800 -0.026 0.000 1.129 58 D HN -0.033 nan 8.370 nan 0.000 0.549 59 A N 3.336 126.148 122.820 -0.013 0.000 2.598 59 A HA -0.112 4.208 4.320 0.000 0.000 0.239 59 A C 0.658 178.236 177.584 -0.010 0.000 1.032 59 A CA 0.299 52.330 52.037 -0.010 0.000 0.760 59 A CB -0.059 18.936 19.000 -0.008 0.000 0.946 59 A HN 0.470 nan 8.150 nan 0.000 0.512 60 N N 2.396 121.091 118.700 -0.008 0.000 2.406 60 N HA 0.145 4.885 4.740 0.000 0.000 0.265 60 N C 0.620 176.126 175.510 -0.007 0.000 1.203 60 N CA 0.035 53.081 53.050 -0.006 0.000 0.945 60 N CB 1.216 39.701 38.487 -0.003 0.000 1.165 60 N HN 0.430 nan 8.380 nan 0.000 0.485 61 V N 2.914 122.824 119.914 -0.007 0.000 3.635 61 V HA 0.137 4.257 4.120 0.000 0.000 0.266 61 V C 0.983 177.070 176.094 -0.013 0.000 1.316 61 V CA 0.444 62.738 62.300 -0.009 0.000 1.060 61 V CB -0.096 31.722 31.823 -0.007 0.000 0.820 61 V HN 0.561 nan 8.190 nan 0.000 0.447 62 I N -4.071 116.494 120.570 -0.009 0.000 3.436 62 I HA 0.468 4.638 4.170 0.000 0.000 0.296 62 I C 1.456 177.542 176.117 -0.051 0.000 1.143 62 I CA -0.460 60.829 61.300 -0.019 0.000 1.009 62 I CB 1.085 39.091 38.000 0.010 0.000 1.301 62 I HN -0.222 nan 8.210 nan 0.000 0.503 63 T N 0.836 115.319 114.554 -0.118 0.000 2.622 63 T HA 0.019 4.369 4.350 0.000 0.000 0.266 63 T C 0.444 174.991 174.700 -0.256 0.000 1.047 63 T CA 1.567 63.513 62.100 -0.258 0.000 1.159 63 T CB -0.434 68.148 68.868 -0.477 0.000 0.863 63 T HN 0.339 nan 8.240 nan 0.000 0.422 64 F N 1.484 121.427 119.950 -0.011 0.000 2.389 64 F HA 0.322 4.849 4.527 0.000 0.000 0.337 64 F C -1.989 173.796 175.800 -0.024 0.000 1.112 64 F CA -2.785 55.206 58.000 -0.014 0.000 1.192 64 F CB 0.034 39.026 39.000 -0.015 0.000 1.185 64 F HN -0.077 nan 8.300 nan 0.000 0.552 65 P HA -0.029 nan 4.420 nan 0.000 0.264 65 P C 0.425 177.740 177.300 0.026 0.000 1.183 65 P CA 0.418 63.560 63.100 0.069 0.000 0.763 65 P CB 0.559 32.284 31.700 0.042 0.000 0.807 66 T N -1.781 112.769 114.554 -0.006 0.000 3.001 66 T HA 0.180 4.530 4.350 0.000 0.000 0.251 66 T C 0.539 175.197 174.700 -0.069 0.000 1.040 66 T CA 0.120 62.201 62.100 -0.030 0.000 0.985 66 T CB -0.265 68.594 68.868 -0.016 0.000 1.011 66 T HN 0.253 nan 8.240 nan 0.000 0.509 67 N N -0.554 118.101 118.700 -0.075 0.000 2.813 67 N HA 0.653 5.393 4.740 0.000 0.000 0.320 67 N C -0.318 175.091 175.510 -0.167 0.000 1.315 67 N CA -0.838 52.151 53.050 -0.101 0.000 0.871 67 N CB 2.194 40.644 38.487 -0.060 0.000 1.241 67 N HN -0.121 nan 8.380 nan 0.000 0.602 68 V N -0.216 119.595 119.914 -0.171 0.000 3.400 68 V HA 0.202 4.322 4.120 0.000 0.000 0.281 68 V C 1.270 177.330 176.094 -0.057 0.000 1.617 68 V CA 0.330 62.486 62.300 -0.241 0.000 1.044 68 V CB 0.322 31.869 31.823 -0.460 0.000 0.858 68 V HN 0.767 nan 8.190 nan 0.000 0.425 69 A N 0.766 123.565 122.820 -0.036 0.000 1.997 69 A HA -0.223 4.097 4.320 0.000 0.000 0.221 69 A C 1.870 179.474 177.584 0.034 0.000 1.172 69 A CA 2.662 54.703 52.037 0.007 0.000 0.645 69 A CB -0.537 18.461 19.000 -0.002 0.000 0.813 69 A HN 0.706 nan 8.150 nan 0.000 0.454 70 T N -3.836 110.738 114.554 0.032 0.000 3.248 70 T HA 0.616 4.966 4.350 0.000 0.000 0.271 70 T C 0.114 174.863 174.700 0.082 0.000 1.005 70 T CA -0.255 61.876 62.100 0.051 0.000 0.902 70 T CB -0.267 68.624 68.868 0.038 0.000 1.102 70 T HN 0.259 nan 8.240 nan 0.000 0.548 71 M N 1.798 121.471 119.600 0.122 0.000 2.065 71 M HA 0.344 4.824 4.480 0.000 0.000 0.308 71 M C -2.223 174.238 176.300 0.268 0.000 0.939 71 M CA -2.250 53.176 55.300 0.209 0.000 0.890 71 M CB 1.872 34.636 32.600 0.272 0.000 1.383 71 M HN -0.148 nan 8.290 nan 0.000 0.381 72 P HA -0.313 nan 4.420 nan 0.000 0.222 72 P C 1.307 178.686 177.300 0.132 0.000 1.157 72 P CA 1.745 64.924 63.100 0.132 0.000 0.905 72 P CB -0.058 31.695 31.700 0.089 0.000 0.792 73 E N -0.678 119.580 120.200 0.095 0.000 2.219 73 E HA -0.210 4.140 4.350 0.000 0.000 0.198 73 E C 1.578 178.159 176.600 -0.033 0.000 0.998 73 E CA 1.438 57.826 56.400 -0.021 0.000 0.818 73 E CB -1.250 28.370 29.700 -0.132 0.000 0.741 73 E HN 0.313 nan 8.360 nan 0.000 0.477 74 F N 0.990 121.046 119.950 0.177 0.000 2.615 74 F HA 0.186 4.713 4.527 0.000 0.000 0.297 74 F C 2.710 178.609 175.800 0.165 0.000 1.124 74 F CA 0.403 58.513 58.000 0.184 0.000 1.451 74 F CB -0.181 38.833 39.000 0.023 0.000 1.103 74 F HN -0.057 nan 8.300 nan 0.000 0.569 75 R N 0.882 121.534 120.500 0.254 0.000 2.096 75 R HA -0.189 4.151 4.340 0.000 0.000 0.229 75 R C 2.471 178.864 176.300 0.155 0.000 1.134 75 R CA 2.234 58.436 56.100 0.169 0.000 0.917 75 R CB -0.585 29.785 30.300 0.117 0.000 0.832 75 R HN 0.263 nan 8.270 nan 0.000 0.430 76 S N -0.283 115.487 115.700 0.117 0.000 2.515 76 S HA -0.097 4.373 4.470 0.000 0.000 0.231 76 S C 0.510 175.167 174.600 0.096 0.000 0.987 76 S CA -0.141 58.104 58.200 0.075 0.000 0.936 76 S CB -0.354 62.854 63.200 0.015 0.000 0.766 76 S HN 0.438 nan 8.310 nan 0.000 0.528 77 W N 2.933 124.215 121.300 -0.031 0.000 2.611 77 W HA 0.327 4.987 4.660 0.000 0.000 0.346 77 W C -0.250 176.268 176.519 -0.003 0.000 1.365 77 W CA 0.275 57.591 57.345 -0.048 0.000 1.313 77 W CB -1.075 28.349 29.460 -0.061 0.000 1.351 77 W HN 0.380 nan 8.180 nan 0.000 0.576 78 A N 6.466 129.290 122.820 0.008 0.000 2.778 78 A HA 0.220 4.540 4.320 0.000 0.000 0.249 78 A C 0.496 178.055 177.584 -0.043 0.000 1.317 78 A CA -0.525 51.569 52.037 0.094 0.000 1.170 78 A CB -0.526 18.536 19.000 0.103 0.000 1.341 78 A HN 0.695 nan 8.150 nan 0.000 0.785 79 R N 0.348 120.778 120.500 -0.118 0.000 2.916 79 R HA -0.183 4.157 4.340 0.000 0.000 0.232 79 R C 1.088 177.324 176.300 -0.107 0.000 0.833 79 R CA 1.969 57.999 56.100 -0.116 0.000 0.566 79 R CB -1.323 28.966 30.300 -0.019 0.000 1.058 79 R HN 2.337 nan 8.270 nan 0.000 0.498 80 G N 0.145 108.855 108.800 -0.150 0.000 2.145 80 G HA2 -0.224 3.736 3.960 0.000 0.000 0.145 80 G HA3 -0.224 3.736 3.960 0.000 0.000 0.145 80 G C -0.289 174.555 174.900 -0.093 0.000 1.017 80 G CA -0.065 44.968 45.100 -0.111 0.000 0.682 80 G HN 0.346 nan 8.290 nan 0.000 0.504 81 K N 0.849 121.188 120.400 -0.103 0.000 2.299 81 K HA 0.463 4.783 4.320 0.000 0.000 0.268 81 K C 0.732 177.279 176.600 -0.089 0.000 1.075 81 K CA -0.735 55.508 56.287 -0.073 0.000 0.936 81 K CB 1.417 33.892 32.500 -0.042 0.000 1.228 81 K HN 0.247 nan 8.250 nan 0.000 0.454 82 L N 2.988 124.159 121.223 -0.087 0.000 2.667 82 L HA -0.134 4.206 4.340 0.000 0.000 0.278 82 L C 0.192 177.014 176.870 -0.080 0.000 1.217 82 L CA 0.477 55.257 54.840 -0.099 0.000 0.935 82 L CB -0.021 41.974 42.059 -0.107 0.000 1.193 82 L HN 0.578 nan 8.230 nan 0.000 0.493 83 D N 4.879 125.227 120.400 -0.087 0.000 2.456 83 D HA 0.230 4.870 4.640 0.000 0.000 0.219 83 D C -0.103 176.166 176.300 -0.051 0.000 1.126 83 D CA -0.535 53.429 54.000 -0.059 0.000 0.890 83 D CB 0.497 41.259 40.800 -0.063 0.000 1.025 83 D HN 0.218 nan 8.370 nan 0.000 0.511 84 I N 4.116 124.665 120.570 -0.036 0.000 2.800 84 I HA 0.032 4.202 4.170 0.000 0.000 0.309 84 I C 1.346 177.464 176.117 0.003 0.000 1.182 84 I CA 0.232 61.519 61.300 -0.022 0.000 1.794 84 I CB -0.029 37.968 38.000 -0.006 0.000 1.548 84 I HN 0.418 nan 8.210 nan 0.000 0.850 85 D N 3.119 123.521 120.400 0.004 0.000 2.084 85 D HA -0.157 4.483 4.640 0.000 0.000 0.199 85 D C 1.705 178.033 176.300 0.048 0.000 0.981 85 D CA 1.744 55.758 54.000 0.023 0.000 0.841 85 D CB 0.362 41.173 40.800 0.018 0.000 0.997 85 D HN 0.560 nan 8.370 nan 0.000 0.454 86 Q N -2.223 117.620 119.800 0.072 0.000 7.943 86 Q HA -0.129 4.211 4.340 0.000 0.000 0.369 86 Q C 0.592 176.673 176.000 0.134 0.000 0.953 86 Q CA 1.370 57.233 55.803 0.100 0.000 0.539 86 Q CB -1.422 27.364 28.738 0.080 0.000 0.156 86 Q HN 0.281 nan 8.270 nan 0.000 0.898 87 D N -0.176 120.292 120.400 0.114 0.000 2.137 87 D HA 0.043 4.683 4.640 0.000 0.000 0.202 87 D C 1.348 177.755 176.300 0.180 0.000 0.970 87 D CA 1.390 55.473 54.000 0.138 0.000 0.837 87 D CB 0.084 40.931 40.800 0.079 0.000 0.981 87 D HN 0.294 nan 8.370 nan 0.000 0.475 88 S N 1.086 116.864 115.700 0.131 0.000 2.356 88 S HA -0.096 4.374 4.470 0.000 0.000 0.223 88 S C 2.279 177.013 174.600 0.224 0.000 1.032 88 S CA 0.655 58.949 58.200 0.156 0.000 1.005 88 S CB -0.182 63.056 63.200 0.064 0.000 0.867 88 S HN 0.257 nan 8.310 nan 0.000 0.449 89 I N 1.594 122.252 120.570 0.146 0.000 2.315 89 I HA -0.100 4.070 4.170 0.000 0.000 0.248 89 I C 2.692 178.954 176.117 0.242 0.000 1.117 89 I CA 1.030 62.402 61.300 0.121 0.000 1.404 89 I CB -1.014 37.062 38.000 0.127 0.000 1.071 89 I HN 0.344 nan 8.210 nan 0.000 0.419 90 G N 0.609 109.582 108.800 0.288 0.000 2.446 90 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 90 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 90 G C 1.427 176.503 174.900 0.293 0.000 1.168 90 G CA 0.694 45.979 45.100 0.309 0.000 0.771 90 G HN 0.547 nan 8.290 nan 0.000 0.551 91 W N 0.448 121.862 121.300 0.189 0.000 2.358 91 W HA -0.076 4.584 4.660 0.000 0.000 0.303 91 W C 2.216 178.805 176.519 0.118 0.000 1.208 91 W CA 1.304 58.750 57.345 0.168 0.000 1.274 91 W CB -0.581 28.953 29.460 0.124 0.000 1.138 91 W HN 0.236 nan 8.180 nan 0.000 0.515 92 Y N 0.195 120.401 120.300 -0.156 0.000 2.040 92 Y HA -0.344 4.206 4.550 0.000 0.000 0.275 92 Y C 2.179 177.767 175.900 -0.519 0.000 1.171 92 Y CA 2.662 60.475 58.100 -0.478 0.000 1.123 92 Y CB -1.377 36.814 38.460 -0.448 0.000 0.963 92 Y HN 0.030 nan 8.280 nan 0.000 0.493 93 F N 0.089 119.862 119.950 -0.295 0.000 2.146 93 F HA -0.184 4.343 4.527 0.000 0.000 0.298 93 F C 2.420 177.928 175.800 -0.488 0.000 1.096 93 F CA 1.247 58.996 58.000 -0.419 0.000 1.275 93 F CB -0.303 38.561 39.000 -0.226 0.000 1.008 93 F HN -0.092 nan 8.300 nan 0.000 0.480 94 K N -0.180 120.029 120.400 -0.320 0.000 2.057 94 K HA -0.229 4.091 4.320 0.000 0.000 0.207 94 K C 1.957 178.144 176.600 -0.687 0.000 1.049 94 K CA 1.414 57.339 56.287 -0.603 0.000 0.931 94 K CB -1.001 31.084 32.500 -0.691 0.000 0.714 94 K HN 0.313 nan 8.250 nan 0.000 0.440 95 Y N 1.579 121.392 120.300 -0.810 0.000 2.207 95 Y HA -0.165 4.385 4.550 0.000 0.000 0.287 95 Y C 1.879 177.529 175.900 -0.416 0.000 1.156 95 Y CA 1.429 59.151 58.100 -0.630 0.000 1.182 95 Y CB -0.225 37.541 38.460 -1.157 0.000 0.979 95 Y HN -0.054 nan 8.280 nan 0.000 0.521 96 L N -0.836 120.049 121.223 -0.564 0.000 2.375 96 L HA 0.073 4.413 4.340 0.000 0.000 0.215 96 L C 0.091 176.734 176.870 -0.379 0.000 1.108 96 L CA 0.840 55.374 54.840 -0.509 0.000 0.830 96 L CB 0.159 41.943 42.059 -0.459 0.000 0.959 96 L HN 0.079 nan 8.230 nan 0.000 0.457 97 D N -1.200 118.994 120.400 -0.344 0.000 2.584 97 D HA 0.145 4.785 4.640 0.000 0.000 0.238 97 D C -2.178 173.947 176.300 -0.291 0.000 1.302 97 D CA -1.295 52.562 54.000 -0.237 0.000 0.884 97 D CB 1.303 41.983 40.800 -0.201 0.000 1.456 97 D HN -0.211 nan 8.370 nan 0.000 0.528 98 P HA -0.118 nan 4.420 nan 0.000 0.215 98 P C 1.172 178.032 177.300 -0.733 0.000 1.157 98 P CA 1.766 64.547 63.100 -0.532 0.000 0.874 98 P CB 0.439 31.958 31.700 -0.302 0.000 0.790 99 A N -0.384 122.067 122.820 -0.614 0.000 1.854 99 A HA 0.012 4.332 4.320 0.000 0.000 0.214 99 A C 2.495 179.823 177.584 -0.426 0.000 1.192 99 A CA 1.880 53.497 52.037 -0.700 0.000 0.611 99 A CB -1.859 16.893 19.000 -0.412 0.000 0.832 99 A HN 0.261 nan 8.150 nan 0.000 0.442 100 G N -0.620 107.975 108.800 -0.342 0.000 2.470 100 G HA2 0.075 4.035 3.960 0.000 0.000 0.220 100 G HA3 0.075 4.035 3.960 0.000 0.000 0.220 100 G C 1.597 176.321 174.900 -0.293 0.000 1.121 100 G CA 1.299 46.217 45.100 -0.304 0.000 0.766 100 G HN 0.762 nan 8.290 nan 0.000 0.553 101 A N 0.891 123.516 122.820 -0.326 0.000 1.908 101 A HA -0.069 4.251 4.320 0.000 0.000 0.218 101 A C 2.589 179.980 177.584 -0.323 0.000 1.181 101 A CA 2.641 54.475 52.037 -0.337 0.000 0.627 101 A CB -0.804 17.977 19.000 -0.366 0.000 0.818 101 A HN 0.423 nan 8.150 nan 0.000 0.445 102 T N -1.988 112.390 114.554 -0.293 0.000 3.035 102 T HA 0.062 4.412 4.350 0.000 0.000 0.259 102 T C 1.558 176.171 174.700 -0.146 0.000 1.078 102 T CA 0.933 62.911 62.100 -0.203 0.000 1.132 102 T CB -0.127 68.671 68.868 -0.118 0.000 0.900 102 T HN 0.598 nan 8.240 nan 0.000 0.480 103 E N 2.099 122.205 120.200 -0.158 0.000 2.153 103 E HA -0.086 4.264 4.350 0.000 0.000 0.194 103 E C 2.063 178.589 176.600 -0.123 0.000 0.988 103 E CA 1.439 57.765 56.400 -0.122 0.000 0.811 103 E CB -0.088 29.529 29.700 -0.139 0.000 0.746 103 E HN 0.688 nan 8.360 nan 0.000 0.466 104 S N -0.383 115.217 115.700 -0.167 0.000 2.605 104 S HA 0.393 4.863 4.470 0.000 0.000 0.217 104 S C 1.105 175.605 174.600 -0.167 0.000 0.958 104 S CA 0.202 58.305 58.200 -0.161 0.000 0.919 104 S CB 0.615 63.691 63.200 -0.207 0.000 0.780 104 S HN 0.276 nan 8.310 nan 0.000 0.507 105 A N 1.077 123.805 122.820 -0.153 0.000 2.832 105 A HA -0.248 4.072 4.320 0.000 0.000 0.280 105 A C 1.554 179.042 177.584 -0.160 0.000 1.464 105 A CA 1.345 53.306 52.037 -0.127 0.000 0.804 105 A CB -2.323 16.627 19.000 -0.083 0.000 1.020 105 A HN 0.657 nan 8.150 nan 0.000 0.563 106 R N -0.574 119.775 120.500 -0.252 0.000 2.156 106 R HA 0.293 4.633 4.340 0.000 0.000 0.207 106 R C 1.212 177.410 176.300 -0.170 0.000 1.040 106 R CA 0.753 56.661 56.100 -0.319 0.000 1.013 106 R CB 0.052 29.906 30.300 -0.743 0.000 0.931 106 R HN 0.954 nan 8.270 nan 0.000 0.465 107 A N 2.273 124.960 122.820 -0.222 0.000 2.484 107 A HA 0.364 4.684 4.320 0.000 0.000 0.268 107 A C 0.245 177.787 177.584 -0.071 0.000 1.114 107 A CA -0.172 51.699 52.037 -0.277 0.000 0.780 107 A CB 0.016 18.562 19.000 -0.757 0.000 1.061 107 A HN 0.112 nan 8.150 nan 0.000 0.505 108 V N 0.283 120.281 119.914 0.140 0.000 3.181 108 V HA 0.981 5.101 4.120 0.000 0.000 0.308 108 V C 0.758 177.045 176.094 0.321 0.000 1.214 108 V CA -0.196 62.242 62.300 0.229 0.000 1.053 108 V CB 0.696 32.599 31.823 0.133 0.000 1.069 108 V HN 2.602 nan 8.190 nan 0.000 0.441 109 G N 0.846 109.770 108.800 0.206 0.000 2.552 109 G HA2 -0.169 3.791 3.960 0.000 0.000 0.265 109 G HA3 -0.169 3.791 3.960 0.000 0.000 0.265 109 G C -0.189 174.751 174.900 0.067 0.000 1.234 109 G CA 0.543 45.718 45.100 0.125 0.000 0.944 109 G HN 1.123 nan 8.290 nan 0.000 0.568 110 E N 1.431 121.638 120.200 0.012 0.000 2.167 110 E HA 0.338 4.688 4.350 0.000 0.000 0.247 110 E C 0.449 177.050 176.600 0.003 0.000 0.961 110 E CA -0.333 55.994 56.400 -0.121 0.000 0.797 110 E CB 0.180 29.811 29.700 -0.114 0.000 1.182 110 E HN 0.607 nan 8.360 nan 0.000 0.437 111 Y N -0.404 119.977 120.300 0.133 0.000 2.477 111 Y HA 0.219 4.769 4.550 0.000 0.000 0.303 111 Y C 1.064 177.190 175.900 0.376 0.000 1.202 111 Y CA -0.391 57.851 58.100 0.238 0.000 1.282 111 Y CB 0.172 38.754 38.460 0.204 0.000 1.071 111 Y HN 0.022 nan 8.280 nan 0.000 0.510 112 S N -0.451 115.390 115.700 0.235 0.000 2.578 112 S HA 0.212 4.682 4.470 0.000 0.000 0.231 112 S C 0.293 174.923 174.600 0.049 0.000 0.994 112 S CA -0.478 57.863 58.200 0.235 0.000 0.956 112 S CB 0.122 63.297 63.200 -0.042 0.000 0.870 112 S HN 0.311 nan 8.310 nan 0.000 0.494 113 K N 1.229 121.625 120.400 -0.006 0.000 2.156 113 K HA 0.525 4.845 4.320 0.000 0.000 0.250 113 K C -0.764 175.593 176.600 -0.404 0.000 0.955 113 K CA -0.509 55.680 56.287 -0.163 0.000 0.855 113 K CB 1.569 33.996 32.500 -0.121 0.000 1.101 113 K HN 0.103 nan 8.250 nan 0.000 0.434 114 I N 3.296 123.512 120.570 -0.589 0.000 2.365 114 I HA 0.165 4.335 4.170 0.000 0.000 0.291 114 I C -1.946 173.801 176.117 -0.617 0.000 1.004 114 I CA -2.370 58.318 61.300 -1.020 0.000 1.311 114 I CB 1.420 38.779 38.000 -1.068 0.000 1.401 114 I HN 0.284 nan 8.210 nan 0.000 0.491 115 P HA 0.064 nan 4.420 nan 0.000 0.228 115 P C -0.479 176.679 177.300 -0.237 0.000 1.748 115 P CA 0.020 62.940 63.100 -0.300 0.000 0.909 115 P CB -0.354 31.229 31.700 -0.195 0.000 1.882 116 D N -1.576 118.690 120.400 -0.224 0.000 2.433 116 D HA 0.147 4.787 4.640 0.000 0.000 0.211 116 D C 1.281 177.525 176.300 -0.093 0.000 1.114 116 D CA -0.268 53.649 54.000 -0.139 0.000 0.837 116 D CB -0.675 40.060 40.800 -0.108 0.000 0.984 116 D HN 0.107 nan 8.370 nan 0.000 0.505 117 G N 1.090 109.834 108.800 -0.092 0.000 2.295 117 G HA2 -0.298 3.662 3.960 0.000 0.000 0.287 117 G HA3 -0.298 3.662 3.960 0.000 0.000 0.287 117 G C 0.529 175.402 174.900 -0.046 0.000 1.055 117 G CA 0.667 45.734 45.100 -0.055 0.000 0.922 117 G HN 0.424 nan 8.290 nan 0.000 0.503 118 L N -0.258 120.928 121.223 -0.062 0.000 2.168 118 L HA 0.493 4.833 4.340 0.000 0.000 0.203 118 L C 1.540 178.372 176.870 -0.064 0.000 1.078 118 L CA 1.758 56.565 54.840 -0.056 0.000 0.780 118 L CB 0.290 42.312 42.059 -0.060 0.000 0.939 118 L HN 0.771 nan 8.230 nan 0.000 0.451 119 V N -3.078 116.787 119.914 -0.082 0.000 2.581 119 V HA 0.411 4.531 4.120 0.000 0.000 0.303 119 V C 1.025 177.073 176.094 -0.077 0.000 1.041 119 V CA -0.815 61.414 62.300 -0.119 0.000 0.907 119 V CB 1.436 33.147 31.823 -0.187 0.000 0.994 119 V HN 0.237 nan 8.190 nan 0.000 0.442 120 K N 2.672 123.032 120.400 -0.067 0.000 2.097 120 K HA 0.119 4.439 4.320 0.000 0.000 0.206 120 K C 0.167 176.870 176.600 0.172 0.000 1.049 120 K CA 1.958 58.289 56.287 0.074 0.000 0.933 120 K CB -0.060 32.543 32.500 0.172 0.000 0.717 120 K HN 0.831 nan 8.250 nan 0.000 0.442 121 F N -1.495 118.476 119.950 0.035 0.000 2.645 121 F HA 0.554 5.081 4.527 0.000 0.000 0.310 121 F C -0.906 174.923 175.800 0.049 0.000 1.102 121 F CA -1.209 56.817 58.000 0.042 0.000 0.952 121 F CB 1.564 40.585 39.000 0.035 0.000 1.326 121 F HN -0.148 nan 8.300 nan 0.000 0.456 122 S N 1.194 117.004 115.700 0.182 0.000 2.595 122 S HA 0.727 5.197 4.470 0.000 0.000 0.270 122 S C -2.482 172.220 174.600 0.170 0.000 1.145 122 S CA -0.783 57.472 58.200 0.092 0.000 0.825 122 S CB 1.432 64.623 63.200 -0.015 0.000 1.107 122 S HN 1.248 nan 8.310 nan 0.000 0.461 123 V N 2.199 122.194 119.914 0.136 0.000 2.555 123 V HA 0.745 4.865 4.120 0.000 0.000 0.302 123 V C -1.559 174.435 176.094 -0.165 0.000 1.038 123 V CA -0.191 62.153 62.300 0.073 0.000 0.887 123 V CB 1.573 33.507 31.823 0.185 0.000 0.991 123 V HN 1.112 nan 8.190 nan 0.000 0.434 124 D N 5.026 125.252 120.400 -0.290 0.000 2.601 124 D HA 0.833 5.473 4.640 0.000 0.000 0.230 124 D C -0.754 175.150 176.300 -0.659 0.000 1.106 124 D CA -0.479 53.223 54.000 -0.497 0.000 0.873 124 D CB 2.451 43.083 40.800 -0.280 0.000 1.515 124 D HN 0.803 nan 8.370 nan 0.000 0.468 125 A N 0.628 122.918 122.820 -0.884 0.000 2.581 125 A HA 0.651 4.971 4.320 0.000 0.000 0.290 125 A C -1.543 175.772 177.584 -0.449 0.000 1.119 125 A CA -0.818 50.801 52.037 -0.697 0.000 0.670 125 A CB 1.880 20.389 