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 3gwz_1_D DATA FIRST_RESID 11 DATA SEQUENCE GTAARAAAEE TVNDILQGAW KARAIHVAVE LGVPELLQEG PRTATALAEA DATA SEQUENCE TGAHEQTLRR LLRLLATVGV FDDLGHDDLF AQNALSAVLL PDPASPVATD DATA SEQUENCE ARFQAAPWHW RAWEQLTHSV RTGEASFDVA NGTSFWQLTH EDPKARELFN DATA SEQUENCE RAXGSVSLTE AGQVAAAYDF SGAATAVDIG GGRGSLXAAV LDAFPGLRGT DATA SEQUENCE LLERPPVAEE ARELLTGRGL ADRCEILPGD FFETIPDGAD VYLIKHVLHD DATA SEQUENCE WDDDDVVRIL RRIATAXKPD SRLLVIDNLI DERPAASTLF VDLLLLVLVG DATA SEQUENCE GAERSESEFA ALLEKSGLRV ERSLPCGAGP VRIVEIRRA 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 11 G C 0.000 174.900 174.900 0.001 0.000 0.946 11 G CA 0.000 45.100 45.100 0.000 0.000 0.502 12 T N 1.385 115.940 114.554 0.001 0.000 2.737 12 T HA 0.131 4.481 4.350 -0.000 0.000 0.265 12 T C 2.606 177.307 174.700 0.001 0.000 1.038 12 T CA 2.750 64.850 62.100 0.001 0.000 1.144 12 T CB -0.489 68.380 68.868 0.002 0.000 0.866 12 T HN 0.651 nan 8.240 nan 0.000 0.434 13 A N 0.893 123.713 122.820 0.001 0.000 1.898 13 A HA 0.320 4.640 4.320 -0.000 0.000 0.216 13 A C 2.696 180.280 177.584 0.000 0.000 1.181 13 A CA 1.848 53.885 52.037 0.001 0.000 0.620 13 A CB -1.234 17.767 19.000 0.001 0.000 0.819 13 A HN 0.642 nan 8.150 nan 0.000 0.442 14 A N -0.137 122.683 122.820 -0.000 0.000 1.933 14 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 14 A C 2.244 179.828 177.584 -0.001 0.000 1.175 14 A CA 1.735 53.771 52.037 -0.001 0.000 0.628 14 A CB -0.487 18.513 19.000 -0.001 0.000 0.814 14 A HN 0.582 nan 8.150 nan 0.000 0.444 15 R N -0.275 120.224 120.500 -0.001 0.000 2.066 15 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 15 R C 2.263 178.562 176.300 -0.001 0.000 1.131 15 R CA 1.470 57.569 56.100 -0.001 0.000 0.955 15 R CB -0.464 29.836 30.300 -0.000 0.000 0.851 15 R HN 0.387 nan 8.270 nan 0.000 0.432 16 A N 0.809 123.628 122.820 -0.000 0.000 1.940 16 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 16 A C 2.353 179.935 177.584 -0.002 0.000 1.176 16 A CA 1.800 53.837 52.037 -0.000 0.000 0.631 16 A CB -0.744 18.257 19.000 0.001 0.000 0.814 16 A HN 0.582 nan 8.150 nan 0.000 0.446 17 A N -0.303 122.515 122.820 -0.003 0.000 1.897 17 A HA 0.240 4.560 4.320 -0.000 0.000 0.215 17 A C 2.509 180.089 177.584 -0.006 0.000 1.181 17 A CA 1.857 53.892 52.037 -0.004 0.000 0.620 17 A CB -0.997 18.001 19.000 -0.003 0.000 0.821 17 A HN 1.034 nan 8.150 nan 0.000 0.443 18 A N 0.072 122.889 122.820 -0.006 0.000 1.902 18 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 18 A C 1.890 179.468 177.584 -0.010 0.000 1.181 18 A CA 1.748 53.780 52.037 -0.007 0.000 0.623 18 A CB -0.596 18.400 19.000 -0.006 0.000 0.818 18 A HN 0.633 nan 8.150 nan 0.000 0.443 19 E N -0.849 119.346 120.200 -0.008 0.000 2.110 19 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 19 E C 2.036 178.627 176.600 -0.015 0.000 0.988 19 E CA 1.336 57.730 56.400 -0.010 0.000 0.804 19 E CB -0.089 29.608 29.700 -0.005 0.000 0.745 19 E HN 0.745 nan 8.360 nan 0.000 0.458 20 E N 0.450 120.643 120.200 -0.013 0.000 2.072 20 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 20 E C 1.940 178.525 176.600 -0.025 0.000 0.985 20 E CA 1.685 58.075 56.400 -0.016 0.000 0.801 20 E CB -0.201 29.493 29.700 -0.010 0.000 0.750 20 E HN 0.042 nan 8.360 nan 0.000 0.452 21 T N -0.056 114.485 114.554 -0.022 0.000 2.684 21 T HA -0.144 4.205 4.350 -0.000 0.000 0.267 21 T C 1.836 176.515 174.700 -0.036 0.000 1.036 21 T CA 1.608 63.693 62.100 -0.025 0.000 1.148 21 T CB -0.364 68.494 68.868 -0.017 0.000 0.863 21 T HN 0.030 nan 8.240 nan 0.000 0.436 22 V N 1.897 121.791 119.914 -0.034 0.000 2.358 22 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 22 V C 2.437 178.492 176.094 -0.066 0.000 1.047 22 V CA 1.632 63.906 62.300 -0.042 0.000 1.035 22 V CB -0.726 31.079 31.823 -0.030 0.000 0.658 22 V HN 0.425 nan 8.190 nan 0.000 0.452 23 N N 0.481 119.144 118.700 -0.061 0.000 2.149 23 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 23 N C 1.490 176.924 175.510 -0.127 0.000 1.019 23 N CA 1.546 54.544 53.050 -0.086 0.000 0.857 23 N CB -0.239 38.217 38.487 -0.052 0.000 0.997 23 N HN 0.430 nan 8.380 nan 0.000 0.426 24 D N -0.067 120.276 120.400 -0.095 0.000 2.144 24 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 24 D C 1.965 178.182 176.300 -0.139 0.000 0.984 24 D CA 0.674 54.611 54.000 -0.105 0.000 0.834 24 D CB -0.185 40.575 40.800 -0.066 0.000 0.955 24 D HN 0.396 nan 8.370 nan 0.000 0.465 25 I N 0.594 121.093 120.570 -0.119 0.000 2.142 25 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 25 I C 2.429 178.428 176.117 -0.197 0.000 1.078 25 I CA 0.754 61.980 61.300 -0.124 0.000 1.343 25 I CB -0.229 37.725 38.000 -0.077 0.000 1.046 25 I HN -0.012 nan 8.210 nan 0.000 0.405 26 L N 0.013 121.098 121.223 -0.230 0.000 2.012 26 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 26 L C 2.583 179.048 176.870 -0.675 0.000 1.073 26 L CA 1.621 56.251 54.840 -0.350 0.000 0.748 26 L CB -0.777 41.110 42.059 -0.287 0.000 0.891 26 L HN 0.333 nan 8.230 nan 0.000 0.431 27 Q N -0.220 119.177 119.800 -0.671 0.000 2.291 27 Q HA -0.106 4.234 4.340 -0.000 0.000 0.205 27 Q C 2.283 177.983 176.000 -0.500 0.000 0.970 27 Q CA 0.949 56.238 55.803 -0.856 0.000 0.876 27 Q CB -0.303 28.178 28.738 -0.427 0.000 0.935 27 Q HN 0.635 nan 8.270 nan 0.000 0.455 28 G N 1.071 109.672 108.800 -0.332 0.000 2.450 28 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 28 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 28 G C 1.470 176.272 174.900 -0.162 0.000 1.130 28 G CA 0.844 45.824 45.100 -0.200 0.000 0.760 28 G HN 0.424 nan 8.290 nan 0.000 0.557 29 A N 0.397 123.089 122.820 -0.213 0.000 1.902 29 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 29 A C 2.177 179.913 177.584 0.254 0.000 1.181 29 A CA 1.636 53.687 52.037 0.024 0.000 0.623 29 A CB -0.550 18.480 19.000 0.049 0.000 0.818 29 A HN 0.492 nan 8.150 nan 0.000 0.443 30 W N 0.067 121.399 121.300 0.054 0.000 2.476 30 W HA 0.065 4.724 4.660 -0.000 0.000 0.281 30 W C 2.112 178.586 176.519 -0.075 0.000 1.230 30 W CA 0.601 57.940 57.345 -0.010 0.000 1.287 30 W CB -0.892 28.564 29.460 -0.008 0.000 1.108 30 W HN 0.394 nan 8.180 nan 0.000 0.567 31 K N 0.832 121.296 120.400 0.106 0.000 2.032 31 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 31 K C 2.204 178.746 176.600 -0.096 0.000 1.048 31 K CA 2.025 58.312 56.287 -0.001 0.000 0.927 31 K CB -0.308 32.170 32.500 -0.038 0.000 0.712 31 K HN -0.046 nan 8.250 nan 0.000 0.441 32 A N 1.364 124.107 122.820 -0.128 0.000 1.865 32 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 32 A C 2.143 179.345 177.584 -0.635 0.000 1.191 32 A CA 1.906 53.755 52.037 -0.315 0.000 0.623 32 A CB -0.608 18.292 19.000 -0.167 0.000 0.826 32 A HN 0.303 nan 8.150 nan 0.000 0.444 33 R N -0.150 120.119 120.500 -0.385 0.000 2.096 33 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 33 R C 2.198 178.319 176.300 -0.298 0.000 1.127 33 R CA 1.692 57.520 56.100 -0.455 0.000 0.968 33 R CB -0.782 29.214 30.300 -0.506 0.000 0.861 33 R HN 0.455 nan 8.270 nan 0.000 0.440 34 A N 0.246 122.953 122.820 -0.187 0.000 1.902 34 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 34 A C 2.233 179.759 177.584 -0.097 0.000 1.181 34 A CA 1.592 53.564 52.037 -0.109 0.000 0.623 34 A CB -0.572 18.401 19.000 -0.046 0.000 0.818 34 A HN 0.356 nan 8.150 nan 0.000 0.443 35 I N -1.156 119.320 120.570 -0.156 0.000 2.226 35 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 35 I C 2.372 178.463 176.117 -0.044 0.000 1.100 35 I CA 1.641 62.877 61.300 -0.107 0.000 1.374 35 I CB -0.625 37.280 38.000 -0.158 0.000 1.057 35 I HN 0.501 nan 8.210 nan 0.000 0.413 36 H N -0.428 118.591 119.070 -0.085 0.000 2.353 36 H HA -0.180 4.376 4.556 -0.000 0.000 0.298 36 H C 2.331 177.599 175.328 -0.101 0.000 1.103 36 H CA 1.484 57.464 56.048 -0.112 0.000 1.293 36 H CB -0.084 29.569 29.762 -0.180 0.000 1.372 36 H HN 0.141 nan 8.280 nan 0.000 0.501 37 V N 0.780 120.697 119.914 0.004 0.000 2.379 37 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 37 V C 2.668 178.756 176.094 -0.011 0.000 1.044 37 V CA 1.379 63.659 62.300 -0.033 0.000 1.036 37 V CB -0.837 30.941 31.823 -0.075 0.000 0.664 37 V HN 0.546 nan 8.190 nan 0.000 0.453 38 A N -0.051 122.776 122.820 0.012 0.000 1.908 38 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 38 A C 2.389 180.016 177.584 0.071 0.000 1.181 38 A CA 2.283 54.355 52.037 0.057 0.000 0.627 38 A CB -0.681 18.428 19.000 0.181 0.000 0.818 38 A HN 0.345 nan 8.150 nan 0.000 0.445 39 V N -0.225 119.728 119.914 0.064 0.000 2.379 39 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 39 V C 2.493 178.609 176.094 0.035 0.000 1.044 39 V CA 2.106 64.440 62.300 0.057 0.000 1.036 39 V CB -0.636 31.221 31.823 0.057 0.000 0.664 39 V HN 0.784 nan 8.190 nan 0.000 0.453 40 E N 0.131 120.343 120.200 0.019 0.000 2.118 40 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 40 E C 2.144 178.746 176.600 0.002 0.000 0.992 40 E CA 1.325 57.726 56.400 0.002 0.000 0.804 40 E CB -0.092 29.595 29.700 -0.022 0.000 0.741 40 E HN 0.564 nan 8.360 nan 0.000 0.458 41 L N -0.712 120.509 121.223 -0.003 0.000 2.313 41 L HA 0.078 4.418 4.340 -0.000 0.000 0.214 41 L C 1.415 178.284 176.870 -0.002 0.000 1.119 41 L CA 0.596 55.429 54.840 -0.011 0.000 0.809 41 L CB 0.016 42.057 42.059 -0.030 0.000 0.933 41 L HN 0.459 nan 8.230 nan 0.000 0.449 42 G N -0.618 108.191 108.800 0.015 0.000 2.165 42 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.226 42 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.226 42 G C 0.581 175.496 174.900 0.026 0.000 1.035 42 G CA 0.190 45.306 45.100 0.025 0.000 0.744 42 G HN 0.071 nan 8.290 nan 0.000 0.501 43 V N 0.448 120.381 119.914 0.031 0.000 2.307 43 V HA -0.110 4.010 4.120 -0.000 0.000 0.245 43 V C 0.846 176.997 176.094 0.095 0.000 1.045 43 V CA 2.534 64.835 62.300 0.002 0.000 1.024 43 V CB -0.979 30.779 31.823 -0.108 0.000 0.651 43 V HN 0.397 nan 8.190 nan 0.000 0.449 44 P HA -0.160 nan 4.420 nan 0.000 0.216 44 P C 1.442 178.820 177.300 0.130 0.000 1.150 44 P CA 1.360 64.612 63.100 0.254 0.000 0.843 44 P CB -0.026 31.776 31.700 0.170 0.000 0.787 45 E N -0.455 119.794 120.200 0.082 0.000 2.118 45 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 45 E C 1.785 178.412 176.600 0.045 0.000 0.992 45 E CA 0.914 57.346 56.400 0.054 0.000 0.804 45 E CB -0.966 28.757 29.700 0.039 0.000 0.741 45 E HN 0.263 nan 8.360 nan 0.000 0.458 46 L N 0.044 121.290 121.223 0.038 0.000 2.551 46 L HA 0.001 4.341 4.340 -0.000 0.000 0.228 46 L C 1.357 178.244 176.870 0.028 0.000 1.153 46 L CA 0.413 55.265 54.840 0.020 0.000 0.851 46 L CB -0.036 42.020 42.059 -0.005 0.000 0.959 46 L HN 0.152 nan 8.230 nan 0.000 0.451 47 L N -1.057 120.200 121.223 0.057 0.000 2.857 47 L HA 0.106 4.446 4.340 -0.000 0.000 0.249 47 L C 1.769 178.681 176.870 0.070 0.000 1.172 47 L CA -0.020 54.863 54.840 0.072 0.000 0.980 47 L CB 0.237 42.370 42.059 0.125 0.000 1.299 47 L HN 0.239 nan 8.230 nan 0.000 0.535 48 Q N 0.169 120.002 119.800 0.055 0.000 2.369 48 Q HA -0.063 4.277 4.340 -0.000 0.000 0.206 48 Q C 0.689 176.710 176.000 0.035 0.000 0.963 48 Q CA 0.723 56.553 55.803 0.045 0.000 0.894 48 Q CB 0.372 29.132 28.738 0.037 0.000 0.965 48 Q HN 0.355 nan 8.270 nan 0.000 0.475 49 E N 0.051 120.271 120.200 0.032 0.000 2.496 49 E HA 0.242 4.592 4.350 -0.000 0.000 0.200 49 E C 0.363 176.979 176.600 0.026 0.000 1.016 49 E CA 0.164 56.579 56.400 0.026 0.000 0.962 49 E CB 0.912 30.624 29.700 0.020 0.000 1.071 49 E HN 0.328 nan 8.360 nan 0.000 0.457 50 G N 1.990 110.810 108.800 0.033 0.000 2.525 50 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.685 50 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.685 50 G C -2.920 172.000 174.900 0.034 0.000 1.290 50 G CA -1.237 43.883 