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 1n4g_1_A DATA FIRST_RESID 3 DATA SEQUENCE ATVLLEVPFS ARGDRIPDAV AELRTREPIR KVRTITGAEA WLVSSYALCT DATA SEQUENCE QVLEDRRFSM KETAAAGAPR LNALTVPPEV VNNMGNIADA GLRKAVMKAI DATA SEQUENCE TPKAXXLEQF LRDTANSLLD NLITEGAPAD LRNDFADPLA TALHCKVLGI DATA SEQUENCE PQEDGPKLFR SLSIAFMSSA DPIPAAKINW DRDIEYMAGI LENPNITTGL DATA SEQUENCE MGELSRLRKD PAYSHVSDEL FATIGVTFFG AGVISTGSFL TTALISLIQR DATA SEQUENCE PQLRNLLHEK PELIPAGVEE LLRINLSFAD GLPRLATADI QVGDVLVRKG DATA SEQUENCE ELVLVLLEGA NFDPEHFPNP GSIELDRPNP TSHLAFGRGQ HFCPGSALGR DATA SEQUENCE RHAQIGIEAL LKKMPGVDLA VPIDQLVWRT RFQRRIPERL PVLW 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.582 177.584 -0.004 0.000 1.274 3 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 3 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 4 T N 0.571 115.122 114.554 -0.004 0.000 2.908 4 T HA 0.891 5.222 4.350 -0.032 0.000 0.290 4 T C 0.380 175.078 174.700 -0.005 0.000 1.034 4 T CA -0.153 61.944 62.100 -0.004 0.000 1.010 4 T CB 0.863 69.728 68.868 -0.005 0.000 1.068 4 T HN 2.186 nan 8.240 nan 0.000 0.481 5 V N 0.605 120.517 119.914 -0.004 0.000 3.214 5 V HA 0.780 4.881 4.120 -0.032 0.000 0.306 5 V C 0.584 176.675 176.094 -0.005 0.000 1.078 5 V CA -1.210 61.087 62.300 -0.006 0.000 1.077 5 V CB 0.803 32.623 31.823 -0.006 0.000 1.121 5 V HN 0.889 nan 8.190 nan 0.000 0.468 6 L N 2.468 123.684 121.223 -0.011 0.000 2.525 6 L HA 0.241 4.562 4.340 -0.032 0.000 0.278 6 L C 0.143 177.015 176.870 0.003 0.000 1.218 6 L CA 0.066 54.899 54.840 -0.013 0.000 0.878 6 L CB 0.113 42.151 42.059 -0.034 0.000 1.127 6 L HN 0.845 nan 8.230 nan 0.000 0.492 7 L N 5.247 126.482 121.223 0.019 0.000 2.667 7 L HA 0.001 4.322 4.340 -0.032 0.000 0.278 7 L C 0.098 177.014 176.870 0.078 0.000 1.217 7 L CA 0.941 55.817 54.840 0.059 0.000 0.935 7 L CB -0.287 41.826 42.059 0.091 0.000 1.193 7 L HN 0.697 nan 8.230 nan 0.000 0.493 8 E N 4.019 124.277 120.200 0.097 0.000 2.277 8 E HA 0.546 4.877 4.350 -0.032 0.000 0.274 8 E C -0.831 175.830 176.600 0.101 0.000 1.022 8 E CA -0.731 55.712 56.400 0.072 0.000 0.853 8 E CB 1.750 31.478 29.700 0.047 0.000 1.086 8 E HN 0.561 nan 8.360 nan 0.000 0.397 9 V N -0.152 119.753 119.914 -0.015 0.000 2.864 9 V HA 0.625 4.725 4.120 -0.032 0.000 0.314 9 V C -2.366 173.672 176.094 -0.093 0.000 1.073 9 V CA -2.247 59.968 62.300 -0.141 0.000 0.956 9 V CB 1.303 32.966 31.823 -0.268 0.000 1.023 9 V HN 0.585 nan 8.190 nan 0.000 0.435 10 P HA 0.402 nan 4.420 nan 0.000 0.276 10 P C 0.388 177.659 177.300 -0.048 0.000 1.252 10 P CA -0.307 62.680 63.100 -0.188 0.000 0.802 10 P CB 1.123 32.760 31.700 -0.107 0.000 1.035 11 F N -0.606 119.328 119.950 -0.026 0.000 2.163 11 F HA -0.009 4.500 4.527 -0.030 0.000 0.297 11 F C 1.599 177.372 175.800 -0.044 0.000 1.094 11 F CA 0.689 58.667 58.000 -0.036 0.000 1.290 11 F CB 0.130 39.102 39.000 -0.047 0.000 1.017 11 F HN 0.311 nan 8.300 nan 0.000 0.483 12 S N -1.298 114.476 115.700 0.124 0.000 2.542 12 S HA 0.578 5.029 4.470 -0.032 0.000 0.276 12 S C 0.008 174.591 174.600 -0.028 0.000 1.148 12 S CA -0.314 57.901 58.200 0.026 0.000 0.886 12 S CB 1.544 64.731 63.200 -0.022 0.000 1.109 12 S HN 0.132 nan 8.310 nan 0.000 0.458 13 A N 3.596 126.401 122.820 -0.024 0.000 2.206 13 A HA 0.268 4.568 4.320 -0.032 0.000 0.211 13 A C 0.961 178.437 177.584 -0.181 0.000 1.158 13 A CA 0.244 52.275 52.037 -0.009 0.000 0.761 13 A CB -0.258 18.801 19.000 0.099 0.000 0.801 13 A HN 0.756 nan 8.150 nan 0.000 0.473 14 R N -0.484 119.777 120.500 -0.399 0.000 2.522 14 R HA 0.235 4.556 4.340 -0.032 0.000 0.284 14 R C 0.984 176.670 176.300 -1.024 0.000 1.032 14 R CA 0.498 55.958 56.100 -1.067 0.000 1.049 14 R CB 0.410 30.273 30.300 -0.728 0.000 0.956 14 R HN 0.250 nan 8.270 nan 0.000 0.422 15 G N 1.594 109.352 108.800 -1.737 0.000 3.502 15 G HA2 -0.074 3.866 3.960 -0.032 0.000 0.267 15 G HA3 -0.074 3.866 3.960 -0.032 0.000 0.267 15 G C 0.323 174.967 174.900 -0.426 0.000 1.090 15 G CA -0.294 44.329 45.100 -0.795 0.000 0.795 15 G HN 0.710 nan 8.290 nan 0.000 0.535 16 D N -0.041 120.084 120.400 -0.458 0.000 2.398 16 D HA 0.064 4.684 4.640 -0.032 0.000 0.210 16 D C 0.917 177.170 176.300 -0.077 0.000 1.094 16 D CA -0.282 53.670 54.000 -0.079 0.000 0.839 16 D CB 0.391 41.253 40.800 0.103 0.000 0.963 16 D HN 0.519 nan 8.370 nan 0.000 0.506 17 R N -0.557 119.848 120.500 -0.158 0.000 2.629 17 R HA 0.521 4.842 4.340 -0.032 0.000 0.266 17 R C -1.634 174.559 176.300 -0.177 0.000 1.051 17 R CA -0.930 55.098 56.100 -0.121 0.000 