19.000 -0.818 0.000 1.280 125 A HN 0.603 nan 8.150 nan 0.000 0.425 126 E N 0.802 120.887 120.200 -0.192 0.000 2.244 126 E HA 0.558 4.908 4.350 0.000 0.000 0.260 126 E C -1.540 175.093 176.600 0.055 0.000 0.884 126 E CA -0.380 56.036 56.400 0.027 0.000 0.777 126 E CB 1.087 30.932 29.700 0.241 0.000 1.197 126 E HN 0.556 nan 8.360 nan 0.000 0.416 127 I N 3.844 124.476 120.570 0.103 0.000 2.396 127 I HA 0.391 4.561 4.170 0.000 0.000 0.292 127 I C 0.086 176.208 176.117 0.008 0.000 0.999 127 I CA -0.526 60.812 61.300 0.064 0.000 1.310 127 I CB 1.223 39.275 38.000 0.087 0.000 1.404 127 I HN 0.333 nan 8.210 nan 0.000 0.496 128 R N 5.197 125.653 120.500 -0.074 0.000 2.476 128 R HA 0.465 4.805 4.340 0.000 0.000 0.305 128 R C -1.204 174.999 176.300 -0.162 0.000 0.965 128 R CA -0.688 55.285 56.100 -0.213 0.000 0.867 128 R CB 1.971 32.097 30.300 -0.290 0.000 1.176 128 R HN 0.479 nan 8.270 nan 0.000 0.447 129 E N 4.171 124.277 120.200 -0.156 0.000 2.260 129 E HA 0.309 4.659 4.350 0.000 0.000 0.266 129 E C -0.621 175.829 176.600 -0.249 0.000 0.887 129 E CA -0.693 55.580 56.400 -0.212 0.000 0.777 129 E CB 2.485 32.117 29.700 -0.113 0.000 1.205 129 E HN 0.344 nan 8.360 nan 0.000 0.414 130 I N 3.018 123.374 120.570 -0.357 0.000 2.359 130 I HA 0.394 4.564 4.170 0.000 0.000 0.294 130 I C -0.351 175.530 176.117 -0.394 0.000 0.987 130 I CA -0.577 60.580 61.300 -0.238 0.000 1.225 130 I CB 0.129 38.036 38.000 -0.155 0.000 1.366 130 I HN 0.458 nan 8.210 nan 0.000 0.466 131 Y N 3.580 123.913 120.300 0.056 0.000 2.492 131 Y HA 0.323 4.873 4.550 0.000 0.000 0.346 131 Y C 0.076 176.013 175.900 0.062 0.000 0.997 131 Y CA -0.918 57.217 58.100 0.059 0.000 1.025 131 Y CB 2.190 40.707 38.460 0.095 0.000 1.263 131 Y HN 0.515 nan 8.280 nan 0.000 0.454 132 N N 2.259 121.092 118.700 0.221 0.000 2.446 132 N HA 0.192 4.932 4.740 0.000 0.000 0.265 132 N C -1.532 174.079 175.510 0.168 0.000 0.975 132 N CA -0.507 52.634 53.050 0.152 0.000 0.928 132 N CB 0.892 39.437 38.487 0.098 0.000 1.160 132 N HN 0.449 nan 8.380 nan 0.000 0.495 133 E N 2.312 122.639 120.200 0.213 0.000 2.042 133 E HA 0.144 4.494 4.350 0.000 0.000 0.260 133 E C -0.474 176.383 176.600 0.428 0.000 0.975 133 E CA -0.491 56.107 56.400 0.330 0.000 0.799 133 E CB 0.381 30.325 29.700 0.406 0.000 1.131 133 E HN 0.624 nan 8.360 nan 0.000 0.423 134 E N 0.276 120.661 120.200 0.308 0.000 2.318 134 E HA 0.175 4.525 4.350 0.000 0.000 0.265 134 E C 0.015 176.502 176.600 -0.190 0.000 1.069 134 E CA -0.867 55.601 56.400 0.114 0.000 0.893 134 E CB 0.498 30.218 29.700 0.033 0.000 1.076 134 E HN 0.285 nan 8.360 nan 0.000 0.414 135 C N 2.869 121.645 119.300 -0.873 0.000 2.611 135 C HA 0.052 4.512 4.460 0.000 0.000 0.416 135 C C -1.030 173.404 174.990 -0.926 0.000 1.366 135 C CA -1.024 56.990 59.018 -1.674 0.000 1.761 135 C CB -0.328 26.403 27.740 -1.681 0.000 2.619 135 C HN 0.638 nan 8.230 nan 0.000 0.606 136 P HA -0.169 nan 4.420 nan 0.000 0.222 136 P C 1.243 178.167 177.300 -0.627 0.000 1.154 136 P CA 3.003 65.391 63.100 -1.186 0.000 0.874 136 P CB -0.014 30.604 31.700 -1.803 0.000 0.787 137 T N -5.942 108.290 114.554 -0.537 0.000 3.054 137 T HA 0.214 4.564 4.350 0.000 0.000 0.255 137 T C 0.575 175.135 174.700 -0.233 0.000 1.035 137 T CA -0.216 61.691 62.100 -0.322 0.000 0.941 137 T CB -0.467 68.236 68.868 -0.274 0.000 1.026 137 T HN -0.204 nan 8.240 nan 0.000 0.533 138 V N 3.085 122.841 119.914 -0.263 0.000 2.953 138 V HA 0.615 4.735 4.120 0.000 0.000 0.304 138 V C 0.636 176.665 176.094 -0.108 0.000 1.073 138 V CA -0.644 61.547 62.300 -0.181 0.000 1.064 138 V CB 1.462 33.159 31.823 -0.209 0.000 1.047 138 V HN 0.677 nan 8.190 nan 0.000 0.478 139 S N 0.656 116.312 115.700 -0.073 0.000 2.689 139 S HA 0.405 4.875 4.470 0.000 0.000 0.306 139 S C 0.355 174.938 174.600 -0.027 0.000 1.104 139 S CA -0.733 57.443 58.200 -0.041 0.000 0.973 139 S CB 1.736 64.916 63.200 -0.034 0.000 1.121 139 S HN 0.618 nan 8.310 nan 0.000 0.523 140 D N 1.089 121.481 120.400 -0.013 0.000 2.178 140 D HA -0.003 4.637 4.640 0.000 0.000 0.202 140 D C 2.171 178.466 176.300 -0.008 0.000 0.974 140 D CA 1.588 55.584 54.000 -0.006 0.000 0.841 140 D CB -0.773 40.028 40.800 0.001 0.000 0.953 140 D HN 0.695 nan 8.370 nan 0.000 0.478 141 A N 0.418 123.231 122.820 -0.011 0.000 1.948 141 A HA -0.056 4.264 4.320 0.000 0.000 0.220 141 A C 1.195 178.772 177.584 -0.012 0.000 1.177 141 A CA 1.739 53.770 52.037 -0.011 0.000 0.636 141 A CB -0.066 18.927 19.000 -0.012 0.000 0.815 141 A HN 0.370 nan 8.150 nan 0.000 0.449 142 S N -2.283 113.406 115.700 -0.018 0.000 2.611 142 S HA 0.534 5.004 4.470 0.000 0.000 0.270 142 S C -0.776 173.808 174.600 -0.027 0.000 1.131 142 S CA -0.374 57.816 58.200 -0.018 0.000 0.826 142 S CB 0.217 63.407 63.200 -0.017 0.000 1.095 142 S HN 1.064 nan 8.310 nan 0.000 0.461 143 I N -1.278 119.279 120.570 -0.022 0.000 2.562 143 I HA 0.630 4.800 4.170 0.000 0.000 0.301 143 I C -2.066 174.034 176.117 -0.027 0.000 1.003 143 I CA -2.658 58.625 61.300 -0.028 0.000 1.127 143 I CB 1.252 39.243 38.000 -0.014 0.000 1.304 143 I HN 0.413 nan 8.210 nan 0.000 0.446 144 P HA -0.079 nan 4.420 nan 0.000 0.214 144 P C 0.632 177.921 177.300 -0.017 0.000 1.163 144 P CA 1.176 64.256 63.100 -0.033 0.000 0.889 144 P CB -0.026 31.647 31.700 -0.046 0.000 0.790 145 L N -1.260 119.958 121.223 -0.008 0.000 3.717 145 L HA -0.200 4.140 4.340 0.000 0.000 0.411 145 L C -0.224 176.647 176.870 0.003 0.000 1.233 145 L CA 0.222 55.064 54.840 0.003 0.000 0.917 145 L CB -2.022 40.038 42.059 0.002 0.000 1.902 145 L HN 0.313 nan 8.230 nan 0.000 0.894 146 D N -1.244 119.157 120.400 0.001 0.000 2.650 146 D HA 0.528 5.168 4.640 0.000 0.000 0.255 146 D C 1.174 177.480 176.300 0.010 0.000 1.135 146 D CA 0.100 54.101 54.000 0.001 0.000 1.099 146 D CB 0.689 41.483 40.800 -0.009 0.000 1.273 146 D HN -0.069 nan 8.370 nan 0.000 0.628 147 G N -1.367 107.439 108.800 0.009 0.000 3.314 147 G HA2 0.433 4.393 3.960 0.000 0.000 0.238 147 G HA3 0.433 4.393 3.960 0.000 0.000 0.238 147 G C 0.405 175.317 174.900 0.020 0.000 1.184 147 G CA 0.166 45.276 45.100 0.017 0.000 0.806 147 G HN 0.669 nan 8.290 nan 0.000 0.536 148 A N 0.090 122.918 122.820 0.014 0.000 2.371 148 A HA 0.674 4.994 4.320 0.000 0.000 0.257 148 A C 0.198 177.818 177.584 0.059 0.000 1.089 148 A CA -0.182 51.864 52.037 0.015 0.000 0.794 148 A CB 0.560 19.550 19.000 -0.017 0.000 1.029 148 A HN 0.448 nan 8.150 nan 0.000 0.488 149 Q N 0.777 120.626 119.800 0.082 0.000 2.587 149 Q HA 0.720 5.060 4.340 0.000 0.000 0.293 149 Q C -1.123 175.027 176.000 0.250 0.000 1.083 149 Q CA -0.806 55.099 55.803 0.170 0.000 0.792 149 Q CB 2.282 31.078 28.738 0.096 0.000 1.484 149 Q HN 0.919 nan 8.270 nan 0.000 0.446 150 W N -1.079 120.178 121.300 -0.072 0.000 3.146 150 W HA 0.672 5.332 4.660 0.000 0.000 0.319 150 W C -1.807 174.673 176.519 -0.065 0.000 1.258 150 W CA -0.889 56.387 57.345 -0.115 0.000 1.189 150 W CB 0.639 30.004 29.460 -0.159 0.000 1.412 150 W HN 0.515 nan 8.180 nan 0.000 0.567 151 S N 1.409 117.036 115.700 -0.121 0.000 2.593 151 S HA 0.807 5.277 4.470 0.000 0.000 0.297 151 S C -1.188 173.264 174.600 -0.246 0.000 1.112 151 S CA -0.619 57.449 58.200 -0.220 0.000 1.043 151 S CB 1.871 65.011 63.200 -0.099 0.000 1.054 151 S HN 0.458 nan 8.310 nan 0.000 0.516 152 L N 1.503 122.639 121.223 -0.146 0.000 2.482 152 L HA 0.690 5.030 4.340 0.000 0.000 0.263 152 L C -1.236 175.827 176.870 0.323 0.000 0.957 152 L CA 0.071 54.918 54.840 0.010 0.000 0.836 152 L CB 2.100 43.957 42.059 -0.336 0.000 1.324 152 L HN 0.602 nan 8.230 nan 0.000 0.406 153 S N 5.021 120.961 115.700 0.401 0.000 2.521 153 S HA 0.729 5.199 4.470 0.000 0.000 0.295 153 S C -0.804 174.016 174.600 0.368 0.000 1.098 153 S CA -0.409 58.077 58.200 0.477 0.000 0.999 153 S CB 1.454 65.008 63.200 0.590 0.000 1.034 153 S HN 0.513 nan 8.310 nan 0.000 0.483 154 I N 3.574 124.289 120.570 0.242 0.000 2.382 154 I HA 0.419 4.589 4.170 0.000 0.000 0.286 154 I C -0.969 175.211 176.117 0.106 0.000 1.002 154 I CA -0.442 60.966 61.300 0.179 0.000 1.135 154 I CB 1.144 39.162 38.000 0.029 0.000 1.288 154 I HN 0.470 nan 8.210 nan 0.000 0.448 155 I N 5.156 125.870 120.570 0.241 0.000 2.328 155 I HA 0.197 4.367 4.170 0.000 0.000 0.287 155 I C 0.301 176.591 176.117 0.287 0.000 1.012 155 I CA -0.177 61.250 61.300 0.210 0.000 1.195 155 I CB 1.525 39.704 38.000 0.300 0.000 1.350 155 I HN 0.449 nan 8.210 nan 0.000 0.464 156 S N 6.814 122.601 115.700 0.145 0.000 2.474 156 S HA 0.467 4.937 4.470 0.000 0.000 0.320 156 S C -0.789 173.955 174.600 0.240 0.000 1.067 156 S CA -0.329 58.012 58.200 0.236 0.000 1.127 156 S CB 0.048 63.410 63.200 0.270 0.000 0.971 156 S HN 0.348 nan 8.310 nan 0.000 0.472 157 Y N 4.659 125.117 120.300 0.263 0.000 2.376 157 Y HA 0.435 4.985 4.550 0.000 0.000 0.325 157 Y C -1.824 174.170 175.900 0.157 0.000 1.199 157 Y CA -2.176 56.083 58.100 0.265 0.000 1.206 157 Y CB 1.223 39.872 38.460 0.315 0.000 1.229 157 Y HN 0.493 nan 8.280 nan 0.000 0.480 158 P HA 0.162 nan 4.420 nan 0.000 0.268 158 P C -1.055 176.380 177.300 0.226 0.000 1.541 158 P CA 0.372 63.572 63.100 0.167 0.000 1.093 158 P CB 0.061 31.874 31.700 0.188 0.000 1.551 159 M N 2.159 121.865 119.600 0.176 0.000 2.662 159 M HA 0.322 4.802 4.480 0.000 0.000 0.310 159 M C 0.906 177.269 176.300 0.105 0.000 1.204 159 M CA -0.969 54.428 55.300 0.162 0.000 0.891 159 M CB 1.921 34.586 32.600 0.109 0.000 1.732 159 M HN 0.008 nan 8.290 nan 0.000 0.467 160 F N 1.155 121.026 119.950 -0.133 0.000 2.206 160 F HA 0.020 4.547 4.527 0.000 0.000 0.298 160 F C 1.738 177.368 175.800 -0.284 0.000 1.090 160 F CA 1.883 59.638 58.000 -0.408 0.000 1.323 160 F CB 0.178 38.714 39.000 -0.774 0.000 1.028 160 F HN 0.466 nan 8.300 nan 0.000 0.492 161 R N -1.723 118.696 120.500 -0.135 0.000 2.316 161 R HA 0.198 4.538 4.340 0.000 0.000 0.201 161 R C 0.150 176.428 176.300 -0.036 0.000 0.888 161 R CA 0.416 56.462 56.100 -0.091 0.000 1.041 161 R CB 0.138 30.555 30.300 0.195 0.000 1.115 161 R HN 0.022 nan 8.270 nan 0.000 0.559 162 T N 0.454 114.994 114.554 -0.022 0.000 2.845 162 T HA 0.398 4.748 4.350 0.000 0.000 0.288 162 T C 0.827 175.443 174.700 -0.140 0.000 0.980 162 T CA -0.280 61.756 62.100 -0.106 0.000 1.071 162 T CB 1.951 70.748 68.868 -0.119 0.000 0.941 162 T HN 0.160 nan 8.240 nan 0.000 0.487 163 A N 2.877 125.565 122.820 -0.221 0.000 1.871 163 A HA 0.464 4.784 4.320 0.000 0.000 0.211 163 A C 0.240 177.850 177.584 0.044 0.000 1.207 163 A CA 0.803 52.800 52.037 -0.067 0.000 0.620 163 A CB -0.200 18.770 19.000 -0.049 0.000 0.860 163 A HN 0.967 nan 8.150 nan 0.000 0.450 164 Y N -5.298 114.827 120.300 -0.292 0.000 2.851 164 Y HA 0.597 5.147 4.550 0.000 0.000 0.359 164 Y C -1.529 174.059 175.900 -0.520 0.000 1.231 164 Y CA -2.508 55.406 58.100 -0.311 0.000 1.106 164 Y CB 0.052 38.477 38.460 -0.060 0.000 1.409 164 Y HN -0.034 nan 8.280 nan 0.000 0.454 165 F N 1.326 121.451 119.950 0.290 0.000 2.492 165 F HA 0.902 5.429 4.527 0.000 0.000 0.327 165 F C 0.077 176.077 175.800 0.333 0.000 1.079 165 F CA -0.711 57.392 58.000 0.172 0.000 0.967 165 F CB 2.360 41.422 39.000 0.103 0.000 1.169 165 F HN 0.820 nan 8.300 nan 0.000 0.472 166 A N 2.145 125.249 122.820 0.473 0.000 2.343 166 A HA 0.792 5.112 4.320 0.000 0.000 0.308 166 A C -1.557 176.391 177.584 0.606 0.000 1.092 166 A CA -0.665 51.693 52.037 0.535 0.000 0.751 166 A CB 1.060 20.371 19.000 0.518 0.000 1.203 166 A HN 0.531 nan 8.150 nan 0.000 0.452 167 V N 1.639 121.880 119.914 0.545 0.000 2.495 167 V HA 0.805 4.925 4.120 0.000 0.000 0.298 167 V C 0.329 176.757 176.094 0.556 0.000 1.031 167 V CA -0.076 62.550 62.300 0.544 0.000 0.871 167 V CB 1.375 33.432 31.823 0.391 0.000 0.988 167 V HN 1.316 nan 8.190 nan 0.000 0.432 168 A N 3.981 127.103 122.820 0.504 0.000 2.454 168 A HA 0.852 5.172 4.320 0.000 0.000 0.302 168 A C -0.885 176.725 177.584 0.044 0.000 1.079 168 A CA -0.761 51.417 52.037 0.236 0.000 0.731 168 A CB 1.719 20.715 19.000 -0.006 0.000 1.299 168 A HN 0.801 nan 8.150 nan 0.000 0.413 169 N N 1.182 119.724 118.700 -0.264 0.000 2.448 169 N HA 0.402 5.142 4.740 0.000 0.000 0.279 169 N C 0.349 175.684 175.510 -0.293 0.000 1.025 169 N CA -0.535 52.087 53.050 -0.713 0.000 0.898 169 N CB 1.731 39.309 38.487 -1.515 0.000 1.303 169 N HN 0.188 nan 8.380 nan 0.000 0.495 170 V N 1.921 121.706 119.914 -0.215 0.000 2.594 170 V HA -0.107 4.013 4.120 0.000 0.000 0.253 170 V C 0.644 176.667 176.094 -0.119 0.000 1.069 170 V CA 1.409 63.617 62.300 -0.153 0.000 1.082 170 V CB -0.329 31.411 31.823 -0.139 0.000 0.680 170 V HN 0.707 nan 8.190 nan 0.000 0.469 171 D N -0.142 120.158 120.400 -0.166 0.000 2.342 171 D HA 0.089 4.729 4.640 0.000 0.000 0.221 171 D C 0.836 177.075 176.300 -0.102 0.000 1.101 171 D CA 0.021 53.953 54.000 -0.114 0.000 0.837 171 D CB -0.546 40.190 40.800 -0.107 0.000 0.938 171 D HN 0.449 nan 8.370 nan 0.000 0.508 172 N N 0.996 119.629 118.700 -0.112 0.000 2.725 172 N HA -0.227 4.513 4.740 0.000 0.000 0.251 172 N C -0.756 174.692 175.510 -0.103 0.000 1.031 172 N CA 0.672 53.669 53.050 -0.087 0.000 0.720 172 N CB -0.775 37.699 38.487 -0.021 0.000 0.930 172 N HN 0.222 nan 8.380 nan 0.000 0.543 173 K N -0.062 120.248 120.400 -0.150 0.000 2.210 173 K HA 0.363 4.683 4.320 0.000 0.000 0.236 173 K C 0.045 176.686 176.600 0.068 0.000 1.016 173 K CA -0.873 55.390 56.287 -0.039 0.000 0.913 173 K CB 0.806 33.313 32.500 0.012 0.000 1.141 173 K HN 0.135 nan 8.250 nan 0.000 0.462 174 E N 1.450 121.737 120.200 0.145 0.000 2.277 174 E HA 0.200 4.550 4.350 0.000 0.000 0.274 174 E C 0.032 176.857 176.600 0.374 0.000 1.022 174 E CA -0.416 56.097 56.400 0.188 0.000 0.853 174 E CB 1.029 30.767 29.700 0.063 0.000 1.086 174 E HN 0.367 nan 8.360 nan 0.000 0.397 175 I N 1.051 121.799 120.570 0.297 0.000 2.696 175 I HA 0.008 4.178 4.170 0.000 0.000 0.284 175 I C 0.973 177.066 176.117 -0.039 0.000 1.129 175 I CA -0.122 61.159 61.300 -0.031 0.000 1.410 175 I CB 0.311 38.152 38.000 -0.266 0.000 1.399 175 I HN 0.346 nan 8.210 nan 0.000 0.579 176 S N 4.532 120.167 115.700 -0.108 0.000 2.704 176 S HA 0.370 4.840 4.470 0.000 0.000 0.305 176 S C 0.487 175.037 174.600 -0.084 0.000 1.107 176 S CA -0.878 57.290 58.200 -0.054 0.000 0.993 176 S CB 1.868 65.056 63.200 -0.020 0.000 1.110 176 S HN 0.631 nan 8.310 nan 0.000 0.534 177 L N 0.915 122.113 121.223 -0.042 0.000 2.079 177 L HA -0.072 4.268 4.340 0.000 0.000 0.210 177 L C 1.839 178.695 176.870 -0.024 0.000 1.081 177 L CA 2.066 56.890 54.840 -0.027 0.000 0.752 177 L CB -1.149 40.908 42.059 -0.003 0.000 0.896 177 L HN 0.823 nan 8.230 nan 0.000 0.433 178 D N -0.796 119.587 120.400 -0.028 0.000 2.097 178 D HA -0.161 4.479 4.640 0.000 0.000 0.195 178 D C 2.209 178.480 176.300 -0.049 0.000 0.989 178 D CA 1.915 55.904 54.000 -0.019 0.000 0.827 178 D CB -0.041 40.748 40.800 -0.018 0.000 0.966 178 D HN 0.317 nan 8.370 nan 0.000 0.456 179 V N 1.194 121.025 119.914 -0.138 0.000 2.490 179 V HA -0.202 3.918 4.120 0.000 0.000 0.250 179 V C 2.527 178.542 176.094 -0.132 0.000 1.061 179 V CA 1.671 63.824 62.300 -0.245 0.000 1.064 179 V CB -0.760 30.681 31.823 -0.636 0.000 0.670 179 V HN 0.193 nan 8.190 nan 0.000 0.461 180 T N 0.348 114.813 114.554 -0.148 0.000 2.708 180 T HA -0.157 4.193 4.350 0.000 0.000 0.266 180 T C 1.860 176.533 174.700 -0.046 0.000 1.037 180 T CA 1.583 63.610 62.100 -0.122 0.000 1.146 180 T CB -0.376 68.426 68.868 -0.109 0.000 0.865 180 T HN 0.433 nan 8.240 nan 0.000 0.435 181 N N 1.356 120.078 118.700 0.036 0.000 2.223 181 N HA -0.093 4.647 4.740 0.000 0.000 0.185 181 N C 1.492 177.099 175.510 0.162 0.000 1.016 181 N CA 0.931 54.074 53.050 0.156 0.000 0.863 181 N CB -0.379 38.241 38.487 0.221 0.000 0.983 181 N HN 0.365 nan 8.380 nan 0.000 0.429 182 D N 1.082 121.567 120.400 0.142 0.000 2.117 182 D HA -0.093 4.547 4.640 0.000 0.000 0.197 182 D C 2.073 178.565 176.300 0.320 0.000 0.987 182 D CA 0.243 54.381 54.000 0.229 0.000 0.829 182 D CB -0.274 40.630 40.800 0.174 0.000 0.961 182 D HN 0.178 nan 8.370 nan 0.000 0.460 183 L N 0.649 121.984 121.223 0.188 0.000 2.017 183 L HA -0.160 4.180 4.340 0.000 0.000 0.208 183 L C 2.285 179.079 176.870 -0.127 0.000 1.073 183 L CA 1.112 55.808 54.840 -0.240 0.000 0.745 183 L CB -0.223 41.503 42.059 -0.555 0.000 0.894 183 L HN 0.037 nan 8.230 nan 0.000 0.432 184 I N -1.161 119.314 120.570 -0.159 0.000 2.226 184 I HA -0.279 3.891 4.170 0.000 0.000 0.245 184 I C 2.480 178.541 176.117 -0.093 0.000 1.100 184 I CA 0.975 62.109 61.300 -0.276 0.000 1.374 184 I CB -0.372 37.183 38.000 -0.741 0.000 1.057 184 I HN 0.073 nan 8.210 nan 0.000 0.413 185 V N -0.025 119.954 119.914 0.108 0.000 2.295 185 V HA -0.298 3.822 4.120 0.000 0.000 0.246 185 V C 2.178 178.401 176.094 0.215 0.000 1.049 185 V CA 2.043 64.486 62.300 0.238 0.000 1.024 185 V CB -0.695 31.306 31.823 0.297 0.000 0.648 185 V HN 0.575 nan 8.190 nan 0.000 0.447 186 W N 0.299 121.640 121.300 0.069 0.000 2.335 186 W HA -0.194 4.466 4.660 0.000 0.000 0.311 186 W C 2.231 178.764 176.519 0.023 0.000 1.213 186 W CA 1.838 59.227 57.345 0.075 0.000 1.274 186 W CB -0.195 29.340 29.460 0.124 0.000 1.148 186 W HN 0.144 nan 8.180 nan 0.000 0.498 187 L N 0.247 121.610 121.223 0.234 0.000 2.156 187 L HA -0.176 4.164 4.340 0.000 0.000 0.208 187 L C 1.797 178.669 176.870 0.004 0.000 1.095 187 L CA 1.119 56.021 54.840 0.103 0.000 0.770 187 L CB -0.856 41.262 42.059 0.098 0.000 0.914 187 L HN -0.045 nan 8.230 nan 0.000 0.439 188 N N -0.080 118.625 118.700 0.009 0.000 2.457 188 N HA -0.084 4.656 4.740 0.000 0.000 0.180 188 N C 0.949 176.427 175.510 -0.053 0.000 1.050 188 N CA 0.706 53.730 53.050 -0.043 0.000 0.906 188 N CB -0.029 38.456 38.487 -0.003 0.000 0.968 188 N HN 0.295 nan 8.380 nan 0.000 0.445 189 N N -0.143 118.522 118.700 -0.059 0.000 2.170 189 N HA 0.124 4.864 4.740 0.000 0.000 0.222 189 N C -0.402 175.032 175.510 -0.127 0.000 1.218 189 N CA -0.131 52.880 53.050 -0.064 0.000 0.889 189 N CB 1.038 39.517 38.487 -0.013 0.000 1.083 189 N HN 0.165 nan 8.380 nan 0.000 0.520 190 L N 1.676 122.767 121.223 -0.220 0.000 2.737 190 L HA -0.132 4.208 4.340 0.000 0.000 0.279 190 L C 1.726 178.529 176.870 -0.112 0.000 1.200 190 L CA -0.327 54.342 54.840 -0.284 0.000 0.952 190 L CB 0.433 42.326 42.059 -0.277 0.000 1.240 190 L HN 0.170 nan 8.230 nan 0.000 0.486 191 A N 3.487 126.244 122.820 -0.105 0.000 1.865 191 A HA -0.129 4.191 4.320 0.000 0.000 0.217 191 A C 1.097 178.693 177.584 0.021 0.000 1.191 191 A CA 1.854 53.876 52.037 -0.024 0.000 0.623 191 A CB -0.160 18.817 19.000 -0.038 0.000 0.826 191 A HN 0.752 nan 8.150 nan 0.000 0.444 192 S N -1.245 114.458 115.700 0.004 0.000 2.461 192 S HA 0.306 4.776 4.470 0.000 0.000 0.216 192 S C 0.379 175.008 174.600 0.048 0.000 1.201 192 S CA -0.024 58.208 58.200 0.052 0.000 1.171 192 S CB -0.034 63.159 63.200 -0.012 0.000 1.169 192 S HN 0.804 nan 8.310 nan 0.000 0.456 193 W N 4.094 125.342 121.300 -0.086 0.000 2.364 193 W HA -0.065 4.595 4.660 0.000 0.000 0.281 193 W C 1.023 177.536 176.519 -0.011 0.000 1.219 193 W CA 0.782 58.079 57.345 -0.080 0.000 1.220 193 W CB -0.872 28.569 29.460 -0.031 0.000 1.127 193 W HN 0.628 nan 8.180 nan 0.000 0.556 194 R N 0.648 120.734 120.500 -0.690 0.000 2.120 194 R HA -0.123 4.217 4.340 0.000 0.000 0.234 194 R C 1.893 178.052 176.300 -0.236 0.000 1.123 194 R CA 1.751 57.489 56.100 -0.602 0.000 0.975 194 R CB -0.360 29.609 30.300 -0.552 0.000 0.866 194 R HN 0.122 nan 8.270 nan 0.000 0.446 195 D N -0.141 120.163 120.400 -0.159 0.000 2.149 195 D HA -0.095 4.545 4.640 0.000 0.000 0.201 195 D C 1.881 178.160 176.300 -0.035 0.000 0.972 195 D CA 1.062 55.020 54.000 -0.071 0.000 0.835 195 D CB 0.181 40.954 40.800 -0.044 0.000 0.966 195 D HN 0.026 nan 8.370 nan 0.000 0.476 196 V N 0.957 120.802 119.914 -0.114 0.000 2.358 196 V HA -0.177 3.943 4.120 0.000 0.000 0.246 196 V C 2.654 178.723 176.094 -0.041 0.000 1.047 196 V CA 0.898 63.068 62.300 -0.217 0.000 1.035 196 V CB -0.310 31.284 31.823 -0.381 0.000 0.658 196 V HN 0.030 nan 8.190 nan 0.000 0.452 197 V N 0.189 120.050 119.914 -0.089 0.000 2.270 197 V HA -0.228 3.892 4.120 0.000 0.000 0.245 197 V C 2.264 178.310 176.094 -0.080 0.000 1.043 197 V CA 2.167 64.382 62.300 -0.143 0.000 1.014 197 V CB -0.675 30.934 31.823 -0.358 0.000 0.645 197 V HN 0.541 nan 8.190 nan 0.000 0.447 198 D N 0.423 120.807 120.400 -0.027 0.000 2.218 198 D HA -0.125 4.515 4.640 0.000 0.000 0.204 198 D C 2.365 178.694 176.300 0.048 0.000 0.976 198 D CA 1.665 55.684 54.000 0.032 0.000 0.853 198 D CB -0.186 40.632 40.800 0.029 0.000 0.939 198 D HN 0.619 nan 8.370 nan 0.000 0.481 199 S N -0.401 115.355 115.700 0.093 0.000 2.428 199 S HA 0.053 4.523 4.470 0.000 0.000 0.230 199 S C 1.900 176.555 174.600 0.093 0.000 1.014 199 S CA 1.017 59.292 58.200 0.125 0.000 0.957 199 S CB -0.274 63.084 63.200 0.263 0.000 0.784 199 S HN 0.298 nan 8.310 nan 0.000 0.499 200 G N 1.051 109.899 108.800 0.080 0.000 2.225 200 G HA2 -0.213 3.747 3.960 0.000 0.000 0.267 200 G HA3 -0.213 3.747 3.960 0.000 0.000 0.267 200 G C -0.132 174.751 174.900 -0.029 0.000 1.024 200 G CA 0.375 45.471 45.100 -0.007 0.000 0.784 200 G HN 0.575 nan 8.290 nan 0.000 0.507 201 Q N -1.585 118.271 119.800 0.094 0.000 2.204 201 Q HA 0.510 4.850 4.340 0.000 0.000 0.254 201 Q C -0.089 175.987 176.000 0.126 0.000 0.981 201 Q CA -0.731 55.087 55.803 0.025 0.000 0.897 201 Q CB 1.042 29.703 28.738 -0.128 0.000 1.273 201 Q HN 0.413 nan 8.270 nan 0.000 0.464 202 W N 1.178 122.517 121.300 0.066 0.000 2.322 202 W HA 0.309 4.969 4.660 0.000 0.000 0.307 202 W C -0.466 176.203 176.519 0.249 0.000 1.220 202 W CA -0.266 57.204 57.345 0.207 0.000 1.210 202 W CB 0.510 29.986 29.460 0.026 0.000 1.223 202 W HN 0.366 nan 8.180 nan 0.000 0.511 203 F N 1.835 122.118 119.950 0.556 0.000 2.450 203 F HA 0.365 4.892 4.527 0.000 0.000 0.332 203 F C 0.714 176.623 175.800 0.182 0.000 1.093 203 F CA -0.852 57.368 58.000 0.367 0.000 1.003 203 F CB 1.423 40.622 39.000 0.332 0.000 1.151 203 F HN -0.032 nan 8.300 nan 0.000 0.474 204 T N 4.679 119.311 114.554 0.130 0.000 2.780 204 T HA 0.196 4.546 4.350 0.000 0.000 0.294 204 T C 0.540 175.111 174.700 -0.216 0.000 0.949 204 T CA -0.196 61.726 62.100 -0.295 0.000 1.074 204 T CB 0.259 68.867 68.868 -0.433 0.000 0.910 204 T HN 0.524 nan 8.240 nan 0.000 0.501 205 F N 0.321 119.997 119.950 -0.457 0.000 2.724 205 F HA 0.557 5.084 4.527 0.000 0.000 0.306 205 F C 0.845 176.518 175.800 -0.211 0.000 1.100 205 F CA -0.800 56.819 58.000 -0.636 0.000 1.255 205 F CB 0.196 38.545 39.000 -1.085 0.000 1.072 205 F HN 0.437 nan 8.300 nan 0.000 0.589 206 S N 0.626 115.754 115.700 -0.952 0.000 2.690 206 S HA 0.210 4.680 4.470 0.000 0.000 0.291 206 S C 0.841 175.281 174.600 -0.267 0.000 1.138 206 S CA -0.519 57.332 58.200 -0.581 0.000 1.013 206 S CB 0.740 63.451 63.200 -0.815 0.000 1.053 206 S HN 0.240 nan 8.310 nan 0.000 0.539 207 D N 0.989 121.307 120.400 -0.137 0.000 2.218 207 D HA -0.076 4.564 4.640 0.000 0.000 0.204 207 D C 0.187 176.439 176.300 -0.081 0.000 0.976 207 D CA 0.959 54.920 54.000 -0.064 0.000 0.853 207 D CB -0.119 40.666 40.800 -0.025 0.000 0.939 207 D HN 0.527 nan 8.370 nan 0.000 0.481 208 D N 0.969 121.304 120.400 -0.108 0.000 2.316 208 D HA 0.035 4.675 4.640 0.000 0.000 0.245 208 D C -1.541 174.682 176.300 -0.128 0.000 1.171 208 D CA -2.041 51.928 54.000 -0.053 0.000 0.856 208 D CB 1.800 42.637 40.800 0.062 0.000 1.090 208 D HN -0.026 nan 8.370 nan 0.000 0.476 209 P HA -0.100 nan 4.420 nan 0.000 0.230 209 P C 0.927 178.067 177.300 -0.267 0.000 1.158 209 P CA 0.795 63.772 63.100 -0.205 0.000 0.769 209 P CB -0.026 31.612 31.700 -0.103 0.000 0.807 210 T N -6.273 108.179 114.554 -0.171 0.000 3.100 210 T HA 0.007 4.357 4.350 0.000 0.000 0.253 210 T C 0.203 174.738 174.700 -0.275 0.000 1.118 210 T CA -0.289 61.714 62.100 -0.161 0.000 1.058 210 T CB -0.572 68.178 68.868 -0.196 0.000 0.953 210 T HN -0.012 nan 8.240 nan 0.000 0.515 211 W N 0.998 122.054 121.300 -0.407 0.000 2.469 211 W HA 0.665 5.325 4.660 0.000 0.000 0.320 211 W C -0.978 175.199 176.519 -0.570 0.000 1.086 211 W CA -1.452 55.700 57.345 -0.321 0.000 1.211 211 W CB 0.806 29.986 29.460 -0.468 0.000 1.298 211 W HN -0.064 nan 8.180 nan 0.000 0.525 212 F N 1.644 121.819 119.950 0.374 0.000 2.588 212 F HA 0.705 5.232 4.527 0.000 0.000 0.314 212 F C -0.134 176.062 175.800 0.661 0.000 1.069 212 F CA -1.422 56.834 58.000 0.428 0.000 0.931 212 F CB 0.996 40.087 39.000 0.152 0.000 1.260 212 F HN -0.085 nan 8.300 nan 0.000 0.465 213 V N 0.973 121.341 119.914 0.756 0.000 3.113 213 V HA 0.760 4.880 4.120 0.000 0.000 0.316 213 V C -0.824 175.616 176.094 0.577 0.000 1.125 213 V CA -1.119 61.479 62.300 0.497 0.000 1.026 213 V CB 2.374 34.181 31.823 -0.026 0.000 1.080 213 V HN 0.772 nan 8.190 nan 0.000 0.444 214 R N 0.873 121.576 120.500 0.338 0.000 2.563 214 R HA 0.559 4.899 4.340 0.000 0.000 0.262 214 R C -2.227 174.091 176.300 0.030 0.000 1.128 214 R CA -0.531 55.607 56.100 0.063 0.000 0.969 214 R CB 1.683 31.685 30.300 -0.496 0.000 1.251 214 R HN 0.772 nan 8.270 nan 0.000 0.442 215 I N 4.978 125.541 120.570 -0.013 0.000 2.330 215 I HA 0.423 4.593 4.170 0.000 0.000 0.289 215 I C 0.005 175.861 176.117 -0.434 0.000 1.001 215 I CA -0.958 60.273 61.300 -0.114 0.000 1.193 215 I CB 1.235 39.310 38.000 0.125 0.000 1.345 215 I HN 0.308 nan 8.210 nan 0.000 0.461 216 R N 4.850 124.891 120.500 -0.764 0.000 2.428 216 R HA 0.649 4.989 4.340 0.000 0.000 0.294 216 R C -0.674 175.164 176.300 -0.771 0.000 1.000 216 R CA -0.728 54.755 56.100 -1.028 0.000 0.960 216 R CB 2.234 31.555 30.300 -1.633 0.000 1.076 216 R HN 0.335 nan 8.270 nan 0.000 0.475 217 V N 3.350 122.844 119.914 -0.699 0.000 2.960 217 V HA 0.434 4.554 4.120 0.000 0.000 0.315 217 V C -0.392 175.438 176.094 -0.439 0.000 1.087 217 V CA -0.980 60.956 62.300 -0.608 0.000 0.982 217 V CB 2.448 33.643 31.823 -1.047 0.000 1.039 217 V HN 0.556 nan 8.190 nan 0.000 0.437 218 L N 5.151 126.193 121.223 -0.301 0.000 2.315 218 L HA 0.388 4.728 4.340 0.000 0.000 0.278 218 L C 1.417 178.210 176.870 -0.127 0.000 1.088 218 L CA -0.510 54.233 54.840 -0.162 0.000 0.899 218 L CB 0.151 42.132 42.059 -0.130 0.000 1.277 218 L HN 0.753 nan 8.230 nan 0.000 0.431 219 H N 2.184 121.276 119.070 0.038 0.000 2.325 219 H HA -0.165 4.391 4.556 0.000 0.000 0.293 219 H C -0.558 174.820 175.328 0.084 0.000 1.106 219 H CA 1.949 58.057 56.048 0.099 0.000 1.247 219 H CB -1.100 28.703 29.762 0.069 0.000 1.359 219 H HN 0.461 nan 8.280 nan 0.000 0.488 220 P HA -0.134 nan 4.420 nan 0.000 0.218 220 P C 1.545 178.919 177.300 0.123 0.000 1.146 220 P CA 2.762 65.932 63.100 0.117 0.000 0.820 220 P CB -0.078 31.665 31.700 0.071 0.000 0.778 221 T N -6.604 107.946 114.554 -0.007 0.000 2.969 221 T HA 0.021 4.371 4.350 0.000 0.000 0.250 221 T C 1.699 176.382 174.700 -0.028 0.000 1.021 221 T CA -0.111 61.915 62.100 -0.123 0.000 1.003 221 T CB -1.013 67.383 68.868 -0.787 0.000 1.040 221 T HN -0.007 nan 8.240 nan 0.000 0.492 222 Y N 2.763 122.998 120.300 -0.108 0.000 2.220 222 Y HA 0.069 4.619 4.550 0.000 0.000 0.291 222 Y C 1.381 177.268 175.900 -0.021 0.000 1.129 222 Y CA 1.294 59.352 58.100 -0.070 0.000 1.161 222 Y CB -0.379 38.002 38.460 -0.133 0.000 0.997 222 Y HN 0.076 nan 8.280 nan 0.000 0.522 223 D N 0.973 121.400 120.400 0.046 0.000 2.403 223 D HA -0.067 4.573 4.640 0.000 0.000 0.227 223 D C -0.040 176.201 176.300 -0.099 0.000 0.995 223 D CA 0.846 54.822 54.000 -0.041 0.000 0.928 223 D CB -0.269 40.593 40.800 0.105 0.000 0.887 223 D HN 0.303 nan 8.370 nan 0.000 0.529 224 L N 1.406 122.578 121.223 -0.085 0.000 2.276 224 L HA 0.270 4.610 4.340 0.000 0.000 0.286 224 L C -1.996 174.798 176.870 -0.127 0.000 1.061 224 L CA -1.940 52.855 54.840 -0.074 0.000 0.807 224 L CB 1.159 43.199 42.059 -0.031 0.000 1.177 224 L HN -0.307 nan 8.230 nan 0.000 0.429 225 P HA -0.136 nan 4.420 nan 0.000 0.264 225 P C -0.594 176.662 177.300 -0.074 0.000 1.173 225 P CA 0.012 63.043 63.100 -0.115 0.000 0.761 225 P CB 0.311 31.961 31.700 -0.085 0.000 0.794 226 D N 4.294 124.659 120.400 -0.059 0.000 2.493 226 D HA -0.044 4.596 4.640 0.000 0.000 0.240 226 D C -1.391 174.921 176.300 0.020 0.000 1.142 226 D CA -1.323 52.685 54.000 0.013 0.000 0.872 226 D CB 0.542 41.374 40.800 0.053 0.000 1.173 226 D HN 0.130 nan 8.370 nan 0.000 0.467 227 P HA -0.160 nan 4.420 nan 0.000 0.218 227 P C 1.093 178.444 177.300 0.085 0.000 1.154 227 P CA 1.765 64.898 63.100 0.055 0.000 0.872 227 P CB 0.095 31.832 31.700 0.062 0.000 0.790 228 T N -1.585 113.037 114.554 0.114 0.000 3.007 228 T HA -0.101 4.249 4.350 0.000 0.000 0.270 228 T C 1.465 176.170 174.700 0.008 0.000 1.107 228 T CA 1.158 63.305 62.100 0.078 0.000 1.118 228 T CB -0.377 68.540 68.868 0.082 0.000 0.889 228 T HN 0.133 nan 8.240 nan 0.000 0.506 229 E N 0.152 120.351 120.200 -0.003 0.000 2.460 229 E HA 0.322 4.672 4.350 0.000 0.000 0.200 229 E C 0.834 177.409 176.600 -0.042 0.000 1.011 229 E CA -0.081 56.297 56.400 -0.037 0.000 0.912 229 E CB 0.470 30.140 29.700 -0.051 0.000 0.953 229 E HN 0.501 nan 8.360 nan 0.000 0.494 230 G N -1.360 107.423 108.800 -0.028 0.000 2.975 230 G HA2 0.354 4.314 3.960 0.000 0.000 0.291 230 G HA3 0.354 4.314 3.960 0.000 0.000 0.291 230 G C -0.173 174.715 174.900 -0.020 0.000 1.334 230 G CA -0.566 44.515 45.100 -0.032 0.000 0.843 230 G HN 0.055 nan 8.290 nan 0.000 0.548 231 L N -0.323 120.885 121.223 -0.025 0.000 2.638 231 L HA 0.379 4.719 4.340 0.000 0.000 0.232 231 L C 0.554 177.409 176.870 -0.025 0.000 1.099 231 L CA 0.110 54.939 54.840 -0.018 0.000 0.883 231 L CB 0.032 42.080 42.059 -0.018 0.000 1.136 231 L HN 0.131 nan 8.230 nan 0.000 0.492 232 L N 0.472 121.672 121.223 -0.039 0.000 2.453 232 L HA 0.294 4.634 4.340 0.000 0.000 0.261 232 L C 0.099 176.930 176.870 -0.065 0.000 1.179 232 L CA -0.093 54.711 54.840 -0.060 0.000 0.813 232 L CB 0.462 42.477 42.059 -0.074 0.000 1.110 232 L HN 0.067 nan 8.230 nan 0.000 0.466 233 R N -0.607 119.834 120.500 -0.098 0.000 2.739 233 R HA 0.385 4.725 4.340 0.000 0.000 0.271 233 R C 0.111 176.302 176.300 -0.182 0.000 1.010 233 R CA -0.246 55.797 56.100 -0.094 0.000 0.897 233 R CB 1.746 32.015 30.300 -0.051 0.000 1.236 233 R HN 0.787 nan 8.270 nan 0.000 0.466 234 T N -2.395 112.085 114.554 -0.124 0.000 3.395 234 T HA 0.297 4.647 4.350 0.000 0.000 0.230 234 T C 1.014 175.765 174.700 0.084 0.000 0.958 234 T CA 0.666 62.691 62.100 -0.126 0.000 1.377 234 T CB -0.239 68.728 68.868 0.165 0.000 1.124 234 T HN 0.446 nan 8.240 nan 0.000 0.425 235 V N -0.240 119.743 119.914 0.115 0.000 3.114 235 V HA 0.723 4.843 4.120 0.000 0.000 0.308 235 V C 1.081 177.198 176.094 0.039 0.000 1.168 235 V CA -0.341 62.058 62.300 0.165 0.000 1.015 235 V CB 1.548 33.569 31.823 0.330 0.000 1.050 235 V HN 0.556 nan 8.190 nan 0.000 0.433 236 S N 0.892 116.625 115.700 0.055 0.000 2.329 236 S HA 0.051 4.521 4.470 0.000 0.000 0.215 236 S C 0.369 174.956 174.600 -0.020 0.000 1.031 236 S CA 1.157 59.358 58.200 0.003 0.000 0.985 236 S CB -0.401 62.812 63.200 0.021 0.000 0.917 236 S HN 0.873 nan 8.310 nan 0.000 0.441 237 D N 0.686 121.089 120.400 0.006 0.000 2.252 237 D HA 0.653 5.293 4.640 0.000 0.000 0.245 237 D C -0.696 175.642 176.300 0.063 0.000 1.009 237 D CA -0.482 53.504 54.000 -0.023 0.000 0.870 237 D CB 1.656 42.419 40.800 -0.061 0.000 1.251 237 D HN 0.579 nan 8.370 nan 0.000 0.460 238 Y N -1.125 119.122 120.300 -0.089 0.000 2.705 238 Y HA 0.725 5.275 4.550 0.000 0.000 0.332 238 Y C -1.118 174.822 175.900 0.067 0.000 1.157 238 Y CA -1.263 56.849 58.100 0.020 0.000 1.091 238 Y CB 1.781 40.162 38.460 -0.132 0.000 1.301 238 Y HN 0.296 nan 8.280 nan 0.000 0.488 239 R N 2.408 123.026 120.500 0.196 0.000 2.560 239 R HA 0.388 4.728 4.340 0.000 0.000 0.267 239 R C -2.348 174.170 176.300 0.363 0.000 1.150 239 R CA -0.607 55.553 56.100 0.100 0.000 0.997 239 R CB 1.294 31.625 30.300 0.052 0.000 1.250 239 R HN 0.968 nan 8.270 nan 0.000 0.433 240 L N 3.734 125.185 121.223 0.380 0.000 2.380 240 L HA 0.226 4.566 4.340 0.000 0.000 0.273 240 L C 1.517 178.551 176.870 0.272 0.000 1.138 240 L CA 0.088 55.155 54.840 0.378 0.000 0.832 240 L CB 1.562 43.835 42.059 0.356 0.000 1.124 240 L HN 0.940 nan 8.230 nan 0.000 0.454 241 T N -1.366 113.296 114.554 0.180 0.000 3.023 241 T HA 0.177 4.527 4.350 0.000 0.000 0.253 241 T C -0.282 174.754 174.700 0.561 0.000 1.038 241 T CA -0.077 62.142 62.100 0.199 0.000 0.962 241 T CB 0.135 69.068 68.868 0.108 0.000 1.018 241 T HN 0.576 nan 8.240 nan 0.000 0.521 242 Y N -1.524 119.030 120.300 0.423 0.000 2.673 242 Y HA 0.636 5.186 4.550 0.000 0.000 0.357 242 Y C -1.610 174.457 175.900 0.278 0.000 1.211 242 Y CA -2.118 56.210 58.100 0.380 0.000 1.307 242 Y CB 0.397 39.048 38.460 0.319 0.000 1.384 242 Y HN 0.167 nan 8.280 nan 0.000 0.499 243 K N 2.351 123.033 120.400 0.469 0.000 2.557 243 K HA 0.787 5.107 4.320 0.000 0.000 0.257 243 K C -1.741 175.082 176.600 0.372 0.000 0.933 243 K CA -0.183 56.314 56.287 0.351 0.000 0.820 243 K CB 2.078 34.631 32.500 0.089 0.000 1.330 243 K HN 1.367 nan 8.250 nan 0.000 0.432 244 S N 3.621 119.540 115.700 0.366 0.000 2.556 244 S HA 0.694 5.164 4.470 0.000 0.000 0.271 244 S C -0.921 173.875 174.600 0.327 0.000 1.135 244 S CA -0.866 57.512 58.200 0.297 0.000 0.858 244 S CB 1.168 64.478 63.200 0.183 0.000 1.114 244 S HN 0.516 nan 8.310 nan 0.000 0.468 245 I N 1.579 122.301 120.570 0.253 0.000 2.569 245 I HA 0.386 4.556 4.170 0.000 0.000 0.290 245 I C -0.823 175.425 176.117 0.218 0.000 1.088 245 I CA -0.531 60.890 61.300 0.202 0.000 1.047 245 I CB 2.706 40.745 38.000 0.064 0.000 1.237 245 I HN 0.678 nan 8.210 nan 0.000 0.421 246 T N 4.383 119.062 114.554 0.209 0.000 2.756 246 T HA 0.244 4.594 4.350 0.000 0.000 0.290 246 T C -0.381 174.340 174.700 0.035 0.000 0.985 246 T CA -0.304 61.888 62.100 0.153 0.000 0.955 246 T CB 0.482 69.392 68.868 0.070 0.000 0.930 246 T HN 0.529 nan 8.240 nan 0.000 0.451 247 C N 4.678 123.972 119.300 -0.009 0.000 2.135 247 C HA 0.285 4.745 4.460 0.000 0.000 0.345 247 C C 0.942 175.890 174.990 -0.070 0.000 1.067 247 C CA -1.110 57.889 59.018 -0.032 0.000 1.517 247 C CB -1.610 26.176 27.740 0.078 0.000 1.923 247 C HN 0.809 nan 8.230 nan 0.000 0.466 248 E N 1.655 121.816 120.200 -0.065 0.000 2.257 248 E HA 0.361 4.711 4.350 0.000 0.000 0.278 248 E C 0.194 176.744 176.600 -0.083 0.000 1.049 248 E CA -0.015 56.346 56.400 -0.065 0.000 0.876 248 E CB 0.752 30.429 29.700 -0.038 0.000 1.035 248 E HN 0.772 nan 8.360 nan 0.000 0.419 249 A N 4.279 127.056 122.820 -0.071 0.000 2.671 249 A HA 0.065 4.385 4.320 0.000 0.000 0.306 249 A C 0.112 177.686 177.584 -0.017 0.000 1.473 249 A CA -0.442 51.557 52.037 -0.063 0.000 1.155 249 A CB -0.571 18.421 19.000 -0.014 0.000 1.123 249 A HN 0.561 nan 8.150 nan 0.000 0.545 250 N N 3.676 122.370 118.700 -0.010 0.000 2.739 250 N HA 0.283 5.023 4.740 0.000 0.000 0.266 250 N C -0.126 175.405 175.510 0.035 0.000 1.168 250 N CA -0.009 53.050 53.050 0.015 0.000 1.055 250 N CB -0.031 38.469 38.487 0.021 0.000 1.393 250 N HN 0.656 nan 8.380 nan 0.000 0.514 251 M N 1.891 121.513 119.600 0.036 0.000 2.518 251 M HA 0.656 5.136 4.480 0.000 0.000 0.300 251 M C -3.069 173.256 176.300 0.041 0.000 1.175 251 M CA -1.760 53.569 55.300 0.049 0.000 0.890 251 M CB 1.839 34.477 32.600 0.064 0.000 1.710 251 M HN 0.072 nan 8.290 nan 0.000 0.453 252 P HA 0.305 nan 4.420 nan 0.000 0.278 252 P C 0.212 177.534 177.300 0.036 0.000 1.238 252 P CA -0.064 63.055 63.100 0.032 0.000 0.794 252 P CB 0.736 32.453 31.700 0.027 0.000 0.955 253 T N 1.691 116.264 114.554 0.032 0.000 2.822 253 T HA -0.162 4.188 4.350 0.000 0.000 0.270 253 T C 1.674 176.395 174.700 0.035 0.000 1.064 253 T CA 1.109 63.230 62.100 0.034 0.000 1.131 253 T CB -0.442 68.443 68.868 0.029 0.000 0.858 253 T HN 0.307 nan 8.240 nan 0.000 0.483 254 L N 1.918 123.159 121.223 0.030 0.000 2.042 254 L HA -0.021 4.319 4.340 0.000 0.000 0.210 254 L C 0.936 177.827 176.870 0.035 0.000 1.076 254 L CA 1.400 56.257 54.840 0.029 0.000 0.749 254 L CB -0.155 41.918 42.059 0.023 0.000 0.893 254 L HN 0.253 nan 8.230 nan 0.000 0.432 255 V N -1.761 118.178 119.914 0.042 0.000 2.383 255 V HA 0.411 4.531 4.120 0.000 0.000 0.261 255 V C -0.909 175.224 176.094 0.065 0.000 0.987 255 V CA -0.212 62.119 62.300 0.052 0.000 0.853 255 V CB 0.214 32.068 31.823 0.052 0.000 1.095 255 V HN 0.406 nan 8.190 nan 0.000 0.461 256 D N 1.004 121.443 120.400 0.066 0.000 2.738 256 D HA 0.250 4.890 4.640 0.000 0.000 0.246 256 D C 0.390 176.748 176.300 0.097 0.000 1.270 256 D CA -0.353 53.694 54.000 0.078 0.000 0.833 256 D CB 0.397 41.239 40.800 0.070 0.000 1.040 256 D HN 0.616 nan 8.370 nan 0.000 0.487 257 Q N 0.378 120.238 119.800 0.100 0.000 2.407 257 Q HA 0.632 4.972 4.340 0.000 0.000 0.214 257 Q C 0.753 176.842 176.000 0.149 0.000 1.043 257 Q CA -0.342 55.531 55.803 0.117 0.000 0.983 257 Q CB 0.752 29.550 28.738 0.100 0.000 1.211 257 Q HN 0.330 nan 8.270 nan 0.000 0.564 258 G N -0.520 108.396 108.800 0.193 0.000 2.521 258 G HA2 0.215 4.175 3.960 0.000 0.000 0.589 258 G HA3 0.215 