45.100 0.033 0.000 0.915 50 G HN -0.052 nan 8.290 nan 0.000 0.548 51 P HA 0.468 nan 4.420 nan 0.000 0.268 51 P C -0.217 177.091 177.300 0.012 0.000 1.205 51 P CA -0.007 63.106 63.100 0.021 0.000 0.771 51 P CB 0.583 32.277 31.700 -0.010 0.000 0.858 52 R N 0.413 120.926 120.500 0.021 0.000 2.808 52 R HA 0.486 4.826 4.340 -0.000 0.000 0.272 52 R C -0.193 176.129 176.300 0.037 0.000 0.995 52 R CA -0.642 55.467 56.100 0.015 0.000 0.917 52 R CB 1.198 31.502 30.300 0.007 0.000 1.217 52 R HN 0.459 nan 8.270 nan 0.000 0.471 53 T N -1.740 112.827 114.554 0.023 0.000 2.899 53 T HA 0.286 4.636 4.350 -0.000 0.000 0.295 53 T C 1.468 176.206 174.700 0.063 0.000 1.033 53 T CA -0.021 62.109 62.100 0.049 0.000 1.084 53 T CB 1.286 70.161 68.868 0.012 0.000 0.979 53 T HN 0.569 nan 8.240 nan 0.000 0.532 54 A N 2.286 125.182 122.820 0.127 0.000 1.908 54 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 54 A C 2.485 180.041 177.584 -0.046 0.000 1.181 54 A CA 2.210 54.247 52.037 -0.000 0.000 0.627 54 A CB -1.793 17.229 19.000 0.036 0.000 0.818 54 A HN 0.943 nan 8.150 nan 0.000 0.445 55 T N 0.390 114.931 114.554 -0.022 0.000 2.635 55 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 55 T C 2.225 176.899 174.700 -0.043 0.000 1.040 55 T CA 2.038 64.113 62.100 -0.042 0.000 1.156 55 T CB -0.553 68.297 68.868 -0.030 0.000 0.863 55 T HN 0.641 nan 8.240 nan 0.000 0.430 56 A N 0.949 123.751 122.820 -0.030 0.000 1.898 56 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 56 A C 2.339 179.898 177.584 -0.041 0.000 1.181 56 A CA 1.133 53.153 52.037 -0.029 0.000 0.620 56 A CB -0.829 18.160 19.000 -0.018 0.000 0.819 56 A HN 0.482 nan 8.150 nan 0.000 0.442 57 L N -0.773 120.417 121.223 -0.056 0.000 2.083 57 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 57 L C 3.074 179.893 176.870 -0.086 0.000 1.083 57 L CA 1.048 55.838 54.840 -0.083 0.000 0.752 57 L CB -0.541 41.435 42.059 -0.139 0.000 0.899 57 L HN 0.443 nan 8.230 nan 0.000 0.433 58 A N -0.552 122.215 122.820 -0.088 0.000 1.898 58 A HA -0.218 4.101 4.320 -0.000 0.000 0.216 58 A C 2.340 179.890 177.584 -0.057 0.000 1.181 58 A CA 1.543 53.531 52.037 -0.082 0.000 0.620 58 A CB -0.463 18.480 19.000 -0.096 0.000 0.819 58 A HN 0.372 nan 8.150 nan 0.000 0.442 59 E N 0.363 120.533 120.200 -0.050 0.000 2.077 59 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 59 E C 2.114 178.697 176.600 -0.029 0.000 0.989 59 E CA 1.331 57.710 56.400 -0.036 0.000 0.800 59 E CB -0.265 29.417 29.700 -0.031 0.000 0.746 59 E HN 0.475 nan 8.360 nan 0.000 0.452 60 A N 0.238 123.039 122.820 -0.031 0.000 2.014 60 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 60 A C 2.192 179.762 177.584 -0.023 0.000 1.163 60 A CA 1.895 53.918 52.037 -0.024 0.000 0.652 60 A CB -0.465 18.521 19.000 -0.023 0.000 0.808 60 A HN 0.411 nan 8.150 nan 0.000 0.449 61 T N -5.100 109.434 114.554 -0.032 0.000 3.040 61 T HA 0.410 4.760 4.350 -0.000 0.000 0.250 61 T C 1.308 175.994 174.700 -0.023 0.000 1.058 61 T CA 1.033 63.115 62.100 -0.029 0.000 0.988 61 T CB 0.175 69.016 68.868 -0.044 0.000 0.993 61 T HN 1.611 nan 8.240 nan 0.000 0.519 62 G N 1.328 110.115 108.800 -0.022 0.000 2.147 62 G HA2 0.016 3.976 3.960 -0.000 0.000 0.244 62 G HA3 0.016 3.976 3.960 -0.000 0.000 0.244 62 G C 0.200 175.094 174.900 -0.010 0.000 1.005 62 G CA -0.089 45.003 45.100 -0.014 0.000 0.713 62 G HN 1.148 nan 8.290 nan 0.000 0.515 63 A N -0.221 122.587 122.820 -0.021 0.000 2.279 63 A HA 0.676 4.996 4.320 -0.000 0.000 0.303 63 A C 0.450 178.044 177.584 0.016 0.000 1.108 63 A CA -0.279 51.752 52.037 -0.009 0.000 0.830 63 A CB 0.445 19.420 19.000 -0.041 0.000 1.106 63 A HN 0.777 nan 8.150 nan 0.000 0.493 64 H N 1.018 120.055 119.070 -0.055 0.000 2.899 64 H HA 0.022 4.578 4.556 -0.000 0.000 0.303 64 H C 1.020 176.315 175.328 -0.055 0.000 1.042 64 H CA 0.821 56.839 56.048 -0.049 0.000 1.479 64 H CB 0.698 30.431 29.762 -0.048 0.000 1.493 64 H HN 0.990 nan 8.280 nan 0.000 0.534 65 E N 3.617 123.573 120.200 -0.407 0.000 2.049 65 E HA -0.295 4.055 4.350 -0.000 0.000 0.198 65 E C 1.894 178.344 176.600 -0.250 0.000 1.007 65 E CA 1.489 57.721 56.400 -0.280 0.000 0.809 65 E CB 0.039 29.595 29.700 -0.239 0.000 0.749 65 E HN 0.853 nan 8.360 nan 0.000 0.450 66 Q N -0.383 119.196 119.800 -0.369 0.000 2.124 66 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 66 Q C 1.873 177.863 176.000 -0.017 0.000 0.977 66 Q CA 2.073 57.795 55.803 -0.136 0.000 0.850 66 Q CB 0.007 28.707 28.738 -0.063 0.000 0.901 66 Q HN 0.273 nan 8.270 nan 0.000 0.429 67 T N 1.294 115.904 114.554 0.092 0.000 2.896 67 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 67 T C 1.694 176.381 174.700 -0.022 0.000 1.050 67 T CA 0.844 62.999 62.100 0.090 0.000 1.140 67 T CB -0.166 68.803 68.868 0.167 0.000 0.877 67 T HN 0.208 nan 8.240 nan 0.000 0.457 68 L N 1.604 122.791 121.223 -0.059 0.000 2.083 68 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 68 L C 2.510 179.259 176.870 -0.201 0.000 1.083 68 L CA 1.662 56.419 54.840 -0.137 0.000 0.752 68 L CB -0.526 41.441 42.059 -0.153 0.000 0.899 68 L HN 0.070 nan 8.230 nan 0.000 0.433 69 R N -0.638 119.771 120.500 -0.151 0.000 2.083 69 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 69 R C 2.425 178.672 176.300 -0.087 0.000 1.137 69 R CA 1.769 57.794 56.100 -0.125 0.000 0.951 69 R CB -0.191 30.098 30.300 -0.018 0.000 0.851 69 R HN 0.318 nan 8.270 nan 0.000 0.434 70 R N 0.147 120.618 120.500 -0.049 0.000 2.083 70 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 70 R C 2.397 178.665 176.300 -0.052 0.000 1.137 70 R CA 1.681 57.766 56.100 -0.025 0.000 0.951 70 R CB -0.564 29.726 30.300 -0.017 0.000 0.851 70 R HN 0.209 nan 8.270 nan 0.000 0.434 71 L N 0.856 122.022 121.223 -0.095 0.000 2.017 71 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 71 L C 1.999 178.789 176.870 -0.134 0.000 1.073 71 L CA 1.657 56.437 54.840 -0.101 0.000 0.745 71 L CB -0.230 41.758 42.059 -0.118 0.000 0.894 71 L HN 0.157 nan 8.230 nan 0.000 0.432 72 L N -0.998 120.043 121.223 -0.304 0.000 2.093 72 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 72 L C 2.756 179.522 176.870 -0.173 0.000 1.085 72 L CA 1.299 55.839 54.840 -0.499 0.000 0.755 72 L CB -0.609 40.654 42.059 -1.327 0.000 0.904 72 L HN 0.312 nan 8.230 nan 0.000 0.435 73 R N 0.618 121.110 120.500 -0.013 0.000 2.081 73 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 73 R C 2.368 178.753 176.300 0.141 0.000 1.131 73 R CA 1.663 57.904 56.100 0.235 0.000 0.960 73 R CB -0.273 30.140 30.300 0.188 0.000 0.856 73 R HN 0.222 nan 8.270 nan 0.000 0.436 74 L N 1.078 122.344 121.223 0.072 0.000 2.017 74 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 74 L C 2.057 178.975 176.870 0.080 0.000 1.073 74 L CA 1.629 56.510 54.840 0.067 0.000 0.745 74 L CB -0.458 41.629 42.059 0.046 0.000 0.894 74 L HN 0.234 nan 8.230 nan 0.000 0.432 75 L N -0.341 120.933 121.223 0.086 0.000 2.046 75 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 75 L C 2.716 179.675 176.870 0.147 0.000 1.077 75 L CA 1.273 56.184 54.840 0.119 0.000 0.747 75 L CB -0.904 41.274 42.059 0.198 0.000 0.896 75 L HN 0.428 nan 8.230 nan 0.000 0.432 76 A N 0.036 122.979 122.820 0.205 0.000 1.940 76 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 76 A C 2.394 180.053 177.584 0.123 0.000 1.176 76 A CA 2.311 54.473 52.037 0.209 0.000 0.631 76 A CB -1.055 18.125 19.000 0.300 0.000 0.814 76 A HN 0.547 nan 8.150 nan 0.000 0.446 77 T N -1.915 112.701 114.554 0.104 0.000 3.007 77 T HA -0.020 4.330 4.350 -0.000 0.000 0.270 77 T C 1.138 175.867 174.700 0.048 0.000 1.107 77 T CA 1.408 63.549 62.100 0.068 0.000 1.118 77 T CB -0.687 68.218 68.868 0.061 0.000 0.889 77 T HN 0.891 nan 8.240 nan 0.000 0.506 78 V N -2.563 117.379 119.914 0.047 0.000 3.177 78 V HA 0.775 4.895 4.120 -0.000 0.000 0.342 78 V C 1.470 177.571 176.094 0.011 0.000 1.379 78 V CA -0.158 62.155 62.300 0.022 0.000 1.191 78 V CB -0.786 31.043 31.823 0.011 0.000 1.167 78 V HN 0.655 nan 8.190 nan 0.000 0.471 79 G N 0.079 108.895 108.800 0.027 0.000 2.175 79 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 79 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 79 G C 0.004 174.897 174.900 -0.012 0.000 0.982 79 G CA -0.006 45.101 45.100 0.011 0.000 0.641 79 G HN 0.950 nan 8.290 nan 0.000 0.527 80 V N 1.404 121.314 119.914 -0.007 0.000 2.347 80 V HA 0.734 4.854 4.120 -0.000 0.000 0.280 80 V C 0.621 176.712 176.094 -0.004 0.000 1.021 80 V CA -0.197 62.035 62.300 -0.114 0.000 0.847 80 V CB -0.269 31.467 31.823 -0.146 0.000 0.990 80 V HN 0.718 nan 8.190 nan 0.000 0.444 81 F N 1.675 121.643 119.950 0.031 0.000 2.182 81 F HA -0.174 4.353 4.527 -0.000 0.000 0.320 81 F C 0.100 175.955 175.800 0.090 0.000 1.254 81 F CA 0.279 58.319 58.000 0.066 0.000 0.920 81 F CB -0.128 38.922 39.000 0.083 0.000 4.124 81 F HN 0.600 nan 8.300 nan 0.000 0.152 82 D N 1.217 121.810 120.400 0.320 0.000 2.308 82 D HA 0.259 4.899 4.640 -0.000 0.000 0.242 82 D C -1.243 175.148 176.300 0.152 0.000 1.059 82 D CA -0.409 53.701 54.000 0.183 0.000 0.830 82 D CB 1.195 42.056 40.800 0.101 0.000 1.161 82 D HN 0.460 nan 8.370 nan 0.000 0.494 83 D N 3.963 124.396 120.400 0.055 0.000 2.347 83 D HA 0.093 4.733 4.640 -0.000 0.000 0.235 83 D C 1.105 177.251 176.300 -0.257 0.000 1.149 83 D CA -0.305 53.545 54.000 -0.251 0.000 0.850 83 D CB 0.946 41.677 40.800 -0.116 0.000 1.061 83 D HN 0.421 nan 8.370 nan 0.000 0.487 84 L N 3.128 124.125 121.223 -0.377 0.000 2.376 84 L HA 0.089 4.429 4.340 -0.000 0.000 0.219 84 L C 1.775 178.543 176.870 -0.171 0.000 1.133 84 L CA 0.701 55.393 54.840 -0.248 0.000 0.816 84 L CB -0.360 41.476 42.059 -0.372 0.000 0.933 84 L HN 0.756 nan 8.230 nan 0.000 0.449 85 G N 0.655 109.305 108.800 -0.250 0.000 2.148 85 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 85 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 85 G C 0.110 174.996 174.900 -0.023 0.000 0.981 85 G CA 0.642 45.673 45.100 -0.114 0.000 0.670 85 G HN 0.727 nan 8.290 nan 0.000 0.528 86 H N -3.335 115.654 119.070 -0.135 0.000 3.046 86 H HA 0.590 5.146 4.556 -0.000 0.000 0.363 86 H C 0.143 175.410 175.328 -0.101 0.000 1.203 86 H CA -0.399 55.592 56.048 -0.096 0.000 1.169 86 H CB 1.072 30.793 29.762 -0.068 0.000 1.851 86 H HN -0.028 nan 8.280 nan 0.000 0.546 87 D N 1.520 121.916 120.400 -0.007 0.000 2.911 87 D HA -0.213 4.427 4.640 -0.000 0.000 0.227 87 D C -0.103 176.133 176.300 -0.107 0.000 1.164 87 D CA 1.708 55.691 54.000 -0.028 0.000 0.782 87 D CB -0.824 40.007 40.800 0.052 0.000 1.094 87 D HN 0.960 nan 8.370 nan 0.000 0.425 88 D N -1.074 119.243 120.400 -0.139 0.000 3.059 88 D HA -0.216 4.424 4.640 -0.000 0.000 0.220 88 D C -0.107 176.089 176.300 -0.173 0.000 1.169 88 D CA 0.693 54.626 54.000 -0.111 0.000 0.902 88 D CB -0.963 39.830 40.800 -0.013 0.000 1.116 88 D HN 0.520 nan 8.370 nan 0.000 0.417 89 L N -0.024 120.988 121.223 -0.353 0.000 2.371 89 L HA 0.467 4.807 4.340 -0.000 0.000 0.272 89 L C 0.435 176.981 176.870 -0.539 0.000 1.124 89 L CA -0.311 54.336 54.840 -0.321 0.000 0.816 89 L CB 0.588 42.432 42.059 -0.359 0.000 1.129 89 L HN -0.112 nan 8.230 nan 0.000 0.448 90 F N 1.171 121.046 119.950 -0.125 0.000 2.563 90 F HA 0.746 5.273 4.527 -0.000 0.000 0.316 90 F C 0.214 175.980 175.800 -0.056 0.000 1.076 90 F CA -0.562 57.377 58.000 -0.100 0.000 0.921 90 F CB 2.004 40.904 39.000 -0.167 0.000 1.209 90 F HN 0.429 nan 8.300 nan 0.000 0.462 91 A N 1.663 124.591 122.820 0.180 0.000 2.423 91 A HA 0.691 5.011 4.320 -0.000 0.000 0.304 91 A C -1.111 176.626 177.584 0.254 0.000 1.104 91 A CA -0.837 51.292 52.037 0.153 0.000 0.757 91 A CB 1.522 20.571 19.000 0.082 0.000 1.313 91 A HN 0.663 nan 8.150 nan 0.000 0.423 92 Q N 0.856 120.782 119.800 0.211 0.000 2.364 92 Q HA 0.328 4.668 4.340 -0.000 0.000 0.267 92 Q C 0.104 176.174 