0.895 17 R CB 0.956 31.198 30.300 -0.097 0.000 1.246 17 R HN -0.024 nan 8.270 nan 0.000 0.459 18 I N 3.266 123.707 120.570 -0.215 0.000 2.365 18 I HA 0.353 4.504 4.170 -0.032 0.000 0.291 18 I C -1.949 174.058 176.117 -0.183 0.000 1.004 18 I CA -2.287 58.840 61.300 -0.288 0.000 1.311 18 I CB 1.612 39.250 38.000 -0.603 0.000 1.401 18 I HN 0.607 nan 8.210 nan 0.000 0.491 19 P HA 0.086 nan 4.420 nan 0.000 0.265 19 P C -0.118 177.116 177.300 -0.111 0.000 1.193 19 P CA -0.119 62.920 63.100 -0.102 0.000 0.765 19 P CB 0.494 32.155 31.700 -0.066 0.000 0.823 20 D N 2.289 122.627 120.400 -0.102 0.000 2.190 20 D HA -0.197 4.424 4.640 -0.032 0.000 0.200 20 D C 1.891 178.126 176.300 -0.108 0.000 0.992 20 D CA 1.796 55.743 54.000 -0.088 0.000 0.854 20 D CB -0.510 40.246 40.800 -0.073 0.000 0.936 20 D HN 0.426 nan 8.370 nan 0.000 0.462 21 A N 0.584 123.295 122.820 -0.181 0.000 1.986 21 A HA -0.192 4.109 4.320 -0.032 0.000 0.220 21 A C 2.522 180.018 177.584 -0.146 0.000 1.171 21 A CA 1.345 53.229 52.037 -0.255 0.000 0.640 21 A CB -0.681 17.964 19.000 -0.592 0.000 0.811 21 A HN 0.185 nan 8.150 nan 0.000 0.451 22 V N -0.404 119.474 119.914 -0.061 0.000 2.295 22 V HA -0.249 3.852 4.120 -0.032 0.000 0.246 22 V C 3.032 179.148 176.094 0.038 0.000 1.049 22 V CA 2.002 64.334 62.300 0.052 0.000 1.024 22 V CB -1.241 30.613 31.823 0.052 0.000 0.648 22 V HN 0.621 nan 8.190 nan 0.000 0.447 23 A N -0.199 122.627 122.820 0.011 0.000 1.969 23 A HA -0.153 4.148 4.320 -0.032 0.000 0.218 23 A C 2.312 179.910 177.584 0.022 0.000 1.169 23 A CA 2.066 54.122 52.037 0.031 0.000 0.635 23 A CB -0.690 18.327 19.000 0.028 0.000 0.810 23 A HN 0.626 nan 8.150 nan 0.000 0.445 24 E N -0.207 119.990 120.200 -0.005 0.000 2.031 24 E HA -0.140 4.191 4.350 -0.032 0.000 0.193 24 E C 1.870 178.476 176.600 0.009 0.000 0.994 24 E CA 1.618 58.012 56.400 -0.009 0.000 0.800 24 E CB -0.871 28.804 29.700 -0.042 0.000 0.752 24 E HN 0.415 nan 8.360 nan 0.000 0.447 25 L N 0.296 121.529 121.223 0.017 0.000 2.012 25 L HA -0.098 4.223 4.340 -0.032 0.000 0.210 25 L C 2.747 179.653 176.870 0.061 0.000 1.073 25 L CA 2.335 57.206 54.840 0.052 0.000 0.748 25 L CB -0.513 41.607 42.059 0.102 0.000 0.891 25 L HN 0.393 nan 8.230 nan 0.000 0.431 26 R N -1.258 119.282 120.500 0.066 0.000 2.081 26 R HA -0.164 4.157 4.340 -0.032 0.000 0.235 26 R C 2.078 178.413 176.300 0.057 0.000 1.131 26 R CA 1.952 58.095 56.100 0.071 0.000 0.960 26 R CB -0.252 30.100 30.300 0.086 0.000 0.856 26 R HN 0.341 nan 8.270 nan 0.000 0.436 27 T N -0.150 114.433 114.554 0.048 0.000 2.737 27 T HA -0.097 4.234 4.350 -0.032 0.000 0.265 27 T C 2.218 176.938 174.700 0.034 0.000 1.038 27 T CA 2.019 64.142 62.100 0.039 0.000 1.144 27 T CB -0.168 68.719 68.868 0.032 0.000 0.866 27 T HN 0.475 nan 8.240 nan 0.000 0.434 28 R N 0.790 121.310 120.500 0.033 0.000 2.128 28 R HA 0.513 4.834 4.340 -0.032 0.000 0.211 28 R C 1.295 177.618 176.300 0.038 0.000 1.067 28 R CA 1.480 57.598 56.100 0.030 0.000 1.010 28 R CB -0.657 29.658 30.300 0.025 0.000 0.922 28 R HN 0.563 nan 8.270 nan 0.000 0.457 29 E N 0.832 121.061 120.200 0.048 0.000 3.191 29 E HA 0.336 4.667 4.350 -0.032 0.000 0.303 29 E C -2.487 174.155 176.600 0.070 0.000 1.197 29 E CA -0.490 55.946 56.400 0.060 0.000 0.901 29 E CB 1.139 30.883 29.700 0.074 0.000 1.446 29 E HN 0.305 nan 8.360 nan 0.000 0.385 30 P HA 0.092 nan 4.420 nan 0.000 0.231 30 P C 0.488 177.819 177.300 0.052 0.000 1.158 30 P CA 0.604 63.737 63.100 0.054 0.000 0.763 30 P CB 0.226 31.951 31.700 0.041 0.000 0.805 31 I N -0.026 120.578 120.570 0.058 0.000 2.478 31 I HA 0.467 4.618 4.170 -0.032 0.000 0.287 31 I C -0.932 175.298 176.117 0.189 0.000 1.042 31 I CA -1.276 60.075 61.300 0.086 0.000 1.067 31 I CB 1.531 39.517 38.000 -0.024 0.000 1.233 31 I HN -0.179 nan 8.210 nan 0.000 0.431 32 R N 4.741 125.426 120.500 0.309 0.000 2.710 32 R HA 0.550 4.871 4.340 -0.032 0.000 0.270 32 R C -1.763 174.718 176.300 0.302 0.000 1.021 32 R CA -1.144 55.169 56.100 0.354 0.000 0.889 32 R CB 1.178 31.596 30.300 0.197 0.000 1.243 32 R HN 0.357 nan 8.270 nan 0.000 0.464 33 K N 1.145 121.609 120.400 0.106 0.000 2.270 33 K HA 0.426 4.727 4.320 -0.032 0.000 0.276 33 K C -0.583 175.941 176.600 -0.127 0.000 1.023 33 K CA -0.086 56.034 56.287 -0.279 0.000 0.955 33 K CB 1.335 33.550 32.500 -0.475 0.000 0.975 33 K HN 0.584 nan 8.250 nan 0.000 0.471 34 V N 0.343 120.161 119.914 -0.160 0.000 3.181 34 V HA 0.637 4.738 4.120 -0.032 0.000 0.308 34 V C -1.200 174.828 176.094 -0.110 0.000 1.214 34 V CA -1.194 