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 1re5_1_C DATA FIRST_RESID 3 DATA SEQUENCE NQLFDAYFTA PAMREIFSDR GRLQGMLDFE AALARAEASA GLVPHSAVAA DATA SEQUENCE IEAACQAERY DTGALANAIA TAGNSAIPLV KALGKVIATG VPEAERYVHL DATA SEQUENCE GATSQDAMDT GLVLQLRDAL DLIEADLGKL ADTLSQQALK HADTPLVGRT DATA SEQUENCE WLQHATPVTL GMKLAGVLGA LTRHRQRLQE LRPRLLVLQF GGASGSLAAL DATA SEQUENCE GSKAMPVAEA LAEQLKLTLP EQPWHTQRDR LVEFASVLGL VAGSLGKFGR DATA SEQUENCE DISLLMQTEA GEVFEPSXXX XXXXXTMPHK RNPVGAAVLI GAATRVPGLL DATA SEQUENCE STLFAAMPQE HERSLGLWHA EWETLPDICC LVSGALRQAQ VIAEGMEVDA DATA SEQUENCE ARMRRNLDLT QGLVLAEAVS IVLAQRLGRD RAHHLLEQCC QRAVAEQRHL DATA SEQUENCE RAVLGDEPQV SAELSGEELD RLLDPAHYLG QARVWVARAV SEHQRFTA 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.546 175.510 0.060 0.000 1.280 3 N CA 0.000 53.082 53.050 0.053 0.000 0.885 3 N CB 0.000 38.537 38.487 0.083 0.000 1.341 4 Q N 0.339 120.153 119.800 0.024 0.000 2.140 4 Q HA 0.346 4.686 4.340 -0.000 0.000 0.227 4 Q C 0.529 176.514 176.000 -0.025 0.000 0.798 4 Q CA -0.299 55.521 55.803 0.028 0.000 0.987 4 Q CB 0.444 29.195 28.738 0.023 0.000 1.161 4 Q HN 0.379 nan 8.270 nan 0.000 0.480 5 L N 0.274 121.429 121.223 -0.114 0.000 1.971 5 L HA -0.136 4.204 4.340 -0.000 0.000 0.215 5 L C 1.390 178.069 176.870 -0.318 0.000 1.072 5 L CA 1.917 56.576 54.840 -0.302 0.000 0.758 5 L CB -0.236 41.482 42.059 -0.568 0.000 0.889 5 L HN 0.286 nan 8.230 nan 0.000 0.433 6 F N -1.284 118.652 119.950 -0.024 0.000 2.732 6 F HA -0.039 4.488 4.527 -0.000 0.000 0.303 6 F C 1.746 177.497 175.800 -0.081 0.000 1.110 6 F CA -0.158 57.760 58.000 -0.137 0.000 1.355 6 F CB -0.076 38.836 39.000 -0.147 0.000 1.081 6 F HN 0.092 nan 8.300 nan 0.000 0.565 7 D N 0.716 121.215 120.400 0.165 0.000 2.183 7 D HA -0.105 4.534 4.640 -0.000 0.000 0.203 7 D C 2.270 178.655 176.300 0.141 0.000 0.969 7 D CA 1.106 55.209 54.000 0.173 0.000 0.842 7 D CB 0.142 41.021 40.800 0.131 0.000 0.957 7 D HN 0.179 nan 8.370 nan 0.000 0.484 8 A N -0.719 122.160 122.820 0.098 0.000 1.968 8 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 8 A C 2.029 179.705 177.584 0.152 0.000 1.169 8 A CA 0.912 53.008 52.037 0.098 0.000 0.638 8 A CB -0.853 18.179 19.000 0.053 0.000 0.812 8 A HN 0.412 nan 8.150 nan 0.000 0.446 9 Y N -0.861 119.404 120.300 -0.059 0.000 2.286 9 Y HA 0.036 4.585 4.550 -0.000 0.000 0.293 9 Y C 1.561 177.471 175.900 0.017 0.000 1.124 9 Y CA 0.728 58.761 58.100 -0.111 0.000 1.178 9 Y CB -0.320 37.955 38.460 -0.309 0.000 1.010 9 Y HN 0.332 nan 8.280 nan 0.000 0.536 10 F N -1.008 118.985 119.950 0.073 0.000 2.656 10 F HA 0.137 4.664 4.527 -0.000 0.000 0.291 10 F C 0.509 176.302 175.800 -0.012 0.000 1.122 10 F CA 0.071 58.026 58.000 -0.074 0.000 1.427 10 F CB 0.326 39.298 39.000 -0.046 0.000 1.125 10 F HN -0.221 nan 8.300 nan 0.000 0.583 11 T N 0.314 115.001 114.554 0.222 0.000 2.908 11 T HA 0.621 4.971 4.350 -0.000 0.000 0.290 11 T C -0.420 174.358 174.700 0.131 0.000 1.034 11 T CA -0.678 61.516 62.100 0.157 0.000 1.010 11 T CB 1.967 70.928 68.868 0.155 0.000 1.068 11 T HN 0.023 nan 8.240 nan 0.000 0.481 12 A N 4.034 126.923 122.820 0.116 0.000 2.309 12 A HA 0.522 4.842 4.320 -0.000 0.000 0.290 12 A C -0.930 176.713 177.584 0.100 0.000 1.206 12 A CA -1.521 50.577 52.037 0.102 0.000 0.850 12 A CB 0.063 19.120 19.000 0.094 0.000 1.118 12 A HN 0.593 nan 8.150 nan 0.000 0.523 13 P HA -0.334 nan 4.420 nan 0.000 0.218 13 P C 1.494 178.836 177.300 0.069 0.000 1.154 13 P CA 2.532 65.677 63.100 0.075 0.000 0.872 13 P CB 0.125 31.862 31.700 0.061 0.000 0.790 14 A N -0.843 122.016 122.820 0.064 0.000 1.933 14 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 14 A C 2.401 180.020 177.584 0.058 0.000 1.175 14 A CA 2.429 54.498 52.037 0.052 0.000 0.628 14 A CB -1.347 17.682 19.000 0.049 0.000 0.814 14 A HN 0.165 nan 8.150 nan 0.000 0.444 15 M N -0.729 118.927 119.600 0.094 0.000 2.099 15 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 15 M C 2.071 178.477 176.300 0.176 0.000 1.067 15 M CA 1.971 57.358 55.300 0.146 0.000 1.124 15 M CB -0.316 32.400 32.600 0.193 0.000 1.353 15 M HN 0.364 nan 8.290 nan 0.000 0.410 16 R N -0.053 120.541 120.500 0.156 0.000 2.127 16 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 16 R C 1.979 178.345 176.300 0.109 0.000 1.134 16 R CA 1.879 58.074 56.100 0.158 0.000 0.975 16 R CB -0.478 29.896 30.300 0.124 0.000 0.865 16 R HN 0.438 nan 8.270 nan 0.000 0.447 17 E N 0.399 120.636 120.200 0.061 0.000 2.077 17 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 17 E C 1.760 178.343 176.600 -0.028 0.000 0.989 17 E CA 1.780 58.194 56.400 0.023 0.000 0.800 17 E CB -0.223 29.485 29.700 0.013 0.000 0.746 17 E HN 0.485 nan 8.360 nan 0.000 0.452 18 I N -0.595 119.919 120.570 -0.093 0.000 2.226 18 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 18 I C 0.420 176.299 176.117 -0.397 0.000 1.100 18 I CA 0.680 61.802 61.300 -0.297 0.000 1.374 18 I CB -0.113 37.595 38.000 -0.486 0.000 1.057 18 I HN 0.001 nan 8.210 nan 0.000 0.413 19 F N 1.849 121.825 119.950 0.045 0.000 2.441 19 F HA 0.226 4.753 4.527 -0.000 0.000 0.337 19 F C 0.676 176.499 175.800 0.038 0.000 1.182 19 F CA -0.535 57.490 58.000 0.043 0.000 1.279 19 F CB -0.163 38.870 39.000 0.054 0.000 1.614 19 F HN -0.067 nan 8.300 nan 0.000 0.574 20 S N -1.903 113.876 115.700 0.132 0.000 2.704 20 S HA 0.404 4.874 4.470 -0.000 0.000 0.296 20 S C 0.596 175.237 174.600 0.068 0.000 1.138 20 S CA -0.933 57.324 58.200 0.096 0.000 0.875 20 S CB 1.807 65.044 63.200 0.062 0.000 1.151 20 S HN 0.166 nan 8.310 nan 0.000 0.500 21 D N 0.560 120.992 120.400 0.053 0.000 2.117 21 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 21 D C 1.882 178.196 176.300 0.024 0.000 0.987 21 D CA 0.933 54.954 54.000 0.035 0.000 0.829 21 D CB -0.224 40.596 40.800 0.033 0.000 0.961 21 D HN 0.491 nan 8.370 nan 0.000 0.460 22 R N 0.897 121.413 120.500 0.028 0.000 2.083 22 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 22 R C 2.309 178.613 176.300 0.007 0.000 1.137 22 R CA 1.751 57.866 56.100 0.025 0.000 0.951 22 R CB -0.709 29.606 30.300 0.025 0.000 0.851 22 R HN 0.193 nan 8.270 nan 0.000 0.434 23 G N 0.665 109.461 108.800 -0.007 0.000 2.418 23 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 23 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 23 G C 1.610 176.487 174.900 -0.039 0.000 1.158 23 G CA 0.805 45.880 45.100 -0.042 0.000 0.771 23 G HN 0.362 nan 8.290 nan 0.000 0.545 24 R N -0.690 119.803 120.500 -0.013 0.000 2.070 24 R HA -0.002 4.338 4.340 -0.000 0.000 0.233 24 R C 2.432 178.709 176.300 -0.038 0.000 1.137 24 R CA 1.017 57.108 56.100 -0.016 0.000 0.945 24 R CB -0.399 29.898 30.300 -0.005 0.000 0.845 24 R HN 0.263 nan 8.270 nan 0.000 0.430 25 L N 1.151 122.353 121.223 -0.035 0.000 1.989 25 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 25 L C 2.506 179.358 176.870 -0.030 0.000 1.071 25 L CA 1.783 56.593 54.840 -0.050 0.000 0.749 25 L CB -1.138 40.904 42.059 -0.028 0.000 0.890 25 L HN 0.269 nan 8.230 nan 0.000 0.431 26 Q N -0.477 119.320 119.800 -0.004 0.000 2.135 26 Q HA -0.139 4.200 4.340 -0.000 0.000 0.204 26 Q C 2.141 178.147 176.000 0.010 0.000 0.981 26 Q CA 1.863 57.672 55.803 0.010 0.000 0.856 26 Q CB -0.781 27.963 28.738 0.009 0.000 0.902 26 Q HN 0.491 nan 8.270 nan 0.000 0.425 27 G N -0.101 108.697 108.800 -0.003 0.000 2.446 27 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 27 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 27 G C 1.380 176.307 174.900 0.045 0.000 1.168 27 G CA 1.077 46.183 45.100 0.010 0.000 0.771 27 G HN 0.373 nan 8.290 nan 0.000 0.551 28 M N -0.138 119.475 119.600 0.021 0.000 2.132 28 M HA 0.085 4.565 4.480 -0.000 0.000 0.263 28 M C 2.618 178.991 176.300 0.123 0.000 1.065 28 M CA 0.976 56.311 55.300 0.058 0.000 1.122 28 M CB -0.385 32.202 32.600 -0.022 0.000 1.365 28 M HN 0.147 nan 8.290 nan 0.000 0.411 29 L N -0.110 121.141 121.223 0.047 0.000 2.046 29 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 29 L C 1.854 178.763 176.870 0.065 0.000 1.077 29 L CA 1.111 55.977 54.840 0.044 0.000 0.747 29 L CB -0.813 41.262 42.059 0.026 0.000 0.896 29 L HN 0.251 nan 8.230 nan 0.000 0.432 30 D N -0.361 120.080 120.400 0.068 0.000 2.149 30 D HA -0.228 4.412 4.640 -0.000 0.000 0.198 30 D C 1.819 178.158 176.300 0.065 0.000 0.990 30 D CA 1.128 55.160 54.000 0.053 0.000 0.839 30 D CB -0.170 40.660 40.800 0.050 0.000 0.948 30 D HN 0.220 nan 8.370 nan 0.000 0.460 31 F N 1.810 121.751 119.950 -0.016 0.000 2.075 31 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 31 F C 2.091 177.879 175.800 -0.019 0.000 1.113 31 F CA 1.250 59.238 58.000 -0.021 0.000 1.218 31 F CB -0.041 38.959 39.000 0.000 0.000 0.984 31 F HN -0.194 nan 8.300 nan 0.000 0.472 32 E N 0.877 121.049 120.200 -0.046 0.000 2.058 32 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 32 E C 2.439 178.939 176.600 -0.167 0.000 0.997 32 E CA 1.356 57.683 56.400 -0.120 0.000 0.801 32 E CB -1.092 28.646 29.700 0.063 0.000 0.746 32 E HN 0.514 nan 8.360 nan 0.000 0.450 33 A N 1.543 124.307 122.820 -0.094 0.000 1.877 33 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 33 A C 2.438 179.937 177.584 -0.140 0.000 1.186 33 A CA 2.191 54.178 52.037 -0.083 0.000 0.620 33 A CB -0.629 18.349 19.000 -0.036 0.000 0.822 33 A HN 0.275 nan 8.150 nan 0.000 0.443 34 A N -0.619 122.093 122.820 -0.179 0.000 2.019 34 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 34 A C 2.160 179.558 177.584 -0.311 0.000 1.164 34 A CA 1.335 53.247 52.037 -0.208 0.000 0.644 34 A CB -0.491 18.400 19.000 -0.182 0.000 0.805 34 A HN 0.518 nan 8.150 nan 0.000 0.449 35 L N -0.746 120.199 121.223 -0.464 0.000 2.005 35 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 35 L C 2.954 179.654 176.870 -0.284 0.000 1.072 35 L CA 1.572 56.106 54.840 -0.509 0.000 0.744 35 L CB -0.593 41.065 42.059 -0.668 0.000 0.895 35 L HN 0.437 nan 8.230 nan 0.000 0.433 36 A N -0.190 122.506 122.820 -0.207 0.000 1.908 36 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 36 A C 2.362 179.847 177.584 -0.165 0.000 1.181 36 A CA 1.894 53.845 52.037 -0.144 0.000 0.627 36 A CB -0.647 18.293 19.000 -0.100 0.000 0.818 36 A HN 0.438 nan 8.150 nan 0.000 0.445 37 R N -0.661 119.746 120.500 -0.156 0.000 2.081 37 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 37 R C 2.313 178.529 176.300 -0.141 0.000 1.131 37 R CA 1.422 57.442 56.100 -0.134 0.000 0.960 37 R CB -0.339 29.898 30.300 -0.104 0.000 0.856 37 R HN 0.483 nan 8.270 nan 0.000 0.436 38 A N 0.552 123.275 122.820 -0.161 0.000 1.968 38 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 38 A C 1.747 179.255 177.584 -0.127 0.000 1.169 38 A CA 1.189 53.139 52.037 -0.145 0.000 0.638 38 A CB -0.194 18.692 19.000 -0.191 0.000 0.812 38 A HN 0.429 nan 8.150 nan 0.000 0.446 39 E N -0.177 119.940 120.200 -0.138 0.000 2.216 39 E HA 0.034 4.384 4.350 -0.000 0.000 0.192 39 E C 2.195 178.715 176.600 -0.134 0.000 0.988 39 E CA 0.577 56.918 56.400 -0.098 0.000 0.834 39 E CB -0.184 29.476 29.700 -0.065 0.000 0.772 39 E HN 0.612 nan 8.360 nan 0.000 0.479 40 A N 1.642 124.336 122.820 -0.210 0.000 1.877 40 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 40 A C 2.269 179.692 177.584 -0.268 0.000 1.186 40 A CA 1.707 53.531 52.037 -0.355 0.000 0.620 40 A CB -0.533 18.139 19.000 -0.548 0.000 0.822 40 A HN 0.297 nan 8.150 nan 0.000 0.443 41 S N -0.883 114.727 115.700 -0.149 0.000 2.660 41 S HA 0.392 4.862 4.470 -0.000 0.000 0.228 41 S C 1.169 175.753 174.600 -0.028 0.000 0.966 41 S CA 0.743 58.919 58.200 -0.039 0.000 0.940 41 S CB -0.079 63.113 63.200 -0.013 0.000 0.773 41 S HN 0.877 nan 8.310 nan 0.000 0.535 42 A N 0.234 123.025 122.820 -0.048 0.000 2.469 42 A HA 0.686 5.006 4.320 -0.000 0.000 0.245 42 A C 1.440 179.013 177.584 -0.018 0.000 1.221 42 A CA 0.144 52.168 52.037 -0.022 0.000 0.946 42 A CB -0.340 18.650 19.000 -0.017 0.000 1.049 42 A HN 1.443 nan 8.150 nan 0.000 0.529 43 G N -0.659 108.117 108.800 -0.040 0.000 2.149 43 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.235 43 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.235 43 G C 0.461 175.343 174.900 -0.029 0.000 1.018 43 G CA 0.362 45.443 45.100 -0.031 0.000 0.728 43 G HN 0.340 nan 8.290 nan 0.000 0.508 44 L N -0.963 120.232 121.223 -0.047 0.000 2.609 44 L HA 0.387 4.727 4.340 -0.000 0.000 0.230 44 L C 0.896 177.753 176.870 -0.022 0.000 1.087 44 L CA 0.858 55.699 54.840 0.000 0.000 0.874 44 L CB 0.594 42.667 42.059 0.023 0.000 1.114 44 L HN 0.170 nan 8.230 nan 0.000 0.488 45 V N 1.783 121.584 119.914 -0.188 0.000 2.638 45 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 45 V C -2.300 173.490 176.094 -0.507 0.000 1.052 45 V CA -1.346 60.676 62.300 -0.463 0.000 0.885 45 V CB 2.470 34.063 31.823 -0.382 0.000 0.999 45 V HN 0.026 nan 8.190 nan 0.000 0.424 46 P HA 0.134 nan 4.420 nan 0.000 0.271 46 P C 0.578 177.711 177.300 -0.278 0.000 1.220 46 P CA 0.123 63.024 63.100 -0.331 0.000 0.768 46 P CB 0.535 32.072 31.700 -0.272 0.000 0.848 47 H N 1.763 120.746 119.070 -0.146 0.000 2.492 47 H HA -0.111 4.445 4.556 -0.000 0.000 0.296 47 H C 1.929 177.202 175.328 -0.091 0.000 1.095 47 H CA 2.105 58.089 56.048 -0.107 0.000 1.281 47 H CB -0.205 29.512 29.762 -0.074 0.000 1.374 47 H HN 0.536 nan 8.280 nan 0.000 0.545 48 S N 0.226 115.934 115.700 0.013 0.000 2.406 48 S HA 0.008 4.478 4.470 -0.000 0.000 0.228 48 S C 2.411 176.995 174.600 -0.026 0.000 1.020 48 S CA 0.569 58.769 58.200 -0.001 0.000 0.965 48 S CB -0.095 63.105 63.200 0.001 0.000 0.798 48 S HN 0.409 nan 8.310 nan 0.000 0.488 49 A N 1.612 124.381 122.820 -0.086 0.000 1.930 49 A HA 0.200 4.520 4.320 -0.000 0.000 0.215 49 A C 2.340 179.888 177.584 -0.059 0.000 1.176 49 A CA 1.148 53.144 52.037 -0.069 0.000 0.632 49 A CB -1.001 17.905 19.000 -0.157 0.000 0.819 49 A HN 0.405 nan 8.150 nan 0.000 0.445 50 V N 0.232 120.086 119.914 -0.100 0.000 2.282 50 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 50 V C 3.042 179.118 176.094 -0.029 0.000 1.057 50 V CA 2.150 64.404 62.300 -0.077 0.000 1.032 50 V CB -1.327 30.440 31.823 -0.093 0.000 0.645 50 V HN 0.606 nan 8.190 nan 0.000 0.447 51 A N -0.184 122.628 122.820 -0.012 0.000 1.902 51 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 51 A C 2.432 180.019 177.584 0.006 0.000 1.181 51 A CA 2.056 54.094 52.037 0.001 0.000 0.623 51 A CB -0.772 18.232 19.000 0.007 0.000 0.818 51 A HN 0.588 nan 8.150 nan 0.000 0.443 52 A N -0.003 122.822 122.820 0.009 0.000 1.902 52 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 52 A C 2.133 179.735 177.584 0.029 0.000 1.181 52 A CA 1.540 53.589 52.037 0.021 0.000 0.623 52 A CB -0.601 18.417 19.000 0.030 0.000 0.818 52 A HN 0.497 nan 8.150 nan 0.000 0.443 53 I N -0.418 120.168 120.570 0.026 0.000 2.142 53 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 53 I C 2.517 178.653 176.117 0.032 0.000 1.078 53 I CA 1.698 63.019 61.300 0.035 0.000 1.343 53 I CB -0.568 37.445 38.000 0.021 0.000 1.046 53 I HN 0.423 nan 8.210 nan 0.000 0.405 54 E N 0.977 121.185 120.200 0.013 0.000 2.130 54 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 54 E C 2.257 178.872 176.600 0.025 0.000 0.998 54 E CA 1.412 57.820 56.400 0.013 0.000 0.806 54 E CB -0.262 29.438 29.700 0.000 0.000 0.738 54 E HN 0.547 nan 8.360 nan 0.000 0.459 55 A N 0.965 123.798 122.820 0.023 0.000 2.070 55 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 55 A C 2.196 179.799 177.584 0.031 0.000 1.159 55 A CA 1.484 53.534 52.037 0.021 0.000 0.656 55 A CB -0.212 18.796 19.000 0.013 0.000 0.800 55 A HN 0.275 nan 8.150 nan 0.000 0.453 56 A N -2.074 120.780 122.820 0.057 0.000 2.220 56 A HA 0.206 4.526 4.320 -0.000 0.000 0.211 56 A C 1.116 178.811 177.584 0.185 0.000 1.176 56 A CA 0.401 52.495 52.037 0.096 0.000 0.834 