176.000 0.117 0.000 0.999 92 Q CA 0.508 56.433 55.803 0.203 0.000 0.886 92 Q CB 0.451 29.265 28.738 0.127 0.000 1.243 92 Q HN 0.890 nan 8.270 nan 0.000 0.415 93 N N 1.319 120.052 118.700 0.056 0.000 3.167 93 N HA 0.429 5.169 4.740 -0.000 0.000 0.323 93 N C -0.237 175.255 175.510 -0.030 0.000 1.478 93 N CA -0.087 52.972 53.050 0.015 0.000 0.753 93 N CB 0.024 38.524 38.487 0.023 0.000 1.721 93 N HN 0.431 nan 8.380 nan 0.000 0.618 94 A N 0.004 122.807 122.820 -0.028 0.000 1.902 94 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 94 A C 2.106 179.650 177.584 -0.066 0.000 1.181 94 A CA 1.346 53.362 52.037 -0.035 0.000 0.623 94 A CB -1.058 17.928 19.000 -0.023 0.000 0.818 94 A HN 0.562 nan 8.150 nan 0.000 0.443 95 L N 0.182 121.349 121.223 -0.093 0.000 2.072 95 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 95 L C 3.004 179.749 176.870 -0.208 0.000 1.079 95 L CA 1.544 56.306 54.840 -0.129 0.000 0.752 95 L CB -0.658 41.324 42.059 -0.128 0.000 0.906 95 L HN 0.608 nan 8.230 nan 0.000 0.436 96 S N 0.457 115.965 115.700 -0.320 0.000 2.402 96 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 96 S C 2.178 176.635 174.600 -0.239 0.000 1.021 96 S CA 0.765 58.655 58.200 -0.516 0.000 0.974 96 S CB -0.341 62.216 63.200 -1.072 0.000 0.800 96 S HN 0.323 nan 8.310 nan 0.000 0.484 97 A N 1.494 124.239 122.820 -0.126 0.000 1.978 97 A HA 0.049 4.369 4.320 -0.000 0.000 0.220 97 A C 2.333 179.889 177.584 -0.047 0.000 1.170 97 A CA 1.567 53.574 52.037 -0.052 0.000 0.636 97 A CB -1.155 17.830 19.000 -0.025 0.000 0.810 97 A HN 0.484 nan 8.150 nan 0.000 0.448 98 V N -0.039 119.836 119.914 -0.065 0.000 2.568 98 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 98 V C 2.106 178.177 176.094 -0.039 0.000 1.072 98 V CA 1.804 64.076 62.300 -0.046 0.000 1.084 98 V CB -0.657 31.134 31.823 -0.054 0.000 0.676 98 V HN 0.599 nan 8.190 nan 0.000 0.469 99 L N -0.753 120.434 121.223 -0.059 0.000 2.591 99 L HA 0.187 4.527 4.340 -0.000 0.000 0.228 99 L C 0.711 177.581 176.870 0.000 0.000 1.133 99 L CA -0.015 54.805 54.840 -0.033 0.000 0.880 99 L CB -0.310 41.712 42.059 -0.061 0.000 1.033 99 L HN 0.222 nan 8.230 nan 0.000 0.450 100 L N 1.732 122.957 121.223 0.003 0.000 2.514 100 L HA 0.065 4.405 4.340 -0.000 0.000 0.280 100 L C -1.871 175.013 176.870 0.023 0.000 1.223 100 L CA -1.569 53.283 54.840 0.021 0.000 0.864 100 L CB -0.045 42.026 42.059 0.020 0.000 1.118 100 L HN -0.147 nan 8.230 nan 0.000 0.494 101 P HA 0.088 nan 4.420 nan 0.000 0.269 101 P C -1.212 176.103 177.300 0.025 0.000 1.263 101 P CA 0.035 63.153 63.100 0.029 0.000 0.813 101 P CB 0.463 32.182 31.700 0.032 0.000 0.868 102 D N 4.515 124.928 120.400 0.023 0.000 2.602 102 D HA 0.243 4.883 4.640 -0.000 0.000 0.245 102 D C -2.030 174.281 176.300 0.019 0.000 1.325 102 D CA -2.429 51.582 54.000 0.019 0.000 0.952 102 D CB 1.582 42.392 40.800 0.016 0.000 1.317 102 D HN -0.040 nan 8.370 nan 0.000 0.577 103 P HA -0.043 nan 4.420 nan 0.000 0.222 103 P C 0.719 178.025 177.300 0.010 0.000 1.142 103 P CA 0.831 63.939 63.100 0.013 0.000 0.788 103 P CB 0.347 32.054 31.700 0.011 0.000 0.767 104 A N -1.539 121.289 122.820 0.013 0.000 2.238 104 A HA 0.119 4.439 4.320 -0.000 0.000 0.210 104 A C 1.280 178.873 177.584 0.016 0.000 1.179 104 A CA 0.265 52.309 52.037 0.013 0.000 0.827 104 A CB -0.414 18.594 19.000 0.014 0.000 0.856 104 A HN 0.170 nan 8.150 nan 0.000 0.488 105 S N 0.475 116.185 115.700 0.016 0.000 2.410 105 S HA 0.425 4.895 4.470 -0.000 0.000 0.304 105 S C -1.715 172.899 174.600 0.023 0.000 1.095 105 S CA -1.627 56.584 58.200 0.018 0.000 1.089 105 S CB 0.913 64.123 63.200 0.017 0.000 0.968 105 S HN 0.094 nan 8.310 nan 0.000 0.480 106 P HA -0.119 nan 4.420 nan 0.000 0.214 106 P C 1.524 178.849 177.300 0.042 0.000 1.163 106 P CA 0.851 63.971 63.100 0.033 0.000 0.883 106 P CB 0.043 31.765 31.700 0.036 0.000 0.788 107 V N 0.060 119.994 119.914 0.033 0.000 2.343 107 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 107 V C 2.489 178.604 176.094 0.035 0.000 1.051 107 V CA 2.267 64.586 62.300 0.032 0.000 1.036 107 V CB -1.805 30.025 31.823 0.012 0.000 0.654 107 V HN 0.099 nan 8.190 nan 0.000 0.451 108 A N 0.839 123.676 122.820 0.028 0.000 1.898 108 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 108 A C 2.495 180.108 177.584 0.049 0.000 1.181 108 A CA 2.412 54.467 52.037 0.031 0.000 0.620 108 A CB -0.935 18.078 19.000 0.022 0.000 0.819 108 A HN 0.634 nan 8.150 nan 0.000 0.442 109 T N -2.805 111.780 114.554 0.052 0.000 2.904 109 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 109 T C 1.571 176.340 174.700 0.115 0.000 1.059 109 T CA 1.507 63.646 62.100 0.066 0.000 1.137 109 T CB -0.330 68.561 68.868 0.037 0.000 0.879 109 T HN 0.315 nan 8.240 nan 0.000 0.467 110 D N 1.918 122.390 120.400 0.120 0.000 2.117 110 D HA 0.079 4.719 4.640 -0.000 0.000 0.198 110 D C 2.396 178.779 176.300 0.139 0.000 0.982 110 D CA 1.286 55.403 54.000 0.194 0.000 0.828 110 D CB -0.578 40.319 40.800 0.161 0.000 0.967 110 D HN 0.475 nan 8.370 nan 0.000 0.464 111 A N 0.531 123.404 122.820 0.089 0.000 1.908 111 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 111 A C 2.287 179.880 177.584 0.016 0.000 1.181 111 A CA 1.476 53.560 52.037 0.080 0.000 0.627 111 A CB -0.495 18.561 19.000 0.093 0.000 0.818 111 A HN 0.194 nan 8.150 nan 0.000 0.445 112 R N -2.172 118.358 120.500 0.051 0.000 2.115 112 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 112 R C 1.942 178.265 176.300 0.039 0.000 1.111 112 R CA 1.351 57.474 56.100 0.037 0.000 0.976 112 R CB -0.382 29.963 30.300 0.076 0.000 0.870 112 R HN 0.597 nan 8.270 nan 0.000 0.445 113 F N 1.957 121.862 119.950 -0.076 0.000 2.113 113 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 113 F C 1.865 177.457 175.800 -0.346 0.000 1.103 113 F CA 1.524 59.492 58.000 -0.053 0.000 1.248 113 F CB -0.218 38.850 39.000 0.113 0.000 0.999 113 F HN -0.077 nan 8.300 nan 0.000 0.475 114 Q N -0.065 119.334 119.800 -0.668 0.000 2.291 114 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 114 Q C 2.348 177.707 176.000 -1.069 0.000 0.970 114 Q CA 0.975 56.026 55.803 -1.253 0.000 0.876 114 Q CB -0.392 27.767 28.738 -0.965 0.000 0.935 114 Q HN 0.508 nan 8.270 nan 0.000 0.455 115 A N 1.535 123.895 122.820 -0.767 0.000 1.972 115 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 115 A C 1.307 178.636 177.584 -0.426 0.000 1.169 115 A CA 0.748 52.479 52.037 -0.510 0.000 0.635 115 A CB -0.599 18.267 19.000 -0.223 0.000 0.810 115 A HN 0.361 nan 8.150 nan 0.000 0.446 116 A N 0.592 123.092 122.820 -0.534 0.000 2.567 116 A HA 0.331 4.651 4.320 -0.000 0.000 0.240 116 A C -0.543 176.682 177.584 -0.598 0.000 1.053 116 A CA -0.263 51.351 52.037 -0.704 0.000 0.755 116 A CB -0.005 18.131 19.000 -1.440 0.000 0.978 116 A HN 0.339 nan 8.150 nan 0.000 0.507 117 P HA -0.154 nan 4.420 nan 0.000 0.218 117 P C 1.373 178.654 177.300 -0.033 0.000 1.149 117 P CA 1.617 64.639 63.100 -0.130 0.000 0.817 117 P CB -0.196 31.482 31.700 -0.036 0.000 0.785 118 W N -0.657 120.684 121.300 0.068 0.000 2.519 118 W HA -0.050 4.610 4.660 -0.000 0.000 0.266 118 W C 1.878 178.399 176.519 0.004 0.000 1.253 118 W CA 0.253 57.580 57.345 -0.029 0.000 1.274 118 W CB -2.004 27.440 29.460 -0.026 0.000 1.114 118 W HN 0.096 nan 8.180 nan 0.000 0.596 119 H N 0.133 119.092 119.070 -0.185 0.000 2.307 119 H HA -0.181 4.375 4.556 -0.000 0.000 0.303 119 H C 2.099 177.517 175.328 0.150 0.000 1.073 119 H CA 1.962 57.979 56.048 -0.053 0.000 1.338 119 H CB -1.162 28.263 29.762 -0.562 0.000 1.389 119 H HN 0.168 nan 8.280 nan 0.000 0.503 120 W N 2.524 123.910 121.300 0.143 0.000 2.342 120 W HA -0.193 4.467 4.660 -0.000 0.000 0.297 120 W C 2.551 179.171 176.519 0.168 0.000 1.213 120 W CA 1.581 59.038 57.345 0.186 0.000 1.251 120 W CB -0.259 29.224 29.460 0.039 0.000 1.136 120 W HN 0.241 nan 8.180 nan 0.000 0.526 121 R N 0.640 121.280 120.500 0.234 0.000 2.115 121 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 121 R C 2.430 178.691 176.300 -0.065 0.000 1.111 121 R CA 1.573 57.720 56.100 0.078 0.000 0.976 121 R CB -0.564 29.756 30.300 0.034 0.000 0.870 121 R HN 0.070 nan 8.270 nan 0.000 0.445 122 A N 0.077 122.820 122.820 -0.128 0.000 1.940 122 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 122 A C 1.645 179.061 177.584 -0.280 0.000 1.176 122 A CA 1.297 53.186 52.037 -0.246 0.000 0.631 122 A CB -0.915 17.954 19.000 -0.217 0.000 0.814 122 A HN 0.582 nan 8.150 nan 0.000 0.446 123 W N -0.035 121.149 121.300 -0.194 0.000 2.465 123 W HA -0.008 4.652 4.660 -0.000 0.000 0.268 123 W C 2.121 178.503 176.519 -0.229 0.000 1.242 123 W CA 0.918 58.120 57.345 -0.238 0.000 1.248 123 W CB -0.029 29.206 29.460 -0.375 0.000 1.118 123 W HN 0.549 nan 8.180 nan 0.000 0.587 124 E N 0.264 120.442 120.200 -0.037 0.000 2.130 124 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 124 E C 1.329 177.920 176.600 -0.016 0.000 0.998 124 E CA 1.143 57.527 56.400 -0.028 0.000 0.806 124 E CB 0.000 29.697 29.700 -0.005 0.000 0.738 124 E HN 0.179 nan 8.360 nan 0.000 0.459 125 Q N 0.273 120.045 119.800 -0.047 0.000 2.201 125 Q HA 0.048 4.388 4.340 -0.000 0.000 0.236 125 Q C 1.462 177.452 176.000 -0.017 0.000 0.857 125 Q CA -0.173 55.613 55.803 -0.029 0.000 1.025 125 Q CB 0.678 29.378 28.738 -0.063 0.000 1.124 125 Q HN 0.270 nan 8.270 nan 0.000 0.473 126 L N 0.768 121.971 121.223 -0.034 0.000 2.129 126 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 126 L C 1.793 178.657 176.870 -0.009 0.000 1.087 126 L CA 2.000 56.813 54.840 -0.046 0.000 0.757 126 L CB -0.675 41.412 42.059 0.046 0.000 0.896 126 L HN 0.121 nan 8.230 nan 0.000 0.434 127 T N -1.872 112.694 114.554 0.020 0.000 2.759 127 T HA -0.268 4.082 4.350 -0.000 0.000 0.269 127 T C 1.723 176.434 174.700 0.019 0.000 1.042 127 T CA 1.645 63.756 62.100 0.019 0.000 1.140 127 T CB -0.461 68.424 68.868 0.028 0.000 0.864 127 T HN 0.648 nan 8.240 nan 0.000 0.455 128 H N 1.093 120.137 119.070 -0.044 0.000 2.352 128 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 128 H C 2.351 177.647 175.328 -0.054 0.000 1.097 128 H CA 1.885 57.906 56.048 -0.045 0.000 1.311 128 H CB -0.319 29.414 29.762 -0.049 0.000 1.377 128 H HN 0.178 nan 8.280 nan 0.000 0.504 129 S N -0.757 114.888 115.700 -0.090 0.000 2.368 129 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 129 S C 2.303 176.810 174.600 -0.156 0.000 1.030 129 S CA 1.155 59.264 58.200 -0.151 0.000 0.999 129 S CB -0.262 62.866 63.200 -0.120 0.000 0.844 129 S HN 0.291 nan 8.310 nan 0.000 0.459 130 V N 1.540 121.390 119.914 -0.107 0.000 2.626 130 V HA -0.065 4.055 4.120 -0.000 0.000 0.252 130 V C 2.271 178.307 176.094 -0.096 0.000 1.067 130 V CA 1.429 63.679 62.300 -0.083 0.000 1.081 130 V CB -0.576 31.220 31.823 -0.046 0.000 0.686 130 V HN 0.343 nan 8.190 nan 0.000 0.468 131 R N 0.150 120.574 120.500 -0.126 0.000 2.193 131 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 131 R C 2.144 178.346 176.300 -0.164 0.000 1.055 131 R CA 1.640 57.666 56.100 -0.125 0.000 0.995 131 R CB -0.065 30.171 30.300 -0.107 0.000 0.893 131 R HN 0.721 nan 8.270 nan 0.000 0.459 132 T N -5.964 108.441 114.554 -0.249 0.000 2.969 132 T HA 0.221 4.571 4.350 -0.000 0.000 0.258 132 T C 1.328 175.931 174.700 -0.162 0.000 0.962 132 T CA 0.447 62.404 62.100 -0.238 0.000 0.903 132 T CB 1.200 69.820 68.868 -0.413 0.000 1.177 132 T HN 0.242 nan 8.240 nan 0.000 0.511 133 G N 1.504 110.213 108.800 -0.153 0.000 2.179 133 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 133 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 133 G C -0.149 174.699 174.900 -0.086 0.000 0.977 133 G CA 0.294 45.333 45.100 -0.101 0.000 0.641 133 G HN 0.630 nan 8.290 nan 0.000 0.533 134 E N 0.100 120.234 120.200 -0.109 0.000 2.232 134 E HA 0.677 5.027 4.350 -0.000 0.000 0.265 134 E C 0.744 