61.059 62.300 -0.078 0.000 1.053 34 V CB 1.919 33.725 31.823 -0.028 0.000 1.069 34 V HN 0.776 nan 8.190 nan 0.000 0.441 35 R N 1.249 121.709 120.500 -0.066 0.000 2.445 35 R HA 0.669 4.990 4.340 -0.032 0.000 0.308 35 R C 0.170 176.437 176.300 -0.055 0.000 0.961 35 R CA 0.262 56.322 56.100 -0.067 0.000 0.862 35 R CB 1.740 32.010 30.300 -0.049 0.000 1.144 35 R HN 1.182 nan 8.270 nan 0.000 0.447 36 T N 1.010 115.527 114.554 -0.062 0.000 2.810 36 T HA 0.166 4.497 4.350 -0.032 0.000 0.277 36 T C 1.810 176.486 174.700 -0.039 0.000 0.973 36 T CA -0.632 61.436 62.100 -0.054 0.000 0.949 36 T CB 0.544 69.378 68.868 -0.057 0.000 1.075 36 T HN 0.683 nan 8.240 nan 0.000 0.537 37 I N -1.147 119.403 120.570 -0.035 0.000 2.567 37 I HA -0.035 4.116 4.170 -0.032 0.000 0.257 37 I C 2.179 178.282 176.117 -0.025 0.000 1.184 37 I CA 1.474 62.760 61.300 -0.024 0.000 1.451 37 I CB -1.195 36.794 38.000 -0.018 0.000 1.089 37 I HN 0.827 nan 8.210 nan 0.000 0.441 38 T N -2.037 112.498 114.554 -0.031 0.000 3.085 38 T HA 0.328 4.659 4.350 -0.032 0.000 0.263 38 T C 1.667 176.349 174.700 -0.030 0.000 1.127 38 T CA 0.688 62.770 62.100 -0.030 0.000 1.103 38 T CB 0.091 68.939 68.868 -0.034 0.000 0.921 38 T HN 0.741 nan 8.240 nan 0.000 0.510 39 G N 1.069 109.849 108.800 -0.033 0.000 2.213 39 G HA2 -0.036 3.904 3.960 -0.032 0.000 0.236 39 G HA3 -0.036 3.904 3.960 -0.032 0.000 0.236 39 G C 0.369 175.243 174.900 -0.045 0.000 0.991 39 G CA -0.103 44.977 45.100 -0.034 0.000 0.629 39 G HN 1.176 nan 8.290 nan 0.000 0.517 40 A N 0.310 123.101 122.820 -0.049 0.000 2.425 40 A HA 0.595 4.896 4.320 -0.032 0.000 0.242 40 A C 0.444 177.977 177.584 -0.085 0.000 1.077 40 A CA 0.465 52.466 52.037 -0.060 0.000 0.781 40 A CB 0.254 19.223 19.000 -0.052 0.000 1.020 40 A HN 0.526 nan 8.150 nan 0.000 0.494 41 E N -0.268 119.864 120.200 -0.113 0.000 2.319 41 E HA 0.570 4.901 4.350 -0.032 0.000 0.268 41 E C -0.102 176.373 176.600 -0.209 0.000 1.050 41 E CA -0.041 56.251 56.400 -0.180 0.000 0.878 41 E CB 1.504 31.070 29.700 -0.224 0.000 1.066 41 E HN 0.849 nan 8.360 nan 0.000 0.406 42 A N 1.954 124.604 122.820 -0.282 0.000 2.609 42 A HA 0.473 4.774 4.320 -0.032 0.000 0.291 42 A C -2.068 175.301 177.584 -0.359 0.000 1.096 42 A CA -0.833 51.048 52.037 -0.259 0.000 0.684 42 A CB 0.741 19.674 19.000 -0.111 0.000 1.282 42 A HN 0.622 nan 8.150 nan 0.000 0.412 43 W N 0.809 122.103 121.300 -0.011 0.000 2.316 43 W HA 0.543 5.197 4.660 -0.009 0.000 0.308 43 W C -0.172 176.324 176.519 -0.039 0.000 1.106 43 W CA -0.231 57.103 57.345 -0.017 0.000 1.262 43 W CB 1.413 30.864 29.460 -0.014 0.000 1.233 43 W HN 0.518 nan 8.180 nan 0.000 0.447 44 L N 5.740 127.070 121.223 0.179 0.000 2.260 44 L HA 0.482 4.802 4.340 -0.032 0.000 0.289 44 L C -0.516 176.410 176.870 0.093 0.000 1.057 44 L CA -0.414 54.477 54.840 0.086 0.000 0.811 44 L CB 0.572 42.657 42.059 0.043 0.000 1.184 44 L HN 0.175 nan 8.230 nan 0.000 0.429 45 V N 4.727 124.662 119.914 0.035 0.000 2.370 45 V HA 0.421 4.522 4.120 -0.032 0.000 0.283 45 V C 0.619 176.718 176.094 0.008 0.000 1.023 45 V CA 0.297 62.600 62.300 0.007 0.000 0.857 45 V CB 1.146 32.934 31.823 -0.059 0.000 0.985 45 V HN 0.941 nan 8.190 nan 0.000 0.443 46 S N 1.222 116.942 115.700 0.033 0.000 2.733 46 S HA 0.173 4.624 4.470 -0.032 0.000 0.247 46 S C 0.572 175.216 174.600 0.072 0.000 1.043 46 S CA 0.099 58.333 58.200 0.057 0.000 1.066 46 S CB 0.380 63.633 63.200 0.088 0.000 1.045 46 S HN 0.780 nan 8.310 nan 0.000 0.586 47 S N 0.318 116.052 115.700 0.056 0.000 2.651 47 S HA 0.548 4.999 4.470 -0.032 0.000 0.291 47 S C 0.505 175.155 174.600 0.083 0.000 1.141 47 S CA -0.673 57.579 58.200 0.086 0.000 1.027 47 S CB 0.777 64.021 63.200 0.074 0.000 1.043 47 S HN 0.216 nan 8.310 nan 0.000 0.530 48 Y N 2.066 122.367 120.300 0.001 0.000 2.181 48 Y HA -0.057 4.474 4.550 -0.031 0.000 0.288 48 Y C 2.493 178.346 175.900 -0.078 0.000 1.146 48 Y CA 2.140 60.203 58.100 -0.061 0.000 1.164 48 Y CB -0.941 37.436 38.460 -0.139 0.000 0.982 48 Y HN 0.881 nan 8.280 nan 0.000 0.515 49 A N 0.146 123.053 122.820 0.145 0.000 1.877 49 A HA -0.163 4.138 4.320 -0.032 0.000 0.216 49 A C 2.257 179.826 177.584 -0.026 0.000 1.186 49 A CA 1.985 54.067 52.037 0.074 0.000 0.620 49 A CB -1.087 17.962 19.000 0.081 0.000 0.822 49 A HN 0.534 nan 8.150 nan 0.000 0.443 50 L N -1.155 120.048 121.223 -0.033 0.000 2.179 50 L HA -0.150 4.171 4.340 -0.032 0.000 0.208 50 L C 2.661 179.459 176.870 -0.119 0.000 1.096 50 L CA 0.712 55.513 54.840 -0.066 0.000 0.779 50 L CB -0.664 41.363 42.059 -0.053 0.000 0.922 50 L HN 0.467 nan 8.230 nan 0.000 0.443 51 C N -0.318 118.901 119.300 -0.135 0.000 2.429 51 C HA -0.159 4.282 4.460 -0.032 0.000 0.277 51 C C 2.981 177.846 174.990 -0.208 0.000 1.262 51 C CA 1.425 60.339 59.018 -0.174 0.000 1.733 51 C CB -0.765 26.868 27.740 -0.180 0.000 2.010 51 C HN 0.506 nan 8.230 nan 0.000 0.483 52 T N 0.117 114.506 114.554 -0.276 0.000 2.720 52 T HA -0.268 4.062 4.350 -0.032 0.000 0.268 52 T C 1.859 176.492 174.700 -0.112 0.000 1.037 52 T CA 1.799 63.761 62.100 -0.231 0.000 1.144 52 T CB -0.415 68.279 68.868 -0.290 0.000 0.864 52 T HN 0.676 nan 8.240 nan 0.000 0.444 53 Q N 0.441 120.190 119.800 -0.085 0.000 2.061 53 Q HA -0.145 4.176 4.340 -0.032 0.000 0.204 53 Q C 2.360 178.354 176.000 -0.010 0.000 0.984 53 Q CA 1.657 57.444 55.803 -0.027 0.000 0.846 53 Q CB -0.268 28.462 28.738 -0.014 0.000 0.902 53 Q HN 0.376 nan 8.270 nan 0.000 0.421 54 V N 1.126 120.964 119.914 -0.126 0.000 2.295 54 V HA -0.280 3.821 4.120 -0.032 0.000 0.246 54 V C 2.376 178.444 176.094 -0.042 0.000 1.049 54 V CA 1.661 63.808 62.300 -0.254 0.000 1.024 54 V CB -0.513 30.994 31.823 -0.527 0.000 0.648 54 V HN 0.403 nan 8.190 nan 0.000 0.447 55 L N -0.392 120.800 121.223 -0.052 0.000 2.275 55 L HA -0.101 4.220 4.340 -0.032 0.000 0.215 55 L C 2.218 179.121 176.870 0.055 0.000 1.119 55 L CA 1.273 56.118 54.840 0.009 0.000 0.790 55 L CB -0.449 41.597 42.059 -0.020 0.000 0.919 55 L HN 0.415 nan 8.230 nan 0.000 0.443 56 E N -0.884 119.341 120.200 0.042 0.000 2.479 56 E HA -0.035 4.296 4.350 -0.032 0.000 0.193 56 E C -0.073 176.572 176.600 0.076 0.000 1.049 56 E CA -0.062 56.365 56.400 0.046 0.000 0.870 56 E CB 0.279 29.988 29.700 0.016 0.000 0.944 56 E HN 0.188 nan 8.360 nan 0.000 0.492 57 D N 0.596 121.081 120.400 0.141 0.000 2.441 57 D HA 0.124 4.744 4.640 -0.032 0.000 0.231 57 D C 0.578 176.973 176.300 0.158 0.000 1.073 57 D CA -0.387 53.703 54.000 0.150 0.000 0.850 57 D CB 0.650 41.584 40.800 0.224 0.000 1.062 57 D HN -0.159 nan 8.370 nan 0.000 0.524 58 R N 2.221 122.770 120.500 0.082 0.000 2.285 58 R HA 0.022 4.343 4.340 -0.032 0.000 0.213 58 R C 1.599 177.923 176.300 0.038 0.000 1.068 58 R CA 0.559 56.707 56.100 0.080 0.000 1.004 58 R CB 0.295 30.623 30.300 0.047 0.000 0.873 58 R HN 0.355 nan 8.270 nan 0.000 0.467 59 R N -0.166 120.307 120.500 -0.046 0.000 2.241 59 R HA -0.064 4.257 4.340 -0.032 0.000 0.224 59 R C -0.075 176.079 176.300 -0.243 0.000 1.101 59 R CA 0.653 56.652 56.100 -0.168 0.000 0.995 59 R CB -0.036 30.104 30.300 -0.266 0.000 0.870 59 R HN 0.024 nan 8.270 nan 0.000 0.463 60 F N 0.941 120.906 119.950 0.024 0.000 2.423 60 F HA 0.152 4.657 4.527 -0.037 0.000 0.356 60 F C 0.555 176.380 175.800 0.041 0.000 1.170 60 F CA -0.394 57.624 58.000 0.029 0.000 1.163 60 F CB 0.926 39.940 39.000 0.023 0.000 1.318 60 F HN -0.207 nan 8.300 nan 0.000 0.569 61 S N 4.728 120.530 115.700 0.170 0.000 2.480 61 S HA 0.273 4.724 4.470 -0.032 0.000 0.286 61 S C 1.172 175.819 174.600 0.078 0.000 1.180 61 S CA -0.776 57.495 58.200 0.117 0.000 1.075 61 S CB 0.799 64.040 63.200 0.070 0.000 0.996 61 S HN 0.830 nan 8.310 nan 0.000 0.487 62 M N 5.641 125.264 119.600 0.038 0.000 2.098 62 M HA -0.063 4.398 4.480 -0.032 0.000 0.262 62 M C 2.130 178.399 176.300 -0.051 0.000 1.072 62 M CA 1.844 57.089 55.300 -0.093 0.000 1.133 62 M CB -0.421 31.924 32.600 -0.425 0.000 1.344 62 M HN 0.853 nan 8.290 nan 0.000 0.414 63 K N -0.695 119.701 120.400 -0.007 0.000 2.097 63 K HA -0.154 4.146 4.320 -0.032 0.000 0.206 63 K C 1.296 177.897 176.600 0.001 0.000 1.049 63 K CA 1.498 57.787 56.287 0.002 0.000 0.933 63 K CB -0.550 31.971 32.500 0.035 0.000 0.717 63 K HN 0.346 nan 8.250 nan 0.000 0.442 64 E N 1.300 121.507 120.200 0.013 0.000 2.347 64 E HA -0.097 4.233 4.350 -0.032 0.000 0.196 64 E C 2.028 178.631 176.600 0.005 0.000 1.008 64 E CA 1.530 57.936 56.400 0.011 0.000 0.852 64 E CB -0.336 29.375 29.700 0.020 0.000 0.783 64 E HN 0.674 nan 8.360 nan 0.000 0.505 65 T N -1.251 113.303 114.554 -0.000 0.000 2.897 65 T HA -0.083 4.248 4.350 -0.032 0.000 0.271 65 T C 1.838 176.523 174.700 -0.024 0.000 1.084 65 T CA 1.204 63.298 62.100 -0.010 0.000 1.123 65 T CB -0.114 68.742 68.868 -0.020 0.000 0.865 65 T HN 0.117 nan 8.240 nan 0.000 0.496 66 A N 1.069 123.872 122.820 -0.029 0.000 2.238 66 A HA 0.697 4.998 4.320 -0.032 0.000 0.208 66 A C 1.474 179.040 177.584 -0.030 0.000 1.177 66 A CA 0.250 52.264 52.037 -0.038 0.000 0.804 66 A CB -0.805 18.168 19.000 -0.045 0.000 0.823 66 A HN 0.828 nan 8.150 nan 0.000 