56 A CB -0.543 18.528 19.000 0.119 0.000 0.868 56 A HN 0.441 nan 8.150 nan 0.000 0.488 57 C N 1.734 121.112 119.300 0.130 0.000 3.093 57 C HA 0.540 5.000 4.460 -0.000 0.000 0.515 57 C C 0.972 176.040 174.990 0.129 0.000 1.253 57 C CA 0.644 59.742 59.018 0.133 0.000 1.476 57 C CB -2.097 25.684 27.740 0.068 0.000 1.873 57 C HN 0.657 nan 8.230 nan 0.000 0.632 58 Q N -0.129 119.781 119.800 0.184 0.000 2.309 58 Q HA 0.650 4.990 4.340 -0.000 0.000 0.270 58 Q C 0.697 176.821 176.000 0.206 0.000 1.023 58 Q CA 0.194 56.074 55.803 0.129 0.000 0.758 58 Q CB 1.120 29.894 28.738 0.059 0.000 1.247 58 Q HN 0.634 nan 8.270 nan 0.000 0.455 59 A N 1.181 124.106 122.820 0.175 0.000 1.958 59 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 59 A C 1.687 179.386 177.584 0.191 0.000 1.178 59 A CA 2.352 54.514 52.037 0.209 0.000 0.642 59 A CB -0.159 18.902 19.000 0.100 0.000 0.816 59 A HN 0.891 nan 8.150 nan 0.000 0.453 60 E N -0.529 119.722 120.200 0.086 0.000 2.171 60 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 60 E C 2.256 178.834 176.600 -0.036 0.000 0.997 60 E CA 2.001 58.417 56.400 0.027 0.000 0.810 60 E CB -0.700 29.003 29.700 0.005 0.000 0.738 60 E HN 0.670 nan 8.360 nan 0.000 0.467 61 R N 0.320 120.739 120.500 -0.134 0.000 2.339 61 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 61 R C 0.026 175.934 176.300 -0.654 0.000 1.018 61 R CA 0.827 56.689 56.100 -0.397 0.000 1.036 61 R CB -1.164 28.822 30.300 -0.523 0.000 0.899 61 R HN 0.227 nan 8.270 nan 0.000 0.473 62 Y N -1.466 118.835 120.300 0.001 0.000 2.549 62 Y HA 0.450 5.000 4.550 -0.000 0.000 0.339 62 Y C -0.265 175.635 175.900 -0.000 0.000 1.053 62 Y CA -2.012 56.088 58.100 -0.000 0.000 1.105 62 Y CB 1.866 40.325 38.460 -0.002 0.000 1.258 62 Y HN 0.133 nan 8.280 nan 0.000 0.478 63 D N 0.292 120.784 120.400 0.154 0.000 2.443 63 D HA 0.199 4.839 4.640 -0.000 0.000 0.221 63 D C 0.540 176.888 176.300 0.080 0.000 1.097 63 D CA -0.012 54.039 54.000 0.084 0.000 0.865 63 D CB 1.230 42.062 40.800 0.053 0.000 1.034 63 D HN 0.592 nan 8.370 nan 0.000 0.511 64 T N 2.264 116.857 114.554 0.066 0.000 2.665 64 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 64 T C 1.877 176.598 174.700 0.034 0.000 1.035 64 T CA 1.594 63.722 62.100 0.046 0.000 1.151 64 T CB -0.405 68.487 68.868 0.039 0.000 0.862 64 T HN 0.606 nan 8.240 nan 0.000 0.438 65 G N 1.088 109.907 108.800 0.032 0.000 2.476 65 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 65 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 65 G C 1.825 176.740 174.900 0.025 0.000 1.164 65 G CA 1.116 46.232 45.100 0.026 0.000 0.768 65 G HN 0.609 nan 8.290 nan 0.000 0.560 66 A N 0.466 123.304 122.820 0.030 0.000 1.877 66 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 66 A C 2.471 180.070 177.584 0.025 0.000 1.186 66 A CA 1.367 53.421 52.037 0.029 0.000 0.620 66 A CB -0.430 18.592 19.000 0.036 0.000 0.822 66 A HN 0.355 nan 8.150 nan 0.000 0.443 67 L N -0.643 120.596 121.223 0.027 0.000 2.046 67 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 67 L C 3.100 179.971 176.870 0.002 0.000 1.077 67 L CA 1.050 55.895 54.840 0.008 0.000 0.747 67 L CB -0.597 41.460 42.059 -0.003 0.000 0.896 67 L HN 0.434 nan 8.230 nan 0.000 0.432 68 A N 0.383 123.208 122.820 0.010 0.000 1.917 68 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 68 A C 2.087 179.682 177.584 0.018 0.000 1.182 68 A CA 2.119 54.164 52.037 0.013 0.000 0.633 68 A CB -0.628 18.384 19.000 0.019 0.000 0.819 68 A HN 0.502 nan 8.150 nan 0.000 0.448 69 N N 0.124 118.834 118.700 0.017 0.000 2.270 69 N HA -0.058 4.682 4.740 -0.000 0.000 0.181 69 N C 1.902 177.422 175.510 0.017 0.000 1.016 69 N CA 1.301 54.361 53.050 0.018 0.000 0.870 69 N CB -0.400 38.097 38.487 0.017 0.000 0.979 69 N HN 0.502 nan 8.380 nan 0.000 0.431 70 A N 1.605 124.433 122.820 0.013 0.000 1.898 70 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 70 A C 2.287 179.878 177.584 0.012 0.000 1.181 70 A CA 0.671 52.715 52.037 0.010 0.000 0.620 70 A CB -0.588 18.414 19.000 0.003 0.000 0.819 70 A HN 0.145 nan 8.150 nan 0.000 0.442 71 I N 0.033 120.609 120.570 0.010 0.000 2.264 71 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 71 I C 2.822 178.968 176.117 0.049 0.000 1.111 71 I CA 1.044 62.355 61.300 0.019 0.000 1.382 71 I CB -0.271 37.734 38.000 0.009 0.000 1.060 71 I HN 0.362 nan 8.210 nan 0.000 0.418 72 A N -0.268 122.577 122.820 0.042 0.000 2.125 72 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 72 A C 2.209 179.816 177.584 0.039 0.000 1.156 72 A CA 2.199 54.262 52.037 0.043 0.000 0.671 72 A CB -0.635 18.383 19.000 0.031 0.000 0.794 72 A HN 0.433 nan 8.150 nan 0.000 0.459 73 T N -1.748 112.827 114.554 0.035 0.000 2.978 73 T HA 0.365 4.715 4.350 -0.000 0.000 0.248 73 T C 2.056 176.780 174.700 0.039 0.000 1.018 73 T CA 0.576 62.695 62.100 0.031 0.000 1.026 73 T CB 0.205 69.086 68.868 0.022 0.000 1.032 73 T HN 0.474 nan 8.240 nan 0.000 0.485 74 A N 0.909 123.755 122.820 0.043 0.000 1.930 74 A HA 0.504 4.824 4.320 -0.000 0.000 0.215 74 A C 2.158 179.796 177.584 0.089 0.000 1.176 74 A CA 1.429 53.496 52.037 0.049 0.000 0.632 74 A CB -0.749 18.267 19.000 0.025 0.000 0.819 74 A HN 0.757 nan 8.150 nan 0.000 0.445 75 G N -1.002 107.872 108.800 0.123 0.000 2.195 75 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.224 75 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.224 75 G C -0.042 175.046 174.900 0.314 0.000 0.990 75 G CA 0.882 46.115 45.100 0.222 0.000 0.639 75 G HN 1.474 nan 8.290 nan 0.000 0.514 76 N N -1.615 117.173 118.700 0.147 0.000 3.106 76 N HA 0.584 5.324 4.740 -0.000 0.000 0.253 76 N C 0.796 176.214 175.510 -0.153 0.000 1.506 76 N CA 0.496 53.526 53.050 -0.034 0.000 0.876 76 N CB 0.378 38.849 38.487 -0.026 0.000 1.452 76 N HN 0.455 nan 8.380 nan 0.000 0.542 77 S N -1.984 113.516 115.700 -0.333 0.000 2.483 77 S HA 0.281 4.750 4.470 -0.000 0.000 0.221 77 S C 1.708 176.191 174.600 -0.194 0.000 1.030 77 S CA 0.395 58.442 58.200 -0.255 0.000 0.925 77 S CB -0.554 62.441 63.200 -0.340 0.000 0.795 77 S HN 0.776 nan 8.310 nan 0.000 0.511 78 A N 3.370 126.079 122.820 -0.184 0.000 1.858 78 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 78 A C 2.256 179.740 177.584 -0.166 0.000 1.190 78 A CA 1.541 53.488 52.037 -0.151 0.000 0.617 78 A CB -1.049 17.894 19.000 -0.094 0.000 0.827 78 A HN 0.799 nan 8.150 nan 0.000 0.443 79 I N -1.651 118.844 120.570 -0.126 0.000 2.226 79 I HA -0.105 4.064 4.170 -0.000 0.000 0.245 79 I C -0.898 175.157 176.117 -0.103 0.000 1.100 79 I CA 1.673 62.900 61.300 -0.121 0.000 1.374 79 I CB -1.330 36.635 38.000 -0.059 0.000 1.057 79 I HN 0.112 nan 8.210 nan 0.000 0.413 80 P HA -0.077 nan 4.420 nan 0.000 0.220 80 P C 1.928 179.172 177.300 -0.093 0.000 1.152 80 P CA 0.903 63.963 63.100 -0.066 0.000 0.812 80 P CB -0.007 31.663 31.700 -0.050 0.000 0.792 81 L N -0.520 120.619 121.223 -0.141 0.000 2.027 81 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 81 L C 2.135 178.886 176.870 -0.198 0.000 1.074 81 L CA 1.803 56.517 54.840 -0.210 0.000 0.745 81 L CB -1.180 40.739 42.059 -0.234 0.000 0.898 81 L HN -0.213 nan 8.230 nan 0.000 0.433 82 V N 0.080 119.888 119.914 -0.177 0.000 2.392 82 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 82 V C 2.673 178.719 176.094 -0.081 0.000 1.059 82 V CA 2.115 64.324 62.300 -0.151 0.000 1.051 82 V CB -0.720 30.932 31.823 -0.285 0.000 0.658 82 V HN 0.532 nan 8.190 nan 0.000 0.455 83 K N 0.188 120.545 120.400 -0.072 0.000 2.026 83 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 83 K C 2.213 178.821 176.600 0.014 0.000 1.048 83 K CA 1.544 57.816 56.287 -0.025 0.000 0.929 83 K CB -0.334 32.152 32.500 -0.023 0.000 0.713 83 K HN 0.418 nan 8.250 nan 0.000 0.439 84 A N 1.281 124.112 122.820 0.019 0.000 1.933 84 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 84 A C 2.025 179.742 177.584 0.221 0.000 1.175 84 A CA 1.321 53.428 52.037 0.117 0.000 0.628 84 A CB -0.581 18.506 19.000 0.144 0.000 0.814 84 A HN 0.411 nan 8.150 nan 0.000 0.444 85 L N 0.190 121.482 121.223 0.114 0.000 2.046 85 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 85 L C 2.333 179.287 176.870 0.139 0.000 1.077 85 L CA 2.394 57.342 54.840 0.180 0.000 0.747 85 L CB -1.176 40.900 42.059 0.028 0.000 0.896 85 L HN 0.271 nan 8.230 nan 0.000 0.432 86 G N -0.876 107.971 108.800 0.078 0.000 2.418 86 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 86 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 86 G C 1.673 176.610 174.900 0.063 0.000 1.158 86 G CA 1.202 46.339 45.100 0.062 0.000 0.771 86 G HN 0.548 nan 8.290 nan 0.000 0.545 87 K N 0.175 120.615 120.400 0.068 0.000 2.362 87 K HA 0.352 4.671 4.320 -0.000 0.000 0.200 87 K C 2.374 179.005 176.600 0.052 0.000 1.046 87 K CA 1.253 57.573 56.287 0.054 0.000 0.952 87 K CB -0.488 32.042 32.500 0.052 0.000 0.753 87 K HN 0.281 nan 8.250 nan 0.000 0.466 88 V N 0.582 120.541 119.914 0.076 0.000 2.599 88 V HA 0.001 4.121 4.120 -0.000 0.000 0.245 88 V C 2.256 178.374 176.094 0.040 0.000 1.046 88 V CA 0.991 63.316 62.300 0.042 0.000 1.065 88 V CB -0.098 31.750 31.823 0.043 0.000 0.703 88 V HN 0.532 nan 8.190 nan 0.000 0.464 89 I N 0.550 121.157 120.570 0.062 0.000 2.546 89 I HA -0.129 4.040 4.170 -0.000 0.000 0.255 89 I C 2.574 178.717 176.117 0.043 0.000 1.163 89 I CA 1.086 62.419 61.300 0.055 0.000 1.457 89 I CB -0.456 37.586 38.000 0.070 0.000 1.092 89 I HN 0.281 nan 8.210 nan 0.000 0.434 90 A N 0.723 123.567 122.820 0.040 0.000 1.898 90 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 90 A C 2.377 179.974 177.584 0.023 0.000 1.181 90 A CA 2.285 54.341 52.037 0.031 0.000 0.620 90 A CB -1.043 17.973 19.000 0.027 0.000 0.819 90 A HN 0.324 nan 8.150 nan 0.000 0.442 91 T N -0.399 114.166 114.554 0.018 0.000 2.685 91 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 91 T C 1.745 176.451 174.700 0.010 0.000 1.034 91 T CA 1.863 63.968 62.100 0.010 0.000 1.149 91 T CB -0.473 68.396 68.868 0.001 0.000 0.860 91 T HN 0.614 nan 8.240 nan 0.000 0.449 92 G N 0.074 108.882 108.800 0.013 0.000 2.664 92 G HA2 0.158 4.118 3.960 -0.000 0.000 0.216 92 G HA3 0.158 4.118 3.960 -0.000 0.000 0.216 92 G C 0.327 175.239 174.900 0.020 0.000 1.243 92 G CA -0.018 45.090 45.100 0.014 0.000 0.859 92 G HN 0.405 nan 8.290 nan 0.000 0.574 93 V N 2.846 122.777 119.914 0.028 0.000 2.192 93 V HA 0.228 4.348 4.120 -0.000 0.000 0.264 93 V C -1.516 174.606 176.094 0.045 0.000 1.155 93 V CA -0.993 61.328 62.300 0.036 0.000 1.005 93 V CB 1.227 33.075 31.823 0.040 0.000 1.201 93 V HN 0.132 nan 8.190 nan 0.000 0.468 94 P HA -0.232 nan 4.420 nan 0.000 0.218 94 P C 1.463 178.789 177.300 0.043 0.000 1.154 94 P CA 1.356 64.477 63.100 0.035 0.000 0.872 94 P CB 0.239 31.954 31.700 0.025 0.000 0.790 95 E N -0.728 119.506 120.200 0.057 0.000 2.494 95 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 95 E C 1.336 178.025 176.600 0.147 0.000 1.074 95 E CA 0.668 57.113 56.400 0.075 0.000 0.867 95 E CB -0.697 29.051 29.700 0.080 0.000 0.924 95 E HN 0.184 nan 8.360 nan 0.000 0.502 96 A N 1.226 124.134 122.820 0.146 0.000 2.044 96 A HA -0.015 4.305 4.320 -0.000 0.000 0.213 96 A C 2.045 179.750 177.584 0.201 0.000 1.169 96 A CA 0.613 52.789 52.037 0.232 0.000 0.724 96 A CB -0.274 18.805 19.000 0.133 0.000 0.840 96 A HN 0.277 nan 8.150 nan 0.000 0.463 97 E N 1.078 121.336 120.200 0.098 0.000 2.147 97 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 97 E C 1.989 178.599 176.600 0.017 0.000 1.005 97 E CA 1.647 58.081 56.400 0.057 0.000 0.810 97 E CB -0.160 29.559 29.700 0.031 0.000 0.736 97 E HN 0.726 nan 8.360 nan 0.000 0.460 98 R N -0.820 119.635 120.500 -0.075 0.000 2.339 98 R HA -0.107 4.233 4.340 -0.000 0.000 0.199 98 R C 0.802 176.925 176.300 -0.295 0.000 1.018 98 R CA 1.003 56.975 56.100 -0.214 0.000 1.036 98 R CB -0.203 29.893 30.300 -0.340 0.000 0.899 98 R HN 0.306 nan 8.270 nan 0.000 0.473 99 Y N 0.069 120.380 120.300 0.018 0.000 2.458 99 Y HA 0.190 4.740 4.550 0.000 0.000 0.254 99 Y C 1.066 176.978 175.900 0.019 0.000 1.120 99 Y CA -0.449 57.657 58.100 0.010 0.000 1.282 99 Y CB 0.766 39.220 38.460 -0.010 0.000 1.109 99 Y HN -0.111 nan 8.280 nan 0.000 0.526 100 V N 1.858 121.869 119.914 0.161 0.000 2.655 100 V HA -0.024 4.096 4.120 -0.000 0.000 0.300 100 V C 0.980 177.191 176.094 0.195 0.000 1.044 100 V CA 0.257 62.641 62.300 0.140 0.000 1.095 100 V CB 0.098 31.990 31.823 0.115 0.000 0.952 100 V HN 0.719 nan 8.190 nan 0.000 0.485 101 H N 2.773 121.876 119.070 0.055 0.000 2.820 101 H HA -0.184 4.371 4.556 -0.000 0.000 0.295 101 H C -0.248 175.141 175.328 0.101 0.000 1.187 101 H CA 0.620 56.723 56.048 0.093 0.000 1.144 101 H CB -0.485 29.335 29.762 0.096 0.000 1.354 101 H HN 0.595 nan 8.280 nan 0.000 0.395 102 L N 0.926 122.188 121.223 0.064 0.000 2.477 102 L HA 0.315 4.655 4.340 -0.000 0.000 0.272 102 L C 1.462 178.352 176.870 0.034 0.000 1.157 102 L CA 1.760 56.632 54.840 0.054 0.000 0.889 102 L CB 0.358 42.470 42.059 0.089 0.000 1.158 102 L HN 0.451 nan 8.230 nan 0.000 0.473 103 G N 3.066 111.873 108.800 0.011 0.000 2.184 103 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.264 103 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.264 103 G C 0.254 175.117 174.900 -0.061 0.000 0.975 103 G CA 0.266 45.361 45.100 -0.007 0.000 0.642 103 G HN 1.239 nan 8.290 nan 0.000 0.536 104 A N -0.918 121.831 122.820 -0.118 0.000 2.337 104 A HA 0.912 5.232 4.320 -0.000 0.000 0.331 104 A C 0.185 177.666 177.584 -0.171 0.000 1.137 104 A CA 0.675 52.633 52.037 -0.131 0.000 0.807 104 A CB 1.668 20.680 19.000 0.020 0.000 1.250 104 A HN 1.063 nan 8.150 nan 0.000 0.468 105 T N -0.395 114.148 114.554 -0.019 0.000 2.945 105 T HA 0.398 4.748 4.350 -0.000 0.000 0.286 105 T C 1.496 176.298 174.700 0.170 0.000 1.025 105 T CA 0.228 62.371 62.100 0.073 0.000 1.039 105 T CB 0.995 69.813 68.868 -0.083 0.000 1.068 105 T HN 0.596 nan 8.240 nan 0.000 0.497 106 S N 1.516 117.315 115.700 0.165 0.000 2.368 106 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 106 S C 1.940 176.575 174.600 0.060 0.000 1.044 106 S CA 1.933 60.207 58.200 0.124 0.000 1.062 106 S CB -0.490 62.768 63.200 0.097 0.000 0.931 106 S HN 0.822 nan 8.310 nan 0.000 0.440 107 Q N 0.499 120.287 119.800 -0.021 0.000 2.234 107 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 107 Q C 1.281 177.200 176.000 -0.136 0.000 0.980 107 Q CA 1.455 57.205 55.803 -0.089 0.000 0.869 107 Q CB -0.108 28.312 28.738 -0.530 0.000 0.912 107 Q HN 0.467 nan 8.270 nan 0.000 0.436 108 D N -0.083 120.240 120.400 -0.128 0.000 2.097 108 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 108 D C 1.683 177.561 176.300 -0.704 0.000 0.989 108 D CA 1.450 55.311 54.000 -0.232 0.000 0.827 108 D CB -0.230 40.565 40.800 -0.010 0.000 0.966 108 D HN 0.395 nan 8.370 nan 0.000 0.456 109 A N 0.711 123.149 122.820 -0.636 0.000 1.898 109 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 109 A C 2.311 179.666 177.584 -0.382 0.000 1.181 109 A CA 1.302 52.896 52.037 -0.739 0.000 0.620 109 A CB -0.497 18.473 19.000 -0.050 0.000 0.819 109 A HN 0.132 nan 8.150 nan 0.000 0.442 110 M N -0.696 118.779 119.600 -0.208 0.000 2.077 110 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 110 M C 1.683 177.926 176.300 -0.095 0.000 1.070 110 M CA 1.729 56.944 55.300 -0.142 0.000 1.125 110 M CB -0.608 31.940 32.600 -0.087 0.000 1.339 110 M HN 0.281 nan 8.290 nan 0.000 0.409 111 D N 0.013 120.362 120.400 -0.084 0.000 2.097 111 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 111 D C 2.003 178.286 176.300 -0.030 0.000 0.989 111 D CA 1.589 55.557 54.000 -0.052 0.000 0.827 111 D CB -0.464 40.167 40.800 -0.282 0.000 0.966 111 D HN 0.282 nan 8.370 nan 0.000 0.456 112 T N -0.095 114.369 114.554 -0.150 0.000 2.746 112 