177.338 176.600 -0.009 0.000 1.001 134 E CA -0.024 56.358 56.400 -0.030 0.000 0.870 134 E CB 1.237 30.964 29.700 0.044 0.000 1.175 134 E HN 0.768 nan 8.360 nan 0.000 0.407 135 A N 0.890 123.710 122.820 0.000 0.000 2.498 135 A HA 0.082 4.401 4.320 -0.000 0.000 0.239 135 A C 1.138 178.750 177.584 0.047 0.000 1.068 135 A CA 0.516 52.532 52.037 -0.035 0.000 0.766 135 A CB -0.002 18.957 19.000 -0.069 0.000 1.003 135 A HN 0.611 nan 8.150 nan 0.000 0.497 136 S N 1.817 117.501 115.700 -0.027 0.000 2.501 136 S HA -0.063 4.407 4.470 -0.000 0.000 0.220 136 S C 1.486 176.052 174.600 -0.056 0.000 0.997 136 S CA 0.760 58.946 58.200 -0.023 0.000 0.919 136 S CB -0.561 62.574 63.200 -0.110 0.000 0.778 136 S HN 0.732 nan 8.310 nan 0.000 0.523 137 F N 3.404 123.240 119.950 -0.190 0.000 2.091 137 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 137 F C 1.548 177.290 175.800 -0.098 0.000 1.103 137 F CA 2.178 60.090 58.000 -0.148 0.000 1.228 137 F CB -0.412 38.491 39.000 -0.161 0.000 0.984 137 F HN 0.151 nan 8.300 nan 0.000 0.477 138 D N -0.274 120.237 120.400 0.184 0.000 2.117 138 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 138 D C 2.366 178.640 176.300 -0.044 0.000 0.987 138 D CA 1.590 55.651 54.000 0.103 0.000 0.829 138 D CB -0.564 40.280 40.800 0.072 0.000 0.961 138 D HN 0.205 nan 8.370 nan 0.000 0.460 139 V N 0.855 120.694 119.914 -0.125 0.000 2.343 139 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 139 V C 2.340 178.339 176.094 -0.157 0.000 1.051 139 V CA 1.840 64.019 62.300 -0.202 0.000 1.036 139 V CB -0.759 30.827 31.823 -0.394 0.000 0.654 139 V HN 0.251 nan 8.190 nan 0.000 0.451 140 A N -0.090 122.629 122.820 -0.168 0.000 1.898 140 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 140 A C 1.995 179.481 177.584 -0.164 0.000 1.183 140 A CA 1.458 53.400 52.037 -0.159 0.000 0.622 140 A CB -0.358 18.533 19.000 -0.182 0.000 0.824 140 A HN 0.558 nan 8.150 nan 0.000 0.444 141 N N -1.357 117.200 118.700 -0.238 0.000 2.325 141 N HA 0.122 4.862 4.740 -0.000 0.000 0.182 141 N C 1.141 176.591 175.510 -0.099 0.000 1.088 141 N CA 1.018 53.934 53.050 -0.224 0.000 0.879 141 N CB 0.638 38.824 38.487 -0.501 0.000 0.983 141 N HN 0.598 nan 8.380 nan 0.000 0.471 142 G N 0.516 109.275 108.800 -0.069 0.000 2.162 142 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 142 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 142 G C 0.211 175.114 174.900 0.005 0.000 0.976 142 G CA 0.999 46.082 45.100 -0.029 0.000 0.655 142 G HN 0.531 nan 8.290 nan 0.000 0.533 143 T N -0.927 113.653 114.554 0.043 0.000 2.802 143 T HA 0.646 4.996 4.350 -0.000 0.000 0.311 143 T C 0.297 175.118 174.700 0.201 0.000 1.405 143 T CA 0.872 63.024 62.100 0.087 0.000 1.016 143 T CB 1.224 70.130 68.868 0.063 0.000 1.352 143 T HN 1.401 nan 8.240 nan 0.000 0.498 144 S N 1.531 117.306 115.700 0.125 0.000 2.632 144 S HA 0.418 4.888 4.470 -0.000 0.000 0.267 144 S C 1.119 175.617 174.600 -0.170 0.000 1.276 144 S CA -0.543 57.693 58.200 0.061 0.000 0.998 144 S CB 0.484 63.703 63.200 0.031 0.000 0.953 144 S HN 0.662 nan 8.310 nan 0.000 0.547 145 F N 0.622 120.005 119.950 -0.944 0.000 2.134 145 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 145 F C 1.645 176.949 175.800 -0.828 0.000 1.097 145 F CA 1.238 58.364 58.000 -1.456 0.000 1.264 145 F CB -0.422 37.476 39.000 -1.837 0.000 1.001 145 F HN 0.729 nan 8.300 nan 0.000 0.479 146 W N 0.022 121.162 121.300 -0.267 0.000 2.358 146 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 146 W C 2.593 179.004 176.519 -0.180 0.000 1.208 146 W CA 0.748 57.972 57.345 -0.201 0.000 1.274 146 W CB -0.714 28.742 29.460 -0.007 0.000 1.138 146 W HN 0.061 nan 8.180 nan 0.000 0.515 147 Q N 0.957 120.793 119.800 0.060 0.000 2.079 147 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 147 Q C 2.069 178.056 176.000 -0.023 0.000 0.974 147 Q CA 1.633 57.459 55.803 0.039 0.000 0.840 147 Q CB -0.795 27.962 28.738 0.031 0.000 0.898 147 Q HN 0.311 nan 8.270 nan 0.000 0.430 148 L N 0.225 121.353 121.223 -0.158 0.000 2.012 148 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 148 L C 2.124 178.807 176.870 -0.312 0.000 1.073 148 L CA 2.691 57.380 54.840 -0.251 0.000 0.748 148 L CB -1.182 40.659 42.059 -0.364 0.000 0.891 148 L HN 0.508 nan 8.230 nan 0.000 0.431 149 T N -4.165 110.129 114.554 -0.434 0.000 3.035 149 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 149 T C 1.982 176.634 174.700 -0.080 0.000 1.109 149 T CA 1.095 62.999 62.100 -0.326 0.000 1.119 149 T CB -0.804 67.784 68.868 -0.466 0.000 0.900 149 T HN 0.593 nan 8.240 nan 0.000 0.503 150 H N 1.592 120.610 119.070 -0.086 0.000 2.395 150 H HA 0.079 4.635 4.556 -0.000 0.000 0.299 150 H C 1.726 177.035 175.328 -0.032 0.000 1.070 150 H CA 1.640 57.673 56.048 -0.025 0.000 1.356 150 H CB 0.109 29.871 29.762 -0.000 0.000 1.401 150 H HN 0.570 nan 8.280 nan 0.000 0.524 151 E N -0.240 119.952 120.200 -0.013 0.000 2.190 151 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 151 E C 0.104 176.656 176.600 -0.080 0.000 0.978 151 E CA 0.139 56.517 56.400 -0.037 0.000 0.839 151 E CB 0.525 30.258 29.700 0.054 0.000 0.787 151 E HN 0.202 nan 8.360 nan 0.000 0.473 152 D N 0.650 120.997 120.400 -0.088 0.000 2.454 152 D HA 0.073 4.713 4.640 -0.000 0.000 0.225 152 D C -1.829 174.445 176.300 -0.044 0.000 1.081 152 D CA -2.511 51.450 54.000 -0.064 0.000 0.864 152 D CB 1.400 42.146 40.800 -0.089 0.000 1.040 152 D HN -0.135 nan 8.370 nan 0.000 0.517 153 P HA -0.057 nan 4.420 nan 0.000 0.225 153 P C 0.863 178.197 177.300 0.056 0.000 1.156 153 P CA 0.660 63.763 63.100 0.005 0.000 0.787 153 P CB 0.668 32.366 31.700 -0.003 0.000 0.802 154 K N 0.210 120.655 120.400 0.075 0.000 2.062 154 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 154 K C 2.341 179.071 176.600 0.215 0.000 1.051 154 K CA 1.329 57.695 56.287 0.132 0.000 0.941 154 K CB -0.585 31.996 32.500 0.135 0.000 0.719 154 K HN 0.006 nan 8.250 nan 0.000 0.440 155 A N 1.826 124.765 122.820 0.197 0.000 1.898 155 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 155 A C 2.155 179.887 177.584 0.247 0.000 1.181 155 A CA 1.426 53.633 52.037 0.283 0.000 0.620 155 A CB -0.465 18.412 19.000 -0.205 0.000 0.819 155 A HN 0.211 nan 8.150 nan 0.000 0.442 156 R N -0.260 120.304 120.500 0.107 0.000 2.096 156 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 156 R C 2.187 178.626 176.300 0.231 0.000 1.127 156 R CA 1.773 57.971 56.100 0.163 0.000 0.968 156 R CB -0.268 30.087 30.300 0.092 0.000 0.861 156 R HN 0.729 nan 8.270 nan 0.000 0.440 157 E N 0.326 120.633 120.200 0.180 0.000 2.110 157 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 157 E C 1.976 178.684 176.600 0.181 0.000 0.988 157 E CA 1.148 57.636 56.400 0.147 0.000 0.804 157 E CB -0.027 29.743 29.700 0.118 0.000 0.745 157 E HN 0.397 nan 8.360 nan 0.000 0.458 158 L N 0.132 121.535 121.223 0.299 0.000 2.046 158 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 158 L C 2.514 179.546 176.870 0.271 0.000 1.077 158 L CA 1.075 56.133 54.840 0.362 0.000 0.747 158 L CB -0.560 41.849 42.059 0.584 0.000 0.896 158 L HN 0.246 nan 8.230 nan 0.000 0.432 159 F N 1.371 121.410 119.950 0.149 0.000 2.102 159 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 159 F C 2.167 177.897 175.800 -0.117 0.000 1.105 159 F CA 1.745 59.635 58.000 -0.182 0.000 1.239 159 F CB -0.708 38.369 39.000 0.128 0.000 0.991 159 F HN 0.106 nan 8.300 nan 0.000 0.474 160 N N 0.069 118.659 118.700 -0.183 0.000 2.037 160 N HA -0.254 4.486 4.740 -0.000 0.000 0.196 160 N C 1.944 177.336 175.510 -0.196 0.000 1.034 160 N CA 1.701 54.607 53.050 -0.240 0.000 0.861 160 N CB -0.230 38.228 38.487 -0.048 0.000 1.039 160 N HN 0.316 nan 8.380 nan 0.000 0.427 161 R N 0.941 121.386 120.500 -0.090 0.000 2.096 161 R HA 0.028 4.368 4.340 -0.000 0.000 0.235 161 R C 1.151 177.398 176.300 -0.088 0.000 1.127 161 R CA 0.625 56.692 56.100 -0.055 0.000 0.968 161 R CB -0.226 30.080 30.300 0.010 0.000 0.861 161 R HN 0.183 nan 8.270 nan 0.000 0.440 165 S N 0.540 116.222 115.700 -0.029 0.000 2.419 165 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 165 S C 2.207 176.813 174.600 0.011 0.000 1.019 165 S CA 2.055 60.252 58.200 -0.004 0.000 0.982 165 S CB -0.028 63.173 63.200 0.001 0.000 0.789 165 S HN 1.078 nan 8.310 nan 0.000 0.490 166 V N 0.659 120.581 119.914 0.013 0.000 2.690 166 V HA 0.092 4.212 4.120 -0.000 0.000 0.240 166 V C 2.151 178.277 176.094 0.053 0.000 1.078 166 V CA 1.490 63.813 62.300 0.038 0.000 1.102 166 V CB -0.473 31.378 31.823 0.048 0.000 0.800 166 V HN 0.501 nan 8.190 nan 0.000 0.479 167 S N 0.873 116.604 115.700 0.052 0.000 2.420 167 S HA -0.169 4.300 4.470 -0.000 0.000 0.237 167 S C 1.736 176.362 174.600 0.043 0.000 1.023 167 S CA 1.966 60.206 58.200 0.067 0.000 0.991 167 S CB -0.500 62.735 63.200 0.059 0.000 0.792 167 S HN 0.491 nan 8.310 nan 0.000 0.488 168 L N 1.529 122.768 121.223 0.028 0.000 2.093 168 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 168 L C 2.264 179.152 176.870 0.030 0.000 1.085 168 L CA 1.790 56.644 54.840 0.023 0.000 0.755 168 L CB -1.290 40.778 42.059 0.015 0.000 0.904 168 L HN 0.207 nan 8.230 nan 0.000 0.435 169 T N -1.126 113.451 114.554 0.037 0.000 2.851 169 T HA -0.099 4.251 4.350 -0.000 0.000 0.262 169 T C 1.687 176.417 174.700 0.050 0.000 1.043 169 T CA 1.080 63.204 62.100 0.041 0.000 1.140 169 T CB -0.039 68.854 68.868 0.042 0.000 0.872 169 T HN 0.378 nan 8.240 nan 0.000 0.446 170 E N 1.063 121.299 120.200 0.060 0.000 2.160 170 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 170 E C 2.487 179.118 176.600 0.051 0.000 0.991 170 E CA 0.917 57.355 56.400 0.063 0.000 0.810 170 E CB -0.167 29.584 29.700 0.085 0.000 0.742 170 E HN 0.460 nan 8.360 nan 0.000 0.466 171 A N 1.115 123.962 122.820 0.044 0.000 1.865 171 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 171 A C 2.471 180.088 177.584 0.054 0.000 1.191 171 A CA 1.839 53.898 52.037 0.038 0.000 0.623 171 A CB -1.246 17.769 19.000 0.025 0.000 0.826 171 A HN 0.379 nan 8.150 nan 0.000 0.444 172 G N -1.148 107.682 108.800 0.051 0.000 2.432 172 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 172 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 172 G C 1.597 176.544 174.900 0.079 0.000 1.135 172 G CA 1.034 46.169 45.100 0.059 0.000 0.767 172 G HN 0.657 nan 8.290 nan 0.000 0.550 173 Q N -0.376 119.468 119.800 0.073 0.000 2.079 173 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 173 Q C 2.835 178.900 176.000 0.108 0.000 0.974 173 Q CA 1.185 57.035 55.803 0.079 0.000 0.840 173 Q CB -0.151 28.626 28.738 0.065 0.000 0.898 173 Q HN 0.385 nan 8.270 nan 0.000 0.430 174 V N 0.838 120.820 119.914 0.114 0.000 2.358 174 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 174 V C 2.193 178.465 176.094 0.297 0.000 1.047 174 V CA 1.741 64.137 62.300 0.161 0.000 1.035 174 V CB -0.844 31.051 31.823 0.120 0.000 0.658 174 V HN 0.385 nan 8.190 nan 0.000 0.452 175 A N -0.267 122.721 122.820 0.280 0.000 2.019 175 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 175 A C 2.218 180.052 177.584 0.416 0.000 1.164 175 A CA 1.810 54.097 52.037 0.416 0.000 0.644 175 A CB -0.427 18.729 19.000 0.259 0.000 0.805 175 A HN 0.575 nan 8.150 nan 0.000 0.449 176 A N -1.345 121.621 122.820 0.244 0.000 2.195 176 A HA 0.564 4.883 4.320 -0.000 0.000 0.210 176 A C 2.005 179.685 177.584 0.160 0.000 1.165 176 A CA 1.080 53.222 52.037 0.175 0.000 0.806 176 A CB -0.275 18.785 19.000 0.100 0.000 0.847 176 A HN 0.849 nan 8.150 nan 0.000 0.482 177 A N -2.078 120.849 122.820 0.178 0.000 2.169 177 A HA 0.444 4.764 4.320 -0.000 0.000 0.210 177 A C 0.319 177.976 177.584 0.122 0.000 1.168 177 A CA 0.264 52.377 52.037 0.125 0.000 0.813 177 A CB -0.070 18.995 19.000 0.107 0.000 0.861 177 A HN 0.478 nan 8.150 nan 0.000 0.481 178 Y N -0.091 120.193 