0.482 67 A N 0.423 123.232 122.820 -0.018 0.000 2.511 67 A HA 0.511 4.812 4.320 -0.032 0.000 0.242 67 A C 0.881 178.454 177.584 -0.017 0.000 1.069 67 A CA 0.186 52.215 52.037 -0.013 0.000 0.763 67 A CB -0.316 18.681 19.000 -0.005 0.000 1.001 67 A HN 1.387 nan 8.150 nan 0.000 0.498 68 A N 1.772 124.582 122.820 -0.017 0.000 2.540 68 A HA 0.472 4.773 4.320 -0.032 0.000 0.239 68 A C 1.691 179.267 177.584 -0.013 0.000 1.061 68 A CA 0.845 52.871 52.037 -0.017 0.000 0.758 68 A CB -0.656 18.335 19.000 -0.016 0.000 0.991 68 A HN 2.772 nan 8.150 nan 0.000 0.502 69 G N 0.614 109.405 108.800 -0.015 0.000 2.199 69 G HA2 0.125 4.065 3.960 -0.032 0.000 0.254 69 G HA3 0.125 4.065 3.960 -0.032 0.000 0.254 69 G C 0.664 175.558 174.900 -0.010 0.000 0.982 69 G CA 0.586 45.679 45.100 -0.012 0.000 0.632 69 G HN 2.221 nan 8.290 nan 0.000 0.529 70 A N 1.230 124.044 122.820 -0.010 0.000 2.366 70 A HA 0.646 4.947 4.320 -0.032 0.000 0.249 70 A C -1.073 176.504 177.584 -0.011 0.000 1.084 70 A CA -0.297 51.737 52.037 -0.006 0.000 0.794 70 A CB 0.104 19.102 19.000 -0.003 0.000 1.034 70 A HN 0.355 nan 8.150 nan 0.000 0.491 71 P HA 0.220 nan 4.420 nan 0.000 0.271 71 P C -0.847 176.440 177.300 -0.022 0.000 1.220 71 P CA 0.226 63.314 63.100 -0.020 0.000 0.768 71 P CB 0.487 32.174 31.700 -0.021 0.000 0.848 72 R N 2.180 122.662 120.500 -0.031 0.000 2.514 72 R HA 0.264 4.585 4.340 -0.032 0.000 0.301 72 R C 1.101 177.377 176.300 -0.040 0.000 0.962 72 R CA -0.961 55.119 56.100 -0.035 0.000 0.882 72 R CB 1.590 31.866 30.300 -0.039 0.000 1.143 72 R HN 0.314 nan 8.270 nan 0.000 0.452 73 L N 2.640 123.839 121.223 -0.040 0.000 2.027 73 L HA -0.077 4.244 4.340 -0.032 0.000 0.206 73 L C 0.277 177.119 176.870 -0.046 0.000 1.074 73 L CA 1.860 56.673 54.840 -0.044 0.000 0.745 73 L CB -0.286 41.748 42.059 -0.042 0.000 0.898 73 L HN 0.854 nan 8.230 nan 0.000 0.433 74 N N -2.308 116.362 118.700 -0.050 0.000 3.020 74 N HA 0.474 5.195 4.740 -0.032 0.000 0.248 74 N C -1.137 174.336 175.510 -0.062 0.000 1.480 74 N CA -0.457 52.561 53.050 -0.053 0.000 0.874 74 N CB 1.118 39.570 38.487 -0.058 0.000 1.433 74 N HN 0.108 nan 8.380 nan 0.000 0.530 75 A N 0.785 123.566 122.820 -0.065 0.000 2.388 75 A HA 0.394 4.695 4.320 -0.032 0.000 0.257 75 A C 0.443 177.966 177.584 -0.102 0.000 1.095 75 A CA -0.524 51.469 52.037 -0.074 0.000 0.791 75 A CB -0.059 18.902 19.000 -0.065 0.000 1.029 75 A HN 0.555 nan 8.150 nan 0.000 0.489 76 L N 1.690 122.845 121.223 -0.112 0.000 2.490 76 L HA 0.099 4.420 4.340 -0.032 0.000 0.274 76 L C 1.624 178.383 176.870 -0.184 0.000 1.201 76 L CA 0.567 55.315 54.840 -0.152 0.000 0.869 76 L CB 0.607 42.575 42.059 -0.152 0.000 1.123 76 L HN 0.981 nan 8.230 nan 0.000 0.484 77 T N -1.048 113.361 114.554 -0.243 0.000 3.054 77 T HA 0.302 4.633 4.350 -0.032 0.000 0.255 77 T C 0.056 174.508 174.700 -0.414 0.000 1.035 77 T CA -0.105 61.830 62.100 -0.275 0.000 0.941 77 T CB -0.026 68.674 68.868 -0.279 0.000 1.026 77 T HN 0.372 nan 8.240 nan 0.000 0.533 78 V N -2.739 116.883 119.914 -0.486 0.000 3.102 78 V HA 0.796 4.896 4.120 -0.032 0.000 0.312 78 V C -3.186 172.586 176.094 -0.537 0.000 1.135 78 V CA -3.168 58.664 62.300 -0.781 0.000 1.022 78 V CB 1.221 32.592 31.823 -0.753 0.000 1.056 78 V HN -0.155 nan 8.190 nan 0.000 0.436 79 P HA 0.251 nan 4.420 nan 0.000 0.266 79 P C -2.112 175.077 177.300 -0.185 0.000 1.195 79 P CA -1.011 61.931 63.100 -0.263 0.000 0.768 79 P CB 0.060 31.667 31.700 -0.155 0.000 0.838 80 P HA -0.222 nan 4.420 nan 0.000 0.216 80 P C 1.205 178.469 177.300 -0.061 0.000 1.150 80 P CA 1.563 64.610 63.100 -0.088 0.000 0.843 80 P CB -0.116 31.547 31.700 -0.062 0.000 0.787 81 E N 0.311 120.488 120.200 -0.039 0.000 2.268 81 E HA -0.079 4.252 4.350 -0.032 0.000 0.195 81 E C 1.770 178.371 176.600 0.001 0.000 0.995 81 E CA 0.969 57.364 56.400 -0.008 0.000 0.836 81 E CB -1.376 28.332 29.700 0.013 0.000 0.763 81 E HN 0.115 nan 8.360 nan 0.000 0.491 82 V N 1.588 121.489 119.914 -0.022 0.000 2.913 82 V HA -0.161 3.939 4.120 -0.032 0.000 0.260 82 V C 2.558 178.639 176.094 -0.022 0.000 1.098 82 V CA 1.028 63.326 62.300 -0.005 0.000 1.121 82 V CB -0.254 31.540 31.823 -0.049 0.000 0.714 82 V HN 0.109 nan 8.190 nan 0.000 0.487 83 V N 0.599 120.481 119.914 -0.053 0.000 2.490 83 V HA -0.201 3.900 4.120 -0.032 0.000 0.250 83 V C 1.892 177.974 176.094 -0.020 0.000 1.061 83 V CA 2.104 64.372 62.300 -0.053 0.000 1.064 83 V CB -0.775 31.007 31.823 -0.067 0.000 0.670 83 V HN 0.641 nan 8.190 nan 0.000 0.461 84 N N 0.346 119.052 118.700 0.010 