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 112 T C 1.955 176.649 174.700 -0.010 0.000 1.039 112 T CA 1.467 63.528 62.100 -0.064 0.000 1.142 112 T CB -0.657 68.107 68.868 -0.172 0.000 0.866 112 T HN 0.256 nan 8.240 nan 0.000 0.444 113 G N 1.387 110.149 108.800 -0.063 0.000 2.440 113 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 113 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 113 G C 1.501 176.409 174.900 0.013 0.000 1.154 113 G CA 0.466 45.561 45.100 -0.009 0.000 0.767 113 G HN 0.437 nan 8.290 nan 0.000 0.552 114 L N 0.527 121.768 121.223 0.030 0.000 2.012 114 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 114 L C 2.977 179.906 176.870 0.098 0.000 1.073 114 L CA 1.332 56.227 54.840 0.093 0.000 0.748 114 L CB -0.369 41.770 42.059 0.135 0.000 0.891 114 L HN 0.154 nan 8.230 nan 0.000 0.431 115 V N 0.507 120.484 119.914 0.105 0.000 2.332 115 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 115 V C 2.560 178.666 176.094 0.020 0.000 1.055 115 V CA 1.860 64.206 62.300 0.077 0.000 1.038 115 V CB -0.440 31.461 31.823 0.130 0.000 0.651 115 V HN 0.419 nan 8.190 nan 0.000 0.450 116 L N -0.629 120.609 121.223 0.026 0.000 2.012 116 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 116 L C 2.712 179.559 176.870 -0.039 0.000 1.073 116 L CA 1.832 56.672 54.840 -0.000 0.000 0.748 116 L CB -0.667 41.400 42.059 0.013 0.000 0.891 116 L HN 0.391 nan 8.230 nan 0.000 0.431 117 Q N -0.169 119.601 119.800 -0.051 0.000 2.124 117 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 117 Q C 2.358 178.289 176.000 -0.117 0.000 0.977 117 Q CA 1.200 56.911 55.803 -0.152 0.000 0.850 117 Q CB -0.155 28.459 28.738 -0.205 0.000 0.901 117 Q HN 0.523 nan 8.270 nan 0.000 0.429 118 L N 0.365 121.584 121.223 -0.007 0.000 2.131 118 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 118 L C 2.687 179.484 176.870 -0.121 0.000 1.092 118 L CA 0.930 55.750 54.840 -0.033 0.000 0.759 118 L CB -0.440 41.516 42.059 -0.172 0.000 0.903 118 L HN 0.221 nan 8.230 nan 0.000 0.435 119 R N 0.393 120.834 120.500 -0.098 0.000 2.073 119 R HA -0.172 4.167 4.340 -0.000 0.000 0.234 119 R C 1.753 178.027 176.300 -0.043 0.000 1.134 119 R CA 1.856 57.909 56.100 -0.078 0.000 0.952 119 R CB -0.161 30.108 30.300 -0.052 0.000 0.850 119 R HN 0.334 nan 8.270 nan 0.000 0.433 120 D N 0.317 120.686 120.400 -0.052 0.000 2.117 120 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 120 D C 1.720 178.014 176.300 -0.009 0.000 0.987 120 D CA 1.479 55.453 54.000 -0.042 0.000 0.829 120 D CB -0.235 40.516 40.800 -0.083 0.000 0.961 120 D HN 0.351 nan 8.370 nan 0.000 0.460 121 A N 1.016 123.838 122.820 0.003 0.000 1.902 121 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 121 A C 2.295 179.987 177.584 0.180 0.000 1.181 121 A CA 0.734 52.847 52.037 0.128 0.000 0.623 121 A CB -0.807 18.372 19.000 0.298 0.000 0.818 121 A HN 0.243 nan 8.150 nan 0.000 0.443 122 L N -0.491 120.813 121.223 0.135 0.000 2.042 122 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 122 L C 1.934 178.876 176.870 0.120 0.000 1.076 122 L CA 2.120 57.056 54.840 0.160 0.000 0.749 122 L CB -0.545 41.532 42.059 0.029 0.000 0.893 122 L HN 0.355 nan 8.230 nan 0.000 0.432 123 D N -0.206 120.237 120.400 0.071 0.000 2.123 123 D HA -0.200 4.439 4.640 -0.000 0.000 0.196 123 D C 2.334 178.677 176.300 0.071 0.000 0.992 123 D CA 1.096 55.132 54.000 0.060 0.000 0.833 123 D CB -0.113 40.707 40.800 0.034 0.000 0.954 123 D HN 0.320 nan 8.370 nan 0.000 0.455 124 L N 0.281 121.551 121.223 0.077 0.000 2.027 124 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 124 L C 2.539 179.463 176.870 0.091 0.000 1.074 124 L CA 0.760 55.647 54.840 0.079 0.000 0.745 124 L CB -0.347 41.761 42.059 0.083 0.000 0.898 124 L HN 0.039 nan 8.230 nan 0.000 0.433 125 I N -0.171 120.468 120.570 0.115 0.000 2.264 125 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 125 I C 2.443 178.618 176.117 0.098 0.000 1.111 125 I CA 1.381 62.746 61.300 0.110 0.000 1.382 125 I CB -0.275 37.808 38.000 0.139 0.000 1.060 125 I HN 0.334 nan 8.210 nan 0.000 0.418 126 E N 0.831 121.096 120.200 0.108 0.000 2.106 126 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 126 E C 2.343 178.999 176.600 0.094 0.000 0.984 126 E CA 1.149 57.612 56.400 0.106 0.000 0.806 126 E CB -0.115 29.655 29.700 0.116 0.000 0.750 126 E HN 0.518 nan 8.360 nan 0.000 0.458 127 A N 2.080 124.950 122.820 0.083 0.000 1.835 127 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 127 A C 1.793 179.418 177.584 0.068 0.000 1.199 127 A CA 1.874 53.955 52.037 0.073 0.000 0.615 127 A CB -0.589 18.449 19.000 0.063 0.000 0.838 127 A HN 0.075 nan 8.150 nan 0.000 0.444 128 D N 0.011 120.450 120.400 0.065 0.000 2.133 128 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 128 D C 1.938 178.266 176.300 0.047 0.000 0.997 128 D CA 1.128 55.162 54.000 0.056 0.000 0.840 128 D CB -0.415 40.420 40.800 0.058 0.000 0.947 128 D HN 0.428 nan 8.370 nan 0.000 0.452 129 L N 0.398 121.650 121.223 0.049 0.000 1.994 129 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 129 L C 2.597 179.486 176.870 0.031 0.000 1.071 129 L CA 1.607 56.465 54.840 0.030 0.000 0.745 129 L CB -0.842 41.237 42.059 0.033 0.000 0.892 129 L HN 0.124 nan 8.230 nan 0.000 0.431 130 G N -0.312 108.529 108.800 0.068 0.000 2.440 130 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 130 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 130 G C 1.664 176.620 174.900 0.094 0.000 1.154 130 G CA 1.035 46.201 45.100 0.109 0.000 0.767 130 G HN 0.302 nan 8.290 nan 0.000 0.552 131 K N -0.280 120.161 120.400 0.067 0.000 2.026 131 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 131 K C 2.445 179.059 176.600 0.025 0.000 1.048 131 K CA 1.330 57.649 56.287 0.054 0.000 0.929 131 K CB -0.306 32.223 32.500 0.049 0.000 0.713 131 K HN 0.245 nan 8.250 nan 0.000 0.439 132 L N 1.067 122.294 121.223 0.006 0.000 2.083 132 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 132 L C 2.184 178.997 176.870 -0.096 0.000 1.083 132 L CA 2.031 56.849 54.840 -0.036 0.000 0.752 132 L CB -0.649 41.386 42.059 -0.040 0.000 0.899 132 L HN 0.258 nan 8.230 nan 0.000 0.433 133 A N -0.963 121.798 122.820 -0.099 0.000 1.902 133 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 133 A C 2.030 179.404 177.584 -0.350 0.000 1.181 133 A CA 1.757 53.656 52.037 -0.232 0.000 0.623 133 A CB -0.755 18.160 19.000 -0.143 0.000 0.818 133 A HN 0.514 nan 8.150 nan 0.000 0.443 134 D N -0.589 119.748 120.400 -0.105 0.000 2.087 134 D HA -0.153 4.487 4.640 -0.000 0.000 0.192 134 D C 2.360 178.633 176.300 -0.045 0.000 0.993 134 D CA 2.440 56.440 54.000 -0.000 0.000 0.828 134 D CB -0.713 40.151 40.800 0.107 0.000 0.968 134 D HN 0.545 nan 8.370 nan 0.000 0.448 135 T N -0.178 114.359 114.554 -0.029 0.000 2.788 135 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 135 T C 2.059 176.730 174.700 -0.048 0.000 1.044 135 T CA 0.753 62.843 62.100 -0.016 0.000 1.139 135 T CB -0.368 68.502 68.868 0.004 0.000 0.867 135 T HN -0.039 nan 8.240 nan 0.000 0.454 136 L N 1.453 122.608 121.223 -0.112 0.000 2.131 136 L HA 0.103 4.442 4.340 -0.000 0.000 0.210 136 L C 2.943 179.733 176.870 -0.134 0.000 1.092 136 L CA 1.797 56.548 54.840 -0.149 0.000 0.759 136 L CB -1.241 40.675 42.059 -0.239 0.000 0.903 136 L HN 0.446 nan 8.230 nan 0.000 0.435 137 S N -1.305 114.286 115.700 -0.181 0.000 2.356 137 S HA -0.237 4.233 4.470 -0.000 0.000 0.223 137 S C 1.912 176.493 174.600 -0.031 0.000 1.032 137 S CA 1.524 59.638 58.200 -0.144 0.000 1.005 137 S CB -0.067 63.011 63.200 -0.202 0.000 0.867 137 S HN 0.603 nan 8.310 nan 0.000 0.449 138 Q N 0.149 119.944 119.800 -0.007 0.000 2.020 138 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 138 Q C 2.595 178.625 176.000 0.049 0.000 0.982 138 Q CA 1.414 57.234 55.803 0.027 0.000 0.838 138 Q CB -0.340 28.419 28.738 0.034 0.000 0.899 138 Q HN 0.527 nan 8.270 nan 0.000 0.423 139 Q N 0.392 120.228 119.800 0.060 0.000 2.096 139 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 139 Q C 2.170 178.260 176.000 0.150 0.000 0.993 139 Q CA 1.699 57.583 55.803 0.134 0.000 0.862 139 Q CB -0.575 28.214 28.738 0.084 0.000 0.915 139 Q HN 0.421 nan 8.270 nan 0.000 0.416 140 A N 1.048 123.905 122.820 0.061 0.000 1.873 140 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 140 A C 2.317 179.945 177.584 0.073 0.000 1.193 140 A CA 1.554 53.624 52.037 0.055 0.000 0.629 140 A CB -0.897 18.107 19.000 0.007 0.000 0.826 140 A HN 0.322 nan 8.150 nan 0.000 0.447 141 L N -0.803 120.451 121.223 0.051 0.000 2.017 141 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 141 L C 2.669 179.551 176.870 0.020 0.000 1.073 141 L CA 2.005 56.867 54.840 0.036 0.000 0.745 141 L CB -0.471 41.605 42.059 0.028 0.000 0.894 141 L HN 0.511 nan 8.230 nan 0.000 0.432 142 K N -0.202 120.209 120.400 0.018 0.000 2.074 142 K HA -0.227 4.092 4.320 -0.000 0.000 0.209 142 K C 1.072 177.539 176.600 -0.221 0.000 1.048 142 K CA 1.799 58.034 56.287 -0.088 0.000 0.926 142 K CB -0.045 32.411 32.500 -0.074 0.000 0.713 142 K HN 0.421 nan 8.250 nan 0.000 0.444 143 H N -1.248 117.832 119.070 0.015 0.000 2.486 143 H HA 0.319 4.875 4.556 -0.000 0.000 0.284 143 H C 0.946 176.280 175.328 0.011 0.000 1.103 143 H CA 0.265 56.322 56.048 0.015 0.000 1.089 143 H CB 0.885 30.660 29.762 0.022 0.000 1.603 143 H HN 0.302 nan 8.280 nan 0.000 0.557 144 A N 0.858 123.724 122.820 0.075 0.000 2.032 144 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 144 A C 1.000 178.603 177.584 0.030 0.000 1.165 144 A CA 2.089 54.156 52.037 0.049 0.000 0.645 144 A CB -0.101 18.913 19.000 0.023 0.000 0.807 144 A HN 0.552 nan 8.150 nan 0.000 0.453 145 D N -2.508 117.904 120.400 0.021 0.000 2.620 145 D HA 0.118 4.758 4.640 -0.000 0.000 0.260 145 D C 0.336 176.644 176.300 0.012 0.000 1.367 145 D CA 0.351 54.353 54.000 0.002 0.000 0.805 145 D CB -1.117 39.669 40.800 -0.024 0.000 1.096 145 D HN 0.161 nan 8.370 nan 0.000 0.488 146 T N 0.961 115.547 114.554 0.053 0.000 2.737 146 T HA 0.362 4.712 4.350 -0.000 0.000 0.296 146 T C -2.497 172.234 174.700 0.051 0.000 0.922 146 T CA -1.551 60.588 62.100 0.065 0.000 1.079 146 T CB 1.122 70.078 68.868 0.147 0.000 0.892 146 T HN -0.102 nan 8.240 nan 0.000 0.514 147 P HA 0.384 nan 4.420 nan 0.000 0.279 147 P C -0.604 176.707 177.300 0.018 0.000 1.239 147 P CA -0.582 62.529 63.100 0.019 0.000 0.789 147 P CB 0.912 32.618 31.700 0.009 0.000 0.933 148 L N 1.177 122.404 121.223 0.006 0.000 2.424 148 L HA 0.627 4.967 4.340 -0.000 0.000 0.258 148 L C -0.388 176.457 176.870 -0.041 0.000 0.995 148 L CA -1.497 53.333 54.840 -0.016 0.000 0.821 148 L CB 1.714 43.761 42.059 -0.021 0.000 1.383 148 L HN 0.094 nan 8.230 nan 0.000 0.410 149 V N 1.476 121.331 119.914 -0.097 0.000 2.843 149 V HA 0.466 4.585 4.120 -0.000 0.000 0.305 149 V C 0.934 176.937 176.094 -0.152 0.000 1.065 149 V CA 0.818 63.016 62.300 -0.170 0.000 1.116 149 V CB 1.213 32.774 31.823 -0.438 0.000 0.968 149 V HN 0.993 nan 8.190 nan 0.000 0.487 150 G N 5.783 114.526 108.800 -0.095 0.000 2.415 150 G HA2 0.516 4.476 3.960 -0.000 0.000 0.269 150 G HA3 0.516 4.476 3.960 -0.000 0.000 0.269 150 G C -0.481 174.391 174.900 -0.048 0.000 1.209 150 G CA -0.648 44.428 45.100 -0.040 0.000 0.835 150 G HN 0.827 nan 8.290 nan 0.000 0.534 151 R N 1.026 121.524 120.500 -0.003 0.000 2.409 151 R HA 0.448 4.788 4.340 -0.000 0.000 0.313 151 R C -0.909 175.449 176.300 0.096 0.000 0.953 151 R CA -0.510 55.618 56.100 0.046 0.000 0.849 151 R CB 2.042 32.364 30.300 0.037 0.000 1.171 151 R HN 0.448 nan 8.270 nan 0.000 0.458 152 T N 2.474 117.118 114.554 0.151 0.000 2.786 152 T HA 0.180 4.530 4.350 -0.000 0.000 0.283 152 T C -0.636 174.295 174.700 0.385 0.000 0.992 152 T CA -0.402 61.846 62.100 0.247 0.000 0.954 152 T CB 0.437 69.432 68.868 0.212 0.000 0.934 152 T HN 0.669 nan 8.240 nan 0.000 0.440 153 W N 3.848 125.159 121.300 0.018 0.000 5.271 153 W HA -0.239 4.421 4.660 -0.000 0.000 0.364 153 W C 0.786 177.317 176.519 0.021 0.000 1.342 153 W CA 0.054 57.408 57.345 0.015 0.000 0.899 153 W CB -2.494 26.974 29.460 0.014 0.000 2.450 153 W HN 0.783 nan 8.180 nan 0.000 1.508 154 L N -2.975 118.371 121.223 0.206 0.000 4.696 154 L HA -0.350 3.990 4.340 -0.000 0.000 0.425 154 L C 1.157 178.125 176.870 0.163 0.000 1.115 154 L CA 1.211 56.139 54.840 0.146 0.000 0.996 154 L CB -1.223 40.902 42.059 0.110 0.000 2.077 154 L HN 0.163 nan 8.230 nan 0.000 0.792 155 Q N -0.584 119.327 119.800 0.185 0.000 2.257 155 Q HA 0.436 4.776 4.340 -0.000 0.000 0.262 155 Q C -0.081 176.059 176.000 0.234 0.000 0.997 155 Q CA -0.736 55.167 55.803 0.166 0.000 0.873 155 Q CB 1.215 30.011 28.738 0.096 0.000 1.312 155 Q HN 0.048 nan 8.270 nan 0.000 0.450 156 H N 0.367 119.456 119.070 0.031 0.000 2.928 156 H HA 0.387 4.943 4.556 -0.000 0.000 0.338 156 H C -0.334 175.015 175.328 0.035 0.000 1.047 156 H CA 0.341 56.408 56.048 0.031 0.000 1.435 156 H CB 0.556 30.329 29.762 0.019 0.000 1.428 156 H HN 0.680 nan 8.280 nan 0.000 0.590 157 A N 1.745 124.616 122.820 0.086 0.000 2.524 157 A HA 0.570 4.890 4.320 -0.000 0.000 0.286 157 A C -0.109 177.515 177.584 0.066 0.000 1.203 157 A CA -0.424 51.659 52.037 0.076 0.000 0.736 157 A CB 0.303 19.347 19.000 0.073 0.000 1.322 157 A HN 0.731 nan 8.150 nan 0.000 0.424 158 T N 0.151 114.763 114.554 0.097 0.000 2.908 158 T HA 0.369 4.719 4.350 -0.000 0.000 0.325 158 T C -2.359 172.393 174.700 0.086 0.000 1.092 158 T CA -0.442 61.742 62.100 0.138 0.000 1.125 158 T CB -0.623 68.357 68.868 0.187 0.000 1.016 158 T HN 0.374 nan 8.240 nan 0.000 0.550 159 P HA 0.280 nan 4.420 nan 0.000 0.267 159 P C -0.600 176.714 177.300 0.024 0.000 1.195 159 P CA -0.289 62.844 63.100 0.055 0.000 0.773 159 P CB 0.404 32.159 31.700 0.091 0.000 0.837 160 V N 0.679 120.601 119.914 0.014 0.000 3.206 160 V HA 0.513 4.633 4.120 -0.000 0.000 0.305 160 V C -0.240 175.866 176.094 0.019 0.000 1.257 160 V CA -0.430 61.883 62.300 0.022 0.000 1.057 160 V CB 2.673 34.512 31.823 0.026 0.000 1.075 160 V HN 0.477 nan 8.190 nan 0.000 0.443 161 T N 0.711 115.284 114.554 0.033 0.000 2.912 161 T HA 0.421 4.771 4.350 -0.000 0.000 0.288 161 T C 0.453 175.180 174.700 0.044 0.000 1.030 161 T CA -0.257 61.865 62.100 0.036 0.000 1.020 161 T CB 1.401 70.290 68.868 0.034 0.000 1.056 161 T HN 0.573 nan 8.240 nan 0.000 0.480 162 L N 4.214 125.465 121.223 0.047 0.000 2.046 162 L HA 0.210 4.550 4.340 -0.000 0.000 0.208 162 L C 2.351 179.248 176.870 0.045 0.000 1.077 162 L CA 2.562 57.418 54.840 0.026 0.000 0.747 162 L CB -1.008 41.043 42.059 -0.014 0.000 0.896 162 L HN 0.828 nan 8.230 nan 0.000 0.432 163 G N -0.892 107.962 108.800 0.089 0.000 2.432 163 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 163 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 163 G C 1.625 176.566 174.900 0.069 0.000 1.135 163 G CA 0.899 46.051 45.100 0.087 0.000 0.767 163 G HN 0.430 nan 8.290 nan 0.000 0.550 164 M N 0.098 119.746 119.600 0.081 0.000 2.065 164 M HA -0.069 4.411 4.480 -0.000 0.000 0.259 164 M C 2.633 178.975 176.300 0.069 0.000 1.069 164 M CA 1.689 57.056 55.300 0.113 0.000 1.110 164 M CB -0.182 32.503 32.600 0.142 0.000 1.328 164 M HN 0.160 nan 8.290 nan 0.000 0.405 165 K N 0.271 120.701 120.400 0.049 0.000 1.991 165 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 165 K C 1.851 178.459 176.600 0.013 0.000 1.049 165 K CA 1.591 57.896 56.287 0.031 0.000 0.932 165 K CB -0.551 31.969 32.500 0.034 0.000 0.717 165 K HN 0.385 nan 8.250 nan 0.000 0.441 166 L N 0.635 121.864 121.223 0.011 0.000 2.127 166 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 166 L C 2.580 179.406 176.870 -0.074 0.000 1.089 166 L CA 0.940 55.757 54.840 -0.039 0.000 0.757 166 L CB -0.660 41.381 42.059 -0.030 0.000 0.899 166 L HN 0.262 nan 8.230 nan 0.000 