120.300 -0.027 0.000 2.425 178 Y HA 0.515 5.065 4.550 -0.000 0.000 0.344 178 Y C -1.395 174.300 175.900 -0.342 0.000 0.969 178 Y CA -1.620 56.311 58.100 -0.281 0.000 1.052 178 Y CB 1.484 39.618 38.460 -0.545 0.000 1.215 178 Y HN 0.078 nan 8.280 nan 0.000 0.451 179 D N 4.852 124.775 120.400 -0.795 0.000 2.380 179 D HA 0.142 4.782 4.640 -0.000 0.000 0.230 179 D C -0.407 175.485 176.300 -0.679 0.000 1.154 179 D CA 0.116 53.862 54.000 -0.422 0.000 0.859 179 D CB 0.081 40.716 40.800 -0.275 0.000 1.045 179 D HN 0.512 nan 8.370 nan 0.000 0.495 180 F N 1.365 120.904 119.950 -0.686 0.000 2.732 180 F HA 0.065 4.592 4.527 -0.000 0.000 0.303 180 F C 2.350 177.861 175.800 -0.481 0.000 1.110 180 F CA -0.208 57.331 58.000 -0.769 0.000 1.355 180 F CB 0.100 38.280 39.000 -1.367 0.000 1.081 180 F HN 0.264 nan 8.300 nan 0.000 0.565 181 S N 0.212 115.932 115.700 0.032 0.000 2.420 181 S HA -0.188 4.282 4.470 -0.000 0.000 0.237 181 S C 2.362 177.022 174.600 0.100 0.000 1.023 181 S CA 1.395 59.737 58.200 0.237 0.000 0.991 181 S CB -0.585 62.751 63.200 0.226 0.000 0.792 181 S HN 0.560 nan 8.310 nan 0.000 0.488 182 G N 0.146 108.959 108.800 0.022 0.000 3.042 182 G HA2 0.472 4.432 3.960 -0.000 0.000 0.212 182 G HA3 0.472 4.432 3.960 -0.000 0.000 0.212 182 G C 0.186 175.098 174.900 0.020 0.000 1.166 182 G CA 0.296 45.404 45.100 0.014 0.000 0.767 182 G HN 0.576 nan 8.290 nan 0.000 0.546 183 A N -0.061 122.777 122.820 0.030 0.000 2.309 183 A HA 0.753 5.072 4.320 -0.000 0.000 0.298 183 A C 1.239 178.834 177.584 0.018 0.000 1.165 183 A CA 0.281 52.335 52.037 0.028 0.000 0.821 183 A CB 1.376 20.410 19.000 0.057 0.000 1.102 183 A HN 0.484 nan 8.150 nan 0.000 0.500 184 A N 1.801 124.622 122.820 0.002 0.000 1.943 184 A HA 0.375 4.695 4.320 -0.000 0.000 0.213 184 A C 1.192 178.759 177.584 -0.028 0.000 1.181 184 A CA 1.652 53.687 52.037 -0.005 0.000 0.653 184 A CB -0.258 18.739 19.000 -0.005 0.000 0.833 184 A HN 1.364 nan 8.150 nan 0.000 0.451 185 T N -3.167 111.355 114.554 -0.054 0.000 2.893 185 T HA 0.746 5.096 4.350 -0.000 0.000 0.293 185 T C -0.709 173.900 174.700 -0.152 0.000 1.027 185 T CA -0.075 61.968 62.100 -0.095 0.000 0.988 185 T CB 1.711 70.521 68.868 -0.097 0.000 1.043 185 T HN 0.983 nan 8.240 nan 0.000 0.461 186 A N 1.806 124.517 122.820 -0.182 0.000 2.435 186 A HA 0.847 5.167 4.320 -0.000 0.000 0.304 186 A C -1.068 176.361 177.584 -0.258 0.000 1.064 186 A CA -0.870 51.022 52.037 -0.241 0.000 0.727 186 A CB 1.962 20.828 19.000 -0.224 0.000 1.284 186 A HN 0.959 nan 8.150 nan 0.000 0.415 187 V N 1.910 121.630 119.914 -0.324 0.000 2.525 187 V HA 0.372 4.492 4.120 -0.000 0.000 0.299 187 V C -1.220 174.819 176.094 -0.090 0.000 1.034 187 V CA -0.534 61.643 62.300 -0.205 0.000 0.863 187 V CB 1.856 33.539 31.823 -0.233 0.000 0.999 187 V HN 0.921 nan 8.190 nan 0.000 0.423 188 D N 4.545 124.916 120.400 -0.049 0.000 2.373 188 D HA 0.431 5.071 4.640 -0.000 0.000 0.227 188 D C -0.296 176.022 176.300 0.030 0.000 1.091 188 D CA -0.190 53.799 54.000 -0.018 0.000 0.840 188 D CB 1.017 41.797 40.800 -0.033 0.000 1.060 188 D HN 0.432 nan 8.370 nan 0.000 0.502 189 I N 2.854 123.451 120.570 0.045 0.000 2.337 189 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 189 I C 1.408 177.597 176.117 0.119 0.000 1.046 189 I CA -0.362 60.984 61.300 0.077 0.000 1.324 189 I CB 1.170 39.170 38.000 -0.000 0.000 1.409 189 I HN 0.649 nan 8.210 nan 0.000 0.494 190 G N 4.477 113.411 108.800 0.224 0.000 2.295 190 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.287 190 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.287 190 G C 0.815 175.809 174.900 0.156 0.000 1.055 190 G CA 0.197 45.452 45.100 0.258 0.000 0.922 190 G HN 1.016 nan 8.290 nan 0.000 0.503 191 G N -0.466 108.391 108.800 0.096 0.000 3.155 191 G HA2 0.524 4.484 3.960 -0.000 0.000 0.213 191 G HA3 0.524 4.484 3.960 -0.000 0.000 0.213 191 G C 1.614 176.554 174.900 0.066 0.000 1.196 191 G CA 1.319 46.456 45.100 0.063 0.000 0.846 191 G HN 2.058 nan 8.290 nan 0.000 0.516 192 G N 0.719 109.575 108.800 0.095 0.000 2.566 192 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 192 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 192 G C 0.900 175.832 174.900 0.053 0.000 1.225 192 G CA 0.240 45.392 45.100 0.088 0.000 0.966 192 G HN 0.493 nan 8.290 nan 0.000 0.560 193 R N 1.665 122.184 120.500 0.031 0.000 2.328 193 R HA 0.367 4.707 4.340 -0.000 0.000 0.200 193 R C 1.895 178.202 176.300 0.012 0.000 0.983 193 R CA 1.155 57.266 56.100 0.019 0.000 1.062 193 R CB -0.241 30.063 30.300 0.007 0.000 0.956 193 R HN 2.033 nan 8.270 nan 0.000 0.479 194 G N -0.185 108.623 108.800 0.013 0.000 2.141 194 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.231 194 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.231 194 G C 0.847 175.744 174.900 -0.004 0.000 0.984 194 G CA 0.369 45.470 45.100 0.002 0.000 0.660 194 G HN 0.324 nan 8.290 nan 0.000 0.525 195 S N -0.800 114.900 115.700 0.001 0.000 2.370 195 S HA 0.007 4.476 4.470 -0.000 0.000 0.226 195 S C 1.579 176.177 174.600 -0.004 0.000 1.033 195 S CA 1.292 59.492 58.200 0.001 0.000 1.011 195 S CB -0.119 63.086 63.200 0.008 0.000 0.852 195 S HN 0.916 nan 8.310 nan 0.000 0.457 199 A N 0.317 123.130 122.820 -0.011 0.000 1.902 199 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 199 A C 2.050 179.648 177.584 0.023 0.000 1.181 199 A CA 2.312 54.354 52.037 0.008 0.000 0.623 199 A CB -0.882 18.132 19.000 0.023 0.000 0.818 199 A HN 0.889 nan 8.150 nan 0.000 0.443 200 V N 0.062 119.961 119.914 -0.024 0.000 2.358 200 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 200 V C 2.547 178.672 176.094 0.051 0.000 1.047 200 V CA 1.839 64.110 62.300 -0.048 0.000 1.035 200 V CB -0.752 30.816 31.823 -0.426 0.000 0.658 200 V HN 0.562 nan 8.190 nan 0.000 0.452 201 L N -0.275 120.936 121.223 -0.020 0.000 2.083 201 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 201 L C 2.385 179.271 176.870 0.026 0.000 1.083 201 L CA 1.456 56.301 54.840 0.008 0.000 0.752 201 L CB -0.758 41.287 42.059 -0.023 0.000 0.899 201 L HN 0.331 nan 8.230 nan 0.000 0.433 202 D N 0.411 120.815 120.400 0.006 0.000 2.104 202 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 202 D C 2.177 178.444 176.300 -0.055 0.000 0.994 202 D CA 1.662 55.652 54.000 -0.016 0.000 0.830 202 D CB 0.005 40.794 40.800 -0.018 0.000 0.959 202 D HN 0.318 nan 8.370 nan 0.000 0.452 203 A N -0.650 122.129 122.820 -0.068 0.000 2.119 203 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 203 A C 0.416 177.595 177.584 -0.676 0.000 1.152 203 A CA 0.447 52.291 52.037 -0.322 0.000 0.708 203 A CB -0.146 18.681 19.000 -0.288 0.000 0.805 203 A HN 0.137 nan 8.150 nan 0.000 0.460 204 F N -1.192 118.757 119.950 -0.002 0.000 2.686 204 F HA 0.355 4.882 4.527 -0.000 0.000 0.365 204 F C -2.107 173.687 175.800 -0.009 0.000 1.196 204 F CA -1.938 56.069 58.000 0.011 0.000 1.198 204 F CB 1.521 40.540 39.000 0.031 0.000 1.454 204 F HN -0.020 nan 8.300 nan 0.000 0.539 205 P HA -0.110 nan 4.420 nan 0.000 0.221 205 P C 1.707 179.039 177.300 0.053 0.000 1.145 205 P CA 1.101 64.224 63.100 0.039 0.000 0.795 205 P CB 0.327 32.031 31.700 0.007 0.000 0.775 206 G N -1.424 107.425 108.800 0.082 0.000 2.813 206 G HA2 0.047 4.007 3.960 -0.000 0.000 0.209 206 G HA3 0.047 4.007 3.960 -0.000 0.000 0.209 206 G C 0.297 175.229 174.900 0.053 0.000 1.150 206 G CA -0.037 45.100 45.100 0.063 0.000 0.785 206 G HN 0.205 nan 8.290 nan 0.000 0.535 207 L N 0.847 122.110 121.223 0.067 0.000 2.375 207 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 207 L C -0.054 176.812 176.870 -0.006 0.000 1.107 207 L CA -0.789 54.066 54.840 0.025 0.000 0.806 207 L CB 1.024 43.094 42.059 0.019 0.000 1.146 207 L HN -0.015 nan 8.230 nan 0.000 0.447 208 R N 3.121 123.603 120.500 -0.030 0.000 2.599 208 R HA 0.702 5.042 4.340 -0.000 0.000 0.295 208 R C -0.467 175.793 176.300 -0.066 0.000 0.963 208 R CA -0.706 55.371 56.100 -0.039 0.000 0.883 208 R CB 1.779 32.061 30.300 -0.030 0.000 1.171 208 R HN 0.883 nan 8.270 nan 0.000 0.450 209 G N 0.335 109.095 108.800 -0.067 0.000 2.568 209 G HA2 0.574 4.534 3.960 -0.000 0.000 0.313 209 G HA3 0.574 4.534 3.960 -0.000 0.000 0.313 209 G C -0.982 173.877 174.900 -0.068 0.000 1.227 209 G CA -0.345 44.703 45.100 -0.087 0.000 0.979 209 G HN 0.355 nan 8.290 nan 0.000 0.486 210 T N 0.355 114.865 114.554 -0.074 0.000 2.928 210 T HA 0.405 4.755 4.350 -0.000 0.000 0.296 210 T C -0.909 173.768 174.700 -0.037 0.000 1.000 210 T CA -0.271 61.801 62.100 -0.047 0.000 0.989 210 T CB 1.527 70.369 68.868 -0.042 0.000 1.005 210 T HN 0.456 nan 8.240 nan 0.000 0.442 211 L N 4.627 125.838 121.223 -0.020 0.000 2.265 211 L HA 0.718 5.058 4.340 -0.000 0.000 0.289 211 L C -1.061 175.814 176.870 0.009 0.000 1.033 211 L CA -0.947 53.889 54.840 -0.007 0.000 0.814 211 L CB 0.742 42.797 42.059 -0.006 0.000 1.203 211 L HN 0.536 nan 8.230 nan 0.000 0.423 212 L N 5.399 126.637 121.223 0.026 0.000 2.272 212 L HA 0.630 4.970 4.340 -0.000 0.000 0.289 212 L C -0.724 176.167 176.870 0.035 0.000 1.032 212 L CA 0.522 55.381 54.840 0.033 0.000 0.810 212 L CB 0.873 42.967 42.059 0.058 0.000 1.205 212 L HN 0.617 nan 8.230 nan 0.000 0.422 213 E N 3.377 123.578 120.200 0.001 0.000 2.433 213 E HA 0.398 4.748 4.350 -0.000 0.000 0.278 213 E C -1.000 175.564 176.600 -0.060 0.000 0.976 213 E CA -0.900 55.488 56.400 -0.020 0.000 0.793 213 E CB 1.983 31.692 29.700 0.015 0.000 1.311 213 E HN 0.575 nan 8.360 nan 0.000 0.460 214 R N 1.440 121.886 120.500 -0.091 0.000 2.640 214 R HA 0.027 4.367 4.340 -0.000 0.000 0.270 214 R C -1.597 174.705 176.300 0.004 0.000 1.024 214 R CA -0.934 55.126 56.100 -0.066 0.000 1.085 214 R CB -0.161 30.111 30.300 -0.047 0.000 0.963 214 R HN 0.159 nan 8.270 nan 0.000 0.426 215 P HA -0.172 nan 4.420 nan 0.000 0.216 215 P C -1.487 175.834 177.300 0.035 0.000 1.157 215 P CA 1.646 64.767 63.100 0.034 0.000 0.880 215 P CB -0.577 31.157 31.700 0.055 0.000 0.791 216 P HA -0.095 nan 4.420 nan 0.000 0.217 216 P C 1.537 178.850 177.300 0.021 0.000 1.150 216 P CA 1.123 64.225 63.100 0.004 0.000 0.832 216 P CB -0.476 31.195 31.700 -0.048 0.000 0.787 217 V N 0.065 120.005 119.914 0.043 0.000 2.453 217 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 217 V C 2.508 178.622 176.094 0.034 0.000 1.048 217 V CA 1.835 64.167 62.300 0.052 0.000 1.049 217 V CB -1.799 30.071 31.823 0.079 0.000 0.672 217 V HN 0.078 nan 8.190 nan 0.000 0.457 218 A N -0.063 122.771 122.820 0.023 0.000 1.940 218 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 218 A C 2.181 179.773 177.584 0.013 0.000 1.176 218 A CA 1.757 53.803 52.037 0.015 0.000 0.631 218 A CB -0.386 18.619 19.000 0.008 0.000 0.814 218 A HN 0.504 nan 8.150 nan 0.000 0.446 219 E N 0.069 120.277 120.200 0.012 0.000 2.150 219 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 219 E C 1.867 178.473 176.600 0.010 0.000 0.985 219 E CA 1.175 57.580 56.400 0.008 0.000 0.814 219 E CB -0.362 29.342 29.700 0.005 0.000 0.752 219 E HN 0.796 nan 8.360 nan 0.000 0.466 220 E N 0.864 121.073 120.200 0.015 0.000 2.072 220 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 220 E C 2.047 178.655 176.600 0.013 0.000 0.985 220 E CA 1.034 57.444 56.400 0.016 0.000 0.801 220 E CB -0.100 29.615 29.700 0.024 0.000 0.750 220 E HN 0.192 nan 8.360 nan 0.000 0.452 221 A N 1.604 124.433 122.820 0.015 0.000 1.933 221 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 221 A C 2.104 179.691 177.584 0.005 0.000 1.175 221 A CA 1.441 53.484 52.037 0.010 0.000 0.628 221 A CB -0.464 18.543 19.000 0.012 0.000 0.814 221 A HN 0.080 nan 8.150 nan 0.000 0.444 222 R N -0.166 120.337 120.500 0.005 0.000 2.083 222 R HA -0.221 4.119 4.340 -0.000 0.000 0.237 222 R C 2.240 178.541 176.300 0.002 0.000 1.137 222 R CA 1.996 58.097 56.100 0.002 0.000 0.951 222 