4.175 3.960 0.000 0.000 0.589 258 G C -2.020 173.101 174.900 0.368 0.000 1.501 258 G CA -1.050 44.205 45.100 0.258 0.000 0.887 258 G HN 0.384 nan 8.290 nan 0.000 0.654 259 F N 3.387 123.491 119.950 0.256 0.000 2.576 259 F HA 0.925 5.452 4.527 0.000 0.000 0.313 259 F C -0.328 175.690 175.800 0.363 0.000 1.078 259 F CA -0.791 57.353 58.000 0.241 0.000 0.921 259 F CB 1.607 40.733 39.000 0.209 0.000 1.232 259 F HN 0.774 nan 8.300 nan 0.000 0.459 260 W N 6.405 127.497 121.300 -0.347 0.000 3.031 260 W HA 0.813 5.473 4.660 0.000 0.000 0.337 260 W C -2.297 173.899 176.519 -0.539 0.000 1.187 260 W CA -1.285 55.832 57.345 -0.379 0.000 1.166 260 W CB 1.004 30.032 29.460 -0.720 0.000 1.437 260 W HN 0.420 nan 8.180 nan 0.000 0.551 261 I N 1.458 121.865 120.570 -0.271 0.000 2.769 261 I HA 0.778 4.948 4.170 0.000 0.000 0.298 261 I C 0.026 176.097 176.117 -0.077 0.000 1.128 261 I CA -0.829 60.241 61.300 -0.383 0.000 1.031 261 I CB 2.510 40.160 38.000 -0.584 0.000 1.235 261 I HN 0.683 nan 8.210 nan 0.000 0.423 262 G N 1.990 110.756 108.800 -0.057 0.000 2.690 262 G HA2 0.827 4.787 3.960 0.000 0.000 0.291 262 G HA3 0.827 4.787 3.960 0.000 0.000 0.291 262 G C -1.286 173.539 174.900 -0.125 0.000 1.403 262 G CA -0.708 44.350 45.100 -0.070 0.000 0.864 262 G HN 0.984 nan 8.290 nan 0.000 0.480 263 G N -0.902 107.784 108.800 -0.190 0.000 2.387 263 G HA2 0.533 4.493 3.960 0.000 0.000 0.294 263 G HA3 0.533 4.493 3.960 0.000 0.000 0.294 263 G C -2.053 172.608 174.900 -0.398 0.000 1.509 263 G CA -0.862 44.091 45.100 -0.244 0.000 0.806 263 G HN 0.775 nan 8.290 nan 0.000 0.546 264 H N -0.903 117.894 119.070 -0.455 0.000 2.499 264 H HA 0.732 5.288 4.556 0.000 0.000 0.340 264 H C -1.050 173.892 175.328 -0.645 0.000 1.148 264 H CA -0.087 55.730 56.048 -0.386 0.000 1.215 264 H CB 1.653 31.231 29.762 -0.307 0.000 1.529 264 H HN 0.491 nan 8.280 nan 0.000 0.510 265 Y N -0.483 119.826 120.300 0.015 0.000 2.545 265 Y HA 0.545 5.095 4.550 0.000 0.000 0.348 265 Y C -0.322 175.607 175.900 0.049 0.000 1.002 265 Y CA -1.352 56.758 58.100 0.015 0.000 1.039 265 Y CB 1.803 40.253 38.460 -0.016 0.000 1.271 265 Y HN 0.728 nan 8.280 nan 0.000 0.467 266 A N 3.807 126.736 122.820 0.182 0.000 2.880 266 A HA 0.601 4.921 4.320 0.000 0.000 0.328 266 A C -1.073 176.605 177.584 0.157 0.000 1.440 266 A CA -0.405 51.718 52.037 0.142 0.000 1.068 266 A CB -1.000 18.054 19.000 0.089 0.000 1.163 266 A HN 0.680 nan 8.150 nan 0.000 0.510 267 L N 1.801 123.134 121.223 0.184 0.000 2.272 267 L HA 0.483 4.823 4.340 0.000 0.000 0.289 267 L C 0.009 176.991 176.870 0.186 0.000 1.032 267 L CA -0.212 54.742 54.840 0.189 0.000 0.810 267 L CB 1.707 43.906 42.059 0.233 0.000 1.205 267 L HN 0.395 nan 8.230 nan 0.000 0.422 268 T N 3.697 118.334 114.554 0.139 0.000 2.829 268 T HA 0.494 4.844 4.350 0.000 0.000 0.280 268 T C -2.378 172.372 174.700 0.083 0.000 0.999 268 T CA -1.078 61.086 62.100 0.107 0.000 0.983 268 T CB 2.108 71.020 68.868 0.074 0.000 0.968 268 T HN 0.402 nan 8.240 nan 0.000 0.446 269 P HA 0.561 nan 4.420 nan 0.000 0.278 269 P C -0.995 176.306 177.300 0.003 0.000 1.266 269 P CA -0.632 62.477 63.100 0.016 0.000 0.807 269 P CB 1.263 32.950 31.700 -0.021 0.000 1.094 270 I N 0.300 120.861 120.570 -0.015 0.000 2.447 270 I HA 0.366 4.536 4.170 0.000 0.000 0.287 270 I C -0.027 176.070 176.117 -0.034 0.000 1.023 270 I CA -1.045 60.246 61.300 -0.015 0.000 1.083 270 I CB 1.928 39.924 38.000 -0.006 0.000 1.245 270 I HN 0.346 nan 8.210 nan 0.000 0.434 271 A N 4.947 127.748 122.820 -0.033 0.000 2.309 271 A HA 0.656 4.976 4.320 0.000 0.000 0.290 271 A C 0.207 177.767 177.584 -0.041 0.000 1.206 271 A CA -0.165 51.846 52.037 -0.042 0.000 0.850 271 A CB 0.201 19.181 19.000 -0.034 0.000 1.118 271 A HN 0.731 nan 8.150 nan 0.000 0.523 272 T N -0.673 113.849 114.554 -0.053 0.000 2.910 272 T HA 0.656 5.006 4.350 0.000 0.000 0.287 272 T C 0.165 174.824 174.700 -0.069 0.000 1.050 272 T CA -0.423 61.645 62.100 -0.054 0.000 1.011 272 T CB 1.405 70.241 68.868 -0.053 0.000 1.195 272 T HN 0.575 nan 8.240 nan 0.000 0.540 273 T N 0.329 114.837 114.554 -0.076 0.000 2.869 273 T HA 0.209 4.559 4.350 0.000 0.000 0.295 273 T C 0.919 175.540 174.700 -0.132 0.000 0.987 273 T CA -0.300 61.740 62.100 -0.099 0.000 1.109 273 T CB 0.991 69.801 68.868 -0.096 0.000 0.932 273 T HN 0.811 nan 8.240 nan 0.000 0.518 274 Q N 3.086 122.784 119.800 -0.171 0.000 2.398 274 Q HA 0.055 4.395 4.340 0.000 0.000 0.204 274 Q C 0.369 176.206 176.000 -0.272 0.000 0.932 274 Q CA 0.508 56.185 55.803 -0.209 0.000 0.916 274 Q CB 0.157 28.755 28.738 -0.233 0.000 1.024 274 Q HN 0.800 nan 8.270 nan 0.000 0.504 275 N N -0.974 117.546 118.700 -0.301 0.000 3.418 275 N HA 0.477 5.217 4.740 0.000 0.000 0.316 275 N C -1.769 173.553 175.510 -0.313 0.000 1.601 275 N CA -0.511 52.320 53.050 -0.364 0.000 0.805 275 N CB 0.696 38.895 38.487 -0.480 0.000 1.873 275 N HN -0.004 nan 8.380 nan 0.000 0.615 276 A N -0.135 122.439 122.820 -0.410 0.000 2.318 276 A HA 0.585 4.905 4.320 0.000 0.000 0.317 276 A C 0.739 178.256 177.584 -0.111 0.000 1.159 276 A CA -0.781 51.086 52.037 -0.284 0.000 0.799 276 A CB 0.789 19.543 19.000 -0.411 0.000 1.194 276 A HN 0.468 nan 8.150 nan 0.000 0.479 277 V N 1.676 121.589 119.914 -0.002 0.000 2.490 277 V HA -0.101 4.019 4.120 0.000 0.000 0.250 277 V C 0.931 177.131 176.094 0.177 0.000 1.061 277 V CA 2.410 64.752 62.300 0.070 0.000 1.064 277 V CB -1.190 30.654 31.823 0.035 0.000 0.670 277 V HN 0.975 nan 8.190 nan 0.000 0.461 278 E N -2.131 118.214 120.200 0.241 0.000 2.407 278 E HA 0.618 4.968 4.350 0.000 0.000 0.279 278 E C -0.376 176.395 176.600 0.286 0.000 1.012 278 E CA -0.312 56.220 56.400 0.219 0.000 0.800 278 E CB 2.023 31.766 29.700 0.072 0.000 1.276 278 E HN 0.200 nan 8.360 nan 0.000 0.452 279 G N 0.293 109.065 108.800 -0.046 0.000 2.357 279 G HA2 0.360 4.320 3.960 0.000 0.000 0.289 279 G HA3 0.360 4.320 3.960 0.000 0.000 0.289 279 G C -1.198 173.315 174.900 -0.646 0.000 1.302 279 G CA -0.336 44.689 45.100 -0.126 0.000 0.936 279 G HN 1.178 nan 8.290 nan 0.000 0.513 280 S N -1.670 113.782 115.700 -0.413 0.000 2.599 280 S HA 0.831 5.301 4.470 0.000 0.000 0.287 280 S C 0.737 175.207 174.600 -0.216 0.000 1.105 280 S CA 0.318 58.239 58.200 -0.465 0.000 0.899 280 S CB 1.822 64.860 63.200 -0.271 0.000 1.100 280 S HN 2.887 nan 8.310 nan 0.000 0.482 281 G N 0.137 108.831 108.800 -0.177 0.000 2.130 281 G HA2 -0.161 3.799 3.960 0.000 0.000 0.216 281 G HA3 -0.161 3.799 3.960 0.000 0.000 0.216 281 G C -0.318 174.663 174.900 0.135 0.000 0.999 281 G CA -0.519 44.552 45.100 -0.048 0.000 0.686 281 G HN 0.526 nan 8.290 nan 0.000 0.515 282 F N 0.615 120.516 119.950 -0.082 0.000 2.506 282 F HA 0.486 5.013 4.527 0.000 0.000 0.351 282 F C 1.356 177.086 175.800 -0.118 0.000 1.136 282 F CA -1.004 56.926 58.000 -0.117 0.000 1.298 282 F CB 0.795 39.713 39.000 -0.137 0.000 1.145 282 F HN 0.323 nan 8.300 nan 0.000 0.593 283 V N 0.982 120.904 119.914 0.014 0.000 2.785 283 V HA 0.406 4.526 4.120 0.000 0.000 0.300 283 V C -0.324 175.717 176.094 -0.089 0.000 1.062 283 V CA -0.514 61.822 62.300 0.061 0.000 1.029 283 V CB 1.389 33.264 31.823 0.086 0.000 1.024 283 V HN 0.730 nan 8.190 nan 0.000 0.477 284 H N 2.409 121.689 119.070 0.351 0.000 2.538 284 H HA 0.382 4.938 4.556 0.000 0.000 0.239 284 H C -2.840 172.856 175.328 0.612 0.000 1.401 284 H CA -1.343 54.910 56.048 0.341 0.000 1.499 284 H CB 1.536 31.370 29.762 0.120 0.000 1.624 284 H HN 0.570 nan 8.280 nan 0.000 0.524 285 P HA -0.022 nan 4.420 nan 0.000 0.268 285 P C -0.377 177.310 177.300 0.645 0.000 1.205 285 P CA 0.119 63.575 63.100 0.593 0.000 0.771 285 P CB 0.448 32.358 31.700 0.349 0.000 0.858 286 F N 3.829 124.034 119.950 0.425 0.000 2.411 286 F HA 0.429 4.956 4.527 0.000 0.000 0.352 286 F C -0.135 175.747 175.800 0.137 0.000 1.123 286 F CA -0.395 57.675 58.000 0.117 0.000 1.044 286 F CB 0.620 39.479 39.000 -0.236 0.000 1.135 286 F HN 0.172 nan 8.300 nan 0.000 0.461 287 N N 5.209 123.690 118.700 -0.365 0.000 2.284 287 N HA 0.465 5.205 4.740 0.000 0.000 0.300 287 N C -1.991 173.332 175.510 -0.312 0.000 1.047 287 N CA -0.345 52.593 53.050 -0.187 0.000 0.821 287 N CB 2.368 40.823 38.487 -0.052 0.000 1.337 287 N HN 0.419 nan 8.380 nan 0.000 0.482 288 V N 2.345 122.213 119.914 -0.077 0.000 2.417 288 V HA 0.404 4.524 4.120 0.000 0.000 0.291 288 V C -0.090 176.043 176.094 0.065 0.000 1.024 288 V CA -0.443 61.860 62.300 0.005 0.000 0.861 288 V CB 1.413 33.319 31.823 0.139 0.000 0.985 288 V HN 0.646 nan 8.190 nan 0.000 0.436 289 T N 5.162 119.754 114.554 0.064 0.000 2.772 289 T HA 0.455 4.805 4.350 0.000 0.000 0.288 289 T C -0.112 174.673 174.700 0.140 0.000 0.994 289 T CA -0.485 61.678 62.100 0.105 0.000 0.951 289 T CB 0.924 69.822 68.868 0.050 0.000 0.933 289 T HN 0.613 nan 8.240 nan 0.000 0.447 290 R N 4.601 125.221 120.500 0.201 0.000 2.332 290 R HA 0.347 4.687 4.340 0.000 0.000 0.306 290 R C -2.179 174.260 176.300 0.231 0.000 1.117 290 R CA -1.966 54.237 56.100 0.171 0.000 1.108 290 R CB 0.481 30.873 30.300 0.153 0.000 1.126 290 R HN 0.270 nan 8.270 nan 0.000 0.548 291 P HA -0.146 nan 4.420 nan 0.000 0.216 291 P C 0.213 177.592 177.300 0.131 0.000 1.157 291 P CA 1.635 64.908 63.100 0.289 0.000 0.880 291 P CB 0.346 32.136 31.700 0.149 0.000 0.791 292 G N -2.602 106.221 108.800 0.038 0.000 3.310 292 G HA2 0.331 4.291 3.960 0.000 0.000 0.174 292 G HA3 0.331 4.291 3.960 0.000 0.000 0.174 292 G C 0.209 175.104 174.900 -0.008 0.000 1.097 292 G CA -0.192 44.898 45.100 -0.017 0.000 0.795 292 G HN -0.080 nan 8.290 nan 0.000 0.670 293 I N 1.762 122.330 120.570 -0.002 0.000 2.927 293 I HA 0.344 4.514 4.170 0.000 0.000 0.268 293 I C 2.017 178.152 176.117 0.031 0.000 1.153 293 I CA 0.386 61.697 61.300 0.020 0.000 1.459 293 I CB -0.246 37.771 38.000 0.029 0.000 1.149 293 I HN 0.424 nan 8.210 nan 0.000 0.443 294 A N 0.352 123.177 122.820 0.008 0.000 2.387 294 A HA 0.402 4.722 4.320 0.000 0.000 0.251 294 A C 1.761 179.348 177.584 0.005 0.000 1.113 294 A CA 0.527 52.566 52.037 0.004 0.000 0.794 294 A CB -0.176 18.746 19.000 -0.130 0.000 1.069 294 A HN 0.352 nan 8.150 nan 0.000 0.506 295 A N 0.418 123.261 122.820 0.038 0.000 2.121 295 A HA 0.334 4.654 4.320 0.000 0.000 0.218 295 A C 1.534 179.121 177.584 0.005 0.000 1.154 295 A CA 1.014 53.106 52.037 0.092 0.000 0.679 295 A CB -1.333 17.770 19.000 0.172 0.000 0.795 295 A HN 1.882 nan 8.150 nan 0.000 0.458 296 G N -0.661 108.011 108.800 -0.214 0.000 2.257 296 G HA2 0.346 4.306 3.960 0.000 0.000 0.235 296 G HA3 0.346 4.306 3.960 0.000 0.000 0.235 296 G C -0.471 174.231 174.900 -0.331 0.000 1.225 296 G CA 0.626 45.405 45.100 -0.536 0.000 0.878 296 G HN 0.580 nan 8.290 nan 0.000 0.505 297 V N 1.558 121.224 119.914 -0.412 0.000 3.147 297 V HA 0.553 4.673 4.120 0.000 0.000 0.299 297 V C -0.250 175.889 176.094 0.075 0.000 1.302 297 V CA -0.777 61.507 62.300 -0.028 0.000 1.015 297 V CB 2.867 34.801 31.823 0.186 0.000 1.086 297 V HN 0.892 nan 8.190 nan 0.000 0.437 298 T N 5.301 119.915 114.554 0.100 0.000 2.809 298 T HA 0.588 4.938 4.350 0.000 0.000 0.296 298 T C -0.565 174.170 174.700 0.058 0.000 1.015 298 T CA -0.243 61.913 62.100 0.093 0.000 0.954 298 T CB 0.555 69.433 68.868 0.017 0.000 0.950 298 T HN 0.370 nan 8.240 nan 0.000 0.450 299 L N 3.265 124.534 121.223 0.076 0.000 2.276 299 L HA 0.643 4.983 4.340 0.000 0.000 0.286 299 L C 0.622 177.365 176.870 -0.210 0.000 1.061 299 L CA -0.573 54.182 54.840 -0.141 0.000 0.807 299 L CB 1.236 43.251 42.059 -0.072 0.000 1.177 299 L HN 0.550 nan 8.230 nan 0.000 0.429 300 T N 2.163 116.487 114.554 -0.383 0.000 2.949 300 T HA 0.264 4.614 4.350 0.000 0.000 0.300 300 T C -1.558 173.085 174.700 -0.095 0.000 0.988 300 T CA -0.387 61.626 62.100 -0.146 0.000 0.993 300 T CB 0.667 69.490 68.868 -0.075 0.000 0.984 300 T HN 0.469 nan 8.240 nan 0.000 0.442 301 W N 6.366 127.689 121.300 0.037 0.000 2.295 301 W HA 0.682 5.342 4.660 0.000 0.000 0.333 301 W C 0.287 176.901 176.519 0.158 0.000 0.990 301 W CA -1.972 55.434 57.345 0.101 0.000 1.453 301 W CB -0.250 29.240 29.460 0.050 0.000 1.263 301 W HN 0.961 nan 8.180 nan 0.000 0.380 302 A N 4.185 127.262 122.820 0.429 0.000 2.583 302 A HA 0.203 4.523 4.320 0.000 0.000 0.249 302 A C 1.322 179.111 177.584 0.343 0.000 1.035 302 A CA 1.771 53.999 52.037 0.318 0.000 0.777 302 A CB -0.005 19.164 19.000 0.283 0.000 0.942 302 A HN 1.128 nan 8.150 nan 0.000 0.516 303 S N -0.120 115.761 115.700 0.300 0.000 3.011 303 S HA -0.166 4.304 4.470 0.000 0.000 0.278 303 S C 0.481 175.258 174.600 0.295 0.000 1.300 303 S CA 1.592 59.998 58.200 0.343 0.000 1.248 303 S CB -1.435 62.010 63.200 0.408 0.000 1.517 303 S HN 0.770 nan 8.310 nan 0.000 0.685 304 M N 1.992 121.636 119.600 0.073 0.000 2.211 304 M HA 0.259 4.739 4.480 0.000 0.000 0.356 304 M C -2.150 174.116 176.300 -0.058 0.000 1.216 304 M CA -2.324 52.813 55.300 -0.271 0.000 1.134 304 M CB -0.490 31.650 32.600 -0.767 0.000 1.564 304 M HN -0.061 nan 8.290 nan 0.000 0.463 305 P HA 0.076 nan 4.420 nan 0.000 0.263 305 P C -2.579 174.850 177.300 0.213 0.000 1.195 305 P CA -0.743 62.380 63.100 0.038 0.000 0.762 305 P CB -0.661 31.014 31.700 -0.042 0.000 0.799 306 P HA 0.192 nan 4.420 nan 0.000 0.268 306 P C 0.392 177.900 177.300 0.347 0.000 1.204 306 P CA 0.735 63.973 63.100 0.230 0.000 0.768 306 P CB 0.546 32.276 31.700 0.048 0.000 0.842 307 G N 0.102 109.235 108.800 0.555 0.000 2.317 307 G HA2 0.565 4.525 3.960 0.000 0.000 0.293 307 G HA3 0.565 4.525 3.960 0.000 0.000 0.293 307 G C -0.629 174.821 174.900 0.917 0.000 1.287 307 G CA 0.478 45.940 45.100 0.603 0.000 0.850 307 G HN 0.807 nan 8.290 nan 0.000 0.515 308 G N -1.786 107.440 108.800 0.710 0.000 2.603 308 G HA2 0.472 4.432 3.960 0.000 0.000 0.686 308 G HA3 0.472 4.432 3.960 0.000 0.000 0.686 308 G C -0.473 174.702 174.900 0.457 0.000 1.286 308 G CA 0.471 45.939 45.100 0.612 0.000 0.871 308 G HN 1.811 nan 8.290 nan 0.000 0.568 309 S N -0.902 114.901 115.700 0.172 0.000 2.569 309 S HA 0.992 5.462 4.470 0.000 0.000 0.280 309 S C 0.073 174.647 174.600 -0.043 0.000 1.111 309 S CA 0.271 58.561 58.200 0.151 0.000 0.887 309 S CB 1.821 65.106 63.200 0.141 0.000 1.095 309 S HN 2.189 nan 8.310 nan 0.000 0.476 310 A N 2.342 125.211 122.820 0.082 0.000 2.515 310 A HA 0.877 5.197 4.320 0.000 0.000 0.298 310 A C -3.000 174.684 177.584 0.167 0.000 1.059 310 A CA -1.559 50.528 52.037 0.082 0.000 0.698 310 A CB 0.210 19.295 19.000 0.141 0.000 1.289 310 A HN 0.570 nan 8.150 nan 0.000 0.404 311 P HA 0.255 nan 4.420 nan 0.000 0.271 311 P C 0.231 177.617 177.300 0.143 0.000 1.233 311 P CA 0.000 63.177 63.100 0.127 0.000 0.795 311 P CB 0.512 32.280 31.700 0.113 0.000 0.936 312 S N -1.076 114.688 115.700 0.107 0.000 2.730 312 S HA 0.730 5.200 4.470 0.000 0.000 0.284 312 S C 0.323 174.970 174.600 0.078 0.000 1.153 312 S CA 0.435 58.694 58.200 0.098 0.000 0.995 312 S CB 0.390 63.637 63.200 0.079 0.000 1.058 312 S HN 0.871 nan 8.310 nan 0.000 0.552 313 G N 1.018 109.857 108.800 0.065 0.000 2.395 313 G HA2 0.186 4.146 3.960 0.000 0.000 0.201 313 G HA3 0.186 4.146 3.960 0.000 0.000 0.201 313 G C -1.422 173.501 174.900 0.039 0.000 1.206 313 G CA 0.228 45.357 45.100 0.047 0.000 1.210 313 G HN 1.321 nan 8.290 nan 0.000 0.557 314 D N -0.036 120.377 120.400 0.023 0.000 2.712 314 D HA 0.388 5.028 4.640 0.000 0.000 0.231 314 D C -3.137 173.164 176.300 0.001 0.000 1.105 314 D CA -0.442 53.564 54.000 0.010 0.000 0.762 314 D CB 0.159 40.976 40.800 0.029 0.000 2.410 314 D HN 0.497 nan 8.370 nan 0.000 0.467 315 P HA 0.499 nan 4.420 nan 0.000 0.265 315 P C -1.020 176.199 177.300 -0.135 0.000 1.193 315 P CA -0.165 62.892 63.100 -0.072 0.000 0.765 315 P CB 0.638 32.262 31.700 -0.128 0.000 0.823 316 A N 2.765 125.538 122.820 -0.078 0.000 2.343 316 A HA 0.464 4.784 4.320 0.000 0.000 0.308 316 A C -1.120 176.502 177.584 0.064 0.000 1.092 316 A CA -0.752 51.280 52.037 -0.009 0.000 0.751 316 A CB 0.484 19.532 19.000 0.080 0.000 1.203 316 A HN 0.542 nan 8.150 nan 0.000 0.452 317 W N 2.218 123.624 121.300 0.177 0.000 2.223 317 W HA 0.378 5.038 4.660 0.000 0.000 0.334 317 W C 0.013 176.781 176.519 0.414 0.000 1.334 317 W CA 0.265 57.794 57.345 0.307 0.000 1.246 317 W CB 0.396 30.014 29.460 0.264 0.000 1.184 317 W HN 0.291 nan 8.180 nan 0.000 0.563 318 I N 5.665 126.594 120.570 0.599 0.000 2.466 318 I HA 0.214 4.384 4.170 0.000 0.000 0.289 318 I C -2.024 173.958 176.117 -0.225 0.000 1.026 318 I CA -3.232 58.191 61.300 0.205 0.000 1.078 318 I CB 1.495 39.534 38.000 0.064 0.000 1.249 318 I HN 0.098 nan 8.210 nan 0.000 0.429 319 P HA 0.076 nan 4.420 nan 0.000 0.267 319 P C -0.299 176.596 177.300 -0.674 0.000 1.205 319 P CA 0.272 62.487 63.100 -1.476 0.000 0.765 319 P CB 1.273 32.216 31.700 -1.261 0.000 0.828 320 D N 0.947 120.995 120.400 -0.587 0.000 2.623 320 D HA 0.210 4.850 4.640 0.000 0.000 0.252 320 D C -0.655 175.486 176.300 -0.266 0.000 1.294 320 D CA -0.256 53.552 54.000 -0.320 0.000 0.824 320 D CB 0.232 40.907 40.800 -0.209 0.000 1.070 320 D HN 0.227 nan 8.370 nan 0.000 0.487 321 S N -1.618 113.902 115.700 -0.300 0.000 2.556 321 S HA 0.263 4.733 4.470 0.000 0.000 0.280 321 S C 0.529 175.019 174.600 -0.184 0.000 1.141 321 S CA -0.151 57.926 58.200 -0.206 0.000 0.883 321 S CB 0.780 63.877 63.200 -0.172 0.000 1.103 321 S HN 0.081 nan 8.310 nan 0.000 0.453 322 T N -0.404 114.070 114.554 -0.133 0.000 3.040 322 T HA 0.131 4.481 4.350 0.000 0.000 0.250 322 T C 1.334 175.980 174.700 -0.089 0.000 1.058 322 T CA 1.026 63.065 62.100 -0.102 0.000 0.988 322 T CB -0.295 68.523 68.868 -0.083 0.000 0.993 322 T HN 0.757 nan 8.240 nan 0.000 0.519 323 T N -0.871 113.617 114.554 -0.110 0.000 3.023 323 T HA 0.315 4.665 4.350 0.000 0.000 0.253 323 T C 0.393 175.010 174.700 -0.138 0.000 1.038 323 T CA -0.257 61.759 62.100 -0.140 0.000 0.962 323 T CB -0.117 68.630 68.868 -0.201 0.000 1.018 323 T HN 0.760 nan 8.240 nan 0.000 0.521 324 Q N -0.374 119.376 119.800 -0.083 0.000 2.776 324 Q HA 0.402 4.742 4.340 0.000 0.000 0.289 324 Q C -1.596 174.429 176.000 0.042 0.000 0.912 324 Q CA -1.149 54.649 55.803 -0.009 0.000 0.789 324 Q CB 0.091 28.817 28.738 -0.020 0.000 1.498 324 Q HN 0.084 nan 8.270 nan 0.000 0.408 325 F N 2.111 122.056 119.950 -0.007 0.000 2.571 325 F HA 0.175 4.702 4.527 0.000 0.000 0.390 325 F C -0.380 175.445 175.800 0.042 0.000 1.043 325 F CA 1.183 59.202 58.000 0.031 0.000 1.164 325 F CB 0.422 39.412 39.000 -0.016 0.000 1.049 325 F HN 0.578 nan 8.300 nan 0.000 0.552 326 Q N 6.168 125.678 119.800 -0.483 