0.434 167 A N 0.424 123.226 122.820 -0.030 0.000 1.972 167 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 167 A C 2.420 179.961 177.584 -0.071 0.000 1.169 167 A CA 1.553 53.569 52.037 -0.035 0.000 0.635 167 A CB -1.037 17.981 19.000 0.030 0.000 0.810 167 A HN 0.435 nan 8.150 nan 0.000 0.446 168 G N -0.270 108.490 108.800 -0.067 0.000 2.433 168 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 168 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 168 G C 1.506 176.331 174.900 -0.125 0.000 1.186 168 G CA 1.332 46.375 45.100 -0.095 0.000 0.779 168 G HN 0.327 nan 8.290 nan 0.000 0.543 169 V N 0.909 120.742 119.914 -0.135 0.000 2.392 169 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 169 V C 2.694 178.652 176.094 -0.227 0.000 1.059 169 V CA 1.670 63.854 62.300 -0.193 0.000 1.051 169 V CB -0.561 31.076 31.823 -0.309 0.000 0.658 169 V HN 0.353 nan 8.190 nan 0.000 0.455 170 L N 1.523 122.618 121.223 -0.213 0.000 2.017 170 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 170 L C 2.372 179.124 176.870 -0.197 0.000 1.073 170 L CA 2.477 57.187 54.840 -0.217 0.000 0.745 170 L CB -1.403 40.540 42.059 -0.193 0.000 0.894 170 L HN 0.254 nan 8.230 nan 0.000 0.432 171 G N -0.824 107.877 108.800 -0.165 0.000 2.491 171 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 171 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 171 G C 1.617 176.377 174.900 -0.232 0.000 1.180 171 G CA 1.241 46.244 45.100 -0.162 0.000 0.774 171 G HN 0.686 nan 8.290 nan 0.000 0.562 172 A N 0.624 123.282 122.820 -0.270 0.000 1.883 172 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 172 A C 2.490 179.642 177.584 -0.719 0.000 1.186 172 A CA 1.579 53.359 52.037 -0.429 0.000 0.624 172 A CB -0.518 18.297 19.000 -0.308 0.000 0.822 172 A HN 0.372 nan 8.150 nan 0.000 0.444 173 L N -0.795 120.150 121.223 -0.464 0.000 2.079 173 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 173 L C 2.772 179.442 176.870 -0.334 0.000 1.081 173 L CA 1.807 56.434 54.840 -0.355 0.000 0.752 173 L CB -1.178 40.755 42.059 -0.209 0.000 0.896 173 L HN 0.365 nan 8.230 nan 0.000 0.433 174 T N -0.712 113.654 114.554 -0.312 0.000 2.708 174 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 174 T C 2.064 176.551 174.700 -0.356 0.000 1.037 174 T CA 1.245 63.145 62.100 -0.334 0.000 1.146 174 T CB -0.172 68.579 68.868 -0.196 0.000 0.865 174 T HN 0.259 nan 8.240 nan 0.000 0.435 175 R N -0.147 120.175 120.500 -0.297 0.000 2.120 175 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 175 R C 2.261 178.508 176.300 -0.088 0.000 1.123 175 R CA 1.389 57.374 56.100 -0.192 0.000 0.975 175 R CB -0.242 29.947 30.300 -0.184 0.000 0.866 175 R HN 0.661 nan 8.270 nan 0.000 0.446 176 H N -0.901 118.094 119.070 -0.124 0.000 2.403 176 H HA 0.038 4.594 4.556 -0.000 0.000 0.298 176 H C 2.080 177.350 175.328 -0.097 0.000 1.059 176 H CA 0.613 56.606 56.048 -0.091 0.000 1.363 176 H CB 0.210 29.921 29.762 -0.085 0.000 1.410 176 H HN 0.098 nan 8.280 nan 0.000 0.528 177 R N 0.781 121.223 120.500 -0.096 0.000 2.096 177 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 177 R C 2.319 178.589 176.300 -0.049 0.000 1.127 177 R CA 1.208 57.207 56.100 -0.169 0.000 0.968 177 R CB -0.169 29.794 30.300 -0.562 0.000 0.861 177 R HN 0.442 nan 8.270 nan 0.000 0.440 178 Q N 1.030 120.761 119.800 -0.115 0.000 2.050 178 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 178 Q C 2.052 178.135 176.000 0.138 0.000 0.980 178 Q CA 1.499 57.391 55.803 0.149 0.000 0.840 178 Q CB 0.121 28.902 28.738 0.072 0.000 0.898 178 Q HN 0.281 nan 8.270 nan 0.000 0.424 179 R N -0.337 120.218 120.500 0.092 0.000 2.081 179 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 179 R C 2.232 178.593 176.300 0.102 0.000 1.131 179 R CA 0.942 57.097 56.100 0.090 0.000 0.960 179 R CB -0.176 30.175 30.300 0.084 0.000 0.856 179 R HN 0.213 nan 8.270 nan 0.000 0.436 180 L N 1.146 122.438 121.223 0.115 0.000 2.141 180 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 180 L C 2.371 179.323 176.870 0.136 0.000 1.094 180 L CA 1.643 56.567 54.840 0.140 0.000 0.763 180 L CB -0.866 41.282 42.059 0.148 0.000 0.908 180 L HN 0.239 nan 8.230 nan 0.000 0.437 181 Q N -0.512 119.382 119.800 0.156 0.000 2.079 181 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 181 Q C 1.944 177.999 176.000 0.093 0.000 0.974 181 Q CA 1.512 57.401 55.803 0.144 0.000 0.840 181 Q CB 0.138 29.003 28.738 0.211 0.000 0.898 181 Q HN 0.557 nan 8.270 nan 0.000 0.430 182 E N 0.221 120.476 120.200 0.092 0.000 2.150 182 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 182 E C 1.925 178.550 176.600 0.041 0.000 0.985 182 E CA 1.162 57.598 56.400 0.060 0.000 0.814 182 E CB -0.089 29.647 29.700 0.059 0.000 0.752 182 E HN 0.392 nan 8.360 nan 0.000 0.466 183 L N -0.864 120.390 121.223 0.053 0.000 2.446 183 L HA 0.196 4.536 4.340 -0.000 0.000 0.219 183 L C 2.159 179.034 176.870 0.008 0.000 1.116 183 L CA 0.920 55.781 54.840 0.034 0.000 0.844 183 L CB -0.348 41.753 42.059 0.070 0.000 0.970 183 L HN -0.176 nan 8.230 nan 0.000 0.457 184 R N 1.360 121.872 120.500 0.021 0.000 2.113 184 R HA -0.123 4.217 4.340 -0.000 0.000 0.244 184 R C -0.373 175.907 176.300 -0.033 0.000 1.142 184 R CA 2.469 58.565 56.100 -0.007 0.000 0.953 184 R CB -1.492 28.818 30.300 0.015 0.000 0.860 184 R HN 0.456 nan 8.270 nan 0.000 0.438 185 P HA -0.138 nan 4.420 nan 0.000 0.223 185 P C 0.663 177.928 177.300 -0.059 0.000 1.151 185 P CA 1.265 64.345 63.100 -0.034 0.000 0.787 185 P CB -0.025 31.663 31.700 -0.021 0.000 0.788 186 R N -0.701 119.758 120.500 -0.068 0.000 2.100 186 R HA 0.034 4.374 4.340 -0.000 0.000 0.220 186 R C 2.355 178.550 176.300 -0.175 0.000 1.091 186 R CA 0.499 56.534 56.100 -0.108 0.000 0.986 186 R CB -0.562 29.688 30.300 -0.082 0.000 0.888 186 R HN 0.085 nan 8.270 nan 0.000 0.444 187 L N 0.778 121.908 121.223 -0.154 0.000 2.095 187 L HA 0.072 4.412 4.340 -0.000 0.000 0.204 187 L C 0.582 177.338 176.870 -0.190 0.000 1.080 187 L CA 1.376 56.091 54.840 -0.208 0.000 0.759 187 L CB 0.027 41.967 42.059 -0.198 0.000 0.914 187 L HN 0.044 nan 8.230 nan 0.000 0.439 188 L N 2.294 123.441 121.223 -0.127 0.000 2.437 188 L HA 0.199 4.539 4.340 -0.000 0.000 0.243 188 L C -0.459 176.390 176.870 -0.034 0.000 1.346 188 L CA -0.592 54.204 54.840 -0.073 0.000 1.233 188 L CB -0.760 41.266 42.059 -0.056 0.000 1.436 188 L HN 0.077 nan 8.230 nan 0.000 0.416 189 V N -0.909 118.991 119.914 -0.024 0.000 2.919 189 V HA 0.554 4.674 4.120 -0.000 0.000 0.316 189 V C -0.226 175.998 176.094 0.217 0.000 1.077 189 V CA -1.226 61.103 62.300 0.050 0.000 0.977 189 V CB 2.429 34.225 31.823 -0.044 0.000 1.039 189 V HN 0.268 nan 8.190 nan 0.000 0.441 190 L N 1.867 123.229 121.223 0.233 0.000 2.395 190 L HA 0.610 4.950 4.340 -0.000 0.000 0.269 190 L C 0.015 177.101 176.870 0.359 0.000 1.133 190 L CA 0.136 55.130 54.840 0.257 0.000 0.812 190 L CB 1.250 43.418 42.059 0.181 0.000 1.125 190 L HN 0.968 nan 8.230 nan 0.000 0.452 191 Q N 3.706 123.618 119.800 0.186 0.000 2.506 191 Q HA 0.360 4.700 4.340 -0.000 0.000 0.242 191 Q C -1.946 174.074 176.000 0.033 0.000 1.060 191 Q CA 0.005 55.734 55.803 -0.124 0.000 0.826 191 Q CB 0.392 28.831 28.738 -0.498 0.000 1.169 191 Q HN 0.522 nan 8.270 nan 0.000 0.521 192 F N 2.674 122.560 119.950 -0.106 0.000 2.771 192 F HA 0.676 5.203 4.527 0.000 0.000 0.365 192 F C 0.339 176.103 175.800 -0.061 0.000 1.169 192 F CA -0.750 57.244 58.000 -0.011 0.000 1.093 192 F CB 1.375 40.428 39.000 0.089 0.000 1.363 192 F HN 0.517 nan 8.300 nan 0.000 0.496 193 G N 2.040 110.675 108.800 -0.275 0.000 2.799 193 G HA2 0.441 4.401 3.960 -0.000 0.000 0.201 193 G HA3 0.441 4.401 3.960 -0.000 0.000 0.201 193 G C 0.572 175.358 174.900 -0.190 0.000 1.142 193 G CA 0.339 45.282 45.100 -0.262 0.000 0.910 193 G HN 1.346 nan 8.290 nan 0.000 0.710 194 G N -0.258 108.442 108.800 -0.167 0.000 2.855 194 G HA2 0.227 4.187 3.960 -0.000 0.000 0.352 194 G HA3 0.227 4.187 3.960 -0.000 0.000 0.352 194 G C 1.263 176.113 174.900 -0.083 0.000 1.415 194 G CA 0.551 45.560 45.100 -0.151 0.000 0.871 194 G HN 1.387 nan 8.290 nan 0.000 0.543 195 A N -0.459 122.307 122.820 -0.090 0.000 1.942 195 A HA -0.156 4.163 4.320 -0.000 0.000 0.227 195 A C 2.491 180.015 177.584 -0.101 0.000 1.445 195 A CA 4.228 56.212 52.037 -0.088 0.000 0.704 195 A CB -0.867 18.100 19.000 -0.056 0.000 0.841 195 A HN 2.621 nan 8.150 nan 0.000 0.495 196 S N -3.742 111.921 115.700 -0.063 0.000 2.846 196 S HA 0.477 4.947 4.470 -0.000 0.000 0.249 196 S C 1.143 175.750 174.600 0.011 0.000 1.028 196 S CA 0.892 59.069 58.200 -0.038 0.000 1.043 196 S CB 0.201 63.377 63.200 -0.041 0.000 0.990 196 S HN 2.287 nan 8.310 nan 0.000 0.564 197 G N 1.879 110.701 108.800 0.036 0.000 2.159 197 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.256 197 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.256 197 G C 0.937 175.800 174.900 -0.062 0.000 0.977 197 G CA 0.680 45.780 45.100 0.000 0.000 0.652 197 G HN 1.371 nan 8.290 nan 0.000 0.531 198 S N -0.945 114.717 115.700 -0.063 0.000 2.503 198 S HA 0.375 4.845 4.470 -0.000 0.000 0.217 198 S C 1.453 175.998 174.600 -0.092 0.000 0.999 198 S CA 0.957 59.118 58.200 -0.064 0.000 0.914 198 S CB 0.243 63.415 63.200 -0.047 0.000 0.782 198 S HN 1.304 nan 8.310 nan 0.000 0.520 199 L N 0.054 121.194 121.223 -0.138 0.000 4.179 199 L HA -0.272 4.068 4.340 -0.000 0.000 0.418 199 L C 1.634 178.437 176.870 -0.112 0.000 1.168 199 L CA 0.281 55.006 54.840 -0.191 0.000 0.972 199 L CB -2.036 39.883 42.059 -0.232 0.000 2.005 199 L HN 0.464 nan 8.230 nan 0.000 0.935 200 A N -0.819 121.954 122.820 -0.078 0.000 1.978 200 A HA 0.017 4.337 4.320 -0.000 0.000 0.220 200 A C 2.352 179.912 177.584 -0.041 0.000 1.170 200 A CA 2.169 54.176 52.037 -0.049 0.000 0.636 200 A CB -0.438 18.538 19.000 -0.040 0.000 0.810 200 A HN 0.951 nan 8.150 nan 0.000 0.448 201 A N -0.653 122.137 122.820 -0.050 0.000 2.076 201 A HA 0.010 4.330 4.320 -0.000 0.000 0.220 201 A C 1.883 179.456 177.584 -0.019 0.000 1.160 201 A CA 1.378 53.395 52.037 -0.033 0.000 0.653 201 A CB -0.449 18.529 19.000 -0.037 0.000 0.801 201 A HN 0.497 nan 8.150 nan 0.000 0.455 202 L N -1.660 119.550 121.223 -0.023 0.000 2.607 202 L HA 0.239 4.579 4.340 -0.000 0.000 0.228 202 L C 1.750 178.624 176.870 0.008 0.000 1.123 202 L CA 0.172 55.015 54.840 0.006 0.000 0.890 202 L CB -0.638 41.435 42.059 0.024 0.000 1.103 202 L HN 0.591 nan 8.230 nan 0.000 0.468 203 G N 1.285 110.083 108.800 -0.004 0.000 2.611 203 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.301 203 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.301 203 G C 0.930 175.833 174.900 0.004 0.000 1.233 203 G CA 0.685 45.785 45.100 -0.001 0.000 0.993 203 G HN 0.424 nan 8.290 nan 0.000 0.553 204 S N -0.031 115.675 115.700 0.009 0.000 2.561 204 S HA 0.148 4.618 4.470 -0.000 0.000 0.225 204 S C 1.566 176.178 174.600 0.019 0.000 0.977 204 S CA 1.530 59.737 58.200 0.012 0.000 0.926 204 S CB 0.219 63.425 63.200 0.010 0.000 0.769 204 S HN 0.551 nan 8.310 nan 0.000 0.533 205 K N 1.283 121.698 120.400 0.024 0.000 2.417 205 K HA 0.415 4.735 4.320 -0.000 0.000 0.196 205 K C 1.852 178.485 176.600 0.055 0.000 1.023 205 K CA 0.569 56.876 56.287 0.034 0.000 1.122 205 K CB -0.338 32.182 32.500 0.033 0.000 0.850 205 K HN 0.452 nan 8.250 nan 0.000 0.521 206 A N 1.758 124.608 122.820 0.050 0.000 1.841 206 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 206 A C 2.147 179.796 177.584 0.107 0.000 1.199 206 A CA 1.456 53.535 52.037 0.070 0.000 0.621 206 A CB -0.296 18.715 19.000 0.018 0.000 0.835 206 A HN 0.111 nan 8.150 nan 0.000 0.445 207 M N -0.747 118.895 119.600 0.070 0.000 2.117 207 M HA -0.073 4.406 4.480 -0.000 0.000 0.262 207 M C -0.296 176.046 176.300 0.069 0.000 1.065 207 M CA 1.580 56.924 55.300 0.073 0.000 1.114 207 M CB -2.393 30.235 32.600 0.046 0.000 1.361 207 M HN 0.165 nan 8.290 nan 0.000 0.408 208 P HA -0.086 nan 4.420 nan 0.000 0.215 208 P C 1.960 179.278 177.300 0.031 0.000 1.157 208 P CA 1.097 64.218 63.100 0.033 0.000 0.868 208 P CB -0.050 31.664 31.700 0.025 0.000 0.788 209 V N -0.002 119.946 119.914 0.056 0.000 2.407 209 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 209 V C 2.426 178.518 176.094 -0.004 0.000 1.055 209 V CA 2.150 64.470 62.300 0.033 0.000 1.049 209 V CB -1.720 30.168 31.823 0.108 0.000 0.662 209 V HN 0.095 nan 8.190 nan 0.000 0.455 210 A N 0.015 122.911 122.820 0.126 0.000 1.865 210 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 210 A C 2.186 179.784 177.584 0.023 0.000 1.191 210 A CA 2.016 54.135 52.037 0.136 0.000 0.623 210 A CB -0.498 18.666 19.000 0.275 0.000 0.826 210 A HN 0.631 nan 8.150 nan 0.000 0.444 211 E N -0.235 119.984 120.200 0.032 0.000 2.077 211 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 211 E C 2.346 178.934 176.600 -0.020 0.000 0.989 211 E CA 0.924 57.331 56.400 0.012 0.000 0.800 211 E CB -0.348 29.363 29.700 0.017 0.000 0.746 211 E HN 0.606 nan 8.360 nan 0.000 0.452 212 A N 1.625 124.423 122.820 -0.035 0.000 1.908 212 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 212 A C 2.209 179.738 177.584 -0.092 0.000 1.181 212 A CA 1.169 53.172 52.037 -0.056 0.000 0.627 212 A CB -0.548 18.415 19.000 -0.061 0.000 0.818 212 A HN 0.212 nan 8.150 nan 0.000 0.445 213 L N -0.306 120.828 121.223 -0.148 0.000 2.046 213 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 213 L C 2.667 179.465 176.870 -0.120 0.000 1.077 213 L CA 2.151 56.863 54.840 -0.212 0.000 0.747 213 L CB -0.936 40.868 42.059 -0.425 0.000 0.896 213 L HN 0.347 nan 8.230 nan 0.000 0.432 214 A N -0.806 121.973 122.820 -0.068 0.000 1.877 214 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 214 A C 2.342 179.916 177.584 -0.016 0.000 1.186 214 A CA 1.795 53.825 52.037 -0.013 0.000 0.620 214 A CB -0.787 18.222 19.000 0.016 0.000 0.822 214 A HN 0.609 nan 8.150 nan 0.000 0.443 215 E N -0.805 119.381 120.200 -0.024 0.000 2.077 215 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 215 E C 2.129 178.713 176.600 -0.027 0.000 0.989 215 E CA 1.201 57.588 56.400 -0.021 0.000 0.800 215 E CB -0.134 29.553 29.700 -0.021 0.000 0.746 215 E HN 0.559 nan 8.360 nan 0.000 0.452 216 Q N 0.089 119.862 119.800 -0.045 0.000 2.096 216 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 216 Q C 2.207 178.186 176.000 -0.035 0.000 0.982 216 Q CA 1.159 56.931 55.803 -0.050 0.000 0.850 216 Q CB -0.104 28.583 28.738 -0.084 0.000 0.901 216 Q HN 0.408 nan 8.270 nan 0.000 0.422 217 L N 0.199 121.406 121.223 -0.027 0.000 2.592 217 L HA 0.086 4.426 4.340 -0.000 0.000 0.227 217 L C 0.213 177.084 176.870 0.002 0.000 1.127 217 L CA -0.020 54.818 54.840 -0.004 0.000 0.884 217 L CB 0.070 42.142 42.059 0.023 0.000 1.065 217 L HN 0.122 nan 8.230 nan 0.000 0.457 218 K N 0.924 121.322 120.400 -0.004 0.000 3.096 218 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 218 K C -0.615 175.987 176.600 0.004 0.000 1.043 218 K CA 0.504 56.790 56.287 -0.002 0.000 0.758 218 K CB -1.515 30.983 32.500 -0.004 0.000 1.260 218 K HN 0.295 nan 8.250 nan 0.000 0.481 219 L N -0.066 121.164 121.223 0.012 0.000 2.341 219 L HA 0.372 4.712 4.340 -0.000 0.000 0.267 219 L C 0.687 177.571 176.870 0.023 0.000 1.009 219 L CA -1.006 53.847 54.840 0.022 0.000 0.819 219 L CB 2.143 44.230 42.059 0.047 0.000 1.323 219 L HN -0.050 nan 8.230 nan 0.000 0.425 220 T N 2.082 116.648 114.554 0.020 0.000 2.899 220 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 220 T C -0.340 174.387 174.700 0.045 0.000 1.033 220 T CA -0.268 61.843 62.100 0.019 0.000 1.084 220 T CB 1.117 69.985 68.868 0.001 0.000 0.979 220 T HN 0.208 nan 8.240 nan 0.000 0.532 221 L N 5.925 127.176 121.223 0.047 0.000 2.276 221 L HA 0.441 4.781 4.340 -0.000 0.000 0.286 221 L C -1.944 174.965 176.870 0.065 