0.000 2.346 84 N HA 0.018 4.738 4.740 -0.032 0.000 0.225 84 N C 1.337 176.895 175.510 0.081 0.000 1.144 84 N CA 0.112 53.191 53.050 0.050 0.000 0.837 84 N CB -0.733 37.783 38.487 0.048 0.000 1.069 84 N HN 0.467 nan 8.380 nan 0.000 0.487 85 N N -0.002 118.749 118.700 0.086 0.000 2.036 85 N HA -0.233 4.487 4.740 -0.032 0.000 0.199 85 N C 1.337 176.939 175.510 0.155 0.000 1.036 85 N CA 1.330 54.456 53.050 0.128 0.000 0.870 85 N CB 0.068 38.644 38.487 0.149 0.000 1.055 85 N HN 0.244 nan 8.380 nan 0.000 0.436 86 M N 0.561 120.267 119.600 0.178 0.000 2.108 86 M HA -0.074 4.387 4.480 -0.032 0.000 0.261 86 M C 2.372 178.756 176.300 0.140 0.000 1.066 86 M CA 1.342 56.757 55.300 0.190 0.000 1.107 86 M CB -1.785 30.947 32.600 0.219 0.000 1.356 86 M HN 0.296 nan 8.290 nan 0.000 0.406 87 G N 0.517 109.399 108.800 0.137 0.000 2.440 87 G HA2 -0.249 3.692 3.960 -0.032 0.000 0.218 87 G HA3 -0.249 3.692 3.960 -0.032 0.000 0.218 87 G C 1.413 176.356 174.900 0.071 0.000 1.154 87 G CA 0.887 46.045 45.100 0.098 0.000 0.767 87 G HN 0.424 nan 8.290 nan 0.000 0.552 88 N N 0.714 119.457 118.700 0.071 0.000 2.188 88 N HA -0.041 4.680 4.740 -0.032 0.000 0.184 88 N C 2.221 177.750 175.510 0.032 0.000 1.018 88 N CA 0.769 53.847 53.050 0.047 0.000 0.858 88 N CB -0.252 38.263 38.487 0.046 0.000 0.989 88 N HN 0.365 nan 8.380 nan 0.000 0.426 89 I N 1.200 121.800 120.570 0.050 0.000 2.179 89 I HA -0.241 3.910 4.170 -0.032 0.000 0.242 89 I C 2.360 178.498 176.117 0.036 0.000 1.088 89 I CA 1.067 62.386 61.300 0.031 0.000 1.357 89 I CB -0.325 37.715 38.000 0.068 0.000 1.051 89 I HN 0.060 nan 8.210 nan 0.000 0.409 90 A N 0.552 123.403 122.820 0.053 0.000 1.883 90 A HA -0.253 4.048 4.320 -0.032 0.000 0.217 90 A C 1.957 179.566 177.584 0.043 0.000 1.186 90 A CA 2.181 54.247 52.037 0.049 0.000 0.624 90 A CB -0.664 18.364 19.000 0.047 0.000 0.822 90 A HN 0.351 nan 8.150 nan 0.000 0.444 91 D N -0.028 120.394 120.400 0.036 0.000 2.178 91 D HA -0.020 4.601 4.640 -0.032 0.000 0.201 91 D C 1.934 178.253 176.300 0.031 0.000 0.980 91 D CA 1.373 55.390 54.000 0.029 0.000 0.842 91 D CB -0.308 40.506 40.800 0.025 0.000 0.948 91 D HN 0.449 nan 8.370 nan 0.000 0.472 92 A N -0.175 122.664 122.820 0.032 0.000 2.206 92 A HA 0.350 4.651 4.320 -0.032 0.000 0.211 92 A C 1.738 179.399 177.584 0.129 0.000 1.158 92 A CA 1.034 53.100 52.037 0.048 0.000 0.761 92 A CB -0.332 18.656 19.000 -0.020 0.000 0.801 92 A HN 0.236 nan 8.150 nan 0.000 0.473 93 G N -1.075 107.793 108.800 0.113 0.000 2.176 93 G HA2 -0.237 3.703 3.960 -0.032 0.000 0.252 93 G HA3 -0.237 3.703 3.960 -0.032 0.000 0.252 93 G C 0.480 175.519 174.900 0.231 0.000 1.024 93 G CA 0.543 45.742 45.100 0.166 0.000 0.755 93 G HN 0.525 nan 8.290 nan 0.000 0.507 94 L N -1.360 119.934 121.223 0.117 0.000 2.693 94 L HA 0.248 4.569 4.340 -0.032 0.000 0.235 94 L C 3.035 179.910 176.870 0.008 0.000 1.127 94 L CA 0.737 55.597 54.840 0.033 0.000 0.914 94 L CB -0.391 41.644 42.059 -0.040 0.000 1.193 94 L HN 0.378 nan 8.230 nan 0.000 0.502 95 R N 1.263 121.784 120.500 0.034 0.000 2.080 95 R HA -0.212 4.109 4.340 -0.032 0.000 0.236 95 R C 2.480 178.794 176.300 0.024 0.000 1.137 95 R CA 2.334 58.455 56.100 0.034 0.000 0.943 95 R CB -1.495 28.835 30.300 0.050 0.000 0.846 95 R HN 0.390 nan 8.270 nan 0.000 0.431 96 K N 0.304 120.722 120.400 0.030 0.000 2.097 96 K HA 0.262 4.562 4.320 -0.032 0.000 0.206 96 K C 2.669 179.273 176.600 0.006 0.000 1.049 96 K CA 1.926 58.227 56.287 0.024 0.000 0.933 96 K CB -1.104 31.415 32.500 0.031 0.000 0.717 96 K HN 0.877 nan 8.250 nan 0.000 0.442 97 A N 0.519 123.334 122.820 -0.008 0.000 1.898 97 A HA 0.068 4.369 4.320 -0.032 0.000 0.216 97 A C 2.592 180.141 177.584 -0.057 0.000 1.181 97 A CA 1.611 53.627 52.037 -0.036 0.000 0.620 97 A CB -0.441 18.520 19.000 -0.065 0.000 0.819 97 A HN 0.287 nan 8.150 nan 0.000 0.442 98 V N 0.205 120.072 119.914 -0.078 0.000 2.255 98 V HA -0.332 3.768 4.120 -0.032 0.000 0.247 98 V C 2.720 178.769 176.094 -0.075 0.000 1.051 98 V CA 2.156 64.369 62.300 -0.144 0.000 1.018 98 V CB -0.719 30.955 31.823 -0.248 0.000 0.641 98 V HN 0.503 nan 8.190 nan 0.000 0.445 99 M N 0.381 119.975 119.600 -0.010 0.000 2.073 99 M HA -0.246 4.214 4.480 -0.032 0.000 0.258 99 M C 2.510 178.820 176.300 0.017 0.000 1.070 99 M CA 2.853 58.172 55.300 0.031 0.000 1.103 99 M CB -1.533 31.093 32.600 0.042 0.000 1.321 99 M HN 0.525 nan 8.290 nan 0.000 0.405 100 K N 0.008 120.409 120.400 0.002 0.000 2.097 100 K HA 0.098 4.398 4.320 -0.032 0.000 0.206 100 K C 2.158 178.754 