R CB -0.330 29.972 30.300 0.003 0.000 0.851 222 R HN 0.741 nan 8.270 nan 0.000 0.434 223 E N 0.366 120.568 120.200 0.004 0.000 2.077 223 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 223 E C 2.125 178.727 176.600 0.003 0.000 0.989 223 E CA 1.249 57.651 56.400 0.004 0.000 0.800 223 E CB -0.145 29.558 29.700 0.005 0.000 0.746 223 E HN 0.429 nan 8.360 nan 0.000 0.452 224 L N 0.392 121.616 121.223 0.003 0.000 2.027 224 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 224 L C 2.375 179.244 176.870 -0.001 0.000 1.074 224 L CA 1.114 55.955 54.840 0.001 0.000 0.745 224 L CB -0.118 41.942 42.059 0.002 0.000 0.898 224 L HN 0.224 nan 8.230 nan 0.000 0.433 225 L N -0.847 120.375 121.223 -0.003 0.000 2.093 225 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 225 L C 2.465 179.332 176.870 -0.005 0.000 1.085 225 L CA 1.555 56.391 54.840 -0.006 0.000 0.755 225 L CB -0.800 41.254 42.059 -0.009 0.000 0.904 225 L HN 0.270 nan 8.230 nan 0.000 0.435 226 T N -0.398 114.154 114.554 -0.003 0.000 2.708 226 T HA -0.152 4.197 4.350 -0.000 0.000 0.266 226 T C 1.842 176.540 174.700 -0.002 0.000 1.037 226 T CA 1.453 63.551 62.100 -0.003 0.000 1.146 226 T CB -0.622 68.245 68.868 -0.001 0.000 0.865 226 T HN 0.558 nan 8.240 nan 0.000 0.435 227 G N 1.208 110.007 108.800 -0.001 0.000 2.448 227 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 227 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 227 G C 1.614 176.513 174.900 -0.002 0.000 1.127 227 G CA 0.193 45.292 45.100 -0.000 0.000 0.766 227 G HN 0.313 nan 8.290 nan 0.000 0.552 228 R N 0.081 120.579 120.500 -0.003 0.000 2.317 228 R HA 0.134 4.474 4.340 -0.000 0.000 0.208 228 R C 1.629 177.926 176.300 -0.005 0.000 0.914 228 R CA 0.557 56.655 56.100 -0.004 0.000 1.060 228 R CB -0.100 30.197 30.300 -0.005 0.000 1.015 228 R HN 0.387 nan 8.270 nan 0.000 0.498 229 G N 1.299 110.096 108.800 -0.005 0.000 2.160 229 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 229 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 229 G C 0.446 175.342 174.900 -0.006 0.000 1.022 229 G CA 0.113 45.210 45.100 -0.005 0.000 0.741 229 G HN 0.362 nan 8.290 nan 0.000 0.508 230 L N -0.636 120.583 121.223 -0.007 0.000 2.808 230 L HA 0.430 4.770 4.340 -0.000 0.000 0.246 230 L C 2.594 179.458 176.870 -0.010 0.000 1.153 230 L CA 0.564 55.398 54.840 -0.010 0.000 0.956 230 L CB 0.085 42.136 42.059 -0.012 0.000 1.270 230 L HN 0.288 nan 8.230 nan 0.000 0.528 231 A N 1.054 123.869 122.820 -0.008 0.000 1.978 231 A HA -0.233 4.086 4.320 -0.000 0.000 0.220 231 A C 1.868 179.447 177.584 -0.008 0.000 1.170 231 A CA 2.035 54.067 52.037 -0.007 0.000 0.636 231 A CB -0.342 18.655 19.000 -0.005 0.000 0.810 231 A HN 0.583 nan 8.150 nan 0.000 0.448 232 D N -1.070 119.326 120.400 -0.007 0.000 2.347 232 D HA -0.078 4.562 4.640 -0.000 0.000 0.215 232 D C 1.527 177.822 176.300 -0.009 0.000 0.976 232 D CA 0.634 54.630 54.000 -0.007 0.000 0.884 232 D CB -0.309 40.488 40.800 -0.005 0.000 0.915 232 D HN 0.534 nan 8.370 nan 0.000 0.526 233 R N -1.189 119.305 120.500 -0.012 0.000 2.476 233 R HA 0.270 4.610 4.340 -0.000 0.000 0.276 233 R C -0.362 175.925 176.300 -0.022 0.000 0.941 233 R CA -0.171 55.920 56.100 -0.015 0.000 1.088 233 R CB 0.929 31.221 30.300 -0.012 0.000 1.216 233 R HN 0.068 nan 8.270 nan 0.000 0.533 234 C N 1.846 121.133 119.300 -0.021 0.000 2.381 234 C HA 0.279 4.738 4.460 -0.000 0.000 0.328 234 C C -0.264 174.713 174.990 -0.021 0.000 1.190 234 C CA -0.787 58.215 59.018 -0.027 0.000 1.369 234 C CB 0.982 28.705 27.740 -0.029 0.000 2.029 234 C HN 0.404 nan 8.230 nan 0.000 0.448 235 E N 5.169 125.356 120.200 -0.022 0.000 2.338 235 E HA 0.281 4.630 4.350 -0.000 0.000 0.272 235 E C -0.513 176.080 176.600 -0.013 0.000 1.029 235 E CA -0.268 56.123 56.400 -0.015 0.000 0.872 235 E CB 0.607 30.297 29.700 -0.015 0.000 1.015 235 E HN 0.629 nan 8.360 nan 0.000 0.417 236 I N 5.766 126.331 120.570 -0.007 0.000 2.315 236 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 236 I C -0.265 175.851 176.117 -0.002 0.000 1.006 236 I CA -0.648 60.649 61.300 -0.004 0.000 1.265 236 I CB 0.730 38.729 38.000 -0.002 0.000 1.387 236 I HN 0.502 nan 8.210 nan 0.000 0.475 237 L N 10.324 131.547 121.223 0.000 0.000 2.337 237 L HA 0.577 4.917 4.340 -0.000 0.000 0.269 237 L C -2.529 174.340 176.870 -0.002 0.000 1.018 237 L CA -1.806 53.034 54.840 0.001 0.000 0.876 237 L CB 1.252 43.315 42.059 0.005 0.000 1.236 237 L HN 0.219 nan 8.230 nan 0.000 0.436 238 P HA 0.502 nan 4.420 nan 0.000 0.267 238 P C -0.094 177.195 177.300 -0.018 0.000 1.205 238 P CA 0.032 63.127 63.100 -0.008 0.000 0.765 238 P CB 1.054 32.754 31.700 0.000 0.000 0.828 239 G N 1.479 110.255 108.800 -0.040 0.000 2.341 239 G HA2 0.409 4.369 3.960 -0.000 0.000 0.299 239 G HA3 0.409 4.369 3.960 -0.000 0.000 0.299 239 G C -2.145 172.684 174.900 -0.119 0.000 1.274 239 G CA -0.391 44.675 45.100 -0.055 0.000 0.853 239 G HN 0.447 nan 8.290 nan 0.000 0.493 240 D N -0.468 119.858 120.400 -0.123 0.000 2.620 240 D HA 0.454 5.094 4.640 -0.000 0.000 0.252 240 D C 0.915 177.118 176.300 -0.161 0.000 1.207 240 D CA -0.921 52.952 54.000 -0.212 0.000 0.884 240 D CB 1.110 41.848 40.800 -0.104 0.000 1.262 240 D HN 0.272 nan 8.370 nan 0.000 0.552 241 F N 2.242 122.065 119.950 -0.212 0.000 2.771 241 F HA 0.210 4.737 4.527 -0.000 0.000 0.299 241 F C 0.920 176.469 175.800 -0.418 0.000 1.177 241 F CA -0.334 57.475 58.000 -0.318 0.000 1.450 241 F CB -1.051 37.724 39.000 -0.374 0.000 1.114 241 F HN 0.126 nan 8.300 nan 0.000 0.587 242 F N 0.788 120.788 119.950 0.083 0.000 2.789 242 F HA 0.145 4.672 4.527 -0.000 0.000 0.300 242 F C 1.866 177.646 175.800 -0.034 0.000 1.132 242 F CA 0.440 58.434 58.000 -0.010 0.000 1.404 242 F CB -0.105 38.844 39.000 -0.085 0.000 1.114 242 F HN -0.001 nan 8.300 nan 0.000 0.584 243 E N -1.267 118.996 120.200 0.105 0.000 2.367 243 E HA 0.189 4.539 4.350 -0.000 0.000 0.204 243 E C 0.189 176.803 176.600 0.022 0.000 0.840 243 E CA 0.616 57.047 56.400 0.052 0.000 1.051 243 E CB 0.441 30.159 29.700 0.030 0.000 1.051 243 E HN 0.023 nan 8.360 nan 0.000 0.509 244 T N 2.209 116.772 114.554 0.015 0.000 2.881 244 T HA 0.530 4.880 4.350 -0.000 0.000 0.290 244 T C -0.459 174.249 174.700 0.014 0.000 1.000 244 T CA -0.450 61.656 62.100 0.009 0.000 0.978 244 T CB 1.592 70.464 68.868 0.007 0.000 0.997 244 T HN -0.107 nan 8.240 nan 0.000 0.443 245 I N 3.938 124.511 120.570 0.005 0.000 2.478 245 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 245 I C -2.471 173.678 176.117 0.055 0.000 1.042 245 I CA -2.854 58.457 61.300 0.017 0.000 1.067 245 I CB 1.586 39.546 38.000 -0.067 0.000 1.233 245 I HN 0.346 nan 8.210 nan 0.000 0.431 246 P HA 0.024 nan 4.420 nan 0.000 0.262 246 P C -0.475 176.936 177.300 0.186 0.000 1.182 246 P CA 0.225 63.398 63.100 0.121 0.000 0.761 246 P CB 0.539 32.304 31.700 0.109 0.000 0.795 247 D N 1.728 122.197 120.400 0.115 0.000 2.255 247 D HA 0.420 5.060 4.640 -0.000 0.000 0.249 247 D C 1.182 177.565 176.300 0.138 0.000 1.078 247 D CA 0.752 54.821 54.000 0.116 0.000 0.896 247 D CB 0.222 41.054 40.800 0.053 0.000 1.194 247 D HN 0.569 nan 8.370 nan 0.000 0.429 248 G N 1.788 110.693 108.800 0.174 0.000 2.147 248 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.244 248 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.244 248 G C 0.368 175.315 174.900 0.078 0.000 1.005 248 G CA 0.226 45.396 45.100 0.116 0.000 0.713 248 G HN 0.777 nan 8.290 nan 0.000 0.515 249 A N -0.487 122.370 122.820 0.062 0.000 2.304 249 A HA 0.634 4.954 4.320 -0.000 0.000 0.271 249 A C 1.229 178.741 177.584 -0.120 0.000 1.091 249 A CA 0.528 52.452 52.037 -0.189 0.000 0.812 249 A CB 0.487 19.105 19.000 -0.636 0.000 1.056 249 A HN 0.134 nan 8.150 nan 0.000 0.489 250 D N -0.466 119.861 120.400 -0.122 0.000 2.149 250 D HA 0.043 4.683 4.640 -0.000 0.000 0.201 250 D C 0.146 176.425 176.300 -0.035 0.000 0.972 250 D CA 1.552 55.529 54.000 -0.040 0.000 0.835 250 D CB 0.069 40.856 40.800 -0.021 0.000 0.966 250 D HN 0.213 nan 8.370 nan 0.000 0.476 251 V N 0.587 120.415 119.914 -0.143 0.000 2.638 251 V HA 0.284 4.404 4.120 -0.000 0.000 0.306 251 V C -1.153 174.770 176.094 -0.285 0.000 1.052 251 V CA -0.914 61.337 62.300 -0.083 0.000 0.885 251 V CB 1.857 33.710 31.823 0.049 0.000 0.999 251 V HN -0.059 nan 8.190 nan 0.000 0.424 252 Y N 4.194 124.466 120.300 -0.047 0.000 2.377 252 Y HA 0.767 5.317 4.550 -0.000 0.000 0.339 252 Y C -0.066 175.779 175.900 -0.092 0.000 1.011 252 Y CA -0.721 57.339 58.100 -0.067 0.000 1.093 252 Y CB 1.832 40.247 38.460 -0.076 0.000 1.201 252 Y HN 0.438 nan 8.280 nan 0.000 0.455 253 L N 4.839 126.079 121.223 0.029 0.000 2.362 253 L HA 0.658 4.998 4.340 -0.000 0.000 0.271 253 L C -0.995 175.849 176.870 -0.042 0.000 1.002 253 L CA -0.811 54.008 54.840 -0.036 0.000 0.818 253 L CB 2.508 44.532 42.059 -0.059 0.000 1.298 253 L HN 0.606 nan 8.230 nan 0.000 0.420 254 I N 2.974 123.490 120.570 -0.090 0.000 2.563 254 I HA 0.293 4.463 4.170 -0.000 0.000 0.281 254 I C -1.146 174.892 176.117 -0.131 0.000 1.110 254 I CA -0.269 60.969 61.300 -0.103 0.000 1.073 254 I CB 1.164 39.077 38.000 -0.144 0.000 1.215 254 I HN 0.606 nan 8.210 nan 0.000 0.460 255 K N 6.313 126.652 120.400 -0.101 0.000 2.358 255 K HA 0.405 4.725 4.320 -0.000 0.000 0.260 255 K C -0.234 176.312 176.600 -0.090 0.000 0.956 255 K CA -0.365 55.808 56.287 -0.190 0.000 0.834 255 K CB 0.536 32.916 32.500 -0.199 0.000 1.102 255 K HN 0.639 nan 8.250 nan 0.000 0.431 256 H N 1.367 120.368 119.070 -0.116 0.000 2.741 256 H HA -0.159 4.397 4.556 -0.000 0.000 0.305 256 H C 0.449 175.830 175.328 0.087 0.000 1.169 256 H CA 0.818 56.740 56.048 -0.209 0.000 1.144 256 H CB -1.713 28.036 29.762 -0.021 0.000 1.397 256 H HN 0.377 nan 8.280 nan 0.000 0.409 257 V N -0.520 119.518 119.914 0.206 0.000 2.854 257 V HA -0.019 4.100 4.120 -0.000 0.000 0.236 257 V C 2.561 178.938 176.094 0.471 0.000 1.157 257 V CA 0.822 63.330 62.300 0.346 0.000 1.187 257 V CB -0.051 31.861 31.823 0.149 0.000 0.949 257 V HN 0.258 nan 8.190 nan 0.000 0.488 258 L N 1.143 122.558 121.223 0.319 0.000 2.191 258 L HA -0.199 4.140 4.340 -0.000 0.000 0.212 258 L C 2.461 179.655 176.870 0.540 0.000 1.103 258 L CA 2.171 57.269 54.840 0.429 0.000 0.769 258 L CB -0.865 41.405 42.059 0.352 0.000 0.908 258 L HN 0.699 nan 8.230 nan 0.000 0.438 259 H N -2.385 116.892 119.070 0.345 0.000 2.559 259 H HA -0.061 4.495 4.556 -0.000 0.000 0.273 259 H C 0.953 176.357 175.328 0.127 0.000 1.000 259 H CA 0.390 56.580 56.048 0.237 0.000 1.195 259 H CB -0.081 29.824 29.762 0.239 0.000 1.368 259 H HN 0.275 nan 8.280 nan 0.000 0.592 260 D N 0.179 120.753 120.400 0.291 0.000 2.347 260 D HA -0.006 4.634 4.640 -0.000 0.000 0.213 260 D C -0.433 175.629 176.300 -0.396 0.000 0.985 260 D CA 0.491 54.399 54.000 -0.152 0.000 0.879 260 D CB 0.093 40.785 40.800 -0.181 0.000 0.919 260 D HN 0.460 nan 8.370 nan 0.000 0.526 261 W N 1.516 122.955 121.300 0.232 0.000 2.761 261 W HA 0.229 4.889 4.660 -0.000 0.000 0.340 261 W C 0.156 176.756 176.519 0.135 0.000 1.072 261 W CA -1.235 56.241 57.345 0.218 0.000 1.215 261 W CB 0.838 30.452 29.460 0.257 0.000 1.420 261 W HN -0.252 nan 8.180 nan 0.000 0.519 262 D N -0.059 120.554 120.400 0.356 0.000 2.384 262 D HA -0.010 4.630 4.640 -0.000 0.000 0.244 262 D C 0.765 177.179 176.300 0.190 0.000 1.251 262 D CA 0.056 54.176 54.000 0.200 0.000 0.961 262 D CB 0.624 41.511 40.800 0.144 0.000 1.116 262 D HN 0.308 nan 8.370 nan 0.000 0.484 263 D N -0.530 119.933 120.400 0.105 0.000 2.133 263 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 263 D C 1.280 177.635 176.300 0.092 0.000 0.997 263 D CA 1.260 55.307 54.000 0.077 0.000 0.840 263 D CB -0.174 40.647 40.800 0.034 0.000 0.947 263 D HN 0.446 nan 8.370 nan 0.000 0.452 264 D N 0.343 120.798 120.400 0.093 0.000 2.183 