0.000 1.061 221 L CA -1.766 53.119 54.840 0.075 0.000 0.807 221 L CB 0.462 42.561 42.059 0.066 0.000 1.177 221 L HN 0.409 nan 8.230 nan 0.000 0.429 222 P HA 0.125 nan 4.420 nan 0.000 0.276 222 P C -0.035 177.301 177.300 0.060 0.000 1.261 222 P CA -0.343 62.794 63.100 0.061 0.000 0.800 222 P CB 0.588 32.352 31.700 0.106 0.000 1.066 223 E N 0.878 121.099 120.200 0.035 0.000 2.204 223 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 223 E C 0.276 176.902 176.600 0.043 0.000 0.990 223 E CA 1.413 57.831 56.400 0.031 0.000 0.821 223 E CB -0.014 29.696 29.700 0.016 0.000 0.750 223 E HN 0.734 nan 8.360 nan 0.000 0.477 224 Q N -1.065 118.775 119.800 0.066 0.000 2.633 224 Q HA 0.550 4.890 4.340 -0.000 0.000 0.289 224 Q C -3.091 172.971 176.000 0.103 0.000 0.940 224 Q CA -2.159 53.678 55.803 0.058 0.000 0.785 224 Q CB 1.214 29.973 28.738 0.035 0.000 1.467 224 Q HN -0.241 nan 8.270 nan 0.000 0.401 225 P HA 0.017 nan 4.420 nan 0.000 0.270 225 P C -0.669 176.599 177.300 -0.054 0.000 1.223 225 P CA -0.068 62.955 63.100 -0.128 0.000 0.785 225 P CB 0.207 31.683 31.700 -0.375 0.000 0.923 226 W N 1.334 122.467 121.300 -0.279 0.000 1.433 226 W HA 0.252 4.912 4.660 -0.000 0.000 0.307 226 W C 0.160 176.592 176.519 -0.144 0.000 0.846 226 W CA -0.217 57.027 57.345 -0.168 0.000 2.535 226 W CB -1.602 27.804 29.460 -0.090 0.000 1.570 226 W HN 0.400 nan 8.180 nan 0.000 0.544 227 H N 1.754 120.645 119.070 -0.299 0.000 2.390 227 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 227 H C 1.755 176.924 175.328 -0.264 0.000 1.106 227 H CA 2.650 58.464 56.048 -0.392 0.000 1.297 227 H CB -0.446 29.097 29.762 -0.365 0.000 1.375 227 H HN 0.269 nan 8.280 nan 0.000 0.509 228 T N -2.127 112.436 114.554 0.016 0.000 3.145 228 T HA 0.144 4.494 4.350 -0.000 0.000 0.281 228 T C 0.377 175.125 174.700 0.079 0.000 1.003 228 T CA -0.432 61.681 62.100 0.022 0.000 0.901 228 T CB 0.590 69.463 68.868 0.010 0.000 1.112 228 T HN -0.058 nan 8.240 nan 0.000 0.535 229 Q N 1.848 121.735 119.800 0.145 0.000 2.462 229 Q HA 0.395 4.735 4.340 -0.000 0.000 0.247 229 Q C 0.179 176.316 176.000 0.228 0.000 1.044 229 Q CA -0.371 55.524 55.803 0.153 0.000 0.803 229 Q CB 1.346 30.173 28.738 0.148 0.000 1.190 229 Q HN 0.278 nan 8.270 nan 0.000 0.507 230 R N 1.296 121.897 120.500 0.168 0.000 2.359 230 R HA 0.000 4.340 4.340 -0.000 0.000 0.231 230 R C 0.893 177.229 176.300 0.061 0.000 0.913 230 R CA 0.063 56.272 56.100 0.182 0.000 1.075 230 R CB 0.205 30.605 30.300 0.166 0.000 1.087 230 R HN 0.584 nan 8.270 nan 0.000 0.515 231 D N 1.139 121.546 120.400 0.011 0.000 2.158 231 D HA -0.241 4.399 4.640 -0.000 0.000 0.197 231 D C 1.413 177.666 176.300 -0.079 0.000 0.995 231 D CA 0.970 54.945 54.000 -0.041 0.000 0.846 231 D CB -0.106 40.678 40.800 -0.026 0.000 0.941 231 D HN 0.187 nan 8.370 nan 0.000 0.456 232 R N 0.161 120.575 120.500 -0.143 0.000 2.091 232 R HA -0.015 4.325 4.340 -0.000 0.000 0.238 232 R C 2.795 179.045 176.300 -0.084 0.000 1.136 232 R CA 1.076 57.059 56.100 -0.195 0.000 0.959 232 R CB -0.277 29.746 30.300 -0.462 0.000 0.856 232 R HN 0.280 nan 8.270 nan 0.000 0.437 233 L N -0.040 121.167 121.223 -0.026 0.000 2.072 233 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 233 L C 2.324 179.223 176.870 0.049 0.000 1.079 233 L CA 0.830 55.720 54.840 0.082 0.000 0.752 233 L CB -0.390 41.765 42.059 0.161 0.000 0.906 233 L HN 0.044 nan 8.230 nan 0.000 0.436 234 V N 0.124 119.998 119.914 -0.067 0.000 2.515 234 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 234 V C 2.471 178.438 176.094 -0.211 0.000 1.058 234 V CA 1.858 64.011 62.300 -0.245 0.000 1.064 234 V CB -0.472 31.068 31.823 -0.471 0.000 0.675 234 V HN 0.523 nan 8.190 nan 0.000 0.461 235 E N 0.184 120.329 120.200 -0.091 0.000 2.051 235 E HA -0.283 4.067 4.350 -0.000 0.000 0.192 235 E C 2.146 178.767 176.600 0.035 0.000 0.991 235 E CA 1.689 58.076 56.400 -0.021 0.000 0.799 235 E CB -0.294 29.410 29.700 0.006 0.000 0.748 235 E HN 0.497 nan 8.360 nan 0.000 0.449 236 F N 1.415 121.323 119.950 -0.070 0.000 2.126 236 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 236 F C 2.070 177.841 175.800 -0.048 0.000 1.096 236 F CA 1.775 59.749 58.000 -0.044 0.000 1.255 236 F CB -0.716 38.268 39.000 -0.026 0.000 0.997 236 F HN 0.128 nan 8.300 nan 0.000 0.479 237 A N -1.071 121.644 122.820 -0.175 0.000 1.930 237 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 237 A C 2.383 179.834 177.584 -0.222 0.000 1.175 237 A CA 1.754 53.630 52.037 -0.269 0.000 0.627 237 A CB -1.372 17.544 19.000 -0.141 0.000 0.815 237 A HN 0.465 nan 8.150 nan 0.000 0.443 238 S N -0.575 115.041 115.700 -0.140 0.000 2.356 238 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 238 S C 1.908 176.442 174.600 -0.109 0.000 1.032 238 S CA 1.680 59.852 58.200 -0.047 0.000 1.005 238 S CB -0.448 62.781 63.200 0.048 0.000 0.867 238 S HN 0.302 nan 8.310 nan 0.000 0.449 239 V N 1.750 121.573 119.914 -0.152 0.000 2.358 239 V HA -0.100 4.020 4.120 -0.000 0.000 0.246 239 V C 2.395 178.307 176.094 -0.303 0.000 1.047 239 V CA 1.374 63.556 62.300 -0.196 0.000 1.035 239 V CB -0.687 31.062 31.823 -0.123 0.000 0.658 239 V HN 0.375 nan 8.190 nan 0.000 0.452 240 L N 1.142 122.141 121.223 -0.373 0.000 2.127 240 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 240 L C 2.475 179.190 176.870 -0.259 0.000 1.089 240 L CA 2.170 56.796 54.840 -0.358 0.000 0.757 240 L CB -1.437 40.343 42.059 -0.465 0.000 0.899 240 L HN 0.359 nan 8.230 nan 0.000 0.434 241 G N -1.268 107.401 108.800 -0.218 0.000 2.402 241 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 241 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 241 G C 1.566 176.367 174.900 -0.166 0.000 1.162 241 G CA 0.417 45.427 45.100 -0.150 0.000 0.777 241 G HN 0.231 nan 8.290 nan 0.000 0.539 242 L N 0.663 121.750 121.223 -0.226 0.000 2.042 242 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 242 L C 3.136 179.775 176.870 -0.385 0.000 1.076 242 L CA 0.943 55.610 54.840 -0.289 0.000 0.749 242 L CB -0.786 41.036 42.059 -0.393 0.000 0.893 242 L HN 0.113 nan 8.230 nan 0.000 0.432 243 V N -0.551 119.075 119.914 -0.480 0.000 2.295 243 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 243 V C 2.692 178.729 176.094 -0.095 0.000 1.049 243 V CA 1.584 63.720 62.300 -0.273 0.000 1.024 243 V CB -1.170 30.531 31.823 -0.203 0.000 0.648 243 V HN 0.514 nan 8.190 nan 0.000 0.447 244 A N 0.513 123.265 122.820 -0.113 0.000 1.902 244 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 244 A C 2.428 179.985 177.584 -0.045 0.000 1.181 244 A CA 2.012 54.006 52.037 -0.072 0.000 0.623 244 A CB -1.271 17.673 19.000 -0.093 0.000 0.818 244 A HN 0.532 nan 8.150 nan 0.000 0.443 245 G N -0.753 108.014 108.800 -0.054 0.000 2.446 245 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 245 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 245 G C 1.851 176.758 174.900 0.011 0.000 1.168 245 G CA 1.360 46.443 45.100 -0.028 0.000 0.771 245 G HN 0.489 nan 8.290 nan 0.000 0.551 246 S N 0.506 116.236 115.700 0.051 0.000 2.348 246 S HA -0.004 4.466 4.470 -0.000 0.000 0.221 246 S C 2.274 176.922 174.600 0.080 0.000 1.033 246 S CA 0.865 59.116 58.200 0.084 0.000 1.010 246 S CB -0.316 62.997 63.200 0.189 0.000 0.891 246 S HN 0.294 nan 8.310 nan 0.000 0.442 247 L N 1.089 122.361 121.223 0.081 0.000 2.265 247 L HA -0.062 4.277 4.340 -0.000 0.000 0.215 247 L C 2.586 179.532 176.870 0.128 0.000 1.117 247 L CA 0.902 55.821 54.840 0.131 0.000 0.782 247 L CB -1.004 41.113 42.059 0.097 0.000 0.914 247 L HN 0.416 nan 8.230 nan 0.000 0.441 248 G N -0.213 108.620 108.800 0.056 0.000 2.402 248 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 248 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 248 G C 1.734 176.650 174.900 0.027 0.000 1.162 248 G CA 0.231 45.342 45.100 0.017 0.000 0.777 248 G HN 0.131 nan 8.290 nan 0.000 0.539 249 K N 0.017 120.446 120.400 0.049 0.000 2.057 249 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 249 K C 2.153 178.812 176.600 0.098 0.000 1.049 249 K CA 0.934 57.249 56.287 0.047 0.000 0.931 249 K CB -0.461 32.064 32.500 0.042 0.000 0.714 249 K HN 0.257 nan 8.250 nan 0.000 0.440 250 F N 1.321 121.250 119.950 -0.034 0.000 2.102 250 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 250 F C 2.099 177.880 175.800 -0.032 0.000 1.105 250 F CA 1.932 59.912 58.000 -0.034 0.000 1.239 250 F CB -0.975 38.007 39.000 -0.030 0.000 0.991 250 F HN 0.098 nan 8.300 nan 0.000 0.474 251 G N -0.335 108.399 108.800 -0.109 0.000 2.422 251 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.218 251 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.218 251 G C 1.746 176.541 174.900 -0.175 0.000 1.146 251 G CA 0.903 45.869 45.100 -0.223 0.000 0.769 251 G HN 0.360 nan 8.290 nan 0.000 0.547 252 R N 0.817 121.257 120.500 -0.099 0.000 2.066 252 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 252 R C 2.071 178.312 176.300 -0.098 0.000 1.131 252 R CA 1.786 57.838 56.100 -0.080 0.000 0.955 252 R CB -0.594 29.677 30.300 -0.049 0.000 0.851 252 R HN 0.185 nan 8.270 nan 0.000 0.432 253 D N 0.335 120.679 120.400 -0.094 0.000 2.123 253 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 253 D C 1.834 178.041 176.300 -0.156 0.000 0.992 253 D CA 1.284 55.229 54.000 -0.091 0.000 0.833 253 D CB -0.102 40.680 40.800 -0.029 0.000 0.954 253 D HN 0.227 nan 8.370 nan 0.000 0.455 254 I N 1.173 121.583 120.570 -0.265 0.000 2.142 254 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 254 I C 2.559 178.556 176.117 -0.201 0.000 1.078 254 I CA 1.188 62.313 61.300 -0.292 0.000 1.343 254 I CB -1.378 36.365 38.000 -0.429 0.000 1.046 254 I HN 0.032 nan 8.210 nan 0.000 0.405 255 S N 1.169 116.772 115.700 -0.161 0.000 2.400 255 S HA -0.137 4.333 4.470 -0.000 0.000 0.232 255 S C 2.056 176.602 174.600 -0.090 0.000 1.025 255 S CA 1.002 59.140 58.200 -0.103 0.000 0.993 255 S CB -0.844 62.312 63.200 -0.074 0.000 0.808 255 S HN 0.445 nan 8.310 nan 0.000 0.478 256 L N 0.302 121.470 121.223 -0.092 0.000 2.179 256 L HA 0.164 4.503 4.340 -0.000 0.000 0.208 256 L C 2.429 179.244 176.870 -0.093 0.000 1.096 256 L CA 0.750 55.548 54.840 -0.069 0.000 0.779 256 L CB -0.388 41.640 42.059 -0.051 0.000 0.922 256 L HN 0.309 nan 8.230 nan 0.000 0.443 257 L N -1.145 119.993 121.223 -0.141 0.000 2.313 257 L HA -0.097 4.243 4.340 -0.000 0.000 0.214 257 L C 2.299 178.981 176.870 -0.314 0.000 1.119 257 L CA 0.790 55.511 54.840 -0.198 0.000 0.809 257 L CB -0.201 41.729 42.059 -0.215 0.000 0.933 257 L HN 0.326 nan 8.230 nan 0.000 0.449 258 M N -0.935 118.499 119.600 -0.276 0.000 2.595 258 M HA -0.016 4.464 4.480 -0.000 0.000 0.248 258 M C 0.584 176.828 176.300 -0.092 0.000 1.119 258 M CA 0.354 55.481 55.300 -0.289 0.000 1.079 258 M CB 0.144 32.672 32.600 -0.120 0.000 1.472 258 M HN 0.239 nan 8.290 nan 0.000 0.501 259 Q N 0.131 119.889 119.800 -0.071 0.000 2.333 259 Q HA -0.078 4.262 4.340 -0.000 0.000 0.299 259 Q C 1.073 177.094 176.000 0.035 0.000 1.067 259 Q CA 0.351 56.151 55.803 -0.006 0.000 0.943 259 Q CB 0.810 29.542 28.738 -0.009 0.000 1.233 259 Q HN 0.249 nan 8.270 nan 0.000 0.401 260 T N 1.841 116.436 114.554 0.069 0.000 2.699 260 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 260 T C 1.076 175.822 174.700 0.076 0.000 1.036 260 T CA 1.700 63.858 62.100 0.097 0.000 1.147 260 T CB -0.024 68.900 68.868 0.093 0.000 0.862 260 T HN 0.651 nan 8.240 nan 0.000 0.446 261 E N 1.016 121.246 120.200 0.051 0.000 2.511 261 E HA 0.232 4.582 4.350 -0.000 0.000 0.196 261 E C 1.525 178.152 176.600 0.044 0.000 1.066 261 E CA 0.532 56.959 56.400 0.044 0.000 0.871 261 E CB -0.105 29.615 29.700 0.033 0.000 0.863 261 E HN 0.579 nan 8.360 nan 0.000 0.520 262 A N 1.116 123.955 122.820 0.031 0.000 1.989 262 A HA 0.460 4.780 4.320 -0.000 0.000 0.201 262 A C 1.771 179.350 177.584 -0.008 0.000 1.720 262 A CA 0.529 52.571 52.037 0.009 0.000 0.956 262 A CB -0.518 18.465 19.000 -0.029 0.000 1.094 262 A HN 0.280 nan 8.150 nan 0.000 0.561 263 G N 0.568 109.337 108.800 -0.051 0.000 2.421 263 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.300 263 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.300 263 G C 0.334 175.147 174.900 -0.146 0.000 0.974 263 G CA 1.045 46.117 45.100 -0.048 0.000 1.062 263 G HN 0.679 nan 8.290 nan 0.000 0.514 264 E N -1.770 118.240 120.200 -0.316 0.000 2.244 264 E HA 0.249 4.599 4.350 -0.000 0.000 0.196 264 E C 0.771 177.202 176.600 -0.283 0.000 0.939 264 E CA 0.596 56.882 56.400 -0.190 0.000 0.884 264 E CB 0.731 30.360 29.700 -0.118 0.000 0.850 264 E HN 0.371 nan 8.360 nan 0.000 0.481 265 V N 0.986 120.574 119.914 -0.544 0.000 2.876 265 V HA 0.417 4.537 4.120 -0.000 0.000 0.312 265 V C -1.184 174.473 176.094 -0.728 0.000 1.085 265 V CA -0.789 61.262 62.300 -0.416 0.000 0.945 265 V CB 1.670 33.353 31.823 -0.234 0.000 1.017 265 V HN 0.015 nan 8.190 nan 0.000 0.428 266 F N 0.222 120.157 119.950 -0.024 0.000 2.599 266 F HA 0.509 5.035 4.527 -0.000 0.000 0.311 266 F C 0.346 176.133 175.800 -0.022 0.000 1.076 266 F CA -0.786 57.202 58.000 -0.021 0.000 0.937 266 F CB 1.668 40.665 39.000 -0.005 0.000 1.282 266 F HN 0.397 nan 8.300 nan 0.000 0.460 267 E N 2.152 122.455 120.200 0.171 0.000 2.390 267 E HA 0.219 4.569 4.350 -0.000 0.000 0.261 267 E C -2.304 174.363 176.600 0.112 0.000 1.076 267 E CA -1.598 54.858 56.400 0.095 0.000 0.905 267 E CB 0.462 30.200 29.700 0.063 0.000 0.984 267 E HN 0.187 nan 8.360 nan 0.000 0.427 268 P HA -0.075 nan 4.420 nan 0.000 0.268 268 P C -0.732 176.597 177.300 0.049 0.000 1.208 268 P CA 0.166 63.306 63.100 0.067 0.000 0.777 268 P CB 0.647 32.383 31.700 0.061 0.000 0.875 279 M N 1.190 120.794 119.600 0.007 0.000 3.600 279 M HA 0.702 5.181 4.480 -0.000 0.000 0.397 279 M C -2.723 173.576 176.300 -0.001 0.000 1.860 279 M CA -0.518 54.772 55.300 -0.016 0.000 0.514 279 M CB -0.144 32.446 32.600 -0.017 0.000 1.473 279 M HN 0.829 nan 8.290 nan 0.000 0.485 280 P HA 0.321 nan 4.420 nan 0.000 0.164 280 P C 1.183 178.528 177.300 0.075 0.000 0.925 280 P CA 1.221 64.373 63.100 0.087 0.000 0.834 280 P CB -0.118 31.698 31.700 0.193 0.000 0.777 281 H N 1.350 120.411 119.070 -0.016 0.000 2.568 281 H HA 0.026 4.582 4.556 -0.000 0.000 0.281 281 H C 0.164 175.496 175.328 0.006 0.000 1.028 281 H CA 0.439 56.484 56.048 -0.005 0.000 1.199 281 H CB -0.967 28.801 29.762 0.010 0.000 1.352 281 H HN 0.284 nan 8.280 nan 0.000 0.605 282 K N 0.433 120.641 120.400 -0.320 0.000 2.262 282 K HA 0.543 4.863 4.320 -0.000 0.000 0.288 282 K C -0.087 176.453 176.600 -0.099 0.000 1.090 282 K CA -0.304 55.836 56.287 -0.246 0.000 0.918 282 K CB 0.450 32.793 32.500 -0.263 0.000 1.139 282 K HN 0.306 nan 8.250 nan 0.000 0.462 283 R N 3.488 123.965 120.500 -0.039 0.000 2.797 283 R HA 0.213 4.553 4.340 -0.000 0.000 0.274 283 R C -1.469 174.858 176.300 0.045 0.000 1.652 283 R CA -0.767 55.337 56.100 0.007 0.000 1.175 283 R CB -0.238 30.075 30.300 0.022 0.000 1.283 283 R HN 0.880 nan 8.270 nan 0.000 0.513 284 N N 3.965 122.679 118.700 0.023 0.000 2.499 284 N HA 0.359 5.099 4.740 -0.000 0.000 0.281 284 N C -2.173 173.365 175.510 0.045 0.000 1.098 284 N CA -1.660 51.409 53.050 0.032 0.000 0.979 284 N CB 2.109 40.606 38.487 0.017 0.000 1.121 284 N HN 0.400 nan 8.380 nan 0.000 0.466 285 P HA 0.025 nan 4.420 nan 0.000 0.238 285 P C 0.981 178.319 177.300 0.064 0.000 1.794 285 P CA -0.167 62.958 63.100 0.041 0.000 1.088 285 P CB 0.240 31.945 31.700 0.008 0.000 1.923 286 V N 1.385 121.351 119.914 0.086 0.000 2.626 286 V HA -0.015 4.105 4.120 -0.000 0.000 0.252 286 V C 2.063 178.296 176.094 0.231 0.000 1.067 286 V CA 2.021 64.415 62.300 0.158 0.000 1.081 286 V CB -1.539 30.343 31.823 0.097 0.000 0.686 286 V HN 0.307 nan 8.190 nan 0.000 0.468 287 G N 0.043 108.928 108.800 0.143 0.000 2.394 287 