176.600 -0.007 0.000 1.049 100 K CA 1.770 58.056 56.287 -0.001 0.000 0.933 100 K CB -1.418 31.079 32.500 -0.004 0.000 0.717 100 K HN 0.535 nan 8.250 nan 0.000 0.442 101 A N 1.006 123.814 122.820 -0.020 0.000 2.119 101 A HA 0.194 4.494 4.320 -0.032 0.000 0.217 101 A C 1.981 179.560 177.584 -0.009 0.000 1.153 101 A CA 1.249 53.271 52.037 -0.025 0.000 0.692 101 A CB -0.453 18.520 19.000 -0.046 0.000 0.799 101 A HN 0.897 nan 8.150 nan 0.000 0.458 102 I N -3.786 116.792 120.570 0.013 0.000 3.914 102 I HA 0.244 4.394 4.170 -0.032 0.000 0.333 102 I C 0.507 176.643 176.117 0.032 0.000 1.449 102 I CA -0.220 61.105 61.300 0.042 0.000 1.135 102 I CB -0.064 38.010 38.000 0.123 0.000 1.073 102 I HN -0.007 nan 8.210 nan 0.000 0.401 103 T N 2.541 117.106 114.554 0.018 0.000 2.899 103 T HA 0.322 4.653 4.350 -0.032 0.000 0.295 103 T C -1.066 173.641 174.700 0.011 0.000 1.033 103 T CA -1.197 60.912 62.100 0.015 0.000 1.084 103 T CB 1.017 69.893 68.868 0.013 0.000 0.979 103 T HN 0.198 nan 8.240 nan 0.000 0.532 104 P HA 0.150 nan 4.420 nan 0.000 0.231 104 P C 0.980 178.296 177.300 0.026 0.000 1.168 104 P CA 0.524 63.640 63.100 0.026 0.000 0.779 104 P CB -0.037 31.687 31.700 0.039 0.000 0.844 105 K N 0.215 120.627 120.400 0.020 0.000 2.525 105 K HA 0.357 4.658 4.320 -0.032 0.000 0.192 105 K C 1.346 177.954 176.600 0.013 0.000 1.029 105 K CA 0.705 57.003 56.287 0.019 0.000 1.029 105 K CB -1.167 31.343 32.500 0.017 0.000 0.814 105 K HN 0.371 nan 8.250 nan 0.000 0.503 110 E N 0.465 120.723 120.200 0.096 0.000 2.110 110 E HA -0.291 4.040 4.350 -0.032 0.000 0.193 110 E C 1.577 178.228 176.600 0.085 0.000 0.988 110 E CA 1.780 58.231 56.400 0.085 0.000 0.804 110 E CB 0.152 29.887 29.700 0.057 0.000 0.745 110 E HN 0.380 nan 8.360 nan 0.000 0.458 111 Q N 0.448 120.302 119.800 0.090 0.000 2.167 111 Q HA -0.140 4.181 4.340 -0.032 0.000 0.202 111 Q C 1.697 177.751 176.000 0.090 0.000 0.970 111 Q CA 1.030 56.877 55.803 0.072 0.000 0.855 111 Q CB -0.312 28.466 28.738 0.066 0.000 0.911 111 Q HN 0.320 nan 8.270 nan 0.000 0.438 112 F N -0.342 119.613 119.950 0.008 0.000 2.146 112 F HA -0.110 4.398 4.527 -0.032 0.000 0.298 112 F C 1.528 177.333 175.800 0.008 0.000 1.096 112 F CA 1.132 59.137 58.000 0.009 0.000 1.275 112 F CB -0.111 38.894 39.000 0.010 0.000 1.008 112 F HN 0.104 nan 8.300 nan 0.000 0.480 113 L N 0.459 121.725 121.223 0.072 0.000 1.989 113 L HA -0.290 4.030 4.340 -0.032 0.000 0.211 113 L C 3.133 179.933 176.870 -0.115 0.000 1.071 113 L CA 2.087 56.906 54.840 -0.035 0.000 0.749 113 L CB -1.074 41.018 42.059 0.054 0.000 0.890 113 L HN 0.225 nan 8.230 nan 0.000 0.431 114 R N -0.159 120.306 120.500 -0.058 0.000 2.073 114 R HA -0.208 4.113 4.340 -0.032 0.000 0.234 114 R C 1.826 178.075 176.300 -0.085 0.000 1.134 114 R CA 2.076 58.146 56.100 -0.050 0.000 0.952 114 R CB -1.626 28.664 30.300 -0.018 0.000 0.850 114 R HN 0.387 nan 8.270 nan 0.000 0.433 115 D N -0.256 120.075 120.400 -0.115 0.000 2.144 115 D HA -0.089 4.531 4.640 -0.032 0.000 0.199 115 D C 1.918 178.105 176.300 -0.188 0.000 0.984 115 D CA 1.982 55.905 54.000 -0.129 0.000 0.834 115 D CB -0.400 40.329 40.800 -0.119 0.000 0.955 115 D HN 0.481 nan 8.370 nan 0.000 0.465 116 T N 0.446 114.805 114.554 -0.324 0.000 2.737 116 T HA -0.064 4.267 4.350 -0.032 0.000 0.265 116 T C 2.021 176.632 174.700 -0.148 0.000 1.038 116 T CA 1.389 63.297 62.100 -0.320 0.000 1.144 116 T CB -0.291 68.258 68.868 -0.531 0.000 0.866 116 T HN 0.179 nan 8.240 nan 0.000 0.434 117 A N 2.697 125.455 122.820 -0.104 0.000 1.865 117 A HA -0.210 4.091 4.320 -0.032 0.000 0.217 117 A C 2.251 179.885 177.584 0.084 0.000 1.191 117 A CA 1.773 53.847 52.037 0.062 0.000 0.623 117 A CB -0.804 18.240 19.000 0.073 0.000 0.826 117 A HN 0.397 nan 8.150 nan 0.000 0.444 118 N N -0.119 118.578 118.700 -0.005 0.000 2.104 118 N HA -0.134 4.587 4.740 -0.032 0.000 0.190 118 N C 2.057 177.539 175.510 -0.046 0.000 1.024 118 N CA 1.577 54.605 53.050 -0.036 0.000 0.853 118 N CB -0.528 37.932 38.487 -0.045 0.000 1.008 118 N HN 0.515 nan 8.380 nan 0.000 0.424 119 S N 0.594 116.266 115.700 -0.047 0.000 2.368 119 S HA 0.041 4.492 4.470 -0.032 0.000 0.224 119 S C 2.057 176.639 174.600 -0.030 0.000 1.029 119 S CA 0.503 58.677 58.200 -0.044 0.000 0.988 119 S CB -0.201 62.967 63.200 -0.054 0.000 0.838 119 S HN 0.204 nan 8.310 nan 0.000 0.462 120 L N 0.949 122.172 121.223 0.001 0.000 2.012 120 L HA -0.135 4.186 4.340 -0.032 0.000 0.210 120 L C 2.519 179.378 176.870 -0.017 0.000 1.073 120 L CA 1.397 56.264 54.840 0.044 0.000 