0.000 2.380 326 Q HA 0.213 4.553 4.340 0.000 0.000 0.245 326 Q C -2.105 173.623 176.000 -0.452 0.000 0.893 326 Q CA -0.593 55.004 55.803 -0.343 0.000 0.922 326 Q CB 0.933 29.561 28.738 -0.183 0.000 1.432 326 Q HN 0.744 nan 8.270 nan 0.000 0.434 327 W N 3.005 124.046 121.300 -0.432 0.000 2.781 327 W HA 0.673 5.333 4.660 0.000 0.000 0.345 327 W C -0.053 176.516 176.519 0.083 0.000 1.085 327 W CA -0.450 56.788 57.345 -0.178 0.000 1.198 327 W CB 1.518 30.847 29.460 -0.219 0.000 1.423 327 W HN 0.622 nan 8.180 nan 0.000 0.532 328 R N 1.150 121.908 120.500 0.429 0.000 2.752 328 R HA 0.686 5.026 4.340 0.000 0.000 0.271 328 R C -1.371 175.102 176.300 0.288 0.000 1.026 328 R CA -0.884 55.416 56.100 0.333 0.000 0.901 328 R CB 2.468 32.817 30.300 0.081 0.000 1.243 328 R HN 0.639 nan 8.270 nan 0.000 0.463 329 H N -1.057 117.989 119.070 -0.040 0.000 3.079 329 H HA 0.361 4.917 4.556 0.000 0.000 0.356 329 H C -1.219 173.994 175.328 -0.192 0.000 1.221 329 H CA -0.477 55.444 56.048 -0.212 0.000 1.185 329 H CB 2.212 31.613 29.762 -0.602 0.000 1.882 329 H HN 0.864 nan 8.280 nan 0.000 0.543 330 G N 1.319 109.964 108.800 -0.258 0.000 3.575 330 G HA2 0.268 4.228 3.960 0.000 0.000 0.273 330 G HA3 0.268 4.228 3.960 0.000 0.000 0.273 330 G C 0.578 175.324 174.900 -0.257 0.000 1.053 330 G CA -0.014 44.893 45.100 -0.322 0.000 0.803 330 G HN 0.835 nan 8.290 nan 0.000 0.528 331 G N -0.077 108.735 108.800 0.020 0.000 2.432 331 G HA2 0.295 4.255 3.960 0.000 0.000 0.239 331 G HA3 0.295 4.255 3.960 0.000 0.000 0.239 331 G C 0.533 175.432 174.900 -0.001 0.000 1.291 331 G CA -0.451 44.691 45.100 0.069 0.000 0.863 331 G HN 0.105 nan 8.290 nan 0.000 0.560 332 F N -0.008 119.961 119.950 0.031 0.000 2.333 332 F HA 0.049 4.576 4.527 0.000 0.000 0.300 332 F C 1.298 177.123 175.800 0.041 0.000 1.083 332 F CA 1.086 59.101 58.000 0.024 0.000 1.395 332 F CB 0.202 39.210 39.000 0.013 0.000 1.056 332 F HN 0.270 nan 8.300 nan 0.000 0.529 333 D N -0.922 119.604 120.400 0.209 0.000 2.732 333 D HA 0.470 5.110 4.640 0.000 0.000 0.229 333 D C -0.671 175.666 176.300 0.061 0.000 1.152 333 D CA -0.596 53.481 54.000 0.129 0.000 0.854 333 D CB 1.892 42.750 40.800 0.097 0.000 1.590 333 D HN -0.057 nan 8.370 nan 0.000 0.468 334 A N 2.953 125.786 122.820 0.022 0.000 2.587 334 A HA 0.325 4.645 4.320 0.000 0.000 0.235 334 A C -2.205 175.230 177.584 -0.249 0.000 1.044 334 A CA -0.329 51.620 52.037 -0.147 0.000 0.754 334 A CB -0.436 18.556 19.000 -0.013 0.000 0.968 334 A HN 0.360 nan 8.150 nan 0.000 0.509 335 P HA 0.173 nan 4.420 nan 0.000 0.275 335 P C 1.111 178.361 177.300 -0.085 0.000 1.228 335 P CA 0.202 63.087 63.100 -0.358 0.000 0.786 335 P CB 0.720 32.001 31.700 -0.699 0.000 0.927 336 T N -0.919 113.624 114.554 -0.018 0.000 2.942 336 T HA 0.048 4.398 4.350 0.000 0.000 0.265 336 T C 1.223 175.980 174.700 0.094 0.000 1.062 336 T CA 0.603 62.727 62.100 0.039 0.000 1.139 336 T CB -1.014 67.871 68.868 0.029 0.000 0.883 336 T HN 0.457 nan 8.240 nan 0.000 0.468 337 G N 0.665 109.540 108.800 0.124 0.000 2.712 337 G HA2 0.460 4.420 3.960 0.000 0.000 0.258 337 G HA3 0.460 4.420 3.960 0.000 0.000 0.258 337 G C -0.955 174.114 174.900 0.281 0.000 1.241 337 G CA -0.344 44.869 45.100 0.187 0.000 0.923 337 G HN 0.415 nan 8.290 nan 0.000 0.548 338 V N -0.025 119.988 119.914 0.166 0.000 2.971 338 V HA 0.347 4.467 4.120 0.000 0.000 0.309 338 V C -0.274 175.733 176.094 -0.144 0.000 1.130 338 V CA -0.625 61.684 62.300 0.015 0.000 0.964 338 V CB 2.155 33.969 31.823 -0.016 0.000 1.029 338 V HN 0.621 nan 8.190 nan 0.000 0.427 339 I N 3.339 123.687 120.570 -0.371 0.000 2.325 339 I HA 0.375 4.545 4.170 0.000 0.000 0.291 339 I C 0.372 176.395 176.117 -0.158 0.000 1.019 339 I CA -0.081 60.966 61.300 -0.422 0.000 1.302 339 I CB 1.567 39.093 38.000 -0.789 0.000 1.401 339 I HN 0.732 nan 8.210 nan 0.000 0.485 340 T N 3.116 117.611 114.554 -0.098 0.000 2.795 340 T HA 0.495 4.845 4.350 0.000 0.000 0.282 340 T C -0.884 173.904 174.700 0.147 0.000 0.980 340 T CA -0.716 61.377 62.100 -0.011 0.000 1.012 340 T CB 1.378 70.235 68.868 -0.019 0.000 0.936 340 T HN 0.432 nan 8.240 nan 0.000 0.457 341 Y N 2.283 122.592 120.300 0.015 0.000 2.396 341 Y HA 0.483 5.033 4.550 0.000 0.000 0.332 341 Y C -0.418 175.506 175.900 0.040 0.000 1.034 341 Y CA -0.781 57.384 58.100 0.110 0.000 1.057 341 Y CB 1.878 40.497 38.460 0.265 0.000 1.220 341 Y HN 1.012 nan 8.280 nan 0.000 0.440 342 T N 4.967 119.326 114.554 -0.326 0.000 2.767 342 T HA 0.469 4.819 4.350 0.000 0.000 0.284 342 T C -0.166 174.229 174.700 -0.509 0.000 0.973 342 T CA -0.847 61.077 62.100 -0.294 0.000 0.996 342 T CB 0.761 69.522 68.868 -0.178 0.000 0.927 342 T HN 0.488 nan 8.240 nan 0.000 0.456 343 I N 4.702 125.109 120.570 -0.272 0.000 2.752 343 I HA 0.122 4.292 4.170 0.000 0.000 0.286 343 I C -1.956 174.036 176.117 -0.208 0.000 1.180 343 I CA -2.229 58.944 61.300 -0.212 0.000 1.404 343 I CB -0.805 37.191 38.000 -0.006 0.000 1.389 343 I HN 0.459 nan 8.210 nan 0.000 0.549 344 P HA 0.160 nan 4.420 nan 0.000 0.271 344 P C -0.117 177.215 177.300 0.053 0.000 1.233 344 P CA -0.446 62.570 63.100 -0.141 0.000 0.789 344 P CB 0.530 32.107 31.700 -0.205 0.000 0.951 345 R N 0.874 121.414 120.500 0.067 0.000 2.537 345 R HA 0.361 4.701 4.340 0.000 0.000 0.280 345 R C 1.174 177.564 176.300 0.149 0.000 1.058 345 R CA 1.048 57.199 56.100 0.084 0.000 1.057 345 R CB -0.507 29.814 30.300 0.036 0.000 0.973 345 R HN 0.884 nan 8.270 nan 0.000 0.438 346 G N 1.722 110.563 108.800 0.067 0.000 2.159 346 G HA2 -0.263 3.697 3.960 0.000 0.000 0.227 346 G HA3 -0.263 3.697 3.960 0.000 0.000 0.227 346 G C -0.697 174.048 174.900 -0.258 0.000 0.986 346 G CA -0.474 44.578 45.100 -0.081 0.000 0.651 346 G HN 0.555 nan 8.290 nan 0.000 0.523 347 Y N 1.319 121.585 120.300 -0.057 0.000 2.555 347 Y HA 0.534 5.084 4.550 0.000 0.000 0.326 347 Y C 0.387 176.284 175.900 -0.005 0.000 0.984 347 Y CA -0.557 57.506 58.100 -0.062 0.000 1.298 347 Y CB 1.562 39.952 38.460 -0.116 0.000 1.094 347 Y HN 0.048 nan 8.280 nan 0.000 0.500 348 T N 5.174 119.778 114.554 0.083 0.000 3.016 348 T HA 0.317 4.667 4.350 0.000 0.000 0.335 348 T C 0.237 175.042 174.700 0.176 0.000 1.176 348 T CA -0.650 61.517 62.100 0.111 0.000 0.987 348 T CB -0.237 68.660 68.868 0.049 0.000 1.073 348 T HN 0.269 nan 8.240 nan 0.000 0.547 349 M N 2.908 122.684 119.600 0.294 0.000 2.250 349 M HA 0.373 4.853 4.480 0.000 0.000 0.344 349 M C 0.310 176.927 176.300 0.528 0.000 1.150 349 M CA -0.104 55.465 55.300 0.448 0.000 1.147 349 M CB 0.254 33.239 32.600 0.642 0.000 1.498 349 M HN 0.479 nan 8.290 nan 0.000 0.461 350 Q N 1.707 121.848 119.800 0.569 0.000 2.359 350 Q HA 0.530 4.870 4.340 0.000 0.000 0.274 350 Q C -1.471 174.943 176.000 0.690 0.000 1.074 350 Q CA -0.821 55.325 55.803 0.571 0.000 0.810 350 Q CB 3.001 31.989 28.738 0.416 0.000 1.342 350 Q HN 0.649 nan 8.270 nan 0.000 0.427 351 Y N -0.547 119.986 120.300 0.388 0.000 2.568 351 Y HA 0.767 5.317 4.550 0.000 0.000 0.327 351 Y C -1.293 174.582 175.900 -0.040 0.000 1.163 351 Y CA -1.516 56.500 58.100 -0.140 0.000 1.219 351 Y CB 0.923 39.026 38.460 -0.594 0.000 1.308 351 Y HN 0.550 nan 8.280 nan 0.000 0.503 352 F N 2.636 122.179 119.950 -0.678 0.000 2.411 352 F HA 0.320 4.847 4.527 0.000 0.000 0.352 352 F C -0.599 174.883 175.800 -0.531 0.000 1.123 352 F CA -1.175 56.165 58.000 -1.100 0.000 1.044 352 F CB 0.877 38.920 39.000 -1.595 0.000 1.135 352 F HN 0.698 nan 8.300 nan 0.000 0.461 353 D N 4.558 124.251 120.400 -1.178 0.000 2.411 353 D HA 0.069 4.709 4.640 0.000 0.000 0.225 353 D C 1.225 176.949 176.300 -0.960 0.000 1.156 353 D CA 0.175 53.766 54.000 -0.682 0.000 0.874 353 D CB 1.421 41.982 40.800 -0.398 0.000 1.034 353 D HN 0.768 nan 8.370 nan 0.000 0.502 354 T N 0.233 114.432 114.554 -0.592 0.000 2.759 354 T HA -0.248 4.102 4.350 0.000 0.000 0.269 354 T C 1.901 176.464 174.700 -0.227 0.000 1.042 354 T CA 2.016 63.914 62.100 -0.337 0.000 1.140 354 T CB -0.609 68.222 68.868 -0.062 0.000 0.864 354 T HN 0.468 nan 8.240 nan 0.000 0.455 355 T N 1.348 115.791 114.554 -0.185 0.000 2.674 355 T HA -0.162 4.188 4.350 0.000 0.000 0.265 355 T C 2.223 176.841 174.700 -0.136 0.000 1.039 355 T CA 2.034 64.064 62.100 -0.117 0.000 1.150 355 T CB -1.488 67.331 68.868 -0.081 0.000 0.864 355 T HN 0.635 nan 8.240 nan 0.000 0.427 356 T N -0.922 113.516 114.554 -0.193 0.000 3.148 356 T HA 0.126 4.476 4.350 0.000 0.000 0.253 356 T C 0.874 175.441 174.700 -0.221 0.000 1.134 356 T CA 0.124 62.120 62.100 -0.174 0.000 1.051 356 T CB -0.806 67.964 68.868 -0.164 0.000 0.959 356 T HN 0.440 nan 8.240 nan 0.000 0.525 357 N N 2.854 121.352 118.700 -0.337 0.000 2.686 357 N HA -0.152 4.588 4.740 0.000 0.000 0.261 357 N C -0.673 174.695 175.510 -0.237 0.000 1.001 357 N CA 1.599 54.470 53.050 -0.298 0.000 0.764 357 N CB -1.048 37.429 38.487 -0.015 0.000 0.898 357 N HN 1.015 nan 8.380 nan 0.000 0.544 358 E N -1.786 118.043 120.200 -0.619 0.000 2.401 358 E HA 0.281 4.631 4.350 0.000 0.000 0.283 358 E C -1.066 175.293 176.600 -0.402 0.000 1.053 358 E CA -0.997 55.272 56.400 -0.219 0.000 0.842 358 E CB 0.228 29.885 29.700 -0.071 0.000 1.222 358 E HN 0.078 nan 8.360 nan 0.000 0.429 359 W N 1.671 123.018 121.300 0.077 0.000 2.137 359 W HA 0.350 5.010 4.660 0.000 0.000 0.344 359 W C 0.378 176.786 176.519 -0.186 0.000 1.286 359 W CA 0.390 57.720 57.345 -0.024 0.000 1.240 359 W CB 0.498 30.009 29.460 0.085 0.000 1.141 359 W HN 0.401 nan 8.180 nan 0.000 0.579 360 N N 0.212 118.857 118.700 -0.093 0.000 2.494 360 N HA 0.314 5.054 4.740 0.000 0.000 0.270 360 N C -0.396 175.167 175.510 0.088 0.000 1.285 360 N CA -0.797 52.195 53.050 -0.098 0.000 0.812 360 N CB 1.312 39.627 38.487 -0.286 0.000 1.557 360 N HN 0.518 nan 8.380 nan 0.000 0.487 361 G N -0.409 108.502 108.800 0.185 0.000 2.554 361 G HA2 0.242 4.202 3.960 0.000 0.000 0.238 361 G HA3 0.242 4.202 3.960 0.000 0.000 0.238 361 G C -0.180 175.001 174.900 0.470 0.000 1.259 361 G CA 0.185 45.452 45.100 0.278 0.000 0.843 361 G HN 0.498 nan 8.290 nan 0.000 0.582 362 F N 1.238 121.397 119.950 0.348 0.000 2.421 362 F HA 0.627 5.154 4.527 0.000 0.000 0.270 362 F C 0.790 176.741 175.800 0.251 0.000 0.894 362 F CA 0.870 59.109 58.000 0.397 0.000 1.128 362 F CB 0.377 39.739 39.000 0.604 0.000 1.011 362 F HN 0.781 nan 8.300 nan 0.000 0.788 363 A N 0.267 123.213 122.820 0.210 0.000 2.601 363 A HA 0.597 4.917 4.320 0.000 0.000 0.291 363 A C -1.679 175.993 177.584 0.147 0.000 1.075 363 A CA -0.778 51.281 52.037 0.038 0.000 0.671 363 A CB 0.777 19.751 19.000 -0.043 0.000 1.277 363 A HN 0.219 nan 8.150 nan 0.000 0.417 364 N N -0.288 118.455 118.700 0.072 0.000 2.577 364 N HA 0.625 5.365 4.740 0.000 0.000 0.285 364 N C -3.076 172.464 175.510 0.051 0.000 1.309 364 N CA -1.579 51.516 53.050 0.075 0.000 0.798 364 N CB 1.257 39.772 38.487 0.045 0.000 1.463 364 N HN 0.260 nan 8.380 nan 0.000 0.518 365 P HA 0.022 nan 4.420 nan 0.000 0.265 365 P C -0.127 177.168 177.300 -0.008 0.000 1.187 365 P CA 0.867 63.982 63.100 0.026 0.000 0.766 365 P CB 0.350 32.069 31.700 0.031 0.000 0.820 366 D N -0.950 119.429 120.400 -0.036 0.000 2.495 366 D HA -0.157 4.484 4.640 0.000 0.000 0.175 366 D C -0.102 176.165 176.300 -0.056 0.000 1.040 366 D CA 1.297 55.267 54.000 -0.050 0.000 1.049 366 D CB -1.291 39.489 40.800 -0.033 0.000 1.105 366 D HN 0.458 nan 8.370 nan 0.000 0.457 367 D N 0.027 120.398 120.400 -0.048 0.000 2.400 367 D HA 0.268 4.908 4.640 0.000 0.000 0.238 367 D C 0.200 176.453 176.300 -0.078 0.000 1.157 367 D CA 0.189 54.151 54.000 -0.062 0.000 0.889 367 D CB 0.876 41.639 40.800 -0.063 0.000 1.199 367 D HN -0.120 nan 8.370 nan 0.000 0.436 368 V N 1.876 121.734 119.914 -0.094 0.000 2.459 368 V HA 0.444 4.564 4.120 0.000 0.000 0.295 368 V C 0.057 176.069 176.094 -0.138 0.000 1.029 368 V CA -0.755 61.488 62.300 -0.096 0.000 0.874 368 V CB 1.715 33.487 31.823 -0.085 0.000 0.985 368 V HN 0.236 nan 8.190 nan 0.000 0.438 369 V N 3.466 123.305 119.914 -0.126 0.000 2.715 369 V HA 0.809 4.929 4.120 0.000 0.000 0.310 369 V C 0.121 175.966 176.094 -0.415 0.000 1.054 369 V CA -0.457 61.672 62.300 -0.284 0.000 0.928 369 V CB 2.358 34.047 31.823 -0.222 0.000 1.007 369 V HN 1.034 nan 8.190 nan 0.000 0.437 370 T N 0.030 114.202 114.554 -0.637 0.000 2.900 370 T HA 0.806 5.156 4.350 0.000 0.000 0.295 370 T C -1.164 173.021 174.700 -0.858 0.000 1.044 370 T CA -0.496 61.253 62.100 -0.584 0.000 0.995 370 T CB 1.576 70.268 68.868 -0.294 0.000 1.072 370 T HN 0.211 nan 8.240 nan 0.000 0.473 371 F N 0.468 120.255 119.950 -0.271 0.000 2.507 371 F HA 0.786 5.313 4.527 0.000 0.000 0.325 371 F C 0.714 176.330 175.800 -0.306 0.000 1.116 371 F CA -0.610 57.206 58.000 -0.306 0.000 0.930 371 F CB 2.564 41.344 39.000 -0.367 0.000 1.146 371 F HN 1.101 nan 8.300 nan 0.000 0.447 372 G N 1.672 110.487 108.800 0.025 0.000 2.659 372 G HA2 0.543 4.503 3.960 0.000 0.000 0.296 372 G HA3 0.543 4.503 3.960 0.000 0.000 0.296 372 G C -2.353 172.700 174.900 0.254 0.000 1.369 372 G CA -0.692 44.490 45.100 0.135 0.000 0.937 372 G HN 0.551 nan 8.290 nan 0.000 0.485 373 Q N -0.287 119.747 119.800 0.390 0.000 2.345 373 Q HA 0.703 5.043 4.340 0.000 0.000 0.268 373 Q C -1.181 174.930 176.000 0.185 0.000 1.054 373 Q CA -0.543 55.455 55.803 0.324 0.000 0.835 373 Q CB 2.041 31.030 28.738 0.418 0.000 1.339 373 Q HN 0.436 nan 8.270 nan 0.000 0.447 374 T N 1.868 116.511 114.554 0.149 0.000 2.928 374 T HA 0.661 5.011 4.350 0.000 0.000 0.296 374 T C -0.356 174.402 174.700 0.097 0.000 1.000 374 T CA 0.192 62.353 62.100 0.102 0.000 0.989 374 T CB 1.329 70.246 68.868 0.082 0.000 1.005 374 T HN 1.038 nan 8.240 nan 0.000 0.442 375 G N 1.741 110.590 108.800 0.081 0.000 2.642 375 G HA2 0.263 4.223 3.960 0.000 0.000 0.231 375 G HA3 0.263 4.223 3.960 0.000 0.000 0.231 375 G C 0.692 175.649 174.900 0.095 0.000 1.338 375 G CA 0.505 45.653 45.100 0.078 0.000 0.883 375 G HN 1.978 nan 8.290 nan 0.000 0.570 376 G N -1.769 107.085 108.800 0.090 0.000 2.349 376 G HA2 0.289 4.249 3.960 0.000 0.000 0.213 376 G HA3 0.289 4.249 3.960 0.000 0.000 0.213 376 G C 1.329 176.283 174.900 0.089 0.000 1.044 376 G CA 1.267 46.425 45.100 0.096 0.000 0.633 376 G HN 2.667 nan 8.290 nan 0.000 0.506 377 A N 0.535 123.412 122.820 0.094 0.000 2.540 377 A HA 0.631 4.951 4.320 0.000 0.000 0.239 377 A C 1.706 179.342 177.584 0.086 0.000 1.061 377 A CA 1.856 53.956 52.037 0.104 0.000 0.758 377 A CB -0.379 18.681 19.000 0.101 0.000 0.991 377 A HN 2.564 nan 8.150 nan 0.000 0.502 378 A N 1.730 124.608 122.820 0.096 0.000 2.519 378 A HA 0.229 4.549 4.320 0.000 0.000 0.297 378 A C 2.059 179.678 177.584 0.058 0.000 1.472 378 A CA 1.527 53.608 52.037 0.074 0.000 0.739 378 A CB -1.743 17.291 19.000 0.057 0.000 1.096 378 A HN 3.151 nan 8.150 nan 0.000 0.414 379 G N -1.216 107.619 108.800 0.059 0.000 2.270 379 G HA2 -0.148 3.812 3.960 0.000 0.000 0.268 379 G HA3 -0.148 3.812 3.960 0.000 0.000 0.268 379 G C 1.360 176.291 174.900 0.052 0.000 0.982 379 G CA 1.684 46.814 45.100 0.050 0.000 0.628 379 G HN 2.814 nan 8.290 nan 0.000 0.544 380 T N -0.634 113.952 114.554 0.054 0.000 2.937 380 T HA 0.333 4.683 4.350 0.000 0.000 0.316 380 T C 0.451 175.189 174.700 0.063 0.000 1.079 380 T CA 0.270 62.402 62.100 0.054 0.000 1.131 380 T CB 0.775 69.675 68.868 0.053 0.000 1.000 380 T HN 0.497 nan 8.240 nan 0.000 0.549 381 N N 0.970 119.707 118.700 0.062 0.000 2.441 381 N HA 0.403 5.143 4.740 0.000 0.000 0.251 381 N C -0.140 175.421 175.510 0.085 0.000 1.242 381 N CA -0.424 52.670 53.050 0.073 0.000 0.898 381 N CB 0.384 38.911 38.487 0.067 0.000 1.100 381 N HN 0.914 nan 8.380 nan 0.000 0.443 382 A N 1.025 123.907 122.820 0.102 0.000 2.337 382 A HA 0.635 4.955 4.320 0.000 0.000 0.331 382 A C -0.391 177.270 177.584 0.129 0.000 1.137 382 A CA -0.602 51.509 52.037 0.123 0.000 0.807 382 A CB 1.072 20.161 19.000 0.149 0.000 1.250 382 A HN 0.609 nan 8.150 nan 0.000 0.468 383 T N 0.319 114.954 114.554 0.136 0.000 2.890 383 T HA 0.557 4.907 4.350 0.000 0.000 0.295 383 T C -0.523 174.274 174.700 0.160 0.000 0.993 383 T CA -0.490 61.689 62.100 0.131 0.000 0.979 383 T CB 0.539 69.464 68.868 0.095 0.000 0.967 383 T HN 0.358 nan 8.240 nan 0.000 0.441 384 I N 3.172 123.854 120.570 0.187 0.000 2.395 384 I HA 0.448 4.618 4.170 0.000 0.000 0.289 384 I C 0.753 176.953 176.117 0.138 0.000 1.023 384 I CA -0.142 61.289 61.300 0.219 0.000 1.350 384 I CB 1.255 39.437 38.000 0.304 0.000 1.409 384 I HN 0.874 nan 8.210 nan 0.000 0.507 385 T N 7.269 121.882 114.554 0.098 0.000 2.809 385 T HA 0.649 4.999 4.350 0.000 0.000 0.284 385 T C -0.574 174.087 174.700 -0.065 0.000 0.992 385 T CA -0.507 61.602 62.100 0.015 0.000 0.957 385 T CB 0.413 69.285 68.868 0.006 0.000 0.942 385 T HN 0.314 nan 8.240 nan 0.000 0.439 386 I N 4.835 125.326 120.570 -0.132 0.000 2.312 386 I HA 0.325 4.495 4.170 0.000 0.000 0.290 386 I C 0.255 176.229 176.117 -0.239 0.000 1.008 386 I CA -0.620 60.504 61.300 -0.292 0.000 1.226 386 I CB 1.745 39.563 38.000 -0.302 0.000 1.371 386 I HN 0.550 nan 8.210 nan 0.000 0.468 387 T N 5.825 120.177 114.554 -0.337 0.000 2.772 387 T HA 0.697 5.047 4.350 0.000 0.000 0.288 387 T C -0.151 174.355 174.700 -0.324 0.000 0.994 387 T CA -0.525 61.417 62.100 -0.264 0.000 0.951 387 T CB 1.427 70.168 68.868 -0.211 0.000 0.933 387 T HN 0.686 nan 8.240 nan 0.000 0.447 388 A N 4.756 127.373 122.820 -0.339 0.000 2.380 388 A HA 0.824 5.144 4.320 0.000 0.000 0.315 388 A C -1.893 175.507 177.584 -0.306 0.000 1.101 388 A CA -2.054 49.717 52.037 -0.444 0.000 0.771 388 A CB 0.916 19.353 19.000 -0.939 0.000 1.287 388 A HN 0.485 nan 8.150 nan 0.000 0.436 389 P HA -0.277 nan 4.420 nan 0.000 0.219 389 P C 1.395 178.613 177.300 -0.137 0.000 1.159 389 P CA 3.318 66.320 63.100 -0.164 0.000 0.944 389 P CB 0.114 31.730 31.700 -0.139 0.000 0.792 390 T N -5.675 108.794 114.554 -0.143 0.000 3.069 390 T HA 0.303 4.653 4.350 0.000 0.000 0.252 390 T C 0.329 174.980 174.700 -0.081 0.000 1.053 390 T CA -0.125 61.923 62.100 -0.087 0.000 0.964 390 T CB -0.253 68.589 68.868 -0.042 0.000 1.005 390 T HN -0.149 nan 8.240 nan 0.000 0.532 391 V N 0.401 120.229 119.914 -0.143 0.000 3.087 391 V HA 0.615 4.735 4.120 0.000 0.000 0.306 391 V C -0.889 175.113 176.094 -0.154 0.000 1.187 391 V CA -0.848 61.380 62.300 -0.120 0.000 0.999 391 V CB 2.299 34.075 31.823 -0.080 0.000 1.049 391 V HN 0.256 nan 8.190 nan 0.000 0.431 392 T N 4.283 118.764 114.554 -0.122 0.000 2.890 392 T HA 0.689 5.039 4.350 0.000 0.000 0.295 392 T C -0.774 173.859 174.700 -0.112 0.000 