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.214 287 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.214 287 G C 1.743 176.676 174.900 0.056 0.000 1.176 287 G CA 0.924 46.097 45.100 0.122 0.000 0.786 287 G HN 0.854 nan 8.290 nan 0.000 0.533 288 A N 1.218 124.041 122.820 0.005 0.000 1.978 288 A HA 0.225 4.545 4.320 -0.000 0.000 0.220 288 A C 2.766 180.340 177.584 -0.017 0.000 1.170 288 A CA 2.171 54.178 52.037 -0.050 0.000 0.636 288 A CB -0.685 18.259 19.000 -0.092 0.000 0.810 288 A HN 0.768 nan 8.150 nan 0.000 0.448 289 A N -0.489 122.353 122.820 0.037 0.000 1.908 289 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 289 A C 2.235 179.818 177.584 -0.001 0.000 1.181 289 A CA 1.916 53.984 52.037 0.051 0.000 0.627 289 A CB -0.942 18.151 19.000 0.155 0.000 0.818 289 A HN 0.409 nan 8.150 nan 0.000 0.445 290 V N 0.356 120.256 119.914 -0.024 0.000 2.295 290 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 290 V C 2.577 178.616 176.094 -0.092 0.000 1.049 290 V CA 1.929 64.165 62.300 -0.107 0.000 1.024 290 V CB -0.788 30.957 31.823 -0.130 0.000 0.648 290 V HN 0.575 nan 8.190 nan 0.000 0.447 291 L N -0.620 120.576 121.223 -0.045 0.000 2.046 291 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 291 L C 2.406 179.242 176.870 -0.057 0.000 1.077 291 L CA 1.789 56.609 54.840 -0.032 0.000 0.747 291 L CB -0.654 41.408 42.059 0.005 0.000 0.896 291 L HN 0.277 nan 8.230 nan 0.000 0.432 292 I N 0.110 120.643 120.570 -0.062 0.000 2.315 292 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 292 I C 2.684 178.741 176.117 -0.099 0.000 1.117 292 I CA 1.258 62.517 61.300 -0.068 0.000 1.404 292 I CB -0.838 37.128 38.000 -0.057 0.000 1.071 292 I HN 0.260 nan 8.210 nan 0.000 0.419 293 G N 0.763 109.483 108.800 -0.133 0.000 2.446 293 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.217 293 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.217 293 G C 1.885 176.646 174.900 -0.230 0.000 1.168 293 G CA 0.901 45.874 45.100 -0.211 0.000 0.771 293 G HN 0.483 nan 8.290 nan 0.000 0.551 294 A N 1.247 123.939 122.820 -0.215 0.000 1.877 294 A HA 0.235 4.555 4.320 -0.000 0.000 0.216 294 A C 2.797 180.301 177.584 -0.134 0.000 1.186 294 A CA 2.352 54.278 52.037 -0.184 0.000 0.620 294 A CB -0.872 18.043 19.000 -0.141 0.000 0.822 294 A HN 0.927 nan 8.150 nan 0.000 0.443 295 A N -1.365 121.393 122.820 -0.104 0.000 2.125 295 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 295 A C 2.107 179.639 177.584 -0.087 0.000 1.156 295 A CA 2.111 54.099 52.037 -0.082 0.000 0.671 295 A CB -0.779 18.186 19.000 -0.059 0.000 0.794 295 A HN 0.450 nan 8.150 nan 0.000 0.459 296 T N -1.357 113.135 114.554 -0.104 0.000 3.039 296 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 296 T C 2.034 176.670 174.700 -0.106 0.000 1.052 296 T CA 0.489 62.530 62.100 -0.099 0.000 1.125 296 T CB 0.002 68.808 68.868 -0.103 0.000 0.908 296 T HN 0.418 nan 8.240 nan 0.000 0.473 297 R N 0.696 121.116 120.500 -0.133 0.000 2.112 297 R HA 0.142 4.482 4.340 -0.000 0.000 0.216 297 R C 2.412 178.648 176.300 -0.107 0.000 1.080 297 R CA 0.612 56.633 56.100 -0.132 0.000 0.996 297 R CB -0.733 29.457 30.300 -0.183 0.000 0.902 297 R HN 0.244 nan 8.270 nan 0.000 0.449 298 V N 1.999 121.848 119.914 -0.108 0.000 2.332 298 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 298 V C -0.881 175.174 176.094 -0.064 0.000 1.055 298 V CA 1.835 64.081 62.300 -0.092 0.000 1.038 298 V CB -1.265 30.497 31.823 -0.101 0.000 0.651 298 V HN 0.178 nan 8.190 nan 0.000 0.450 299 P HA -0.173 nan 4.420 nan 0.000 0.216 299 P C 1.739 179.025 177.300 -0.023 0.000 1.154 299 P CA 2.048 65.125 63.100 -0.038 0.000 0.865 299 P CB -0.335 31.336 31.700 -0.049 0.000 0.789 300 G N -0.503 108.276 108.800 -0.036 0.000 2.418 300 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.217 300 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.217 300 G C 1.498 176.389 174.900 -0.015 0.000 1.158 300 G CA 0.524 45.608 45.100 -0.026 0.000 0.771 300 G HN 0.220 nan 8.290 nan 0.000 0.545 301 L N -0.496 120.709 121.223 -0.030 0.000 2.046 301 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 301 L C 2.798 179.664 176.870 -0.006 0.000 1.077 301 L CA 0.315 55.137 54.840 -0.030 0.000 0.747 301 L CB -0.409 41.616 42.059 -0.056 0.000 0.896 301 L HN 0.142 nan 8.230 nan 0.000 0.432 302 L N -0.077 121.153 121.223 0.011 0.000 2.017 302 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 302 L C 2.919 179.902 176.870 0.189 0.000 1.073 302 L CA 2.113 56.994 54.840 0.068 0.000 0.745 302 L CB -0.712 41.408 42.059 0.102 0.000 0.894 302 L HN 0.372 nan 8.230 nan 0.000 0.432 303 S N -2.781 113.019 115.700 0.168 0.000 2.419 303 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 303 S C 1.926 176.620 174.600 0.157 0.000 1.016 303 S CA 1.555 59.876 58.200 0.200 0.000 0.974 303 S CB -0.928 62.312 63.200 0.067 0.000 0.786 303 S HN 0.446 nan 8.310 nan 0.000 0.492 304 T N 2.984 117.586 114.554 0.080 0.000 2.746 304 T HA 0.112 4.462 4.350 -0.000 0.000 0.267 304 T C 1.682 176.409 174.700 0.045 0.000 1.039 304 T CA 1.423 63.550 62.100 0.044 0.000 1.142 304 T CB -0.489 68.385 68.868 0.009 0.000 0.866 304 T HN 0.338 nan 8.240 nan 0.000 0.444 305 L N -0.452 120.783 121.223 0.020 0.000 2.046 305 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 305 L C 2.288 179.119 176.870 -0.065 0.000 1.077 305 L CA 1.411 56.224 54.840 -0.045 0.000 0.747 305 L CB -0.590 41.394 42.059 -0.124 0.000 0.896 305 L HN 0.242 nan 8.230 nan 0.000 0.432 306 F N 0.070 120.026 119.950 0.011 0.000 2.134 306 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 306 F C 2.646 178.452 175.800 0.011 0.000 1.097 306 F CA 1.212 59.218 58.000 0.010 0.000 1.264 306 F CB -0.495 38.503 39.000 -0.003 0.000 1.001 306 F HN 0.009 nan 8.300 nan 0.000 0.479 307 A N -0.236 122.701 122.820 0.195 0.000 2.024 307 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 307 A C 2.096 179.723 177.584 0.072 0.000 1.164 307 A CA 1.580 53.680 52.037 0.106 0.000 0.643 307 A CB -1.072 17.970 19.000 0.069 0.000 0.806 307 A HN 0.291 nan 8.150 nan 0.000 0.451 308 A N -1.306 121.552 122.820 0.063 0.000 2.307 308 A HA 0.407 4.727 4.320 -0.000 0.000 0.218 308 A C 1.776 179.400 177.584 0.066 0.000 1.228 308 A CA 0.308 52.378 52.037 0.055 0.000 0.857 308 A CB -0.484 18.546 19.000 0.051 0.000 0.897 308 A HN 0.507 nan 8.150 nan 0.000 0.495 309 M N 0.699 120.339 119.600 0.066 0.000 2.200 309 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 309 M C -1.115 175.219 176.300 0.056 0.000 1.066 309 M CA 1.041 56.379 55.300 0.064 0.000 1.127 309 M CB -0.904 31.738 32.600 0.070 0.000 1.379 309 M HN 0.136 nan 8.290 nan 0.000 0.420 310 P HA 0.023 nan 4.420 nan 0.000 0.235 310 P C -1.219 176.090 177.300 0.015 0.000 1.765 310 P CA 0.319 63.434 63.100 0.025 0.000 1.034 310 P CB -0.615 31.096 31.700 0.018 0.000 1.984 311 Q N 1.472 121.287 119.800 0.025 0.000 2.288 311 Q HA 0.136 4.476 4.340 -0.000 0.000 0.258 311 Q C 0.043 176.034 176.000 -0.015 0.000 0.957 311 Q CA -0.404 55.413 55.803 0.023 0.000 0.919 311 Q CB 0.738 29.503 28.738 0.045 0.000 1.185 311 Q HN 0.385 nan 8.270 nan 0.000 0.408 312 E N 3.274 123.451 120.200 -0.039 0.000 2.384 312 E HA -0.002 4.348 4.350 -0.000 0.000 0.266 312 E C 0.142 176.715 176.600 -0.045 0.000 1.012 312 E CA -0.254 56.069 56.400 -0.128 0.000 0.901 312 E CB 0.274 29.887 29.700 -0.145 0.000 0.967 312 E HN 0.470 nan 8.360 nan 0.000 0.435 313 H N 2.163 121.235 119.070 0.004 0.000 1.452 313 H HA -0.255 4.301 4.556 -0.000 0.000 0.090 313 H C 0.912 176.233 175.328 -0.013 0.000 1.010 313 H CA 1.799 57.845 56.048 -0.003 0.000 1.901 313 H CB -0.950 28.809 29.762 -0.005 0.000 2.257 313 H HN 0.704 nan 8.280 nan 0.000 0.961 314 E N 1.716 122.002 120.200 0.142 0.000 2.371 314 E HA 0.196 4.546 4.350 -0.000 0.000 0.194 314 E C 0.706 177.274 176.600 -0.053 0.000 1.012 314 E CA 0.566 56.987 56.400 0.034 0.000 0.860 314 E CB 0.458 30.159 29.700 0.001 0.000 0.811 314 E HN 0.256 nan 8.360 nan 0.000 0.502 315 R N -0.410 120.060 120.500 -0.050 0.000 2.808 315 R HA 0.189 4.529 4.340 -0.000 0.000 0.254 315 R C -1.580 174.708 176.300 -0.020 0.000 1.145 315 R CA -0.130 55.880 56.100 -0.151 0.000 1.066 315 R CB 1.077 31.231 30.300 -0.243 0.000 1.268 315 R HN 0.058 nan 8.270 nan 0.000 0.447 316 S N 5.276 120.982 115.700 0.010 0.000 2.489 316 S HA 0.562 5.032 4.470 -0.000 0.000 0.291 316 S C -0.359 174.399 174.600 0.263 0.000 1.151 316 S CA -0.920 57.348 58.200 0.113 0.000 1.082 316 S CB 0.835 64.089 63.200 0.091 0.000 1.019 316 S HN 0.454 nan 8.310 nan 0.000 0.492 317 L N 3.364 124.713 121.223 0.211 0.000 2.309 317 L HA 0.885 5.225 4.340 -0.000 0.000 0.282 317 L C 1.006 177.928 176.870 0.087 0.000 1.036 317 L CA 0.467 55.455 54.840 0.245 0.000 0.806 317 L CB -0.222 41.914 42.059 0.129 0.000 1.220 317 L HN 1.030 nan 8.230 nan 0.000 0.429 318 G N 2.700 111.500 108.800 0.000 0.000 4.165 318 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.211 318 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.211 318 G C 0.887 175.773 174.900 -0.023 0.000 1.469 318 G CA 0.228 45.246 45.100 -0.138 0.000 0.964 318 G HN 0.600 nan 8.290 nan 0.000 0.613 319 L N -0.832 120.422 121.223 0.051 0.000 2.046 319 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 319 L C 2.602 179.533 176.870 0.102 0.000 1.077 319 L CA 2.472 57.347 54.840 0.059 0.000 0.747 319 L CB -0.517 41.588 42.059 0.076 0.000 0.896 319 L HN 0.577 nan 8.230 nan 0.000 0.432 320 W N 1.190 122.465 121.300 -0.042 0.000 2.388 320 W HA -0.154 4.506 4.660 -0.000 0.000 0.294 320 W C 2.516 178.753 176.519 -0.469 0.000 1.212 320 W CA 1.416 58.704 57.345 -0.095 0.000 1.271 320 W CB -0.541 28.915 29.460 -0.007 0.000 1.126 320 W HN 0.199 nan 8.180 nan 0.000 0.535 321 H N -0.060 118.469 119.070 -0.901 0.000 2.421 321 H HA 0.008 4.564 4.556 -0.000 0.000 0.298 321 H C 2.322 177.001 175.328 -1.081 0.000 1.087 321 H CA 2.143 57.108 56.048 -1.804 0.000 1.330 321 H CB -0.989 28.047 29.762 -1.209 0.000 1.388 321 H HN 0.161 nan 8.280 nan 0.000 0.526 322 A N 0.870 123.451 122.820 -0.398 0.000 2.070 322 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 322 A C 1.994 179.492 177.584 -0.143 0.000 1.159 322 A CA 1.552 53.463 52.037 -0.209 0.000 0.656 322 A CB -0.210 18.729 19.000 -0.102 0.000 0.800 322 A HN 0.532 nan 8.150 nan 0.000 0.453 323 E N -1.026 119.090 120.200 -0.140 0.000 2.107 323 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 323 E C 1.656 178.338 176.600 0.137 0.000 0.982 323 E CA 0.818 57.243 56.400 0.042 0.000 0.809 323 E CB -0.255 29.559 29.700 0.189 0.000 0.756 323 E HN 0.808 nan 8.360 nan 0.000 0.459 324 W N 1.864 123.097 121.300 -0.113 0.000 2.277 324 W HA -0.235 4.424 4.660 -0.000 0.000 0.327 324 W C 1.971 178.445 176.519 -0.075 0.000 1.284 324 W CA 1.074 58.346 57.345 -0.123 0.000 1.277 324 W CB -0.887 28.447 29.460 -0.210 0.000 1.141 324 W HN 0.130 nan 8.180 nan 0.000 0.482 325 E N -1.676 118.617 120.200 0.154 0.000 2.415 325 E HA 0.008 4.358 4.350 -0.000 0.000 0.197 325 E C 1.957 178.556 176.600 -0.002 0.000 1.007 325 E CA 0.875 57.314 56.400 0.064 0.000 0.890 325 E CB -0.497 29.237 29.700 0.057 0.000 0.891 325 E HN 0.195 nan 8.360 nan 0.000 0.496 326 T N 2.316 116.870 114.554 -0.000 0.000 2.701 326 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 326 T C 2.000 176.662 174.700 -0.064 0.000 1.040 326 T CA 0.558 62.639 62.100 -0.031 0.000 1.147 326 T CB -0.197 68.659 68.868 -0.019 0.000 0.865 326 T HN 0.092 nan 8.240 nan 0.000 0.426 327 L N 1.032 122.229 121.223 -0.042 0.000 2.012 327 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 327 L C -0.709 176.012 176.870 -0.247 0.000 1.073 327 L CA 1.733 56.531 54.840 -0.070 0.000 0.748 327 L CB -1.071 41.008 42.059 0.033 0.000 0.891 327 L HN 0.214 nan 8.230 nan 0.000 0.431 328 P HA -0.138 nan 4.420 nan 0.000 0.215 328 P C 0.869 177.882 177.300 -0.478 0.000 1.153 328 P CA 1.302 63.903 63.100 -0.832 0.000 0.853 328 P CB 0.010 31.374 31.700 -0.560 0.000 0.788 329 D N -0.813 119.447 120.400 -0.234 0.000 2.123 329 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 329 D C 1.934 178.146 176.300 -0.146 0.000 0.992 329 D CA 1.001 54.916 54.000 -0.141 0.000 0.833 329 D CB -0.707 40.039 40.800 -0.090 0.000 0.954 329 D HN 0.164 nan 8.370 nan 0.000 0.455 330 I N 0.207 120.681 120.570 -0.160 0.000 2.179 330 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 330 I C 2.455 178.485 176.117 -0.144 0.000 1.088 330 I CA 0.713 61.925 61.300 -0.147 0.000 1.357 330 I CB -0.275 37.636 38.000 -0.149 0.000 1.051 330 I HN 0.100 nan 8.210 nan 0.000 0.409 331 C N 0.232 119.428 119.300 -0.172 0.000 2.413 331 C HA -0.202 4.258 4.460 -0.000 0.000 0.276 331 C C 3.163 178.160 174.990 0.011 0.000 1.248 331 C CA 0.660 59.644 59.018 -0.058 0.000 1.742 331 C CB -1.113 26.633 27.740 0.009 0.000 2.017 331 C HN 0.638 nan 8.230 nan 0.000 0.481 332 C N -0.430 118.855 119.300 -0.025 0.000 2.453 332 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 332 C C 2.532 177.537 174.990 0.025 0.000 1.262 332 C CA 0.628 59.678 59.018 0.052 0.000 1.718 332 C CB -1.469 26.302 27.740 0.053 0.000 2.031 332 C HN 0.533 nan 8.230 nan 0.000 0.480 333 L N 0.811 122.014 121.223 -0.034 0.000 2.012 333 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 333 L C 2.570 179.409 176.870 -0.052 0.000 1.073 333 L CA 1.830 56.630 54.840 -0.067 0.000 0.748 333 L CB -1.207 40.781 42.059 -0.119 0.000 0.891 333 L HN 0.187 nan 8.230 nan 0.000 0.431 334 V N -0.658 119.224 119.914 -0.052 0.000 2.427 334 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 334 V C 2.651 178.747 176.094 0.004 0.000 1.051 334 V CA 1.509 63.784 62.300 -0.042 0.000 1.048 334 V CB -0.844 30.936 31.823 -0.072 0.000 0.666 334 V HN 0.679 nan 8.190 nan 0.000 0.456 335 S N 1.251 116.973 115.700 0.036 0.000 2.383 335 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 335 S C 2.073 176.712 174.600 0.065 0.000 1.030 335 S CA 1.631 59.871 58.200 0.068 0.000 1.002 335 S CB -0.897 62.366 63.200 0.105 0.000 0.829 335 S HN 0.540 nan 8.310 nan 0.000 0.467 336 G N 0.959 109.796 108.800 0.061 0.000 2.421 336 G HA2 0.201 4.161 3.960 -0.000 0.000 0.217 336 G HA3 0.201 4.161 3.960 -0.000 0.000 0.217 336 G C 1.627 176.557 174.900 0.050 0.000 1.143 336 G CA 0.656 45.798 45.100 0.070 0.000 0.784 336 G HN 0.787 nan 8.290 nan 0.000 0.541 337 A N 0.527 123.361 122.820 0.023 0.000 1.897 337 A HA 0.199 4.519 4.320 -0.000 0.000 0.215 337 A C 2.383 179.998 177.584 0.051 0.000 1.181 337 A CA 0.907 52.957 52.037 0.021 0.000 0.620 337 A CB -0.373 18.624 19.000 -0.005 0.000 0.821 337 A HN 0.325 nan 8.150 nan 0.000 0.443 338 L N -0.917 120.334 121.223 0.046 0.000 2.046 338 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 338 L C 2.830 179.740 176.870 0.067 0.000 1.077 338 L CA 1.745 56.617 54.840 0.053 0.000 0.747 338 L CB -0.411 41.677 42.059 0.047 0.000 0.896 338 L HN 0.466 nan 8.230 nan 0.000 0.432 339 R N -0.228 120.314 120.500 0.070 0.000 2.080 339 R HA -0.248 4.092 4.340 -0.000 0.000 0.236 339 R C 2.340 178.692 176.300 0.087 0.000 1.137 339 R CA 1.911 58.057 56.100 0.077 0.000 0.943 339 R CB -0.139 30.211 30.300 0.082 0.000 0.846 339 R HN 0.219 nan 8.270 nan 0.000 0.431 340 Q N -0.058 119.796 119.800 0.091 0.000 2.167 340 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 340 Q C 1.777 177.850 176.000 0.121 0.000 0.970 340 Q CA 1.865 57.729 55.803 0.102 0.000 0.855 340 Q CB -0.157 28.635 28.738 0.090 0.000 0.911 340 Q HN 0.473 nan 8.270 nan 0.000 0.438 341 A N -0.288 122.616 122.820 0.139 0.000 1.969 341 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 341 A C 1.985 179.684 177.584 0.193 0.000 1.169 341 A CA 1.619 53.792 52.037 0.227 0.000 0.635 341 A CB -0.512 18.614 19.000 0.209 0.000 0.810 