264 D HA -0.099 4.541 4.640 -0.000 0.000 0.203 264 D C 1.437 177.804 176.300 0.111 0.000 0.969 264 D CA 0.715 54.764 54.000 0.080 0.000 0.842 264 D CB -0.143 40.692 40.800 0.059 0.000 0.957 264 D HN 0.192 nan 8.370 nan 0.000 0.484 265 D N 0.272 120.779 120.400 0.180 0.000 2.149 265 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 265 D C 2.312 178.721 176.300 0.181 0.000 0.972 265 D CA 0.248 54.400 54.000 0.255 0.000 0.835 265 D CB 0.002 41.062 40.800 0.434 0.000 0.966 265 D HN 0.033 nan 8.370 nan 0.000 0.476 266 V N 0.719 120.738 119.914 0.175 0.000 2.295 266 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 266 V C 2.647 178.760 176.094 0.032 0.000 1.049 266 V CA 1.050 63.410 62.300 0.099 0.000 1.024 266 V CB -0.392 31.529 31.823 0.163 0.000 0.648 266 V HN 0.058 nan 8.190 nan 0.000 0.447 267 V N -0.239 119.707 119.914 0.054 0.000 2.407 267 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 267 V C 2.578 178.678 176.094 0.009 0.000 1.055 267 V CA 1.980 64.297 62.300 0.027 0.000 1.049 267 V CB -0.814 31.029 31.823 0.033 0.000 0.662 267 V HN 0.475 nan 8.190 nan 0.000 0.455 268 R N -0.320 120.206 120.500 0.043 0.000 2.083 268 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 268 R C 2.255 178.544 176.300 -0.017 0.000 1.137 268 R CA 1.879 58.016 56.100 0.062 0.000 0.951 268 R CB -0.471 29.944 30.300 0.193 0.000 0.851 268 R HN 0.444 nan 8.270 nan 0.000 0.434 269 I N 0.832 121.321 120.570 -0.134 0.000 2.142 269 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 269 I C 2.296 178.272 176.117 -0.234 0.000 1.078 269 I CA 1.291 62.389 61.300 -0.337 0.000 1.343 269 I CB -0.281 37.342 38.000 -0.628 0.000 1.046 269 I HN 0.138 nan 8.210 nan 0.000 0.405 270 L N 0.118 121.243 121.223 -0.165 0.000 2.127 270 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 270 L C 2.723 179.524 176.870 -0.117 0.000 1.089 270 L CA 1.367 56.128 54.840 -0.132 0.000 0.757 270 L CB -0.571 41.447 42.059 -0.069 0.000 0.899 270 L HN 0.206 nan 8.230 nan 0.000 0.434 271 R N -0.489 119.959 120.500 -0.085 0.000 2.115 271 R HA -0.120 4.220 4.340 -0.000 0.000 0.226 271 R C 2.411 178.660 176.300 -0.085 0.000 1.100 271 R CA 0.902 56.961 56.100 -0.069 0.000 0.980 271 R CB -0.158 30.120 30.300 -0.036 0.000 0.875 271 R HN 0.249 nan 8.270 nan 0.000 0.445 272 R N 0.794 121.235 120.500 -0.097 0.000 2.092 272 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 272 R C 2.077 178.280 176.300 -0.163 0.000 1.119 272 R CA 1.061 57.100 56.100 -0.103 0.000 0.970 272 R CB -0.063 30.186 30.300 -0.084 0.000 0.864 272 R HN 0.161 nan 8.270 nan 0.000 0.440 273 I N 0.381 120.821 120.570 -0.217 0.000 2.252 273 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 273 I C 2.512 178.437 176.117 -0.320 0.000 1.102 273 I CA 1.184 62.280 61.300 -0.340 0.000 1.385 273 I CB -0.456 37.342 38.000 -0.337 0.000 1.064 273 I HN 0.252 nan 8.210 nan 0.000 0.414 274 A N 1.075 123.773 122.820 -0.202 0.000 1.917 274 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 274 A C 2.425 179.931 177.584 -0.128 0.000 1.182 274 A CA 2.722 54.670 52.037 -0.148 0.000 0.633 274 A CB -1.308 17.635 19.000 -0.096 0.000 0.819 274 A HN 0.547 nan 8.150 nan 0.000 0.448 275 T N -2.593 111.892 114.554 -0.114 0.000 3.035 275 T HA 0.444 4.794 4.350 -0.000 0.000 0.268 275 T C 0.908 175.558 174.700 -0.083 0.000 1.109 275 T CA 0.828 62.880 62.100 -0.080 0.000 1.119 275 T CB -0.486 68.346 68.868 -0.059 0.000 0.900 275 T HN 0.668 nan 8.240 nan 0.000 0.503 279 P HA -0.218 nan 4.420 nan 0.000 0.217 279 P C 0.324 177.633 177.300 0.015 0.000 1.148 279 P CA 1.494 64.601 63.100 0.010 0.000 0.828 279 P CB 0.109 31.813 31.700 0.007 0.000 0.783 280 D N -2.473 117.940 120.400 0.021 0.000 2.349 280 D HA 0.046 4.686 4.640 -0.000 0.000 0.214 280 D C 0.272 176.593 176.300 0.036 0.000 1.063 280 D CA 0.117 54.130 54.000 0.022 0.000 0.847 280 D CB -0.335 40.475 40.800 0.017 0.000 0.933 280 D HN 0.007 nan 8.370 nan 0.000 0.513 281 S N 0.730 116.462 115.700 0.054 0.000 2.576 281 S HA 0.219 4.689 4.470 -0.000 0.000 0.272 281 S C 0.386 175.033 174.600 0.077 0.000 1.352 281 S CA -0.175 58.080 58.200 0.090 0.000 1.021 281 S CB 0.948 64.247 63.200 0.166 0.000 0.887 281 S HN 0.138 nan 8.310 nan 0.000 0.542 282 R N 0.862 121.417 120.500 0.091 0.000 2.686 282 R HA 0.517 4.857 4.340 -0.000 0.000 0.286 282 R C -1.122 175.223 176.300 0.075 0.000 0.969 282 R CA -0.889 55.246 56.100 0.059 0.000 0.898 282 R CB 1.286 31.614 30.300 0.047 0.000 1.183 282 R HN 0.494 nan 8.270 nan 0.000 0.456 283 L N 3.069 124.303 121.223 0.018 0.000 2.307 283 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 283 L C -1.086 175.725 176.870 -0.098 0.000 1.023 283 L CA -0.246 54.591 54.840 -0.006 0.000 0.810 283 L CB 1.065 43.093 42.059 -0.050 0.000 1.231 283 L HN 0.492 nan 8.230 nan 0.000 0.423 284 L N 6.426 127.566 121.223 -0.137 0.000 2.276 284 L HA 0.446 4.786 4.340 -0.000 0.000 0.286 284 L C -0.580 176.172 176.870 -0.197 0.000 1.024 284 L CA -0.878 53.831 54.840 -0.218 0.000 0.826 284 L CB 1.489 43.352 42.059 -0.326 0.000 1.211 284 L HN 0.339 nan 8.230 nan 0.000 0.422 285 V N 5.486 125.261 119.914 -0.232 0.000 2.408 285 V HA 0.276 4.396 4.120 -0.000 0.000 0.267 285 V C 0.326 176.242 176.094 -0.296 0.000 1.047 285 V CA 0.050 62.172 62.300 -0.297 0.000 0.937 285 V CB 1.229 32.784 31.823 -0.446 0.000 0.999 285 V HN 0.502 nan 8.190 nan 0.000 0.472 286 I N 5.307 125.714 120.570 -0.272 0.000 2.390 286 I HA 0.583 4.753 4.170 -0.000 0.000 0.283 286 I C -0.419 175.500 176.117 -0.331 0.000 1.016 286 I CA 0.028 61.169 61.300 -0.265 0.000 1.151 286 I CB 1.260 39.117 38.000 -0.239 0.000 1.293 286 I HN 0.537 nan 8.210 nan 0.000 0.458 287 D N 3.554 123.813 120.400 -0.235 0.000 2.692 287 D HA 0.206 4.846 4.640 -0.000 0.000 0.290 287 D C -1.187 175.158 176.300 0.075 0.000 1.281 287 D CA -0.640 53.289 54.000 -0.118 0.000 0.804 287 D CB 1.763 42.525 40.800 -0.063 0.000 1.331 287 D HN 0.238 nan 8.370 nan 0.000 0.432 288 N N 1.019 119.848 118.700 0.216 0.000 2.431 288 N HA 0.185 4.925 4.740 -0.000 0.000 0.265 288 N C -0.499 175.155 175.510 0.240 0.000 1.184 288 N CA -0.041 53.144 53.050 0.226 0.000 0.943 288 N CB 0.397 39.039 38.487 0.257 0.000 1.080 288 N HN 0.203 nan 8.380 nan 0.000 0.477 289 L N 4.032 125.366 121.223 0.185 0.000 2.280 289 L HA 0.473 4.813 4.340 -0.000 0.000 0.287 289 L C 0.385 177.338 176.870 0.139 0.000 1.023 289 L CA -0.217 54.743 54.840 0.200 0.000 0.819 289 L CB 0.884 43.044 42.059 0.167 0.000 1.212 289 L HN 0.379 nan 8.230 nan 0.000 0.420 290 I N 2.364 123.009 120.570 0.124 0.000 2.664 290 I HA 0.352 4.522 4.170 -0.000 0.000 0.308 290 I C -0.140 176.013 176.117 0.061 0.000 0.984 290 I CA -0.696 60.654 61.300 0.082 0.000 1.213 290 I CB 1.766 39.806 38.000 0.067 0.000 1.379 290 I HN 0.611 nan 8.210 nan 0.000 0.501 291 D N 1.405 121.832 120.400 0.045 0.000 2.624 291 D HA 0.119 4.759 4.640 -0.000 0.000 0.257 291 D C 0.168 176.479 176.300 0.019 0.000 1.167 291 D CA -0.516 53.503 54.000 0.032 0.000 1.086 291 D CB 0.171 40.989 40.800 0.031 0.000 1.210 291 D HN 0.610 nan 8.370 nan 0.000 0.631 292 E N -1.230 118.978 120.200 0.013 0.000 2.476 292 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 292 E C 0.190 176.791 176.600 0.001 0.000 1.064 292 E CA -0.121 56.281 56.400 0.004 0.000 0.866 292 E CB 0.173 29.874 29.700 0.001 0.000 0.952 292 E HN 0.179 nan 8.360 nan 0.000 0.492 293 R N 1.728 122.231 120.500 0.005 0.000 2.684 293 R HA 0.251 4.591 4.340 -0.000 0.000 0.252 293 R C -2.628 173.677 176.300 0.008 0.000 1.628 293 R CA -1.329 54.772 56.100 0.002 0.000 1.622 293 R CB 1.113 31.414 30.300 0.002 0.000 1.418 293 R HN 0.128 nan 8.270 nan 0.000 0.697 294 P HA 0.206 nan 4.420 nan 0.000 0.274 294 P C -0.458 176.852 177.300 0.016 0.000 1.256 294 P CA -0.481 62.631 63.100 0.019 0.000 0.795 294 P CB 0.657 32.371 31.700 0.022 0.000 1.038 295 A N 0.515 123.355 122.820 0.032 0.000 2.425 295 A HA 0.425 4.745 4.320 -0.000 0.000 0.242 295 A C 1.605 179.211 177.584 0.038 0.000 1.077 295 A CA 0.294 52.355 52.037 0.039 0.000 0.781 295 A CB -0.441 18.593 19.000 0.056 0.000 1.020 295 A HN 0.587 nan 8.150 nan 0.000 0.494 296 A N 1.291 124.138 122.820 0.046 0.000 1.873 296 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 296 A C 2.512 180.195 177.584 0.164 0.000 1.193 296 A CA 2.637 54.698 52.037 0.040 0.000 0.629 296 A CB -1.201 17.873 19.000 0.123 0.000 0.826 296 A HN 1.304 nan 8.150 nan 0.000 0.447 297 S N -1.322 114.528 115.700 0.250 0.000 2.400 297 S HA -0.143 4.327 4.470 -0.000 0.000 0.232 297 S C 1.986 176.721 174.600 0.225 0.000 1.025 297 S CA 2.148 60.530 58.200 0.303 0.000 0.993 297 S CB -0.609 62.697 63.200 0.176 0.000 0.808 297 S HN 0.651 nan 8.310 nan 0.000 0.478 298 T N 2.456 117.093 114.554 0.138 0.000 2.777 298 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 298 T C 1.674 176.424 174.700 0.084 0.000 1.040 298 T CA 1.212 63.378 62.100 0.110 0.000 1.141 298 T CB -0.265 68.654 68.868 0.085 0.000 0.868 298 T HN 0.338 nan 8.240 nan 0.000 0.444 299 L N -0.394 120.841 121.223 0.020 0.000 2.156 299 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 299 L C 2.209 179.047 176.870 -0.052 0.000 1.095 299 L CA 0.989 55.794 54.840 -0.059 0.000 0.770 299 L CB -0.533 41.429 42.059 -0.162 0.000 0.914 299 L HN 0.198 nan 8.230 nan 0.000 0.439 300 F N -0.326 119.660 119.950 0.059 0.000 2.134 300 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 300 F C 2.388 178.255 175.800 0.112 0.000 1.097 300 F CA 1.175 59.223 58.000 0.080 0.000 1.264 300 F CB -0.715 38.314 39.000 0.049 0.000 1.001 300 F HN -0.233 nan 8.300 nan 0.000 0.479 301 V N -0.037 120.039 119.914 0.270 0.000 2.427 301 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 301 V C 2.334 178.493 176.094 0.109 0.000 1.051 301 V CA 2.065 64.476 62.300 0.186 0.000 1.048 301 V CB -0.597 31.316 31.823 0.149 0.000 0.666 301 V HN 0.397 nan 8.190 nan 0.000 0.456 302 D N 0.013 120.463 120.400 0.084 0.000 2.149 302 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 302 D C 2.102 178.410 176.300 0.013 0.000 0.990 302 D CA 1.366 55.382 54.000 0.027 0.000 0.839 302 D CB 0.180 40.990 40.800 0.017 0.000 0.948 302 D HN 0.388 nan 8.370 nan 0.000 0.460 303 L N 0.599 121.869 121.223 0.079 0.000 2.109 303 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 303 L C 2.378 179.280 176.870 0.053 0.000 1.086 303 L CA 0.833 55.727 54.840 0.091 0.000 0.760 303 L CB -0.641 41.556 42.059 0.229 0.000 0.910 303 L HN 0.077 nan 8.230 nan 0.000 0.437 304 L N -0.922 120.419 121.223 0.197 0.000 2.046 304 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 304 L C 2.265 179.052 176.870 -0.138 0.000 1.077 304 L CA 1.766 56.686 54.840 0.134 0.000 0.747 304 L CB -0.520 41.722 42.059 0.306 0.000 0.896 304 L HN 0.255 nan 8.230 nan 0.000 0.432 305 L N -1.277 119.861 121.223 -0.141 0.000 2.042 305 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 305 L C 2.512 179.225 176.870 -0.262 0.000 1.076 305 L CA 1.363 56.052 54.840 -0.252 0.000 0.749 305 L CB -0.776 41.129 42.059 -0.257 0.000 0.893 305 L HN 0.383 nan 8.230 nan 0.000 0.432 306 L N -0.566 120.532 121.223 -0.208 0.000 1.989 306 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 306 L C 2.395 179.095 176.870 -0.283 0.000 1.071 306 L CA 1.725 56.441 54.840 -0.207 0.000 0.749 306 L CB -0.443 41.517 42.059 -0.166 0.000 0.890 306 L HN -0.087 nan 8.230 nan 0.000 0.431 307 V N -0.278 119.387 119.914 -0.415 0.000 2.295 307 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 307 V C 2.530 178.377 176.094 -0.411 0.000 1.049 307 V CA 2.222 64.183 62.300 -0.564 0.000 1.024 307 V CB -0.513 30.589 31.823 -1.202 0.000 0.648 307 V HN 0.462 nan 8.190 nan 0.000 0.447 308 L N -0.008 120.945 121.223 -0.451 0.000 2.044 308 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 