0.993 392 T CA -0.271 61.762 62.100 -0.112 0.000 0.979 392 T CB 0.854 69.664 68.868 -0.097 0.000 0.967 392 T HN 0.402 nan 8.240 nan 0.000 0.441 393 L N 3.009 124.169 121.223 -0.105 0.000 2.330 393 L HA 0.847 5.187 4.340 0.000 0.000 0.271 393 L C 0.408 177.233 176.870 -0.074 0.000 1.013 393 L CA -0.967 53.797 54.840 -0.127 0.000 0.816 393 L CB 2.047 43.992 42.059 -0.191 0.000 1.287 393 L HN 0.671 nan 8.230 nan 0.000 0.435 394 T N -0.780 113.748 114.554 -0.044 0.000 2.916 394 T HA 0.749 5.099 4.350 0.000 0.000 0.298 394 T C -0.685 174.039 174.700 0.041 0.000 1.031 394 T CA -0.597 61.506 62.100 0.005 0.000 0.993 394 T CB 1.525 70.400 68.868 0.012 0.000 1.045 394 T HN 0.337 nan 8.240 nan 0.000 0.454 395 I N 2.487 123.111 120.570 0.089 0.000 2.530 395 I HA 0.474 4.644 4.170 0.000 0.000 0.297 395 I C -0.631 175.562 176.117 0.127 0.000 1.011 395 I CA -1.252 60.124 61.300 0.126 0.000 1.107 395 I CB 2.213 40.333 38.000 0.200 0.000 1.285 395 I HN 0.467 nan 8.210 nan 0.000 0.436 396 L N 5.206 126.498 121.223 0.116 0.000 2.280 396 L HA 0.678 5.018 4.340 0.000 0.000 0.287 396 L C -0.284 176.661 176.870 0.124 0.000 1.023 396 L CA -0.418 54.488 54.840 0.110 0.000 0.819 396 L CB 1.281 43.391 42.059 0.086 0.000 1.212 396 L HN 0.775 nan 8.230 nan 0.000 0.420 397 A N 3.205 126.106 122.820 0.135 0.000 2.273 397 A HA 0.616 4.936 4.320 0.000 0.000 0.315 397 A C 0.153 177.812 177.584 0.125 0.000 1.256 397 A CA -0.474 51.648 52.037 0.143 0.000 0.851 397 A CB 0.872 19.970 19.000 0.164 0.000 1.172 397 A HN 0.700 nan 8.150 nan 0.000 0.508 398 T N -0.012 114.613 114.554 0.118 0.000 2.824 398 T HA 0.573 4.923 4.350 0.000 0.000 0.277 398 T C 0.732 175.492 174.700 0.100 0.000 0.975 398 T CA 0.151 62.310 62.100 0.098 0.000 0.966 398 T CB 0.329 69.248 68.868 0.086 0.000 1.054 398 T HN 1.008 nan 8.240 nan 0.000 0.533 399 T N -0.501 114.098 114.554 0.074 0.000 2.906 399 T HA 0.257 4.607 4.350 0.000 0.000 0.320 399 T C 0.863 175.587 174.700 0.040 0.000 1.088 399 T CA 0.030 62.162 62.100 0.054 0.000 1.120 399 T CB -0.627 68.260 68.868 0.032 0.000 1.000 399 T HN 1.886 nan 8.240 nan 0.000 0.550 400 T N -0.409 114.138 114.554 -0.012 0.000 3.151 400 T HA -0.149 4.201 4.350 0.000 0.000 0.438 400 T C 0.030 174.751 174.700 0.035 0.000 0.772 400 T CA 0.286 62.275 62.100 -0.185 0.000 2.200 400 T CB -2.672 65.913 68.868 -0.472 0.000 1.653 400 T HN 1.807 nan 8.240 nan 0.000 0.581 401 S N -0.312 115.589 115.700 0.335 0.000 2.521 401 S HA 0.849 5.319 4.470 0.000 0.000 0.295 401 S C 0.570 175.496 174.600 0.542 0.000 1.098 401 S CA -0.630 57.849 58.200 0.466 0.000 0.999 401 S CB 2.281 65.651 63.200 0.284 0.000 1.034 401 S HN 1.368 nan 8.310 nan 0.000 0.483 402 A N 1.394 124.555 122.820 0.568 0.000 2.469 402 A HA 0.767 5.087 4.320 0.000 0.000 0.245 402 A C 0.804 178.461 177.584 0.121 0.000 1.221 402 A CA 0.191 52.389 52.037 0.268 0.000 0.946 402 A CB 0.063 19.087 19.000 0.041 0.000 1.049 402 A HN 1.534 nan 8.150 nan 0.000 0.529 403 A N 1.231 124.189 122.820 0.231 0.000 2.586 403 A HA 0.616 4.936 4.320 0.000 0.000 0.320 403 A C -1.024 176.665 177.584 0.175 0.000 1.281 403 A CA -0.566 51.563 52.037 0.154 0.000 0.775 403 A CB 0.130 19.244 19.000 0.190 0.000 1.122 403 A HN 0.184 nan 8.150 nan 0.000 0.470 404 N N 1.514 120.301 118.700 0.146 0.000 2.576 404 N HA 0.413 5.153 4.740 0.000 0.000 0.269 404 N C -1.489 174.118 175.510 0.162 0.000 1.058 404 N CA -0.134 53.010 53.050 0.157 0.000 0.860 404 N CB 2.280 40.865 38.487 0.163 0.000 1.249 404 N HN 0.487 nan 8.380 nan 0.000 0.525 405 V N 2.667 122.685 119.914 0.174 0.000 3.007 405 V HA 0.657 4.777 4.120 0.000 0.000 0.311 405 V C -1.245 174.987 176.094 0.229 0.000 1.120 405 V CA -0.641 61.789 62.300 0.217 0.000 0.980 405 V CB 2.548 34.487 31.823 0.193 0.000 1.033 405 V HN 0.422 nan 8.190 nan 0.000 0.429 406 I N 4.678 125.436 120.570 0.312 0.000 2.465 406 I HA 0.448 4.618 4.170 0.000 0.000 0.291 406 I C -0.101 176.184 176.117 0.280 0.000 1.014 406 I CA -0.455 60.968 61.300 0.205 0.000 1.093 406 I CB 1.887 39.970 38.000 0.138 0.000 1.267 406 I HN 0.731 nan 8.210 nan 0.000 0.431 407 N N 4.738 123.520 118.700 0.136 0.000 2.479 407 N HA 0.565 5.305 4.740 0.000 0.000 0.285 407 N C -1.449 174.212 175.510 0.252 0.000 1.075 407 N CA -0.331 52.901 53.050 0.303 0.000 0.967 407 N CB 1.015 39.649 38.487 0.244 0.000 1.137 407 N HN 0.241 nan 8.380 nan 0.000 0.472 408 F N 0.946 121.275 119.950 0.631 0.000 2.654 408 F HA 0.590 5.117 4.527 0.000 0.000 0.334 408 F C 0.007 176.148 175.800 0.567 0.000 1.078 408 F CA -0.849 57.577 58.000 0.710 0.000 0.986 408 F CB 1.545 40.929 39.000 0.640 0.000 1.362 408 F HN 0.414 nan 8.300 nan 0.000 0.498 409 R N 0.672 121.516 120.500 0.573 0.000 2.594 409 R HA 0.485 4.825 4.340 0.000 0.000 0.265 409 R C -2.234 174.206 176.300 0.233 0.000 1.070 409 R CA -0.896 55.347 56.100 0.239 0.000 0.909 409 R CB 1.490 31.595 30.300 -0.326 0.000 1.243 409 R HN 0.541 nan 8.270 nan 0.000 0.455 410 N N 2.793 121.637 118.700 0.240 0.000 2.426 410 N HA 0.253 4.993 4.740 0.000 0.000 0.275 410 N C 0.206 175.697 175.510 -0.031 0.000 1.019 410 N CA -0.809 52.301 53.050 0.099 0.000 0.941 410 N CB 1.271 39.772 38.487 0.023 0.000 1.123 410 N HN 0.801 nan 8.380 nan 0.000 0.486 411 L N 0.651 121.848 121.223 -0.043 0.000 2.418 411 L HA 0.156 4.496 4.340 0.000 0.000 0.218 411 L C 0.765 177.563 176.870 -0.120 0.000 1.125 411 L CA 0.381 55.173 54.840 -0.081 0.000 0.835 411 L CB -0.198 41.835 42.059 -0.044 0.000 0.953 411 L HN 0.564 nan 8.230 nan 0.000 0.454 412 D N 0.305 120.614 120.400 -0.151 0.000 2.383 412 D HA 0.338 4.978 4.640 0.000 0.000 0.248 412 D C -0.140 175.987 176.300 -0.289 0.000 1.170 412 D CA 0.039 53.921 54.000 -0.196 0.000 0.977 412 D CB 1.660 42.329 40.800 -0.217 0.000 1.120 412 D HN 0.025 nan 8.370 nan 0.000 0.481 413 A N 1.136 123.789 122.820 -0.278 0.000 2.302 413 A HA 0.541 4.861 4.320 0.000 0.000 0.285 413 A C -0.107 177.250 177.584 -0.378 0.000 1.105 413 A CA -0.276 51.553 52.037 -0.346 0.000 0.816 413 A CB 0.596 19.454 19.000 -0.235 0.000 1.067 413 A HN 0.598 nan 8.150 nan 0.000 0.489 414 E N -0.459 119.467 120.200 -0.456 0.000 2.430 414 E HA 0.662 5.012 4.350 0.000 0.000 0.279 414 E C -1.149 175.360 176.600 -0.150 0.000 1.003 414 E CA -0.844 55.374 56.400 -0.304 0.000 0.801 414 E CB 1.615 31.125 29.700 -0.316 0.000 1.313 414 E HN 0.581 nan 8.360 nan 0.000 0.459 415 T N -1.228 113.319 114.554 -0.011 0.000 2.861 415 T HA 0.629 4.979 4.350 0.000 0.000 0.287 415 T C -0.552 174.230 174.700 0.138 0.000 1.003 415 T CA -0.629 61.515 62.100 0.074 0.000 0.977 415 T CB 1.813 70.703 68.868 0.038 0.000 0.996 415 T HN 0.494 nan 8.240 nan 0.000 0.448 416 T N 0.835 115.499 114.554 0.184 0.000 2.883 416 T HA 0.716 5.066 4.350 0.000 0.000 0.296 416 T C -0.348 174.455 174.700 0.171 0.000 1.117 416 T CA -0.315 61.912 62.100 0.212 0.000 1.006 416 T CB 1.295 70.358 68.868 0.325 0.000 1.191 416 T HN 1.168 nan 8.240 nan 0.000 0.508 417 A N 1.813 124.747 122.820 0.191 0.000 2.407 417 A HA 0.704 5.024 4.320 0.000 0.000 0.248 417 A C 0.786 178.466 177.584 0.161 0.000 1.082 417 A CA 0.055 52.169 52.037 0.128 0.000 0.785 417 A CB -0.346 18.698 19.000 0.074 0.000 1.020 417 A HN 1.251 nan 8.150 nan 0.000 0.489 418 A N 1.097 123.940 122.820 0.038 0.000 2.366 418 A HA 0.579 4.899 4.320 0.000 0.000 0.249 418 A C 0.509 178.069 177.584 -0.040 0.000 1.084 418 A CA 0.478 52.497 52.037 -0.029 0.000 0.794 418 A CB 0.298 19.276 19.000 -0.036 0.000 1.034 418 A HN 1.664 nan 8.150 nan 0.000 0.491 419 S N 0.883 116.489 115.700 -0.157 0.000 2.572 419 S HA 0.466 4.936 4.470 0.000 0.000 0.274 419 S C -1.009 173.509 174.600 -0.138 0.000 1.150 419 S CA -0.926 57.182 58.200 -0.153 0.000 0.944 419 S CB 0.599 63.526 63.200 -0.455 0.000 1.071 419 S HN 0.754 nan 8.310 nan 0.000 0.479 420 N N 2.423 121.090 118.700 -0.054 0.000 2.476 420 N HA 0.467 5.207 4.740 0.000 0.000 0.276 420 N C -0.619 174.835 175.510 -0.095 0.000 1.204 420 N CA -0.505 52.506 53.050 -0.065 0.000 0.974 420 N CB 0.960 39.433 38.487 -0.023 0.000 1.204 420 N HN 0.601 nan 8.380 nan 0.000 0.543 421 R N 0.208 120.646 120.500 -0.103 0.000 2.468 421 R HA 0.260 4.600 4.340 0.000 0.000 0.302 421 R C -1.103 175.120 176.300 -0.129 0.000 1.041 421 R CA -0.321 55.700 56.100 -0.131 0.000 0.899 421 R CB 0.551 30.774 30.300 -0.128 0.000 1.167 421 R HN 0.452 nan 8.270 nan 0.000 0.483 422 S N 3.374 118.981 115.700 -0.156 0.000 2.416 422 S HA 0.106 4.576 4.470 0.000 0.000 0.302 422 S C -0.529 173.948 174.600 -0.206 0.000 1.120 422 S CA -0.319 57.792 58.200 -0.147 0.000 1.067 422 S CB 0.553 63.670 63.200 -0.139 0.000 1.057 422 S HN 0.482 nan 8.310 nan 0.000 0.518 423 E N 2.582 122.693 120.200 -0.147 0.000 2.089 423 E HA 0.331 4.681 4.350 0.000 0.000 0.284 423 E C -0.221 176.326 176.600 -0.089 0.000 1.023 423 E CA -0.585 55.725 56.400 -0.150 0.000 0.819 423 E CB 0.849 30.503 29.700 -0.077 0.000 1.076 423 E HN 0.428 nan 8.360 nan 0.000 0.396 424 V N 1.113 120.960 119.914 -0.112 0.000 2.667 424 V HA 0.576 4.696 4.120 0.000 0.000 0.308 424 V C -2.584 173.600 176.094 0.151 0.000 1.048 424 V CA -3.060 59.267 62.300 0.046 0.000 0.928 424 V CB 1.465 33.355 31.823 0.112 0.000 1.004 424 V HN 0.419 nan 8.190 nan 0.000 0.444 425 P HA 0.418 nan 4.420 nan 0.000 0.276 425 P C -0.614 176.829 177.300 0.239 0.000 1.252 425 P CA -0.430 62.767 63.100 0.161 0.000 0.802 425 P CB 0.610 32.374 31.700 0.108 0.000 1.035 426 L N 3.035 124.342 121.223 0.139 0.000 2.375 426 L HA 0.418 4.758 4.340 0.000 0.000 0.271 426 L C -1.686 175.165 176.870 -0.032 0.000 1.107 426 L CA -1.860 53.038 54.840 0.096 0.000 0.806 426 L CB 0.826 42.866 42.059 -0.032 0.000 1.146 426 L HN 0.299 nan 8.230 nan 0.000 0.447 427 P HA 0.237 nan 4.420 nan 0.000 0.277 427 P C -2.709 174.429 177.300 -0.270 0.000 1.271 427 P CA -1.587 61.304 63.100 -0.350 0.000 0.795 427 P CB -0.283 31.195 31.700 -0.370 0.000 1.101 428 P HA 0.100 nan 4.420 nan 0.000 0.268 428 P C 0.370 177.717 177.300 0.078 0.000 1.205 428 P CA 0.312 63.335 63.100 -0.128 0.000 0.771 428 P CB 0.707 32.337 31.700 -0.115 0.000 0.858 429 L N 1.187 122.406 121.223 -0.007 0.000 2.664 429 L HA 0.135 4.475 4.340 0.000 0.000 0.233 429 L C 1.193 177.800 176.870 -0.437 0.000 1.113 429 L CA 0.345 55.120 54.840 -0.108 0.000 0.896 429 L CB 0.006 42.022 42.059 -0.071 0.000 1.163 429 L HN 0.466 nan 8.230 nan 0.000 0.497 430 T N -5.191 109.236 114.554 -0.211 0.000 2.908 430 T HA 0.369 4.719 4.350 0.000 0.000 0.290 430 T C 0.650 175.421 174.700 0.120 0.000 1.034 430 T CA -0.600 61.438 62.100 -0.104 0.000 1.010 430 T CB 1.601 70.452 68.868 -0.028 0.000 1.068 430 T HN -0.213 nan 8.240 nan 0.000 0.481 431 F N 1.855 121.762 119.950 -0.072 0.000 2.126 431 F HA 0.081 4.608 4.527 0.000 0.000 0.299 431 F C 2.733 178.537 175.800 0.007 0.000 1.096 431 F CA 1.923 59.930 58.000 0.012 0.000 1.255 431 F CB -1.254 37.754 39.000 0.014 0.000 0.997 431 F HN 0.862 nan 8.300 nan 0.000 0.479 432 G N -1.220 107.697 108.800 0.194 0.000 2.475 432 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 432 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 432 G C 1.591 176.530 174.900 0.065 0.000 1.125 432 G CA 0.664 45.822 45.100 0.098 0.000 0.755 432 G HN 0.289 nan 8.290 nan 0.000 0.565 433 Q N -0.468 119.368 119.800 0.061 0.000 2.391 433 Q HA 0.054 4.394 4.340 0.000 0.000 0.211 433 Q C 2.643 178.681 176.000 0.063 0.000 0.908 433 Q CA 0.744 56.573 55.803 0.043 0.000 0.920 433 Q CB 0.082 28.829 28.738 0.015 0.000 1.056 433 Q HN 0.420 nan 8.270 nan 0.000 0.523 434 T N 1.108 115.716 114.554 0.089 0.000 2.809 434 T HA -0.015 4.335 4.350 0.000 0.000 0.260 434 T C 1.877 176.622 174.700 0.075 0.000 1.039 434 T CA 1.206 63.379 62.100 0.122 0.000 1.141 434 T CB -0.087 68.864 68.868 0.138 0.000 0.869 434 T HN 0.328 nan 8.240 nan 0.000 0.437 435 A N 2.515 125.348 122.820 0.021 0.000 1.865 435 A HA -0.061 4.259 4.320 0.000 0.000 0.217 435 A C 0.627 178.210 177.584 -0.001 0.000 1.191 435 A CA 1.491 53.519 52.037 -0.015 0.000 0.623 435 A CB -1.615 17.368 19.000 -0.027 0.000 0.826 435 A HN 0.471 nan 8.150 nan 0.000 0.444 436 P HA -0.047 nan 4.420 nan 0.000 0.225 436 P C 0.106 177.421 177.300 0.024 0.000 1.156 436 P CA 0.850 63.959 63.100 0.015 0.000 0.787 436 P CB -0.075 31.636 31.700 0.018 0.000 0.802 437 N N -0.370 118.361 118.700 0.051 0.000 2.203 437 N HA 0.044 4.784 4.740 0.000 0.000 0.207 437 N C 0.020 175.571 175.510 0.069 0.000 1.130 437 N CA 0.140 53.232 53.050 0.069 0.000 0.861 437 N CB 0.137 38.685 38.487 0.101 0.000 1.005 437 N HN 0.140 nan 8.380 nan 0.000 0.507 438 N N 1.241 119.957 118.700 0.026 0.000 2.549 438 N HA 0.202 4.942 4.740 0.000 0.000 0.281 438 N C -2.187 173.276 175.510 -0.077 0.000 1.084 438 N CA -1.293 51.724 53.050 -0.056 0.000 0.862 438 N CB 2.358 40.770 38.487 -0.124 0.000 1.333 438 N HN -0.136 nan 8.380 nan 0.000 0.523 439 P HA 0.024 nan 4.420 nan 0.000 0.233 439 P C 0.146 177.385 177.300 -0.102 0.000 1.167 439 P CA 0.589 63.643 63.100 -0.077 0.000 0.770 439 P CB 0.534 32.198 31.700 -0.060 0.000 0.837 440 K N 0.205 120.526 120.400 -0.132 0.000 2.811 440 K HA 0.229 4.549 4.320 0.000 0.000 0.217 440 K C 0.550 177.045 176.600 -0.176 0.000 1.115 440 K CA -0.632 55.563 56.287 -0.154 0.000 1.179 440 K CB 0.079 32.479 32.500 -0.167 0.000 0.994 440 K HN 0.174 nan 8.250 nan 0.000 0.464 441 I N 1.190 121.664 120.570 -0.160 0.000 2.834 441 I HA 0.180 4.350 4.170 0.000 0.000 0.305 441 I C 0.562 176.563 176.117 -0.194 0.000 1.008 441 I CA -0.176 61.023 61.300 -0.170 0.000 1.273 441 I CB 0.819 38.732 38.000 -0.144 0.000 1.432 441 I HN 0.119 nan 8.210 nan 0.000 0.557 442 E N 2.792 122.852 120.200 -0.233 0.000 2.331 442 E HA 0.525 4.875 4.350 0.000 0.000 0.275 442 E C -1.483 174.747 176.600 -0.616 0.000 0.895 442 E CA -0.700 55.514 56.400 -0.309 0.000 0.753 442 E CB 2.775 32.359 29.700 -0.193 0.000 1.216 442 E HN 0.456 nan 8.360 nan 0.000 0.434 443 Q N -0.173 119.171 119.800 -0.759 0.000 2.403 443 Q HA 0.639 4.979 4.340 0.000 0.000 0.267 443 Q C -1.054 174.299 176.000 -1.079 0.000 0.991 443 Q CA -0.790 54.309 55.803 -1.175 0.000 0.906 443 Q CB 1.632 29.973 28.738 -0.663 0.000 1.422 443 Q HN 0.508 nan 8.270 nan 0.000 0.400 444 T N -0.637 112.890 114.554 -1.711 0.000 2.658 444 T HA 0.568 4.918 4.350 0.000 0.000 0.306 444 T C -0.534 173.354 174.700 -1.353 0.000 1.544 444 T CA -1.135 60.285 62.100 -1.133 0.000 0.991 444 T CB 0.269 68.866 68.868 -0.452 0.000 1.774 444 T HN 0.548 nan 8.240 nan 0.000 0.479 445 L N 0.746 121.722 121.223 -0.412 0.000 2.475 445 L HA 0.363 4.704 4.340 0.000 0.000 0.253 445 L C 1.529 178.477 176.870 0.131 0.000 1.198 445 L CA -0.698 54.122 54.840 -0.034 0.000 0.814 445 L CB 0.392 42.538 42.059 0.145 0.000 1.134 445 L HN 0.503 nan 8.230 nan 0.000 0.478 446 V N 0.352 120.417 119.914 0.251 0.000 3.306 446 V HA -0.082 4.038 4.120 0.000 0.000 0.264 446 V C 1.990 178.191 176.094 0.179 0.000 1.149 446 V CA 1.086 63.561 62.300 0.292 0.000 1.143 446 V CB -0.628 31.365 31.823 0.283 0.000 0.767 446 V HN 0.715 nan 8.190 nan 0.000 0.476 447 K N 0.003 120.490 120.400 0.145 0.000 2.057 447 K HA -0.153 4.167 4.320 0.000 0.000 0.206 447 K C 1.873 178.533 176.600 0.100 0.000 1.050 447 K CA 1.428 57.778 56.287 0.106 0.000 0.935 447 K CB -0.264 32.291 32.500 0.093 0.000 0.715 447 K HN 0.337 nan 8.250 nan 0.000 0.439 448 D N 1.490 121.956 120.400 0.110 0.000 2.212 448 D HA -0.117 4.523 4.640 0.000 0.000 0.197 448 D C 0.443 176.810 176.300 0.112 0.000 1.004 448 D CA 1.602 55.661 54.000 0.099 0.000 0.864 448 D CB -0.170 40.682 40.800 0.086 0.000 1.027 448 D HN 0.273 nan 8.370 nan 0.000 0.455 449 T N -0.989 113.665 114.554 0.167 0.000 2.771 449 T HA 0.452 4.802 4.350 0.000 0.000 0.281 449 T C 0.922 175.682 174.700 0.101 0.000 0.982 449 T CA -0.732 61.452 62.100 0.139 0.000 0.978 449 T CB 1.223 70.219 68.868 0.213 0.000 0.930 449 T HN 0.091 nan 8.240 nan 0.000 0.447 450 L N 3.367 124.615 121.223 0.041 0.000 3.499 450 L HA 0.346 4.686 4.340 0.000 0.000 0.265 450 L C 1.476 178.327 176.870 -0.031 0.000 1.324 450 L CA 0.416 55.267 54.840 0.018 0.000 1.067 450 L CB -1.840 40.221 42.059 0.003 0.000 1.487 450 L HN 1.214 nan 8.230 nan 0.000 0.415 451 G N -0.839 107.911 108.800 -0.083 0.000 2.280 451 G HA2 -0.027 3.933 3.960 0.000 0.000 0.277 451 G HA3 -0.027 3.933 3.960 0.000 0.000 0.277 451 G C -0.855 173.661 174.900 -0.640 0.000 1.288 451 G CA -0.213 44.731 45.100 -0.260 0.000 1.075 451 G HN 0.293 nan 8.290 nan 0.000 0.480 452 S N -1.387 113.902 115.700 -0.684 0.000 2.709 452 S HA 0.806 5.276 4.470 0.000 0.000 0.302 452 S C -1.398 173.081 174.600 -0.202 0.000 1.127 452 S CA -0.622 57.092 58.200 -0.810 0.000 0.905 452 S CB 2.608 64.981 63.200 -1.377 0.000 1.151 452 S HN 2.026 nan 8.310 nan 0.000 0.510 453 Y N 0.693 120.857 120.300 -0.227 0.000 2.332 453 Y HA 0.606 5.156 4.550 0.000 0.000 0.325 453 Y C -1.978 173.923 175.900 0.002 0.000 1.054 453 Y CA -1.567 56.502 58.100 -0.052 0.000 1.119 453 Y CB 0.811 39.291 38.460 0.033 0.000 1.168 453 Y HN 0.786 nan 8.280 nan 0.000 0.439 454 L N 7.060 128.217 121.223 -0.109 0.000 2.313 454 L HA 0.722 5.062 4.340 0.000 0.000 0.283 454 L C -0.930 175.831 176.870 -0.181 0.000 1.013 454 L CA -1.165 53.570 54.840 -0.174 0.000 0.816 454 L CB 1.746 43.700 42.059 -0.176 0.000 1.236 454 L HN 0.358 nan 8.230 nan 0.000 0.419 455 V N 2.639 122.457 119.914 -0.160 0.000 2.376 455 V HA 0.326 4.446 4.120 0.000 0.000 0.287 455 V C 0.185 176.215 176.094 -0.106 0.000 1.015 455 V CA -0.695 61.516 62.300 -0.149 0.000 0.834 455 V CB 1.141 32.776 31.823 -0.313 0.000 1.001 455 V HN 0.636 nan 8.190 nan 0.000 0.428 456 H N 2.512 121.610 119.070 0.046 0.000 2.730 456 H HA 0.506 5.062 4.556 0.000 0.000 0.376 456 H C 0.392 175.646 175.328 -0.125 0.000 1.299 456 H CA 0.581 56.654 56.048 0.042 0.000 1.447 456 H CB 1.618 31.502 29.762 0.204 0.000 1.493 456 H HN 0.746 nan 8.280 nan 0.000 0.619 457 S N 0.328 116.075 115.700 0.078 0.000 2.547 457 S HA 0.199 4.669 4.470 0.000 0.000 0.270 457 S C -0.820 173.938 174.600 0.263 0.000 1.150 457 S CA -1.272 56.997 58.200 0.114 0.000 0.850 457 S CB 2.314 65.450 63.200 -0.107 0.000 1.118 457 S HN 0.641 nan 8.310 nan 0.000 0.461 458 K N 1.199 121.836 120.400 0.395 0.000 2.419 458 K HA 0.232 4.552 4.320 0.000 0.000 0.282 458 K C 0.122 176.759 176.600 0.062 0.000 1.056 458 K CA 0.134 56.505 56.287 0.139 0.000 1.035 458 K CB 0.051 32.421 32.500 -0.216 0.000 0.921 458 K HN 0.833 nan 8.250 nan 0.000 0.472 459 M N 3.994 123.624 119.600 0.050 0.000 2.193 459 