341 A HN 0.396 nan 8.150 nan 0.000 0.445 342 Q N -0.077 119.793 119.800 0.116 0.000 2.079 342 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 342 Q C 1.852 177.911 176.000 0.098 0.000 0.974 342 Q CA 2.072 57.926 55.803 0.086 0.000 0.840 342 Q CB -0.617 28.161 28.738 0.066 0.000 0.898 342 Q HN 0.300 nan 8.270 nan 0.000 0.430 343 V N 1.388 121.363 119.914 0.101 0.000 2.255 343 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 343 V C 2.338 178.494 176.094 0.104 0.000 1.051 343 V CA 2.055 64.411 62.300 0.093 0.000 1.018 343 V CB -0.829 31.047 31.823 0.089 0.000 0.641 343 V HN 0.686 nan 8.190 nan 0.000 0.445 344 I N -0.203 120.443 120.570 0.126 0.000 2.439 344 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 344 I C 2.326 178.553 176.117 0.183 0.000 1.139 344 I CA 1.755 63.130 61.300 0.126 0.000 1.438 344 I CB -0.490 37.551 38.000 0.068 0.000 1.085 344 I HN 0.175 nan 8.210 nan 0.000 0.427 345 A N 2.120 125.082 122.820 0.236 0.000 1.902 345 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 345 A C 2.347 179.999 177.584 0.114 0.000 1.181 345 A CA 1.902 54.059 52.037 0.200 0.000 0.623 345 A CB -0.799 18.252 19.000 0.085 0.000 0.818 345 A HN 0.794 nan 8.150 nan 0.000 0.443 346 E N -1.123 119.133 120.200 0.092 0.000 2.478 346 E HA 0.171 4.521 4.350 -0.000 0.000 0.194 346 E C 1.058 177.705 176.600 0.078 0.000 1.045 346 E CA 0.670 57.114 56.400 0.074 0.000 0.868 346 E CB -0.060 29.677 29.700 0.061 0.000 0.885 346 E HN 0.405 nan 8.360 nan 0.000 0.505 347 G N 1.559 110.411 108.800 0.086 0.000 3.979 347 G HA2 0.239 4.198 3.960 -0.000 0.000 0.287 347 G HA3 0.239 4.198 3.960 -0.000 0.000 0.287 347 G C 0.065 175.017 174.900 0.087 0.000 1.011 347 G CA -0.464 44.684 45.100 0.080 0.000 0.818 347 G HN 0.092 nan 8.290 nan 0.000 0.470 348 M N 0.468 120.123 119.600 0.092 0.000 2.238 348 M HA 0.504 4.984 4.480 -0.000 0.000 0.347 348 M C -0.296 176.064 176.300 0.099 0.000 1.173 348 M CA -0.093 55.261 55.300 0.090 0.000 1.147 348 M CB 0.206 32.845 32.600 0.064 0.000 1.547 348 M HN -0.067 nan 8.290 nan 0.000 0.455 349 E N 1.577 121.864 120.200 0.145 0.000 2.200 349 E HA 0.531 4.880 4.350 -0.000 0.000 0.283 349 E C -1.068 175.652 176.600 0.199 0.000 1.015 349 E CA -0.741 55.765 56.400 0.177 0.000 0.819 349 E CB 1.449 31.269 29.700 0.200 0.000 1.081 349 E HN 0.542 nan 8.360 nan 0.000 0.397 350 V N 2.720 122.726 119.914 0.153 0.000 2.483 350 V HA 0.165 4.285 4.120 -0.000 0.000 0.295 350 V C -0.250 175.941 176.094 0.162 0.000 1.035 350 V CA -0.677 61.694 62.300 0.118 0.000 0.896 350 V CB 1.776 33.640 31.823 0.068 0.000 0.986 350 V HN 0.669 nan 8.190 nan 0.000 0.447 351 D N 3.131 123.624 120.400 0.154 0.000 2.460 351 D HA 0.454 5.094 4.640 -0.000 0.000 0.268 351 D C 0.893 177.255 176.300 0.103 0.000 1.153 351 D CA -0.085 54.007 54.000 0.153 0.000 0.929 351 D CB 1.548 42.480 40.800 0.220 0.000 1.015 351 D HN 0.582 nan 8.370 nan 0.000 0.502 352 A N 2.597 125.477 122.820 0.099 0.000 1.978 352 A HA -0.073 4.246 4.320 -0.000 0.000 0.220 352 A C 2.116 179.739 177.584 0.066 0.000 1.170 352 A CA 1.779 53.865 52.037 0.082 0.000 0.636 352 A CB -0.180 18.873 19.000 0.089 0.000 0.810 352 A HN 0.533 nan 8.150 nan 0.000 0.448 353 A N -0.116 122.745 122.820 0.068 0.000 1.877 353 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 353 A C 2.184 179.805 177.584 0.062 0.000 1.186 353 A CA 2.045 54.118 52.037 0.060 0.000 0.620 353 A CB -0.427 18.608 19.000 0.058 0.000 0.822 353 A HN 0.441 nan 8.150 nan 0.000 0.443 354 R N -0.125 120.419 120.500 0.074 0.000 2.096 354 R HA 0.002 4.342 4.340 -0.000 0.000 0.235 354 R C 2.000 178.336 176.300 0.060 0.000 1.127 354 R CA 2.021 58.166 56.100 0.074 0.000 0.968 354 R CB -0.699 29.660 30.300 0.098 0.000 0.861 354 R HN 0.600 nan 8.270 nan 0.000 0.440 355 M N -0.187 119.443 119.600 0.050 0.000 2.117 355 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 355 M C 2.186 178.510 176.300 0.040 0.000 1.065 355 M CA 1.535 56.855 55.300 0.033 0.000 1.114 355 M CB -0.290 32.325 32.600 0.026 0.000 1.361 355 M HN 0.016 nan 8.290 nan 0.000 0.408 356 R N 0.101 120.630 120.500 0.047 0.000 2.073 356 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 356 R C 2.217 178.554 176.300 0.063 0.000 1.134 356 R CA 1.478 57.608 56.100 0.051 0.000 0.952 356 R CB -0.713 29.615 30.300 0.048 0.000 0.850 356 R HN 0.408 nan 8.270 nan 0.000 0.433 357 R N 0.626 121.164 120.500 0.063 0.000 2.083 357 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 357 R C 1.838 178.188 176.300 0.082 0.000 1.137 357 R CA 1.736 57.877 56.100 0.069 0.000 0.951 357 R CB -0.141 30.197 30.300 0.063 0.000 0.851 357 R HN 0.212 nan 8.270 nan 0.000 0.434 358 N N 0.627 119.379 118.700 0.087 0.000 2.289 358 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 358 N C 1.778 177.386 175.510 0.164 0.000 1.016 358 N CA 0.809 53.935 53.050 0.128 0.000 0.872 358 N CB -0.179 38.381 38.487 0.120 0.000 0.973 358 N HN 0.240 nan 8.380 nan 0.000 0.433 359 L N 0.997 122.279 121.223 0.099 0.000 2.043 359 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 359 L C 0.475 177.421 176.870 0.126 0.000 1.075 359 L CA 1.267 56.160 54.840 0.088 0.000 0.752 359 L CB -0.213 41.883 42.059 0.062 0.000 0.891 359 L HN 0.252 nan 8.230 nan 0.000 0.432 360 D N -0.560 119.910 120.400 0.117 0.000 3.179 360 D HA 0.022 4.662 4.640 -0.000 0.000 0.267 360 D C 1.203 177.533 176.300 0.050 0.000 1.348 360 D CA -0.165 53.890 54.000 0.092 0.000 0.897 360 D CB 0.902 41.816 40.800 0.190 0.000 1.062 360 D HN 0.141 nan 8.370 nan 0.000 0.494 361 L N 1.259 122.523 121.223 0.069 0.000 2.375 361 L HA 0.028 4.368 4.340 -0.000 0.000 0.215 361 L C 1.881 178.721 176.870 -0.050 0.000 1.108 361 L CA 1.290 56.138 54.840 0.012 0.000 0.830 361 L CB -0.167 41.900 42.059 0.013 0.000 0.959 361 L HN 0.213 nan 8.230 nan 0.000 0.457 362 T N -3.963 110.570 114.554 -0.035 0.000 3.122 362 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 362 T C 0.582 175.202 174.700 -0.132 0.000 1.067 362 T CA -0.225 61.832 62.100 -0.072 0.000 0.966 362 T CB -0.240 68.615 68.868 -0.022 0.000 1.002 362 T HN 0.375 nan 8.240 nan 0.000 0.542 363 Q N 0.560 120.242 119.800 -0.196 0.000 2.452 363 Q HA -0.214 4.126 4.340 -0.000 0.000 0.318 363 Q C 1.200 176.778 176.000 -0.704 0.000 1.386 363 Q CA 0.460 55.959 55.803 -0.508 0.000 0.872 363 Q CB -2.030 26.483 28.738 -0.374 0.000 1.151 363 Q HN 0.995 nan 8.270 nan 0.000 0.417 364 G N -0.864 107.706 108.800 -0.383 0.000 2.212 364 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.266 364 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.266 364 G C 0.630 175.481 174.900 -0.081 0.000 0.978 364 G CA 0.494 45.506 45.100 -0.147 0.000 0.632 364 G HN 0.438 nan 8.290 nan 0.000 0.537 365 L N -0.140 121.024 121.223 -0.098 0.000 2.191 365 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 365 L C 2.743 179.602 176.870 -0.020 0.000 1.103 365 L CA 1.259 56.065 54.840 -0.057 0.000 0.769 365 L CB -0.379 41.644 42.059 -0.059 0.000 0.908 365 L HN 0.245 nan 8.230 nan 0.000 0.438 366 V N -0.278 119.640 119.914 0.007 0.000 3.141 366 V HA -0.143 3.977 4.120 -0.000 0.000 0.265 366 V C 1.664 177.781 176.094 0.039 0.000 1.126 366 V CA 1.009 63.336 62.300 0.045 0.000 1.141 366 V CB 0.182 32.056 31.823 0.085 0.000 0.743 366 V HN 0.278 nan 8.190 nan 0.000 0.492 367 L N -0.486 120.735 121.223 -0.003 0.000 2.693 367 L HA 0.452 4.792 4.340 -0.000 0.000 0.235 367 L C 2.231 179.026 176.870 -0.125 0.000 1.127 367 L CA 1.075 55.874 54.840 -0.069 0.000 0.914 367 L CB -0.521 41.514 42.059 -0.039 0.000 1.193 367 L HN 0.239 nan 8.230 nan 0.000 0.502 368 A N -0.206 122.573 122.820 -0.068 0.000 1.927 368 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 368 A C 2.253 179.787 177.584 -0.083 0.000 1.185 368 A CA 2.166 54.163 52.037 -0.065 0.000 0.639 368 A CB -0.420 18.556 19.000 -0.040 0.000 0.820 368 A HN 0.535 nan 8.150 nan 0.000 0.451 369 E N -0.166 119.990 120.200 -0.074 0.000 2.085 369 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 369 E C 2.077 178.575 176.600 -0.170 0.000 0.994 369 E CA 1.217 57.589 56.400 -0.047 0.000 0.801 369 E CB -0.310 29.432 29.700 0.071 0.000 0.743 369 E HN 0.553 nan 8.360 nan 0.000 0.453 370 A N 0.386 122.892 122.820 -0.523 0.000 1.972 370 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 370 A C 2.316 179.727 177.584 -0.289 0.000 1.169 370 A CA 1.368 52.946 52.037 -0.766 0.000 0.635 370 A CB -0.315 17.902 19.000 -1.304 0.000 0.810 370 A HN 0.247 nan 8.150 nan 0.000 0.446 371 V N -1.045 118.751 119.914 -0.196 0.000 2.535 371 V HA -0.120 3.999 4.120 -0.000 0.000 0.246 371 V C 2.695 178.755 176.094 -0.056 0.000 1.045 371 V CA 1.841 64.081 62.300 -0.100 0.000 1.058 371 V CB -0.344 31.433 31.823 -0.076 0.000 0.689 371 V HN 0.639 nan 8.190 nan 0.000 0.461 372 S N 0.737 116.409 115.700 -0.046 0.000 2.387 372 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 372 S C 2.003 176.612 174.600 0.015 0.000 1.035 372 S CA 2.274 60.473 58.200 -0.000 0.000 1.014 372 S CB -0.421 62.792 63.200 0.022 0.000 0.836 372 S HN 0.668 nan 8.310 nan 0.000 0.466 373 I N -0.948 119.629 120.570 0.011 0.000 2.286 373 I HA -0.016 4.154 4.170 -0.000 0.000 0.245 373 I C 2.076 178.205 176.117 0.020 0.000 1.104 373 I CA 1.114 62.432 61.300 0.030 0.000 1.397 373 I CB -0.847 37.187 38.000 0.057 0.000 1.072 373 I HN 0.125 nan 8.210 nan 0.000 0.417 374 V N 2.058 121.975 119.914 0.004 0.000 2.261 374 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 374 V C 2.614 178.710 176.094 0.002 0.000 1.047 374 V CA 1.844 64.145 62.300 0.001 0.000 1.015 374 V CB -0.658 31.157 31.823 -0.014 0.000 0.642 374 V HN 0.445 nan 8.190 nan 0.000 0.446 375 L N 0.063 121.286 121.223 -0.001 0.000 2.549 375 L HA -0.079 4.261 4.340 -0.000 0.000 0.229 375 L C 2.494 179.375 176.870 0.017 0.000 1.158 375 L CA 0.789 55.632 54.840 0.005 0.000 0.842 375 L CB -0.674 41.386 42.059 0.002 0.000 0.952 375 L HN 0.382 nan 8.230 nan 0.000 0.452 376 A N 0.528 123.361 122.820 0.021 0.000 1.897 376 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 376 A C 2.277 179.874 177.584 0.021 0.000 1.181 376 A CA 1.380 53.433 52.037 0.028 0.000 0.620 376 A CB -0.198 18.819 19.000 0.029 0.000 0.821 376 A HN 0.602 nan 8.150 nan 0.000 0.443 377 Q N -1.749 118.061 119.800 0.017 0.000 2.165 377 Q HA 0.038 4.377 4.340 -0.000 0.000 0.197 377 Q C 1.985 177.991 176.000 0.011 0.000 0.952 377 Q CA 0.259 56.070 55.803 0.013 0.000 0.848 377 Q CB -0.306 28.439 28.738 0.012 0.000 0.931 377 Q HN 0.316 nan 8.270 nan 0.000 0.470 378 R N 0.617 121.122 120.500 0.009 0.000 2.117 378 R HA 0.023 4.363 4.340 -0.000 0.000 0.243 378 R C 1.293 177.599 176.300 0.009 0.000 1.143 378 R CA 1.028 57.132 56.100 0.006 0.000 0.968 378 R CB -0.355 29.947 30.300 0.003 0.000 0.863 378 R HN 0.331 nan 8.270 nan 0.000 0.444 379 L N -2.821 118.411 121.223 0.014 0.000 2.563 379 L HA 0.490 4.830 4.340 -0.000 0.000 0.255 379 L C 0.624 177.507 176.870 0.022 0.000 1.444 379 L CA -0.875 53.976 54.840 0.018 0.000 1.526 379 L CB 0.423 42.496 42.059 0.023 0.000 1.929 379 L HN -0.024 nan 8.230 nan 0.000 0.563 380 G N -0.585 108.232 108.800 0.028 0.000 2.338 380 G HA2 0.338 4.298 3.960 -0.000 0.000 0.298 380 G HA3 0.338 4.298 3.960 -0.000 0.000 0.298 380 G C 0.683 175.607 174.900 0.040 0.000 1.140 380 G CA -0.419 44.698 45.100 0.029 0.000 0.860 380 G HN 0.671 nan 8.290 nan 0.000 0.470 381 R N 1.302 121.821 120.500 0.033 0.000 2.170 381 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 381 R C 1.245 177.579 176.300 0.057 0.000 1.145 381 R CA 1.734 57.857 56.100 0.038 0.000 0.984 381 R CB -0.118 30.192 30.300 0.017 0.000 0.869 381 R HN 0.505 nan 8.270 nan 0.000 0.455 382 D N 0.780 121.209 120.400 0.049 0.000 2.162 382 D HA -0.123 4.517 4.640 -0.000 0.000 0.203 382 D C 1.953 178.321 176.300 0.114 0.000 0.967 382 D CA 0.739 54.778 54.000 0.065 0.000 0.840 382 D CB 0.015 40.834 40.800 0.032 0.000 0.972 382 D HN 0.319 nan 8.370 nan 0.000 0.482 383 R N 0.243 120.797 120.500 0.090 0.000 2.075 383 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 383 R C 2.259 178.636 176.300 0.128 0.000 1.114 383 R CA 1.103 57.266 56.100 0.104 0.000 0.972 383 R CB -0.133 30.207 30.300 0.067 0.000 0.869 383 R HN 0.069 nan 8.270 nan 0.000 0.437 384 A N 0.371 123.251 122.820 0.100 0.000 1.908 384 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 384 A C 1.916 179.557 177.584 0.096 0.000 1.181 384 A CA 1.916 54.000 52.037 0.078 0.000 0.627 384 A CB -0.939 18.098 19.000 0.063 0.000 0.818 384 A HN 0.593 nan 8.150 nan 0.000 0.445 385 H N -0.831 118.263 119.070 0.039 0.000 2.265 385 H HA -0.263 4.293 4.556 -0.000 0.000 0.295 385 H C 2.005 177.361 175.328 0.047 0.000 1.084 385 H CA 2.625 58.695 56.048 0.037 0.000 1.261 385 H CB -0.577 29.212 29.762 0.044 0.000 1.360 385 H HN 0.722 nan 8.280 nan 0.000 0.487 386 H N -0.477 118.577 119.070 -0.027 0.000 2.265 386 H HA -0.141 4.415 4.556 -0.000 0.000 0.295 386 H C 2.290 177.563 175.328 -0.091 0.000 1.084 386 H CA 2.005 58.001 56.048 -0.087 0.000 1.261 386 H CB -0.776 28.983 29.762 -0.005 0.000 1.360 386 H HN 0.379 nan 8.280 nan 0.000 0.487 387 L N -0.350 120.779 121.223 -0.157 0.000 2.129 387 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 387 L C 2.215 178.972 176.870 -0.188 0.000 1.087 387 L CA 1.480 56.205 54.840 -0.191 0.000 0.757 387 L CB -0.783 41.258 42.059 -0.030 0.000 0.896 387 L HN 0.455 nan 8.230 nan 0.000 0.434 388 L N -0.873 120.256 121.223 -0.156 0.000 2.127 388 L HA -0.069 4.271 4.340 -0.000 0.000 0.203 388 L C 2.369 179.136 176.870 -0.172 0.000 1.080 388 L CA 1.466 56.227 54.840 -0.132 0.000 0.768 388 L CB -0.525 41.483 42.059 -0.086 0.000 0.924 388 L HN 0.327 nan 8.230 nan 0.000 0.444 389 E N -0.961 119.089 120.200 -0.249 0.000 2.153 389 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 389 E C 1.982 178.462 176.600 -0.199 0.000 0.988 389 E CA 1.115 57.379 56.400 -0.228 0.000 0.811 389 E CB -0.102 29.428 29.700 -0.283 0.000 0.746 389 E HN 0.598 nan 8.360 nan 0.000 0.466 390 Q N 0.349 119.987 119.800 -0.269 0.000 2.084 390 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 390 Q C 2.162 178.075 176.000 -0.145 0.000 0.978 390 Q CA 1.534 57.196 55.803 -0.235 0.000 0.844 390 Q CB -0.054 28.473 28.738 -0.352 0.000 0.898 390 Q HN 0.321 nan 8.270 nan 0.000 0.426 391 C N -0.320 118.900 119.300 -0.133 0.000 2.440 391 C HA -0.108 4.352 4.460 -0.000 0.000 0.278 391 C C 2.860 177.807 174.990 -0.072 0.000 1.295 391 C CA 0.310 59.276 59.018 -0.085 0.000 1.738 391 C CB -1.003 26.694 27.740 -0.071 0.000 1.987 391 C HN 0.700 nan 8.230 nan 0.000 0.492 392 C N -0.283 118.967 119.300 -0.083 0.000 2.476 392 C HA -0.079 4.381 4.460 -0.000 0.000 0.278 392 C C 3.377 178.328 174.990 -0.066 0.000 1.274 392 C CA 1.663 60.638 59.018 -0.071 0.000 1.713 392 C CB -1.568 26.127 27.740 -0.075 0.000 2.039 392 C HN 0.742 nan 8.230 nan 0.000 0.484 393 Q N 0.539 120.295 119.800 -0.074 0.000 2.197 393 Q HA -0.226 4.114 4.340 -0.000 0.000 0.207 393 Q C 2.186 178.156 176.000 -0.050 0.000 0.984 393 Q CA 2.904 58.670 55.803 -0.061 0.000 0.869 393 Q CB -0.968 27.730 28.738 -0.067 0.000 0.906 393 Q HN 0.826 nan 8.270 nan 0.000 0.426 394 R N -0.121 120.348 120.500 -0.052 0.000 2.066 394 R HA 0.497 4.837 4.340 -0.000 0.000 0.224 394 R C 2.760 179.040 176.300 -0.032 0.000 1.122 394 R CA 1.779 57.856 56.100 -0.039 0.000 0.974 394 R CB -1.292 28.984 30.300 -0.039 0.000 0.871 394 R HN 1.028 nan 8.270 nan 0.000 0.435 395 A N 0.526 123.324 122.820 -0.035 0.000 2.032 395 A HA 0.009 4.328 4.320 -0.000 0.000 0.221 395 A C 2.439 180.001 177.584 -0.037 0.000 1.165 395 A CA 1.805 53.823 52.037 -0.031 0.000 0.645 395 A CB -0.411 18.567 19.000 -0.038 0.000 0.807 395 A HN 0.345 nan 8.150 nan 0.000 0.453 396 V N -0.809 