308 L C 1.872 178.379 176.870 -0.605 0.000 1.075 308 L CA 1.683 56.205 54.840 -0.529 0.000 0.747 308 L CB -0.290 41.294 42.059 -0.793 0.000 0.903 308 L HN 0.473 nan 8.230 nan 0.000 0.435 309 V N -5.633 113.961 119.914 -0.533 0.000 3.392 309 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 309 V C 0.958 176.872 176.094 -0.301 0.000 1.561 309 V CA 0.168 62.165 62.300 -0.505 0.000 1.056 309 V CB 0.146 31.574 31.823 -0.658 0.000 0.882 309 V HN 0.417 nan 8.190 nan 0.000 0.440 310 G N 0.036 108.698 108.800 -0.231 0.000 2.143 310 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.248 310 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.248 310 G C 0.588 175.426 174.900 -0.104 0.000 0.991 310 G CA 0.421 45.442 45.100 -0.132 0.000 0.689 310 G HN 1.410 nan 8.290 nan 0.000 0.522 311 G N -0.999 107.709 108.800 -0.154 0.000 2.543 311 G HA2 1.015 4.975 3.960 -0.000 0.000 0.267 311 G HA3 1.015 4.975 3.960 -0.000 0.000 0.267 311 G C -0.028 174.821 174.900 -0.085 0.000 1.406 311 G CA 0.369 45.409 45.100 -0.100 0.000 1.048 311 G HN 1.859 nan 8.290 nan 0.000 0.548 312 A N -1.389 121.402 122.820 -0.049 0.000 2.590 312 A HA 0.574 4.894 4.320 -0.000 0.000 0.294 312 A C -0.886 176.713 177.584 0.024 0.000 1.046 312 A CA -0.664 51.353 52.037 -0.033 0.000 0.684 312 A CB 1.031 20.010 19.000 -0.036 0.000 1.279 312 A HN 0.468 nan 8.150 nan 0.000 0.415 313 E N 0.990 121.213 120.200 0.039 0.000 2.349 313 E HA 0.522 4.872 4.350 -0.000 0.000 0.265 313 E C -0.227 176.367 176.600 -0.010 0.000 1.064 313 E CA -0.111 56.347 56.400 0.097 0.000 0.886 313 E CB 1.056 30.830 29.700 0.123 0.000 1.036 313 E HN 0.554 nan 8.360 nan 0.000 0.413 314 R N 0.077 120.542 120.500 -0.059 0.000 2.867 314 R HA 0.389 4.729 4.340 -0.000 0.000 0.268 314 R C -0.132 176.128 176.300 -0.066 0.000 1.014 314 R CA -0.723 55.239 56.100 -0.230 0.000 0.946 314 R CB 1.718 31.554 30.300 -0.773 0.000 1.208 314 R HN 0.639 nan 8.270 nan 0.000 0.477 315 S N -0.848 114.817 115.700 -0.059 0.000 2.693 315 S HA 0.081 4.551 4.470 -0.000 0.000 0.276 315 S C 0.989 175.674 174.600 0.141 0.000 1.192 315 S CA -0.650 57.581 58.200 0.053 0.000 0.994 315 S CB 1.700 64.915 63.200 0.025 0.000 1.012 315 S HN 0.847 nan 8.310 nan 0.000 0.550 316 E N 1.012 121.318 120.200 0.176 0.000 2.118 316 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 316 E C 1.680 178.377 176.600 0.162 0.000 0.992 316 E CA 1.614 58.140 56.400 0.211 0.000 0.804 316 E CB -0.379 29.395 29.700 0.123 0.000 0.741 316 E HN 0.722 nan 8.360 nan 0.000 0.458 317 S N 0.709 116.463 115.700 0.090 0.000 2.368 317 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 317 S C 1.735 176.362 174.600 0.045 0.000 1.030 317 S CA 1.392 59.627 58.200 0.058 0.000 0.999 317 S CB -0.269 62.950 63.200 0.032 0.000 0.844 317 S HN 0.356 nan 8.310 nan 0.000 0.459 318 E N 0.515 120.718 120.200 0.006 0.000 2.051 318 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 318 E C 1.734 178.308 176.600 -0.043 0.000 0.991 318 E CA 1.099 57.462 56.400 -0.061 0.000 0.799 318 E CB -0.302 29.306 29.700 -0.152 0.000 0.748 318 E HN 0.493 nan 8.360 nan 0.000 0.449 319 F N 1.091 121.054 119.950 0.021 0.000 2.069 319 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 319 F C 2.586 178.389 175.800 0.005 0.000 1.113 319 F CA 0.879 58.889 58.000 0.015 0.000 1.214 319 F CB -0.321 38.686 39.000 0.012 0.000 0.978 319 F HN 0.046 nan 8.300 nan 0.000 0.474 320 A N 0.191 123.134 122.820 0.206 0.000 1.892 320 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 320 A C 2.346 179.975 177.584 0.074 0.000 1.188 320 A CA 2.126 54.228 52.037 0.108 0.000 0.631 320 A CB -1.429 17.616 19.000 0.076 0.000 0.822 320 A HN 0.385 nan 8.150 nan 0.000 0.447 321 A N -0.451 122.405 122.820 0.060 0.000 1.908 321 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 321 A C 2.199 179.806 177.584 0.039 0.000 1.181 321 A CA 1.668 53.727 52.037 0.035 0.000 0.627 321 A CB -0.626 18.384 19.000 0.018 0.000 0.818 321 A HN 0.504 nan 8.150 nan 0.000 0.445 322 L N -0.966 120.291 121.223 0.057 0.000 2.109 322 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 322 L C 2.552 179.457 176.870 0.059 0.000 1.086 322 L CA 0.789 55.665 54.840 0.060 0.000 0.760 322 L CB -0.502 41.608 42.059 0.084 0.000 0.910 322 L HN 0.357 nan 8.230 nan 0.000 0.437 323 L N -0.455 120.812 121.223 0.074 0.000 2.027 323 L HA -0.204 4.136 4.340 -0.000 0.000 0.206 323 L C 2.598 179.478 176.870 0.017 0.000 1.074 323 L CA 1.006 55.869 54.840 0.039 0.000 0.745 323 L CB -0.385 41.697 42.059 0.037 0.000 0.898 323 L HN 0.180 nan 8.230 nan 0.000 0.433 324 E N 0.584 120.797 120.200 0.022 0.000 2.160 324 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 324 E C 2.017 178.622 176.600 0.008 0.000 0.991 324 E CA 1.313 57.721 56.400 0.012 0.000 0.810 324 E CB 0.006 29.715 29.700 0.015 0.000 0.742 324 E HN 0.247 nan 8.360 nan 0.000 0.466 325 K N -0.760 119.647 120.400 0.012 0.000 2.365 325 K HA 0.050 4.370 4.320 -0.000 0.000 0.199 325 K C 1.103 177.705 176.600 0.002 0.000 1.045 325 K CA 0.997 57.289 56.287 0.009 0.000 0.962 325 K CB 0.232 32.740 32.500 0.014 0.000 0.759 325 K HN -0.034 nan 8.250 nan 0.000 0.469 326 S N -0.378 115.321 115.700 -0.002 0.000 2.572 326 S HA 0.152 4.622 4.470 -0.000 0.000 0.228 326 S C 0.728 175.314 174.600 -0.024 0.000 0.963 326 S CA 0.232 58.423 58.200 -0.015 0.000 0.939 326 S CB 1.165 64.352 63.200 -0.022 0.000 0.804 326 S HN 0.502 nan 8.310 nan 0.000 0.480 327 G N 1.689 110.479 108.800 -0.016 0.000 2.198 327 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 327 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 327 G C -0.223 174.662 174.900 -0.025 0.000 1.042 327 G CA 0.037 45.125 45.100 -0.019 0.000 0.791 327 G HN 0.462 nan 8.290 nan 0.000 0.502 328 L N -1.438 119.771 121.223 -0.022 0.000 2.323 328 L HA 0.914 5.254 4.340 -0.000 0.000 0.265 328 L C 0.242 177.103 176.870 -0.015 0.000 1.012 328 L CA -1.534 53.290 54.840 -0.027 0.000 0.820 328 L CB 2.246 44.282 42.059 -0.039 0.000 1.334 328 L HN 0.156 nan 8.230 nan 0.000 0.427 329 R N 0.794 121.284 120.500 -0.016 0.000 2.538 329 R HA 0.503 4.843 4.340 -0.000 0.000 0.292 329 R C -1.709 174.585 176.300 -0.010 0.000 1.008 329 R CA -0.475 55.621 56.100 -0.008 0.000 0.896 329 R CB 1.771 32.067 30.300 -0.007 0.000 1.187 329 R HN 0.291 nan 8.270 nan 0.000 0.440 330 V N 5.355 125.267 119.914 -0.003 0.000 2.521 330 V HA 0.091 4.211 4.120 -0.000 0.000 0.286 330 V C 0.966 177.058 176.094 -0.004 0.000 1.034 330 V CA 0.322 62.619 62.300 -0.006 0.000 1.045 330 V CB 1.325 33.151 31.823 0.005 0.000 0.974 330 V HN 0.895 nan 8.190 nan 0.000 0.480 331 E N 4.070 124.266 120.200 -0.007 0.000 2.079 331 E HA 0.153 4.503 4.350 -0.000 0.000 0.191 331 E C 0.629 177.228 176.600 -0.000 0.000 0.961 331 E CA 0.436 56.835 56.400 -0.002 0.000 0.823 331 E CB 0.468 30.168 29.700 -0.001 0.000 0.789 331 E HN 0.803 nan 8.360 nan 0.000 0.459 332 R N -0.772 119.727 120.500 -0.002 0.000 2.752 332 R HA 0.402 4.742 4.340 -0.000 0.000 0.277 332 R C -1.412 174.886 176.300 -0.003 0.000 1.024 332 R CA -0.759 55.342 56.100 0.001 0.000 0.866 332 R CB 0.958 31.260 30.300 0.003 0.000 1.278 332 R HN 0.015 nan 8.270 nan 0.000 0.473 333 S N 0.397 116.097 115.700 0.001 0.000 2.599 333 S HA 0.825 5.295 4.470 -0.000 0.000 0.287 333 S C -0.764 173.840 174.600 0.007 0.000 1.105 333 S CA -0.867 57.331 58.200 -0.004 0.000 0.899 333 S CB 1.776 64.973 63.200 -0.004 0.000 1.100 333 S HN 0.503 nan 8.310 nan 0.000 0.482 334 L N 1.191 122.418 121.223 0.008 0.000 2.393 334 L HA 0.671 5.011 4.340 -0.000 0.000 0.260 334 L C -2.661 174.220 176.870 0.019 0.000 1.002 334 L CA -2.311 52.541 54.840 0.020 0.000 0.818 334 L CB 2.896 44.981 42.059 0.044 0.000 1.369 334 L HN 0.510 nan 8.230 nan 0.000 0.412 335 P HA 0.253 nan 4.420 nan 0.000 0.281 335 P C -1.248 176.072 177.300 0.033 0.000 1.249 335 P CA -0.525 62.591 63.100 0.027 0.000 0.810 335 P CB 1.675 33.391 31.700 0.026 0.000 1.008 336 C N 1.228 120.549 119.300 0.035 0.000 3.008 336 C HA 0.650 5.110 4.460 -0.000 0.000 0.405 336 C C 0.687 175.704 174.990 0.045 0.000 1.046 336 C CA 0.726 59.770 59.018 0.042 0.000 1.249 336 C CB -0.390 27.375 27.740 0.040 0.000 1.656 336 C HN 0.930 nan 8.230 nan 0.000 0.517 337 G N 3.809 112.638 108.800 0.048 0.000 2.159 337 G HA2 0.262 4.221 3.960 -0.000 0.000 0.227 337 G HA3 0.262 4.221 3.960 -0.000 0.000 0.227 337 G C 0.934 175.865 174.900 0.051 0.000 0.986 337 G CA 0.872 46.003 45.100 0.052 0.000 0.651 337 G HN 2.863 nan 8.290 nan 0.000 0.523 338 A N -1.511 121.336 122.820 0.046 0.000 2.462 338 A HA 0.338 4.658 4.320 -0.000 0.000 0.294 338 A C 1.841 179.455 177.584 0.051 0.000 1.461 338 A CA 2.413 54.476 52.037 0.044 0.000 0.765 338 A CB -1.214 17.809 19.000 0.038 0.000 1.071 338 A HN 2.520 nan 8.150 nan 0.000 0.401 339 G N -1.600 107.236 108.800 0.059 0.000 2.975 339 G HA2 0.654 4.614 3.960 -0.000 0.000 0.291 339 G HA3 0.654 4.614 3.960 -0.000 0.000 0.291 339 G C -1.560 173.385 174.900 0.074 0.000 1.334 339 G CA -0.101 45.041 45.100 0.069 0.000 0.843 339 G HN 0.084 nan 8.290 nan 0.000 0.548 340 P HA 0.094 nan 4.420 nan 0.000 0.230 340 P C 0.449 177.810 177.300 0.102 0.000 1.158 340 P CA 0.181 63.339 63.100 0.097 0.000 0.769 340 P CB 0.101 31.870 31.700 0.115 0.000 0.807 341 V N 1.414 121.390 119.914 0.104 0.000 2.479 341 V HA 0.105 4.225 4.120 -0.000 0.000 0.281 341 V C 0.874 176.992 176.094 0.041 0.000 1.031 341 V CA 0.297 62.649 62.300 0.087 0.000 1.038 341 V CB 0.070 31.952 31.823 0.098 0.000 0.981 341 V HN 0.067 nan 8.190 nan 0.000 0.478 342 R N 3.825 124.333 120.500 0.013 0.000 2.888 342 R HA 0.689 5.028 4.340 -0.000 0.000 0.264 342 R C -1.206 175.060 176.300 -0.058 0.000 1.045 342 R CA -1.026 55.070 56.100 -0.007 0.000 0.962 342 R CB 2.450 32.755 30.300 0.009 0.000 1.210 342 R HN 0.541 nan 8.270 nan 0.000 0.479 343 I N 1.850 122.387 120.570 -0.054 0.000 2.339 343 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 343 I C -0.558 175.501 176.117 -0.097 0.000 0.994 343 I CA -0.824 60.418 61.300 -0.097 0.000 1.191 343 I CB 1.825 39.778 38.000 -0.078 0.000 1.343 343 I HN 0.133 nan 8.210 nan 0.000 0.458 344 V N 6.035 125.859 119.914 -0.149 0.000 2.347 344 V HA 0.255 4.375 4.120 -0.000 0.000 0.280 344 V C 0.118 176.132 176.094 -0.133 0.000 1.021 344 V CA -0.649 61.572 62.300 -0.131 0.000 0.847 344 V CB 1.374 33.087 31.823 -0.182 0.000 0.990 344 V HN 0.718 nan 8.190 nan 0.000 0.444 345 E N 5.077 125.230 120.200 -0.080 0.000 2.174 345 E HA 0.645 4.995 4.350 -0.000 0.000 0.282 345 E C -1.268 175.304 176.600 -0.046 0.000 0.992 345 E CA -0.452 55.910 56.400 -0.065 0.000 0.803 345 E CB 1.092 30.800 29.700 0.013 0.000 1.090 345 E HN 0.655 nan 8.360 nan 0.000 0.396 346 I N 4.181 124.720 120.570 -0.053 0.000 2.730 346 I HA 0.458 4.627 4.170 -0.000 0.000 0.298 346 I C -0.295 175.807 176.117 -0.025 0.000 1.089 346 I CA -0.896 60.379 61.300 -0.043 0.000 1.041 346 I CB 2.074 40.035 38.000 -0.065 0.000 1.235 346 I HN 0.553 nan 8.210 nan 0.000 0.423 347 R N 3.715 124.204 120.500 -0.019 0.000 2.888 347 R HA 0.648 4.988 4.340 -0.000 0.000 0.266 347 R C -0.826 175.462 176.300 -0.020 0.000 1.020 347 R CA -1.059 55.034 56.100 -0.012 0.000 0.963 347 R CB 1.114 31.412 30.300 -0.003 0.000 1.197 347 R HN 0.343 nan 8.270 nan 0.000 0.481 348 R N 0.852 121.341 120.500 -0.018 0.000 2.585 348 R HA 0.113 4.453 4.340 -0.000 0.000 0.275 348 R C 0.177 176.468 176.300 -0.016 0.000 1.018 348 R CA 0.572 56.658 56.100 -0.023 0.000 1.072 348 R CB 0.560 30.849 30.300 -0.020 0.000 0.953 348 R HN 0.791 nan 8.270 nan 0.000 0.419 349 A N 0.000 122.810 122.820 -0.016 0.000 2.254 349 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 349 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 349 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486