M HA 0.136 4.616 4.480 0.000 0.000 0.365 459 M C 0.788 177.101 176.300 0.021 0.000 0.877 459 M CA 0.059 55.377 55.300 0.029 0.000 1.077 459 M CB 0.569 33.193 32.600 0.041 0.000 1.967 459 M HN 0.584 nan 8.290 nan 0.000 0.668 460 R N -0.541 119.971 120.500 0.021 0.000 2.316 460 R HA 0.274 4.614 4.340 0.000 0.000 0.201 460 R C -0.027 176.267 176.300 -0.010 0.000 0.888 460 R CA 0.165 56.277 56.100 0.020 0.000 1.041 460 R CB 0.517 30.846 30.300 0.048 0.000 1.115 460 R HN 0.093 nan 8.270 nan 0.000 0.559 461 N N 0.192 118.865 118.700 -0.045 0.000 2.371 461 N HA 0.228 4.968 4.740 0.000 0.000 0.291 461 N C -2.390 173.046 175.510 -0.124 0.000 1.053 461 N CA -2.123 50.886 53.050 -0.069 0.000 0.870 461 N CB 2.168 40.617 38.487 -0.063 0.000 1.503 461 N HN -0.336 nan 8.380 nan 0.000 0.485 462 P HA -0.128 nan 4.420 nan 0.000 0.217 462 P C -0.178 177.022 177.300 -0.167 0.000 1.148 462 P CA 1.101 64.135 63.100 -0.110 0.000 0.828 462 P CB 0.202 31.865 31.700 -0.062 0.000 0.783 463 V N -5.296 114.521 119.914 -0.162 0.000 2.919 463 V HA 0.444 4.564 4.120 0.000 0.000 0.316 463 V C -0.325 175.647 176.094 -0.203 0.000 1.077 463 V CA -1.394 60.814 62.300 -0.153 0.000 0.977 463 V CB 1.194 32.986 31.823 -0.052 0.000 1.039 463 V HN -0.247 nan 8.190 nan 0.000 0.441 464 F N 2.177 122.104 119.950 -0.037 0.000 2.566 464 F HA 0.379 4.906 4.527 0.000 0.000 0.349 464 F C 0.824 176.592 175.800 -0.054 0.000 1.245 464 F CA 0.281 58.260 58.000 -0.035 0.000 1.169 464 F CB 0.383 39.345 39.000 -0.063 0.000 1.470 464 F HN 0.683 nan 8.300 nan 0.000 0.634 465 Q N 3.544 123.385 119.800 0.069 0.000 2.259 465 Q HA 0.435 4.775 4.340 0.000 0.000 0.249 465 Q C -0.647 175.336 176.000 -0.028 0.000 0.914 465 Q CA -0.682 55.126 55.803 0.008 0.000 0.904 465 Q CB 1.062 29.786 28.738 -0.023 0.000 1.213 465 Q HN 0.583 nan 8.270 nan 0.000 0.428 466 L N 2.171 123.354 121.223 -0.066 0.000 2.395 466 L HA 0.388 4.728 4.340 0.000 0.000 0.269 466 L C 0.326 177.078 176.870 -0.197 0.000 1.133 466 L CA -0.219 54.537 54.840 -0.140 0.000 0.812 466 L CB 1.430 43.425 42.059 -0.107 0.000 1.125 466 L HN 0.644 nan 8.230 nan 0.000 0.452 467 T N 2.827 117.164 114.554 -0.362 0.000 2.893 467 T HA 0.468 4.818 4.350 0.000 0.000 0.293 467 T C -2.730 171.773 174.700 -0.328 0.000 1.027 467 T CA -1.796 60.107 62.100 -0.330 0.000 0.988 467 T CB 2.039 70.701 68.868 -0.344 0.000 1.043 467 T HN 0.306 nan 8.240 nan 0.000 0.461 468 P HA 0.174 nan 4.420 nan 0.000 0.265 468 P C 0.394 177.671 177.300 -0.038 0.000 1.193 468 P CA -0.027 63.009 63.100 -0.105 0.000 0.765 468 P CB 0.711 32.338 31.700 -0.122 0.000 0.823 469 A N 3.759 126.529 122.820 -0.083 0.000 1.930 469 A HA -0.058 4.262 4.320 0.000 0.000 0.217 469 A C 1.192 178.606 177.584 -0.284 0.000 1.175 469 A CA 1.445 53.276 52.037 -0.344 0.000 0.627 469 A CB -0.837 17.791 19.000 -0.621 0.000 0.815 469 A HN 0.668 nan 8.150 nan 0.000 0.443 470 S N -0.167 115.368 115.700 -0.274 0.000 2.448 470 S HA 0.430 4.900 4.470 0.000 0.000 0.320 470 S C 0.480 174.785 174.600 -0.492 0.000 1.071 470 S CA 0.166 58.163 58.200 -0.340 0.000 1.113 470 S CB 1.424 64.390 63.200 -0.390 0.000 0.972 470 S HN 0.589 nan 8.310 nan 0.000 0.465 471 S N 2.562 118.074 115.700 -0.312 0.000 2.548 471 S HA 0.231 4.701 4.470 0.000 0.000 0.215 471 S C 0.491 175.032 174.600 -0.098 0.000 0.976 471 S CA -0.565 57.499 58.200 -0.227 0.000 0.908 471 S CB -1.222 61.922 63.200 -0.093 0.000 0.781 471 S HN 0.951 nan 8.310 nan 0.000 0.519 472 F N 0.888 120.847 119.950 0.016 0.000 3.074 472 F HA -0.150 4.377 4.527 0.000 0.000 0.287 472 F C 0.839 176.649 175.800 0.018 0.000 0.932 472 F CA 0.056 58.078 58.000 0.037 0.000 0.995 472 F CB -1.546 37.476 39.000 0.036 0.000 0.966 472 F HN 0.652 nan 8.300 nan 0.000 0.721 473 G N -0.826 108.055 108.800 0.134 0.000 2.559 473 G HA2 0.796 4.756 3.960 0.000 0.000 0.291 473 G HA3 0.796 4.756 3.960 0.000 0.000 0.291 473 G C -1.797 173.075 174.900 -0.047 0.000 1.424 473 G CA -0.188 44.930 45.100 0.030 0.000 0.786 473 G HN 0.624 nan 8.290 nan 0.000 0.485 474 A N -0.709 122.043 122.820 -0.112 0.000 2.322 474 A HA 0.845 5.165 4.320 0.000 0.000 0.327 474 A C -0.570 176.858 177.584 -0.260 0.000 1.134 474 A CA -0.721 51.197 52.037 -0.198 0.000 0.831 474 A CB 1.062 19.944 19.000 -0.197 0.000 1.288 474 A HN 0.676 nan 8.150 nan 0.000 0.472 475 I N 2.068 122.422 120.570 -0.360 0.000 2.337 475 I HA 0.220 4.390 4.170 0.000 0.000 0.285 475 I C 0.031 175.671 176.117 -0.795 0.000 1.041 475 I CA 0.119 61.122 61.300 -0.494 0.000 1.199 475 I CB 1.093 38.821 38.000 -0.453 0.000 1.370 475 I HN 0.504 nan 8.210 nan 0.000 0.470 476 S N 5.382 120.657 115.700 -0.708 0.000 2.687 476 S HA 0.683 5.153 4.470 0.000 0.000 0.283 476 S C -0.508 173.505 174.600 -0.979 0.000 1.170 476 S CA -0.421 57.339 58.200 -0.733 0.000 1.008 476 S CB 1.200 64.206 63.200 -0.325 0.000 1.026 476 S HN 0.256 nan 8.310 nan 0.000 0.541 477 F N 0.510 120.319 119.950 -0.234 0.000 2.579 477 F HA 0.664 5.191 4.527 0.000 0.000 0.324 477 F C 0.835 176.480 175.800 -0.260 0.000 1.058 477 F CA -0.771 57.086 58.000 -0.239 0.000 0.944 477 F CB 1.863 40.689 39.000 -0.291 0.000 1.245 477 F HN 0.595 nan 8.300 nan 0.000 0.477 478 T N -1.207 113.369 114.554 0.035 0.000 2.887 478 T HA 0.627 4.977 4.350 0.000 0.000 0.292 478 T C -1.292 173.435 174.700 0.044 0.000 1.087 478 T CA -0.839 61.292 62.100 0.051 0.000 1.009 478 T CB 2.296 71.241 68.868 0.129 0.000 1.203 478 T HN 0.748 nan 8.240 nan 0.000 0.518 479 N N 0.675 119.438 118.700 0.106 0.000 3.340 479 N HA 0.238 4.978 4.740 0.000 0.000 0.234 479 N C -3.314 172.268 175.510 0.120 0.000 1.196 479 N CA -1.027 52.067 53.050 0.072 0.000 0.958 479 N CB 2.281 40.770 38.487 0.004 0.000 1.608 479 N HN 0.555 nan 8.380 nan 0.000 0.515 480 P HA 0.125 nan 4.420 nan 0.000 0.263 480 P C 0.643 177.991 177.300 0.081 0.000 1.195 480 P CA 1.073 64.215 63.100 0.070 0.000 0.762 480 P CB 0.207 31.931 31.700 0.040 0.000 0.799 481 G N 2.360 111.209 108.800 0.082 0.000 2.176 481 G HA2 -0.249 3.711 3.960 0.000 0.000 0.232 481 G HA3 -0.249 3.711 3.960 0.000 0.000 0.232 481 G C -0.348 174.621 174.900 0.116 0.000 0.986 481 G CA -0.306 44.837 45.100 0.073 0.000 0.643 481 G HN 0.559 nan 8.290 nan 0.000 0.522 482 F N 2.400 122.352 119.950 0.003 0.000 2.410 482 F HA 0.642 5.169 4.527 0.000 0.000 0.349 482 F C -0.103 175.700 175.800 0.006 0.000 1.117 482 F CA -1.760 56.244 58.000 0.007 0.000 1.104 482 F CB 1.517 40.525 39.000 0.013 0.000 1.122 482 F HN 0.009 nan 8.300 nan 0.000 0.483 483 D N 5.567 125.474 120.400 -0.822 0.000 2.380 483 D HA 0.205 4.845 4.640 0.000 0.000 0.230 483 D C 0.985 176.679 176.300 -1.010 0.000 1.154 483 D CA -0.133 53.472 54.000 -0.660 0.000 0.859 483 D CB 0.680 41.252 40.800 -0.379 0.000 1.045 483 D HN 0.668 nan 8.370 nan 0.000 0.495 484 R N 2.585 122.727 120.500 -0.596 0.000 2.249 484 R HA -0.072 4.268 4.340 0.000 0.000 0.230 484 R C 1.150 177.328 176.300 -0.203 0.000 1.121 484 R CA 0.484 56.408 56.100 -0.293 0.000 0.997 484 R CB -0.045 30.230 30.300 -0.043 0.000 0.867 484 R HN 0.462 nan 8.270 nan 0.000 0.465 485 N N 0.803 119.368 118.700 -0.225 0.000 2.573 485 N HA -0.095 4.645 4.740 0.000 0.000 0.187 485 N C 1.260 176.700 175.510 -0.117 0.000 1.107 485 N CA 0.853 53.819 53.050 -0.138 0.000 0.918 485 N CB 0.136 38.550 38.487 -0.121 0.000 0.966 485 N HN 0.321 nan 8.380 nan 0.000 0.448 486 L N 0.030 121.156 121.223 -0.162 0.000 2.558 486 L HA 0.074 4.414 4.340 0.000 0.000 0.225 486 L C -0.134 176.763 176.870 0.044 0.000 1.128 486 L CA 0.207 55.014 54.840 -0.055 0.000 0.868 486 L CB -0.083 41.942 42.059 -0.056 0.000 1.006 486 L HN -0.164 nan 8.230 nan 0.000 0.454 487 D N 1.797 122.228 120.400 0.051 0.000 2.371 487 D HA 0.230 4.870 4.640 0.000 0.000 0.256 487 D C 0.075 176.378 176.300 0.004 0.000 1.193 487 D CA 0.328 54.370 54.000 0.069 0.000 0.881 487 D CB 1.388 42.227 40.800 0.064 0.000 1.143 487 D HN 0.042 nan 8.370 nan 0.000 0.473 488 L N 4.864 126.089 121.223 0.004 0.000 2.349 488 L HA 0.262 4.602 4.340 0.000 0.000 0.275 488 L C -1.769 175.061 176.870 -0.066 0.000 1.115 488 L CA -1.654 53.175 54.840 -0.018 0.000 0.820 488 L CB 0.733 42.801 42.059 0.015 0.000 1.135 488 L HN 0.124 nan 8.230 nan 0.000 0.445 489 P HA 0.342 nan 4.420 nan 0.000 0.276 489 P C -0.118 177.067 177.300 -0.192 0.000 1.230 489 P CA 0.132 63.120 63.100 -0.187 0.000 0.776 489 P CB 1.842 33.395 31.700 -0.245 0.000 0.888 490 G N 1.568 110.207 108.800 -0.269 0.000 2.491 490 G HA2 0.161 4.121 3.960 0.000 0.000 0.183 490 G HA3 0.161 4.121 3.960 0.000 0.000 0.183 490 G C -1.353 173.282 174.900 -0.440 0.000 1.221 490 G CA -0.613 44.342 45.100 -0.242 0.000 0.996 490 G HN 0.252 nan 8.290 nan 0.000 0.474 491 F N 2.424 122.364 119.950 -0.016 0.000 2.835 491 F HA 0.543 5.070 4.527 0.000 0.000 0.342 491 F C 1.307 177.105 175.800 -0.003 0.000 1.202 491 F CA 0.019 58.016 58.000 -0.005 0.000 1.240 491 F CB 1.067 40.079 39.000 0.019 0.000 1.005 491 F HN 0.666 nan 8.300 nan 0.000 0.507 492 G N -0.282 108.572 108.800 0.089 0.000 2.508 492 G HA2 0.539 4.499 3.960 0.000 0.000 0.278 492 G HA3 0.539 4.499 3.960 0.000 0.000 0.278 492 G C 0.505 175.389 174.900 -0.026 0.000 1.389 492 G CA 0.157 45.285 45.100 0.046 0.000 1.050 492 G HN 0.659 nan 8.290 nan 0.000 0.522 493 G N -1.586 107.174 108.800 -0.068 0.000 2.741 493 G HA2 -0.149 3.811 3.960 0.000 0.000 0.222 493 G HA3 -0.149 3.811 3.960 0.000 0.000 0.222 493 G C -0.145 174.585 174.900 -0.283 0.000 1.364 493 G CA -0.182 44.827 45.100 -0.152 0.000 0.866 493 G HN 0.924 nan 8.290 nan 0.000 0.555 494 I N 1.547 121.847 120.570 -0.450 0.000 2.363 494 I HA 0.207 4.377 4.170 0.000 0.000 0.292 494 I C 0.966 176.557 176.117 -0.878 0.000 1.075 494 I CA -0.406 60.298 61.300 -0.993 0.000 1.333 494 I CB 0.694 38.300 38.000 -0.657 0.000 1.415 494 I HN 0.228 nan 8.210 nan 0.000 0.502 495 R N 5.039 124.942 120.500 -0.995 0.000 2.612 495 R HA 0.276 4.616 4.340 0.000 0.000 0.273 495 R C -0.820 175.360 176.300 -0.201 0.000 1.376 495 R CA -0.101 55.820 56.100 -0.299 0.000 1.171 495 R CB -0.335 30.038 30.300 0.122 0.000 1.151 495 R HN 0.578 nan 8.270 nan 0.000 0.560 496 D N -0.710 119.560 120.400 -0.215 0.000 2.665 496 D HA 0.209 4.849 4.640 0.000 0.000 0.287 496 D C -1.260 175.010 176.300 -0.051 0.000 1.266 496 D CA -0.333 53.619 54.000 -0.080 0.000 0.830 496 D CB 1.872 42.594 40.800 -0.130 0.000 1.356 496 D HN 0.111 nan 8.370 nan 0.000 0.437 497 S N 0.288 116.004 115.700 0.026 0.000 2.549 497 S HA 0.714 5.184 4.470 0.000 0.000 0.297 497 S C -1.210 173.478 174.600 0.146 0.000 1.115 497 S CA -0.594 57.648 58.200 0.070 0.000 1.059 497 S CB 0.703 63.972 63.200 0.114 0.000 1.046 497 S HN 0.368 nan 8.310 nan 0.000 0.506 498 L N 3.688 124.989 121.223 0.130 0.000 2.322 498 L HA 0.537 4.878 4.340 0.000 0.000 0.281 498 L C -0.162 176.821 176.870 0.187 0.000 1.014 498 L CA -0.323 54.611 54.840 0.157 0.000 0.815 498 L CB 1.535 43.643 42.059 0.082 0.000 1.247 498 L HN 0.758 nan 8.230 nan 0.000 0.421 499 D N 2.177 122.722 120.400 0.241 0.000 2.390 499 D HA 0.021 4.661 4.640 0.000 0.000 0.236 499 D C 0.752 177.112 176.300 0.100 0.000 1.189 499 D CA 0.319 54.423 54.000 0.174 0.000 0.887 499 D CB 1.065 42.007 40.800 0.236 0.000 1.198 499 D HN 0.367 nan 8.370 nan 0.000 0.444 500 V N 1.992 121.928 119.914 0.037 0.000 3.307 500 V HA 0.037 4.157 4.120 0.000 0.000 0.253 500 V C 1.234 177.359 176.094 0.050 0.000 1.149 500 V CA 0.678 62.994 62.300 0.026 0.000 1.112 500 V CB -0.333 31.472 31.823 -0.030 0.000 0.777 500 V HN 0.556 nan 8.190 nan 0.000 0.464 501 N N -1.475 117.273 118.700 0.080 0.000 2.516 501 N HA 0.170 4.910 4.740 0.000 0.000 0.197 501 N C 0.815 176.400 175.510 0.125 0.000 1.064 501 N CA 0.108 53.196 53.050 0.063 0.000 0.866 501 N CB 0.132 38.624 38.487 0.009 0.000 1.255 501 N HN 0.261 nan 8.380 nan 0.000 0.447 502 M N 1.948 121.675 119.600 0.213 0.000 2.245 502 M HA 0.038 4.518 4.480 0.000 0.000 0.312 502 M C 1.139 177.602 176.300 0.270 0.000 1.070 502 M CA 0.192 55.658 55.300 0.277 0.000 1.162 502 M CB 0.172 32.958 32.600 0.309 0.000 1.448 502 M HN 0.084 nan 8.290 nan 0.000 0.446 503 S N 0.497 116.394 115.700 0.328 0.000 2.669 503 S HA 0.554 5.024 4.470 0.000 0.000 0.270 503 S C -0.014 174.858 174.600 0.452 0.000 1.225 503 S CA -0.677 57.709 58.200 0.310 0.000 0.991 503 S CB 1.515 64.856 63.200 0.235 0.000 0.987 503 S HN 0.762 nan 8.310 nan 0.000 0.552 504 T N -0.680 114.045 114.554 0.286 0.000 2.812 504 T HA 0.697 5.047 4.350 0.000 0.000 0.282 504 T C -0.347 174.345 174.700 -0.014 0.000 0.990 504 T CA -0.478 61.739 62.100 0.196 0.000 0.960 504 T CB 0.695 69.528 68.868 -0.060 0.000 0.948 504 T HN 1.130 nan 8.240 nan 0.000 0.438 505 A N 3.400 126.100 122.820 -0.201 0.000 2.288 505 A HA 0.953 5.273 4.320 0.000 0.000 0.328 505 A C -0.503 176.910 177.584 -0.285 0.000 1.123 505 A CA -0.815 50.906 52.037 -0.527 0.000 0.861 505 A CB 1.731 20.038 19.000 -1.155 0.000 1.272 505 A HN 1.290 nan 8.150 nan 0.000 0.490 506 V N -0.855 118.882 119.914 -0.294 0.000 3.087 506 V HA 0.620 4.740 4.120 0.000 0.000 0.306 506 V C -1.534 174.352 176.094 -0.347 0.000 1.187 506 V CA -0.345 61.793 62.300 -0.269 0.000 0.999 506 V CB 1.780 33.451 31.823 -0.254 0.000 1.049 506 V HN 1.498 nan 8.190 nan 0.000 0.431 507 C N 5.955 125.020 119.300 -0.391 0.000 2.516 507 C HA 0.730 5.190 4.460 0.000 0.000 0.338 507 C C -1.289 173.478 174.990 -0.372 0.000 1.132 507 C CA -0.388 58.410 59.018 -0.367 0.000 1.310 507 C CB 0.646 28.229 27.740 -0.262 0.000 1.898 507 C HN 0.996 nan 8.230 nan 0.000 0.452 508 H N 4.291 123.329 119.070 -0.055 0.000 2.466 508 H HA 0.535 5.091 4.556 0.000 0.000 0.338 508 H C -0.919 174.443 175.328 0.056 0.000 1.091 508 H CA -0.237 55.888 56.048 0.129 0.000 1.207 508 H CB 1.113 31.088 29.762 0.356 0.000 1.466 508 H HN 0.565 nan 8.280 nan 0.000 0.493 509 F N 2.218 122.376 119.950 0.347 0.000 2.469 509 F HA 0.490 5.018 4.527 0.000 0.000 0.332 509 F C 0.678 176.540 175.800 0.103 0.000 1.103 509 F CA -0.716 57.422 58.000 0.230 0.000 0.979 509 F CB 1.402 40.400 39.000 -0.005 0.000 1.137 509 F HN 0.172 nan 8.300 nan 0.000 0.463 510 R N 0.862 121.520 120.500 0.263 0.000 2.628 510 R HA 0.383 4.723 4.340 0.000 0.000 0.288 510 R C -0.499 175.827 176.300 0.043 0.000 0.980 510 R CA -0.904 55.195 56.100 -0.001 0.000 0.891 510 R CB 1.849 31.946 30.300 -0.338 0.000 1.188 510 R HN 0.713 nan 8.270 nan 0.000 0.450 511 S N 1.030 116.713 115.700 -0.028 0.000 3.711 511 S HA -0.182 4.288 4.470 0.000 0.000 0.374 511 S C -0.201 174.423 174.600 0.039 0.000 0.969 511 S CA 0.274 58.480 58.200 0.010 0.000 1.198 511 S CB -0.977 62.241 63.200 0.029 0.000 0.903 511 S HN 0.338 nan 8.310 nan 0.000 0.493 512 L N 1.697 122.893 121.223 -0.045 0.000 2.334 512 L HA 0.548 4.888 4.340 0.000 0.000 0.277 512 L C 0.831 177.779 176.870 0.131 0.000 1.075 512 L CA 0.506 55.318 54.840 -0.047 0.000 0.804 512 L CB 1.510 43.325 42.059 -0.408 0.000 1.174 512 L HN 0.408 nan 8.230 nan 0.000 0.438 513 S N 2.273 118.080 115.700 0.179 0.000 2.572 513 S HA 0.084 4.554 4.470 0.000 0.000 0.279 513 S C 1.134 175.942 174.600 0.346 0.000 1.341 513 S CA -0.164 58.162 58.200 0.209 0.000 1.043 513 S CB 0.381 63.661 63.200 0.133 0.000 0.887 513 S HN 0.636 nan 8.310 nan 0.000 0.516 514 K N 2.378 122.907 120.400 0.214 0.000 2.574 514 K HA 0.019 4.339 4.320 0.000 0.000 0.193 514 K C 1.142 177.728 176.600 -0.023 0.000 1.035 514 K CA 0.576 56.866 56.287 0.006 0.000 0.982 514 K CB -0.049 32.378 32.500 -0.122 0.000 0.795 514 K HN 0.450 nan 8.250 nan 0.000 0.491 515 S N 0.157 115.895 115.700 0.064 0.000 2.556 515 S HA 0.013 4.483 4.470 0.000 0.000 0.216 515 S C 0.358 175.009 174.600 0.086 0.000 0.970 515 S CA -0.339 57.886 58.200 0.041 0.000 0.912 515 S CB 0.081 63.302 63.200 0.035 0.000 0.790 515 S HN 0.331 nan 8.310 nan 0.000 0.504 516 C N 3.116 122.524 119.300 0.179 0.000 2.376 516 C HA 0.809 5.269 4.460 0.000 0.000 0.335 516 C C 0.235 175.402 174.990 0.295 0.000 1.229 516 C CA -0.581 58.554 59.018 0.195 0.000 1.867 516 C CB 0.425 28.271 27.740 0.177 0.000 2.319 516 C HN 0.447 nan 8.230 nan 0.000 0.515 517 S N 6.138 121.951 115.700 0.188 0.000 2.570 517 S HA 0.739 5.209 4.470 0.000 0.000 0.286 517 S C -1.162 173.489 174.600 0.085 0.000 1.099 517 S CA -0.734 57.603 58.200 0.229 0.000 0.913 517 S CB 1.262 64.556 63.200 0.156 0.000 1.085 517 S HN 0.635 nan 8.310 nan 0.000 0.480 518 I N 2.885 123.491 120.570 0.060 0.000 2.307 518 I HA 0.315 4.485 4.170 0.000 0.000 0.289 518 I C -0.445 175.676 176.117 0.007 0.000 1.021 518 I CA -0.809 60.431 61.300 -0.099 0.000 1.224 518 I CB 1.009 38.816 38.000 -0.322 0.000 1.376 518 I HN 0.520 nan 8.210 nan 0.000 0.470 519 V N 6.239 126.153 119.914 0.000 0.000 2.408 519 V HA 0.219 4.339 4.120 0.000 0.000 0.267 519 V C 0.794 176.907 176.094 0.032 0.000 1.047 519 V CA -0.434 61.889 62.300 0.039 0.000 0.937 519 V CB 1.165 33.001 31.823 0.021 0.000 0.999 519 V HN 0.856 nan 8.190 nan 0.000 0.472 520 T N 2.422 117.029 114.554 0.088 0.000 2.744 520 T HA 0.459 4.809 4.350 0.000 0.000 0.291 520 T C -0.483 174.275 174.700 0.098 0.000 0.957 520 T CA -0.789 61.358 62.100 0.078 0.000 1.002 520 T CB 0.935 69.850 68.868 0.080 0.000 0.919 520 T HN 0.643 nan 8.240 nan 0.000 0.468 521 K N 3.338 123.782 120.400 0.074 0.000 2.334 521 K HA 0.412 4.732 4.320 0.000 0.000 0.265 521 K C -0.392 176.289 176.600 0.135 0.000 1.039 521 K CA -0.493 55.831 56.287 0.063 0.000 0.920 521 K CB 0.879 33.420 32.500 0.068 0.000 1.160 521 K HN 0.825 nan 8.250 nan 0.000 0.451 522 T N 2.536 117.149 114.554 0.099 0.000 2.829 522 T HA 0.394 4.744 4.350 0.000 0.000 0.280 522 T C -1.302 173.466 174.700 0.113 0.000 0.999 522 T CA -0.475 61.737 62.100 0.186 0.000 0.983 522 T CB 0.503 69.508 68.868 0.228 0.000 0.968 522 T HN 0.412 nan 8.240 nan 0.000 0.446 523 Y N 2.569 122.987 120.300 0.197 0.000 2.328 523 Y HA 0.521 5.071 4.550 0.000 0.000 0.336 523 Y C 0.299 176.363 175.900 0.275 0.000 0.960 523 Y CA -0.725 57.520 58.100 0.241 0.000 1.134 523 Y CB 2.062 40.695 38.460 0.288 0.000 1.166 523 Y HN 0.698 nan 8.280 nan 0.000 0.464 524 Q N 2.388 122.389 119.800 0.336 0.000 2.292 524 Q HA 0.656 4.996 4.340 0.000 0.000 0.270 524 Q C -0.826 175.212 176.000 0.064 0.000 1.024 524 Q CA -0.732 55.200 55.803 0.214 0.000 0.768 524 Q CB 1.662 30.494 28.738 0.157 0.000 1.250 524 Q HN 0.934 nan 8.270 nan 0.000 0.447 525 G N 3.973 112.550 108.800 -0.371 0.000 2.379 525 G HA2 0.672 4.632 3.960 0.000 0.000 0.327 525 G HA3 0.672 4.632 3.960 0.000 0.000 0.327 525 G C -1.328 173.473 174.900 -0.164 0.000 1.145 525 G CA -0.484 44.218 45.100 -0.663 0.000 0.905 525 G HN 0.624 nan 8.290 nan 0.000 0.466 526 W N 1.410 122.622 121.300 -0.147 0.000 3.118 526 W HA 0.776 5.436 4.660 0.000 0.000 0.328 526 W C -1.578 174.969 176.519 0.046 0.000 1.239 526 W CA -1.186 56.176 57.345 0.028 0.000 1.176 526 W CB 1.493 31.056 29.460 0.172 0.000 1.433 526 W HN 0.570 nan 8.180 nan 0.000 0.562 527 E N 0.897 121.282 120.200 0.309 0.000 2.272 527 E HA 0.638 4.988 4.350 0.000 0.000 0.269 527 E C -0.826 176.019 176.600 0.408 0.000 0.877 527 E CA -0.573 55.898 56.400 0.118 0.000 0.755 527 E CB 2.357 32.056 29.700 -0.002 0.000 1.192 527 E HN 0.795 nan 8.360 nan 0.000 0.422 528 G N 1.213 110.232 108.800 0.365 0.000 2.704 528 G HA2 0.469 4.429 3.960 0.000 0.000 0.293 528 G HA3 0.469 4.429 3.960 0.000 0.000 0.293 528 G C -1.412 173.641 174.900 0.255 0.000 1.421 528 G CA -0.520 44.839 45.100 0.433 0.000 0.870 528 G HN 0.359 nan 8.290 nan 0.000 0.492 529 V N 1.442 121.448 119.914 0.153 0.000 2.394 529 V HA 0.541 4.661 4.120 0.000 0.000 0.282 529 V C 0.920 177.138 176.094 0.207 0.000 1.031 529 V CA -0.483 61.846 62.300 0.050 0.000 0.881 529 V CB 0.956 32.675 31.823 -0.174 0.000 0.982 529 V HN 1.053 nan 8.190 nan 0.000 0.451 530 T N 1.625 116.394 114.554 0.359 0.000 2.788 530 T HA 0.407 4.757 4.350 0.000 0.000 0.287 530 T C 0.199 175.064 174.700 0.276 0.000 1.007 530 T CA -0.107 62.186 62.100 0.322 0.000 1.005 530 T CB 2.024 71.086 68.868 0.323 0.000 1.012 530 T HN 0.653 nan 8.240 nan 0.000 0.530 531 N N -0.614 118.189 118.700 0.170 0.000 3.067 531 N HA 0.242 4.982 4.740 0.000 0.000 0.213 531 N C -0.782 174.772 175.510 0.073 0.000 1.522 531 N CA 0.561 53.686 53.050 0.125 0.000 1.273 531 N CB 0.364 38.908 38.487 0.094 0.000 0.931 531 N HN 0.798 nan 8.380 nan 0.000 0.799 532 V N -0.857 119.085 119.914 0.046 0.000 2.960 532 V HA 0.610 4.730 4.120 0.000 0.000 0.315 532 V C -0.648 175.448 176.094 0.002 0.000 1.087 532 V CA -0.908 61.406 62.300 0.022 0.000 0.982 532 V CB 1.445 33.280 31.823 0.020 0.000 1.039 532 V HN 0.534 nan 8.190 nan 0.000 0.437 533 N N 0.040 118.735 118.700 -0.008 0.000 2.714 533 N HA -0.178 4.562 4.740 0.000 0.000 0.252 533 N C -0.048 175.427 175.510 -0.058 0.000 1.014 533 N CA 1.582 54.617 53.050 -0.027 0.000 0.735 533 N CB -1.257 37.215 38.487 -0.025 0.000 0.924 533 N HN 1.185 nan 8.380 nan 0.000 0.540 534 T N -1.448 113.074 114.554 -0.054 0.000 2.841 534 T HA 0.553 4.903 4.350 0.000 0.000 0.283 534 T C -1.801 172.855 174.700 -0.073 0.000 1.000 534 T CA -1.832 60.191 62.100 -0.128 0.000 0.977 534 T CB 1.662 70.478 68.868 -0.087 0.000 0.979 534 T HN -0.188 nan 8.240 nan 0.000 0.446 535 P HA 0.223 nan 4.420 nan 0.000 0.231 535 P C 0.834 178.398 177.300 0.440 0.000 1.168 535 P CA 0.594 63.757 63.100 0.105 0.000 0.779 535 P CB 0.077 31.842 31.700 0.109 0.000 0.844 536 F N -1.177 118.919 119.950 0.244 0.000 2.710 536 F HA 0.121 4.648 4.527 0.000 0.000 0.298 536 F C 2.433 178.390 175.800 0.261 0.000 1.137 536 F CA -0.069 58.150 58.000 0.365 0.000 1.444 536 F CB -0.746 38.467 39.000 0.356 0.000 1.111 536 F HN -0.039 nan 8.300 nan 0.000 0.580 537 G N 1.798 110.771 108.800 0.288 0.000 2.624 537 G HA2 -0.387 3.573 3.960 0.000 0.000 0.221 537 G HA3 -0.387 3.573 3.960 0.000 0.000 0.221 537 G C 1.535 176.434 174.900 -0.001 0.000 1.169 537 G CA 1.412 46.587 45.100 0.125 0.000 0.771 537 G HN 0.514 nan 8.290 nan 0.000 0.598 538 Q N -0.585 119.119 119.800 -0.159 0.000 2.135 538 Q HA -0.065 4.275 4.340 0.000 0.000 0.204 538 Q C 2.184 177.963 176.000 -0.367 0.000 0.981 538 Q CA 1.502 57.101 55.803 -0.341 0.000 0.856 538 Q CB -0.643 27.793 28.738 -0.503 0.000 0.902 538 Q HN 0.524 nan 8.270 nan 0.000 0.425 539 F N 1.732 121.714 119.950 0.055 0.000 2.771 539 F HA 0.183 4.710 4.527 0.000 0.000 0.299 539 F C 1.221 177.082 175.800 0.101 0.000 1.177 539 F CA -0.003 58.049 58.000 0.087 0.000 1.450 539 F CB -0.067 38.973 39.000 0.067 0.000 1.114 539 F HN 0.089 nan 8.300 nan 0.000 0.587 540 A N -0.055 122.839 122.820 0.123 0.000 2.450 540 A HA 0.423 4.743 4.320 0.000 0.000 0.255 540 A C -0.531 176.994 177.584 -0.099 0.000 1.096 540 A CA 0.053 52.170 52.037 0.134 0.000 0.778 540 A CB -0.073 19.035 19.000 0.181 0.000 1.031 540 A HN 0.406 nan 8.150 nan 0.000 0.494 541 H N 0.227 119.380 119.070 0.139 0.000 3.043 541 H HA 0.570 5.126 4.556 0.000 0.000 0.302 541 H C 0.385 175.798 175.328 0.142 0.000 1.506 541 H CA 0.062 56.174 56.048 0.106 0.000 1.282 541 H CB 0.955 30.759 29.762 0.069 0.000 1.914 541 H HN 0.673 nan 8.280 nan 0.000 0.625 542 S N -0.552 115.305 115.700 0.262 0.000 2.576 542 S HA 0.338 4.808 4.470 0.000 0.000 0.272 542 S C 0.595 175.273 174.600 0.131 0.000 1.352 542 S CA -0.034 58.276 58.200 0.184 0.000 1.021 542 S CB -0.051 63.234 63.200 0.141 0.000 0.887 542 S HN 0.731 nan 8.310 nan 0.000 0.542 543 G N 2.000 110.852 108.800 0.086 0.000 2.562 543 G HA2 0.471 4.431 3.960 0.000 0.000 0.275 543 G HA3 0.471 4.431 3.960 0.000 0.000 0.275 543 G C -0.604 174.298 174.900 0.002 0.000 1.196 543 G CA -0.788 44.323 45.100 0.019 0.000 0.908 543 G HN 0.746 nan 8.290 nan 0.000 0.524 544 L N 0.214 121.412 121.223 -0.042 0.000 2.371 544 L HA 0.257 4.597 4.340 0.000 0.000 0.272 544 L C 0.588 177.427 176.870 -0.051 0.000 1.124 544 L CA -0.456 54.354 54.840 -0.050 0.000 0.816 544 L CB 0.954 42.957 42.059 -0.095 0.000 1.129 544 L HN 0.274 nan 8.230 nan 0.000 0.448 545 L N 2.520 123.723 121.223 -0.032 0.000 2.464 545 L HA 0.152 4.492 4.340 0.000 0.000 0.264 545 L C 0.606 177.435 176.870 -0.068 0.000 1.199 545 L CA -0.154 54.666 54.840 -0.033 0.000 0.818 545 L CB 0.278 42.327 42.059 -0.017 0.000 1.102 545 L HN 0.530 nan 8.230 nan 0.000 0.473 546 K N 2.006 122.363 120.400 -0.073 0.000 2.379 546 K HA 0.012 4.332 4.320 0.000 0.000 0.284 546 K C -0.209 176.315 176.600 -0.128 0.000 1.044 546 K CA -0.030 56.196 56.287 -0.101 0.000 0.974 546 K CB 0.276 32.721 32.500 -0.092 0.000 0.962 546 K HN 0.408 nan 8.250 nan 0.000 0.474 547 N N 4.037 122.664 118.700 -0.121 0.000 2.813 547 N HA 0.024 4.764 4.740 0.000 0.000 0.282 547 N C -0.341 175.105 175.510 -0.105 0.000 1.748 547 N CA -0.079 52.900 53.050 -0.119 0.000 0.860 547 N CB 0.693 39.132 38.487 -0.080 0.000 1.204 547 N HN 0.698 nan 8.380 nan 0.000 0.490 548 D N 0.787 121.108 120.400 -0.133 0.000 2.170 548 D HA -0.228 4.412 4.640 0.000 0.000 0.193 548 D C 1.403 177.655 176.300 -0.079 0.000 1.004 548 D CA 1.643 55.581 54.000 -0.104 0.000 0.860 548 D CB 0.622 41.337 40.800 -0.141 0.000 0.931 548 D HN 0.455 nan 8.370 nan 0.000 0.448 549 E N 0.372 120.507 120.200 -0.108 0.000 2.026 549 E HA -0.216 4.134 4.350 0.000 0.000 0.206 549 E C 2.534 179.088 176.600 -0.076 0.000 1.028 549 E CA 1.373 57.713 56.400 -0.100 0.000 0.845 549 E CB -0.933 28.692 29.700 -0.126 0.000 0.772 549 E HN 0.646 nan 8.360 nan 0.000 0.462 550 I N -1.332 119.191 120.570 -0.079 0.000 2.614 550 I HA -0.152 4.018 4.170 0.000 0.000 0.258 550 I C 2.104 178.300 176.117 0.132 0.000 1.189 550 I CA 0.774 62.041 61.300 -0.055 0.000 1.462 550 I CB -0.193 37.763 38.000 -0.074 0.000 1.092 550 I HN -0.059 nan 8.210 nan 0.000 0.442 551 L N 0.967 122.260 121.223 0.117 0.000 2.083 551 L HA -0.171 4.169 4.340 0.000 0.000 0.209 551 L C 2.658 179.625 176.870 0.163 0.000 1.083 551 L CA 1.591 56.541 54.840 0.182 0.000 0.752 551 L CB -1.315 40.787 42.059 0.072 0.000 0.899 551 L HN 0.522 nan 8.230 nan 0.000 0.433 552 C N -1.090 118.259 119.300 0.082 0.000 2.500 552 C HA -0.093 4.367 4.460 0.000 0.000 0.279 552 C C 2.849 177.893 174.990 0.090 0.000 1.288 552 C CA -0.084 58.973 59.018 0.066 0.000 1.710 552 C CB -0.630 27.120 27.740 0.016 0.000 2.052 552 C HN 0.422 nan 8.230 nan 0.000 0.488 553 L N 0.932 122.199 121.223 0.072 0.000 2.079 553 L HA -0.204 4.136 4.340 0.000 0.000 0.210 553 L C 2.772 179.776 176.870 0.224 0.000 1.081 553 L CA 1.829 56.726 54.840 0.096 0.000 0.752 553 L CB -0.633 41.419 42.059 -0.012 0.000 0.896 553 L HN 0.393 nan 8.230 nan 0.000 0.433 554 A N -0.296 122.700 122.820 0.293 0.000 1.858 554 A HA -0.257 4.063 4.320 0.000 0.000 0.216 554 A C 1.885 179.645 177.584 0.294 0.000 1.190 554 A CA 2.007 54.237 52.037 0.322 0.000 0.617 554 A CB -0.613 18.585 19.000 0.331 0.000 0.827 554 A HN 0.414 nan 8.150 nan 0.000 0.443 555 D N 0.159 120.708 120.400 0.248 0.000 2.097 555 D HA -0.132 4.508 4.640 0.000 0.000 0.195 555 D C 1.449 177.831 176.300 0.136 0.000 0.989 555 D CA 1.428 55.544 54.000 0.193 0.000 0.827 555 D CB -0.453 40.422 40.800 0.126 0.000 0.966 555 D HN 0.374 nan 8.370 nan 0.000 0.456 556 D N 0.354 120.824 120.400 0.116 0.000 2.104 556 D HA -0.108 4.532 4.640 0.000 0.000 0.194 556 D C 2.351 178.715 176.300 0.107 0.000 0.994 556 D CA 0.530 54.585 54.000 0.091 0.000 0.830 556 D CB -0.258 40.587 40.800 0.076 0.000 0.959 556 D HN 0.252 nan 8.370 nan 0.000 0.452 557 L N 0.368 121.671 121.223 0.134 0.000 2.156 557 L HA -0.031 4.309 4.340 0.000 0.000 0.208 557 L C 2.460 179.382 176.870 0.085 0.000 1.095 557 L CA 0.800 55.731 54.840 0.152 0.000 0.770 557 L CB -0.383 41.770 42.059 0.156 0.000 0.914 557 L HN -0.043 nan 8.230 nan 0.000 0.439 558 A N -0.473 122.392 122.820 0.075 0.000 2.014 558 A HA -0.118 4.202 4.320 0.000 0.000 0.218 558 A C 2.307 179.881 177.584 -0.016 0.000 1.163 558 A CA 1.845 53.885 52.037 0.005 0.000 0.652 558 A CB -0.550 18.524 19.000 0.123 0.000 0.808 558 A HN 0.337 nan 8.150 nan 0.000 0.449 559 T N -1.262 113.305 114.554 0.022 0.000 2.937 559 T HA -0.020 4.330 4.350 0.000 0.000 0.260 559 T C 2.126 176.815 174.700 -0.018 0.000 1.051 559 T CA 0.890 62.989 62.100 -0.002 0.000 1.141 559 T CB -0.114 68.765 68.868 0.019 0.000 0.879 559 T HN 0.386 nan 8.240 nan 0.000 0.459 560 R N 0.655 121.161 120.500 0.011 0.000 2.062 560 R HA 0.117 4.457 4.340 0.000 0.000 0.229 560 R C 0.549 176.825 176.300 -0.040 0.000 1.128 560 R CA 0.518 56.623 56.100 0.008 0.000 0.960 560 R CB -0.591 29.754 30.300 0.074 0.000 0.855 560 R HN 0.345 nan 8.270 nan 0.000 0.432 561 L N 2.250 123.449 121.223 -0.040 0.000 2.416 561 L HA 0.057 4.397 4.340 0.000 0.000 0.272 561 L C 0.404 177.188 176.870 -0.142 0.000 1.161 561 L CA -0.131 54.666 54.840 -0.072 0.000 0.845 561 L CB 1.161 43.217 42.059 -0.005 0.000 1.119 561 L HN 0.207 nan 8.230 nan 0.000 0.464 562 T N -0.847 113.582 114.554 -0.208 0.000 2.723 562 T HA 0.196 4.546 4.350 0.000 0.000 0.297 562 T C 1.167 175.555 174.700 -0.519 0.000 0.925 562 T CA -0.500 61.415 62.100 -0.309 0.000 1.030 562 T CB 1.176 69.865 68.868 -0.299 0.000 0.905 562 T HN 0.762 nan 8.240 nan 0.000 0.502 563 G N 2.988 111.513 108.800 -0.460 0.000 3.158 563 G HA2 0.294 4.254 3.960 0.000 0.000 0.204 563 G HA3 0.294 4.254 3.960 0.000 0.000 0.204 563 G C 0.054 174.695 174.900 -0.431 0.000 1.226 563 G CA -0.249 44.555 45.100 -0.492 0.000 1.039 563 G HN 0.807 nan 8.290 nan 0.000 0.496 564 V N -0.050 119.386 119.914 -0.798 0.000 2.443 564 V HA 0.600 4.720 4.120 0.000 0.000 0.293 564 V C -0.870 174.759 176.094 -0.775 0.000 1.021 564 V CA -1.102 60.861 62.300 -0.562 0.000 0.848 564 V CB 0.618 32.302 31.823 -0.231 0.000 0.998 564 V HN 0.269 nan 8.190 nan 0.000 0.424 565 Y N 1.695 122.024 120.300 0.048 0.000 2.705 565 Y HA 0.812 5.362 4.550 0.000 0.000 0.332 565 Y C 0.862 176.853 175.900 0.151 0.000 1.157 565 Y CA -0.982 57.182 58.100 0.106 0.000 1.091 565 Y CB 1.335 39.849 38.460 0.089 0.000 1.301 565 Y HN 0.689 nan 8.280 nan 0.000 0.488 566 G N -0.280 108.712 108.800 0.319 0.000 2.467 566 G HA2 0.413 4.373 3.960 0.000 0.000 0.257 566 G HA3 0.413 4.373 3.960 0.000 0.000 0.257 566 G C 0.661 175.603 174.900 0.070 0.000 1.227 566 G CA -0.065 45.152 45.100 0.195 0.000 0.835 566 G HN 0.923 nan 8.290 nan 0.000 0.556 567 A N 1.461 124.251 122.820 -0.050 0.000 2.024 567 A HA -0.073 4.247 4.320 0.000 0.000 0.220 567 A C 2.358 179.876 177.584 -0.110 0.000 1.164 567 A CA 2.272 54.252 52.037 -0.095 0.000 0.643 567 A CB -0.649 18.285 19.000 -0.111 0.000 0.806 567 A HN 0.643 nan 8.150 nan 0.000 0.451 568 T N -0.593 113.933 114.554 -0.046 0.000 3.007 568 T HA -0.073 4.277 4.350 0.000 0.000 0.270 568 T C 0.562 175.207 174.700 -0.091 0.000 1.107 568 T CA 1.447 63.521 62.100 -0.043 0.000 1.118 568 T CB -0.404 68.474 68.868 0.017 0.000 0.889 568 T HN 0.433 nan 8.240 nan 0.000 0.506 569 D N 0.436 120.768 120.400 -0.112 0.000 2.424 569 D HA 0.114 4.754 4.640 0.000 0.000 0.220 569 D C 1.047 177.137 176.300 -0.350 0.000 1.150 569 D CA -0.021 53.852 54.000 -0.210 0.000 0.831 569 D CB -0.260 40.474 40.800 -0.109 0.000 0.981 569 D HN 0.560 nan 8.370 nan 0.000 0.500 570 N N 1.076 119.486 118.700 -0.485 0.000 2.314 570 N HA -0.052 4.688 4.740 0.000 0.000 0.200 570 N C 0.429 175.623 175.510 -0.527 0.000 1.135 570 N CA -0.403 52.111 53.050 -0.894 0.000 0.835 570 N CB -0.060 37.769 38.487 -1.098 0.000 0.989 570 N HN -0.052 nan 8.380 nan 0.000 0.478 571 F N 1.211 121.141 119.950 -0.033 0.000 2.516 571 F HA -0.075 4.452 4.527 0.000 0.000 0.350 571 F C 0.394 176.147 175.800 -0.078 0.000 1.016 571 F CA -1.102 56.869 58.000 -0.048 0.000 1.253 571 F CB -0.205 38.772 39.000 -0.039 0.000 0.930 571 F HN -0.044 nan 8.300 nan 0.000 0.608 572 A N 4.013 126.753 122.820 -0.133 0.000 2.540 572 A HA 0.445 4.765 4.320 0.000 0.000 0.239 572 A C 1.250 178.580 177.584 -0.423 0.000 1.061 572 A CA 0.380 52.256 52.037 -0.269 0.000 0.758 572 A CB -0.951 17.974 19.000 -0.125 0.000 0.991 572 A HN 2.683 nan 8.150 nan 0.000 0.502 573 A N 0.637 123.193 122.820 -0.440 0.000 2.887 573 A HA 0.009 4.329 4.320 0.000 0.000 0.257 573 A C 1.720 178.980 177.584 -0.541 0.000 1.372 573 A CA 1.531 53.334 52.037 -0.391 0.000 0.879 573 A CB -2.049 16.807 19.000 -0.239 0.000 1.082 573 A HN 2.552 nan 8.150 nan 0.000 0.703 574 A N -0.813 121.456 122.820 -0.917 0.000 1.908 574 A HA 0.076 4.396 4.320 0.000 0.000 0.218 574 A C 2.134 179.480 177.584 -0.396 0.000 1.181 574 A CA 2.296 53.725 52.037 -1.012 0.000 0.627 574 A CB -0.723 17.681 19.000 -0.994 0.000 0.818 574 A HN 1.363 nan 8.150 nan 0.000 0.445 575 V N -0.197 119.480 119.914 -0.394 0.000 2.343 575 V HA -0.255 3.865 4.120 0.000 0.000 0.247 575 V C 2.465 178.503 176.094 -0.094 0.000 1.051 575 V CA 2.009 64.128 62.300 -0.302 0.000 1.036 575 V CB -0.896 30.647 31.823 -0.468 0.000 0.654 575 V HN 0.521 nan 8.190 nan 0.000 0.451 576 L N 0.534 121.681 121.223 -0.126 0.000 2.217 576 L HA -0.010 4.330 4.340 0.000 0.000 0.211 576 L C 2.645 179.541 176.870 0.043 0.000 1.107 576 L CA 1.623 56.447 54.840 -0.026 0.000 0.783 576 L CB -1.011 40.939 42.059 -0.181 0.000 0.919 576 L HN 0.257 nan 8.230 nan 0.000 0.442 577 A N -0.135 122.700 122.820 0.026 0.000 1.883 577 A HA -0.267 4.053 4.320 0.000 0.000 0.217 577 A C 2.251 179.932 177.584 0.162 0.000 1.186 577 A CA 1.777 53.886 52.037 0.119 0.000 0.624 577 A CB -0.923 18.232 19.000 0.258 0.000 0.822 577 A HN 0.393 nan 8.150 nan 0.000 0.444 578 F N 1.026 120.992 119.950 0.025 0.000 2.069 578 F HA -0.094 4.433 4.527 0.000 0.000 0.298 578 F C 2.553 178.393 175.800 0.067 0.000 1.113 578 F CA 1.405 59.424 58.000 0.031 0.000 1.214 578 F CB -0.640 38.349 39.000 -0.018 0.000 0.978 578 F HN 0.244 nan 8.300 nan 0.000 0.474 579 A N 0.433 123.299 122.820 0.077 0.000 1.940 579 A HA -0.093 4.227 4.320 0.000 0.000 0.219 579 A C 2.414 180.126 177.584 0.214 0.000 1.176 579 A CA 1.980 54.042 52.037 0.041 0.000 0.631 579 A CB -1.623 17.370 19.000 -0.012 0.000 0.814 579 A HN 0.561 nan 8.150 nan 0.000 0.446 580 A N 0.243 123.263 122.820 0.333 0.000 1.877 580 A HA -0.199 4.121 4.320 0.000 0.000 0.216 580 A C 1.983 179.641 177.584 0.124 0.000 1.186 580 A CA 1.723 53.970 52.037 0.350 0.000 0.620 580 A CB -0.606 18.523 19.000 0.214 0.000 0.822 580 A HN 0.571 nan 8.150 nan 0.000 0.443 581 N N -0.487 118.226 118.700 0.022 0.000 2.106 581 N HA -0.117 4.623 4.740 0.000 0.000 0.188 581 N C 1.718 177.171 175.510 -0.096 0.000 1.029 581 N CA 1.498 54.526 53.050 -0.037 0.000 0.848 581 N CB -0.404 38.053 38.487 -0.050 0.000 1.007 581 N HN 0.294 nan 8.380 nan 0.000 0.423 582 M N 1.158 120.632 119.600 -0.209 0.000 2.080 582 M HA -0.107 4.373 4.480 0.000 0.000 0.260 582 M C 2.282 178.517 176.300 -0.109 0.000 1.068 582 M CA 0.938 56.108 55.300 -0.216 0.000 1.109 582 M CB -1.128 31.267 32.600 -0.342 0.000 1.342 582 M HN 0.173 nan 8.290 nan 0.000 0.405 583 L N 0.063 121.248 121.223 -0.064 0.000 1.989 583 L HA -0.254 4.086 4.340 0.000 0.000 0.211 583 L C 2.520 179.339 176.870 -0.084 0.000 1.071 583 L CA 2.335 57.105 54.840 -0.117 0.000 0.749 583 L CB -0.632 41.346 42.059 -0.134 0.000 0.890 583 L HN 0.470 nan 8.230 nan 0.000 0.431 584 T N -3.689 110.845 114.554 -0.033 0.000 2.915 584 T HA -0.141 4.209 4.350 0.000 0.000 0.269 584 T C 1.879 176.559 174.700 -0.034 0.000 1.071 584 T CA 1.295 63.380 62.100 -0.024 0.000 1.132 584 T CB -0.512 68.357 68.868 0.001 0.000 0.878 584 T HN 0.556 nan 8.240 nan 0.000 0.479 585 S N 0.418 116.092 115.700 -0.044 0.000 2.470 585 S HA 0.104 4.574 4.470 0.000 0.000 0.225 585 S C 1.917 176.490 174.600 -0.045 0.000 1.006 585 S CA 0.363 58.539 58.200 -0.040 0.000 0.934 585 S CB -0.524 62.650 63.200 -0.042 0.000 0.778 585 S HN 0.354 nan 8.310 nan 0.000 0.517 586 V N 1.670 121.548 119.914 -0.061 0.000 2.871 586 V HA 0.074 4.194 4.120 0.000 0.000 0.256 586 V C 2.294 178.353 176.094 -0.059 0.000 1.082 586 V CA 1.024 63.286 62.300 -0.063 0.000 1.105 586 V CB -0.640 31.134 31.823 -0.082 0.000 0.713 586 V HN 0.475 nan 8.190 nan 0.000 0.473 587 L N -0.537 120.651 121.223 -0.059 0.000 2.023 587 L HA -0.132 4.208 4.340 0.000 0.000 0.205 587 L C 2.567 179.417 176.870 -0.034 0.000 1.073 587 L CA 1.585 56.395 54.840 -0.049 0.000 0.745 587 L CB -0.614 41.418 42.059 -0.044 0.000 0.900 587 L HN 0.222 nan 8.230 nan 0.000 0.435 588 K N -0.261 120.122 120.400 -0.028 0.000 2.113 588 K HA -0.228 4.092 4.320 0.000 0.000 0.208 588 K C 2.299 178.887 176.600 -0.020 0.000 1.047 588 K CA 1.648 57.923 56.287 -0.020 0.000 0.928 588 K CB -0.348 32.141 32.500 -0.017 0.000 0.716 588 K HN 0.167 nan 8.250 nan 0.000 0.446 589 S N 0.995 116.680 115.700 -0.025 0.000 2.400 589 S HA -0.192 4.278 4.470 0.000 0.000 0.234 589 S C 0.580 175.167 174.600 -0.021 0.000 1.049 589 S CA 1.254 59.440 58.200 -0.024 0.000 1.039 589 S CB -0.147 63.035 63.200 -0.030 0.000 0.856 589 S HN 0.295 nan 8.310 nan 0.000 0.465 590 E N 0.000 120.185 120.200 -0.024 0.000 2.725 590 E HA 0.000 4.350 4.350 0.000 0.000 0.291 590 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 590 E CB 0.000 29.684 29.700 -0.026 0.000 0.812 590 E HN 0.000 nan 8.360 nan 0.000 0.440