119.081 119.914 -0.041 0.000 2.300 396 V HA -0.049 4.071 4.120 -0.000 0.000 0.241 396 V C 2.936 179.012 176.094 -0.031 0.000 1.034 396 V CA 1.397 63.673 62.300 -0.040 0.000 1.021 396 V CB -1.283 30.515 31.823 -0.042 0.000 0.662 396 V HN 0.604 nan 8.190 nan 0.000 0.458 397 A N 1.489 124.292 122.820 -0.029 0.000 1.849 397 A HA -0.288 4.032 4.320 -0.000 0.000 0.216 397 A C 1.916 179.489 177.584 -0.018 0.000 1.225 397 A CA 2.161 54.185 52.037 -0.023 0.000 0.653 397 A CB -0.926 18.061 19.000 -0.022 0.000 0.844 397 A HN 0.769 nan 8.150 nan 0.000 0.453 398 E N 1.556 121.746 120.200 -0.016 0.000 2.405 398 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 398 E C -0.300 176.295 176.600 -0.009 0.000 1.149 398 E CA 0.304 56.698 56.400 -0.011 0.000 0.933 398 E CB -1.003 28.692 29.700 -0.009 0.000 1.028 398 E HN 0.735 nan 8.360 nan 0.000 0.487 399 Q N 1.159 120.950 119.800 -0.015 0.000 2.692 399 Q HA -0.289 4.050 4.340 -0.000 0.000 0.138 399 Q C -0.705 175.292 176.000 -0.005 0.000 1.410 399 Q CA 1.084 56.878 55.803 -0.016 0.000 0.589 399 Q CB -1.132 27.596 28.738 -0.016 0.000 0.730 399 Q HN 0.658 nan 8.270 nan 0.000 0.319 400 R N -0.044 120.454 120.500 -0.002 0.000 2.664 400 R HA 0.368 4.708 4.340 -0.000 0.000 0.260 400 R C -0.948 175.378 176.300 0.043 0.000 1.062 400 R CA -1.129 54.988 56.100 0.027 0.000 0.902 400 R CB 0.543 30.862 30.300 0.031 0.000 1.258 400 R HN 0.473 nan 8.270 nan 0.000 0.465 401 H N 1.766 120.831 119.070 -0.007 0.000 3.119 401 H HA -0.069 4.487 4.556 -0.000 0.000 0.334 401 H C 0.542 175.863 175.328 -0.012 0.000 1.042 401 H CA 1.161 57.205 56.048 -0.006 0.000 1.354 401 H CB 0.942 30.703 29.762 -0.002 0.000 1.285 401 H HN 0.665 nan 8.280 nan 0.000 0.601 402 L N 3.740 125.043 121.223 0.134 0.000 2.156 402 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 402 L C 2.596 179.577 176.870 0.185 0.000 1.095 402 L CA 1.028 55.937 54.840 0.115 0.000 0.770 402 L CB -0.136 41.939 42.059 0.027 0.000 0.914 402 L HN 0.539 nan 8.230 nan 0.000 0.439 403 R N 0.647 121.366 120.500 0.365 0.000 2.096 403 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 403 R C 2.085 178.403 176.300 0.031 0.000 1.139 403 R CA 2.099 58.247 56.100 0.080 0.000 0.952 403 R CB -0.753 29.446 30.300 -0.169 0.000 0.854 403 R HN 0.408 nan 8.270 nan 0.000 0.436 404 A N -0.342 122.507 122.820 0.050 0.000 1.855 404 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 404 A C 2.368 179.964 177.584 0.020 0.000 1.191 404 A CA 1.729 53.781 52.037 0.024 0.000 0.613 404 A CB -0.879 18.142 19.000 0.035 0.000 0.829 404 A HN 0.175 nan 8.150 nan 0.000 0.442 405 V N 0.279 120.211 119.914 0.030 0.000 2.380 405 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 405 V C 2.510 178.603 176.094 -0.002 0.000 1.063 405 V CA 2.065 64.370 62.300 0.008 0.000 1.055 405 V CB -0.829 30.995 31.823 0.001 0.000 0.657 405 V HN 0.546 nan 8.190 nan 0.000 0.455 406 L N 0.156 121.381 121.223 0.004 0.000 2.217 406 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 406 L C 2.549 179.414 176.870 -0.008 0.000 1.107 406 L CA 1.316 56.152 54.840 -0.007 0.000 0.783 406 L CB -0.863 41.193 42.059 -0.004 0.000 0.919 406 L HN 0.466 nan 8.230 nan 0.000 0.442 407 G N -0.806 107.991 108.800 -0.006 0.000 2.448 407 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 407 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 407 G C 0.846 175.741 174.900 -0.008 0.000 1.135 407 G CA 0.407 45.502 45.100 -0.009 0.000 0.784 407 G HN 0.273 nan 8.290 nan 0.000 0.543 408 D N -0.100 120.296 120.400 -0.007 0.000 2.325 408 D HA 0.134 4.774 4.640 -0.000 0.000 0.225 408 D C 0.309 176.604 176.300 -0.008 0.000 1.096 408 D CA 0.085 54.081 54.000 -0.007 0.000 0.844 408 D CB 0.611 41.407 40.800 -0.005 0.000 0.925 408 D HN 0.338 nan 8.370 nan 0.000 0.513 409 E N 0.911 121.105 120.200 -0.010 0.000 2.055 409 E HA 0.224 4.574 4.350 -0.000 0.000 0.274 409 E C -1.937 174.658 176.600 -0.008 0.000 0.949 409 E CA -2.213 54.180 56.400 -0.012 0.000 0.775 409 E CB 1.627 31.316 29.700 -0.019 0.000 1.097 409 E HN -0.176 nan 8.360 nan 0.000 0.404 410 P HA -0.248 nan 4.420 nan 0.000 0.214 410 P C 0.710 178.009 177.300 -0.000 0.000 1.172 410 P CA 1.611 64.710 63.100 -0.001 0.000 0.925 410 P CB 0.253 31.954 31.700 0.002 0.000 0.793 411 Q N -0.989 118.812 119.800 0.003 0.000 2.135 411 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 411 Q C 2.107 178.107 176.000 0.000 0.000 0.981 411 Q CA 1.417 57.223 55.803 0.005 0.000 0.856 411 Q CB -1.328 27.418 28.738 0.013 0.000 0.902 411 Q HN 0.117 nan 8.270 nan 0.000 0.425 412 V N 0.271 120.182 119.914 -0.005 0.000 2.283 412 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 412 V C 2.059 178.148 176.094 -0.009 0.000 1.039 412 V CA 1.864 64.159 62.300 -0.009 0.000 1.016 412 V CB -0.857 30.957 31.823 -0.014 0.000 0.650 412 V HN 0.492 nan 8.190 nan 0.000 0.449 413 S N 0.865 116.560 115.700 -0.009 0.000 2.507 413 S HA 0.015 4.485 4.470 -0.000 0.000 0.235 413 S C 1.789 176.385 174.600 -0.007 0.000 0.988 413 S CA 1.007 59.202 58.200 -0.009 0.000 0.944 413 S CB -0.278 62.917 63.200 -0.009 0.000 0.762 413 S HN 0.553 nan 8.310 nan 0.000 0.526 414 A N 0.847 123.664 122.820 -0.005 0.000 2.132 414 A HA 0.232 4.552 4.320 -0.000 0.000 0.213 414 A C 2.144 179.726 177.584 -0.004 0.000 1.154 414 A CA 0.350 52.385 52.037 -0.003 0.000 0.753 414 A CB -0.023 18.976 19.000 -0.001 0.000 0.826 414 A HN 0.350 nan 8.150 nan 0.000 0.469 415 E N -0.893 119.305 120.200 -0.004 0.000 2.372 415 E HA 0.275 4.625 4.350 -0.000 0.000 0.201 415 E C -0.322 176.273 176.600 -0.008 0.000 0.938 415 E CA 0.394 56.791 56.400 -0.004 0.000 0.944 415 E CB 0.409 30.108 29.700 -0.002 0.000 0.937 415 E HN 0.502 nan 8.360 nan 0.000 0.495 416 L N 1.502 122.718 121.223 -0.011 0.000 2.381 416 L HA 0.276 4.615 4.340 -0.000 0.000 0.274 416 L C 0.417 177.277 176.870 -0.016 0.000 0.988 416 L CA -0.761 54.070 54.840 -0.016 0.000 0.824 416 L CB 1.985 44.032 42.059 -0.019 0.000 1.263 416 L HN -0.089 nan 8.230 nan 0.000 0.410 417 S N 1.236 116.925 115.700 -0.018 0.000 2.606 417 S HA 0.161 4.631 4.470 -0.000 0.000 0.257 417 S C 1.281 175.869 174.600 -0.020 0.000 1.327 417 S CA 0.030 58.219 58.200 -0.018 0.000 0.984 417 S CB 1.117 64.306 63.200 -0.018 0.000 0.941 417 S HN 0.785 nan 8.310 nan 0.000 0.576 418 G N -0.230 108.559 108.800 -0.019 0.000 2.448 418 G HA2 0.083 4.043 3.960 -0.000 0.000 0.218 418 G HA3 0.083 4.043 3.960 -0.000 0.000 0.218 418 G C 1.458 176.343 174.900 -0.025 0.000 1.135 418 G CA 0.825 45.912 45.100 -0.021 0.000 0.784 418 G HN 0.983 nan 8.290 nan 0.000 0.543 419 E N 1.085 121.270 120.200 -0.025 0.000 2.158 419 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 419 E C 2.051 178.627 176.600 -0.040 0.000 0.982 419 E CA 1.327 57.710 56.400 -0.029 0.000 0.823 419 E CB -0.508 29.176 29.700 -0.026 0.000 0.766 419 E HN 0.673 nan 8.360 nan 0.000 0.468 420 E N -0.097 120.079 120.200 -0.039 0.000 2.072 420 E HA 0.034 4.384 4.350 -0.000 0.000 0.190 420 E C 2.291 178.862 176.600 -0.048 0.000 0.982 420 E CA 0.801 57.172 56.400 -0.048 0.000 0.803 420 E CB -0.065 29.612 29.700 -0.038 0.000 0.755 420 E HN 0.451 nan 8.360 nan 0.000 0.453 421 L N 1.194 122.395 121.223 -0.037 0.000 2.141 421 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 421 L C 1.811 178.662 176.870 -0.032 0.000 1.094 421 L CA 0.783 55.604 54.840 -0.032 0.000 0.763 421 L CB -0.308 41.736 42.059 -0.026 0.000 0.908 421 L HN 0.067 nan 8.230 nan 0.000 0.437 422 D N -0.246 120.134 120.400 -0.034 0.000 2.144 422 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 422 D C 2.234 178.527 176.300 -0.012 0.000 0.984 422 D CA 0.945 54.929 54.000 -0.027 0.000 0.834 422 D CB -0.046 40.740 40.800 -0.024 0.000 0.955 422 D HN 0.185 nan 8.370 nan 0.000 0.465 423 R N 0.259 120.732 120.500 -0.046 0.000 2.062 423 R HA 0.020 4.360 4.340 -0.000 0.000 0.226 423 R C 2.400 178.676 176.300 -0.039 0.000 1.125 423 R CA 0.470 56.513 56.100 -0.094 0.000 0.966 423 R CB -0.298 29.855 30.300 -0.246 0.000 0.861 423 R HN 0.160 nan 8.270 nan 0.000 0.433 424 L N 0.803 121.997 121.223 -0.049 0.000 2.079 424 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 424 L C 1.773 178.633 176.870 -0.017 0.000 1.081 424 L CA 0.767 55.583 54.840 -0.040 0.000 0.752 424 L CB -0.206 41.819 42.059 -0.057 0.000 0.896 424 L HN 0.288 nan 8.230 nan 0.000 0.433 425 L N -0.295 120.933 121.223 0.008 0.000 2.645 425 L HA 0.089 4.429 4.340 -0.000 0.000 0.234 425 L C 0.070 176.985 176.870 0.075 0.000 1.165 425 L CA 0.456 55.321 54.840 0.042 0.000 0.944 425 L CB -0.956 41.137 42.059 0.057 0.000 1.149 425 L HN 0.147 nan 8.230 nan 0.000 0.446 426 D N -0.147 120.315 120.400 0.104 0.000 2.280 426 D HA 0.244 4.884 4.640 -0.000 0.000 0.236 426 D C -1.608 174.780 176.300 0.146 0.000 1.082 426 D CA -1.976 52.108 54.000 0.141 0.000 0.834 426 D CB 2.112 43.053 40.800 0.235 0.000 1.100 426 D HN -0.148 nan 8.370 nan 0.000 0.486 427 P HA -0.138 nan 4.420 nan 0.000 0.216 427 P C 0.974 178.315 177.300 0.067 0.000 1.153 427 P CA 1.426 64.587 63.100 0.103 0.000 0.858 427 P CB 0.112 31.857 31.700 0.073 0.000 0.789 428 A N -0.978 121.827 122.820 -0.025 0.000 2.131 428 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 428 A C 1.567 178.988 177.584 -0.272 0.000 1.158 428 A CA 1.462 53.401 52.037 -0.163 0.000 0.665 428 A CB -1.365 17.484 19.000 -0.251 0.000 0.795 428 A HN 0.310 nan 8.150 nan 0.000 0.460 429 H N -3.731 115.388 119.070 0.082 0.000 2.520 429 H HA 0.185 4.741 4.556 -0.000 0.000 0.284 429 H C -0.657 174.787 175.328 0.194 0.000 1.037 429 H CA 0.209 56.315 56.048 0.096 0.000 1.168 429 H CB 0.258 30.064 29.762 0.073 0.000 1.497 429 H HN 0.532 nan 8.280 nan 0.000 0.547 430 Y N 0.790 121.126 120.300 0.058 0.000 2.614 430 Y HA 0.166 4.716 4.550 -0.000 0.000 0.296 430 Y C 0.183 176.089 175.900 0.010 0.000 0.942 430 Y CA -0.495 57.630 58.100 0.040 0.000 1.111 430 Y CB -0.071 38.419 38.460 0.049 0.000 1.182 430 Y HN -0.040 nan 8.280 nan 0.000 0.624 431 L N 0.179 121.366 121.223 -0.061 0.000 2.592 431 L HA 0.349 4.689 4.340 -0.000 0.000 0.227 431 L C 1.705 178.463 176.870 -0.186 0.000 1.127 431 L CA 0.826 55.603 54.840 -0.106 0.000 0.884 431 L CB -0.762 41.253 42.059 -0.073 0.000 1.065 431 L HN 0.552 nan 8.230 nan 0.000 0.457 432 G N 0.053 108.699 108.800 -0.257 0.000 2.652 432 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.318 432 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.318 432 G C 0.794 175.506 174.900 -0.314 0.000 1.295 432 G CA 0.516 45.449 45.100 -0.278 0.000 0.999 432 G HN 0.298 nan 8.290 nan 0.000 0.548 433 Q N 0.998 120.516 119.800 -0.471 0.000 2.365 433 Q HA 0.414 4.754 4.340 -0.000 0.000 0.203 433 Q C 2.660 178.131 176.000 -0.881 0.000 0.929 433 Q CA 1.342 56.643 55.803 -0.837 0.000 0.948 433 Q CB -0.439 27.379 28.738 -1.532 0.000 1.043 433 Q HN 0.910 nan 8.270 nan 0.000 0.505 434 A N 1.769 124.319 122.820 -0.450 0.000 1.893 434 A HA -0.327 3.993 4.320 -0.000 0.000 0.222 434 A C 2.150 179.652 177.584 -0.137 0.000 1.309 434 A CA 2.094 54.020 52.037 -0.184 0.000 0.681 434 A CB -0.555 18.401 19.000 -0.073 0.000 0.842 434 A HN 0.350 nan 8.150 nan 0.000 0.468 435 R N -1.183 119.230 120.500 -0.146 0.000 2.152 435 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 435 R C 2.034 178.282 176.300 -0.086 0.000 1.117 435 R CA 1.270 57.320 56.100 -0.084 0.000 0.981 435 R CB -0.434 29.818 30.300 -0.079 0.000 0.870 435 R HN 0.461 nan 8.270 nan 0.000 0.451 436 V N -0.577 119.209 119.914 -0.214 0.000 2.307 436 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 436 V C 1.830 177.959 176.094 0.059 0.000 1.045 436 V CA 1.612 63.806 62.300 -0.175 0.000 1.024 436 V CB -0.519 31.061 31.823 -0.406 0.000 0.651 436 V HN 0.455 nan 8.190 nan 0.000 0.449 437 W N -0.241 121.051 121.300 -0.013 0.000 2.333 437 W HA -0.203 4.457 4.660 -0.000 0.000 0.316 437 W C 2.423 178.935 176.519 -0.013 0.000 1.215 437 W CA 0.703 58.039 57.345 -0.015 0.000 1.278 437 W CB -0.685 28.763 29.460 -0.020 0.000 1.154 437 W HN 0.035 nan 8.180 nan 0.000 0.486 438 V N 0.961 121.016 119.914 0.234 0.000 2.332 438 V HA -0.363 3.756 4.120 -0.000 0.000 0.248 438 V C 2.381 178.535 176.094 0.101 0.000 1.055 438 V CA 2.088 64.464 62.300 0.127 0.000 1.038 438 V CB -1.602 30.270 31.823 0.082 0.000 0.651 438 V HN 0.286 nan 8.190 nan 0.000 0.450 439 A N 0.273 123.148 122.820 0.092 0.000 1.865 439 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 439 A C 2.365 180.003 177.584 0.091 0.000 1.191 439 A CA 2.124 54.205 52.037 0.073 0.000 0.623 439 A CB -0.554 18.475 19.000 0.047 0.000 0.826 439 A HN 0.539 nan 8.150 nan 0.000 0.444 440 R N -0.450 120.127 120.500 0.127 0.000 2.091 440 R HA -0.102 4.238 4.340 -0.000 0.000 0.238 440 R C 2.490 178.845 176.300 0.091 0.000 1.136 440 R CA 1.288 57.460 56.100 0.120 0.000 0.959 440 R CB -0.579 29.825 30.300 0.173 0.000 0.856 440 R HN 0.521 nan 8.270 nan 0.000 0.437 441 A N 0.913 123.786 122.820 0.088 0.000 1.858 441 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 441 A C 2.432 180.059 177.584 0.071 0.000 1.190 441 A CA 1.550 53.617 52.037 0.050 0.000 0.617 441 A CB -0.690 18.325 19.000 0.024 0.000 0.827 441 A HN 0.119 nan 8.150 nan 0.000 0.443 442 V N -0.310 119.651 119.914 0.078 0.000 2.343 442 V HA -0.233 3.886 4.120 -0.000 0.000 0.247 442 V C 2.819 178.996 176.094 0.139 0.000 1.051 442 V CA 2.332 64.699 62.300 0.111 0.000 1.036 442 V CB -0.857 31.017 31.823 0.086 0.000 0.654 442 V HN 0.683 nan 8.190 nan 0.000 0.451 443 S N -0.519 115.239 115.700 0.096 0.000 2.359 443 S HA -0.321 4.149 4.470 -0.000 0.000 0.222 443 S C 2.097 176.746 174.600 0.081 0.000 1.038 443 S CA 2.293 60.539 58.200 0.077 0.000 1.051 443 S CB -0.373 62.865 63.200 0.064 0.000 0.944 443 S HN 0.701 nan 8.310 nan 0.000 0.433 444 E N -0.891 119.361 120.200 0.087 0.000 2.160 444 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 444 E C 1.913 178.589 176.600 0.128 0.000 0.991 444 E CA 1.430 57.884 56.400 0.090 0.000 0.810 444 E CB -0.203 29.537 29.700 0.067 0.000 0.742 444 E HN 0.786 nan 8.360 nan 0.000 0.466 445 H N 0.345 119.442 119.070 0.044 0.000 2.389 445 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 445 H C 1.832 177.223 175.328 0.105 0.000 1.081 445 H CA 2.036 58.115 56.048 0.052 0.000 1.345 445 H CB 0.112 29.880 29.762 0.010 0.000 1.393 445 H HN 0.172 nan 8.280 nan 0.000 0.520 446 Q N -0.268 119.466 119.800 -0.110 0.000 2.187 446 Q HA -0.037 4.303 4.340 -0.000 0.000 0.199 446 Q C 2.264 178.223 176.000 -0.068 0.000 0.957 446 Q CA 0.579 56.291 55.803 -0.152 0.000 0.857 446 Q CB 0.235 28.952 28.738 -0.035 0.000 0.929 446 Q HN 0.400 nan 8.270 nan 0.000 0.453 447 R N 0.419 120.920 120.500 0.001 0.000 2.070 447 R HA -0.120 4.220 4.340 -0.000 0.000 0.233 447 R C 2.086 178.393 176.300 0.012 0.000 1.137 447 R CA 1.076 57.184 56.100 0.013 0.000 0.945 447 R CB -0.962 29.363 30.300 0.042 0.000 0.845 447 R HN 0.252 nan 8.270 nan 0.000 0.430 448 F N 2.527 122.438 119.950 -0.065 0.000 2.063 448 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 448 F C 2.140 177.899 175.800 -0.068 0.000 1.109 448 F CA 2.213 60.182 58.000 -0.052 0.000 1.212 448 F CB -0.737 38.242 39.000 -0.034 0.000 0.973 448 F HN 0.022 nan 8.300 nan 0.000 0.480 449 T N 0.787 115.338 114.554 -0.005 0.000 2.684 449 T HA -0.343 4.007 4.350 -0.000 0.000 0.259 449 T C 1.127 175.705 174.700 -0.203 0.000 1.086 449 T CA 1.459 63.508 62.100 -0.084 0.000 1.155 449 T CB -1.204 67.605 68.868 -0.099 0.000 0.848 449 T HN 0.494 nan 8.240 nan 0.000 0.464 450 A N 0.000 122.704 122.820 -0.193 0.000 2.254 450 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 450 A CA 0.000 51.929 52.037 -0.180 0.000 0.836 450 A CB 0.000 18.933 19.000 -0.113 0.000 0.831 450 A HN 0.000 nan 8.150 nan 0.000 0.486