0.748 120 L CB -0.615 41.553 42.059 0.181 0.000 0.891 120 L HN 0.344 nan 8.230 nan 0.000 0.431 121 L N -0.661 120.516 121.223 -0.077 0.000 2.046 121 L HA -0.235 4.086 4.340 -0.032 0.000 0.208 121 L C 2.292 179.032 176.870 -0.218 0.000 1.077 121 L CA 1.124 55.810 54.840 -0.257 0.000 0.747 121 L CB -0.645 41.218 42.059 -0.326 0.000 0.896 121 L HN 0.277 nan 8.230 nan 0.000 0.432 122 D N -0.144 120.176 120.400 -0.133 0.000 2.144 122 D HA -0.157 4.464 4.640 -0.032 0.000 0.199 122 D C 1.965 178.221 176.300 -0.073 0.000 0.984 122 D CA 0.961 54.901 54.000 -0.101 0.000 0.834 122 D CB -0.308 40.454 40.800 -0.063 0.000 0.955 122 D HN 0.260 nan 8.370 nan 0.000 0.465 123 N N 0.445 119.110 118.700 -0.059 0.000 2.120 123 N HA -0.088 4.632 4.740 -0.032 0.000 0.188 123 N C 2.078 177.570 175.510 -0.030 0.000 1.024 123 N CA 0.417 53.447 53.050 -0.032 0.000 0.852 123 N CB -0.408 38.068 38.487 -0.020 0.000 1.003 123 N HN 0.269 nan 8.380 nan 0.000 0.424 124 L N 0.509 121.685 121.223 -0.077 0.000 2.017 124 L HA -0.092 4.229 4.340 -0.032 0.000 0.208 124 L C 2.167 179.038 176.870 0.001 0.000 1.073 124 L CA 0.937 55.734 54.840 -0.071 0.000 0.745 124 L CB -0.439 41.490 42.059 -0.215 0.000 0.894 124 L HN 0.098 nan 8.230 nan 0.000 0.432 125 I N -0.457 120.052 120.570 -0.102 0.000 2.208 125 I HA -0.291 3.859 4.170 -0.032 0.000 0.245 125 I C 2.536 178.739 176.117 0.143 0.000 1.097 125 I CA 1.572 62.907 61.300 0.058 0.000 1.363 125 I CB -0.491 37.457 38.000 -0.087 0.000 1.051 125 I HN 0.272 nan 8.210 nan 0.000 0.413 126 T N -0.008 114.581 114.554 0.058 0.000 2.746 126 T HA -0.199 4.132 4.350 -0.032 0.000 0.267 126 T C 1.743 176.484 174.700 0.068 0.000 1.039 126 T CA 1.446 63.578 62.100 0.053 0.000 1.142 126 T CB -0.231 68.650 68.868 0.022 0.000 0.866 126 T HN 0.396 nan 8.240 nan 0.000 0.444 127 E N 0.122 120.368 120.200 0.076 0.000 2.152 127 E HA 0.255 4.586 4.350 -0.032 0.000 0.192 127 E C 1.024 177.679 176.600 0.092 0.000 0.983 127 E CA 0.350 56.793 56.400 0.071 0.000 0.818 127 E CB -0.022 29.716 29.700 0.065 0.000 0.758 127 E HN 0.537 nan 8.360 nan 0.000 0.467 128 G N 0.429 109.331 108.800 0.170 0.000 2.692 128 G HA2 -0.018 3.923 3.960 -0.032 0.000 0.686 128 G HA3 -0.018 3.923 3.960 -0.032 0.000 0.686 128 G C -0.250 174.691 174.900 0.069 0.000 1.243 128 G CA -0.736 44.438 45.100 0.125 0.000 0.782 128 G HN 0.392 nan 8.290 nan 0.000 0.625 129 A N 2.442 125.104 122.820 -0.264 0.000 2.466 129 A HA 0.690 4.990 4.320 -0.032 0.000 0.238 129 A C -0.469 177.015 177.584 -0.167 0.000 1.074 129 A CA 0.212 52.003 52.037 -0.411 0.000 0.774 129 A CB -0.296 18.189 19.000 -0.859 0.000 1.015 129 A HN 1.153 nan 8.150 nan 0.000 0.498 130 P HA 0.541 nan 4.420 nan 0.000 0.277 130 P C -0.718 176.643 177.300 0.101 0.000 1.240 130 P CA -0.120 62.967 63.100 -0.022 0.000 0.798 130 P CB 1.314 33.000 31.700 -0.023 0.000 0.979 131 A N 1.087 124.033 122.820 0.209 0.000 2.355 131 A HA 0.445 4.746 4.320 -0.032 0.000 0.324 131 A C -0.699 176.943 177.584 0.096 0.000 1.117 131 A CA -0.501 51.648 52.037 0.187 0.000 0.785 131 A CB 0.932 20.082 19.000 0.250 0.000 1.254 131 A HN 0.525 nan 8.150 nan 0.000 0.453 132 D N 2.561 122.993 120.400 0.054 0.000 2.443 132 D HA 0.313 4.933 4.640 -0.032 0.000 0.221 132 D C 0.740 177.062 176.300 0.038 0.000 1.097 132 D CA -0.264 53.753 54.000 0.029 0.000 0.865 132 D CB 0.468 41.275 40.800 0.012 0.000 1.034 132 D HN 0.410 nan 8.370 nan 0.000 0.511 133 L N 2.976 124.223 121.223 0.041 0.000 2.362 133 L HA -0.029 4.292 4.340 -0.032 0.000 0.219 133 L C 2.354 179.292 176.870 0.114 0.000 1.134 133 L CA 0.487 55.382 54.840 0.091 0.000 0.807 133 L CB -0.095 42.006 42.059 0.070 0.000 0.927 133 L HN 0.365 nan 8.230 nan 0.000 0.447 134 R N 0.390 120.915 120.500 0.041 0.000 2.048 134 R HA -0.047 4.274 4.340 -0.032 0.000 0.224 134 R C 2.046 178.349 176.300 0.005 0.000 1.163 134 R CA 1.002 57.113 56.100 0.019 0.000 0.956 134 R CB 0.020 30.311 30.300 -0.014 0.000 0.849 134 R HN 0.289 nan 8.270 nan 0.000 0.435 135 N N 0.675 119.373 118.700 -0.003 0.000 2.309 135 N HA -0.103 4.617 4.740 -0.032 0.000 0.182 135 N C 0.096 175.585 175.510 -0.034 0.000 1.018 135 N CA 1.084 54.119 53.050 -0.025 0.000 0.876 135 N CB 0.105 38.586 38.487 -0.011 0.000 0.972 135 N HN 0.334 nan 8.380 nan 0.000 0.434 136 D N -1.503 118.904 120.400 0.011 0.000 2.431 136 D HA 0.146 4.767 4.640 -0.032 0.000 0.213 136 D C 0.553 176.916 176.300 0.106 0.000 1.130 136 D CA -0.101 53.916 54.000 0.029 0.000 0.834 136 D CB 0.488 41.303 40.800 0.026 0.000 0.985 136 D HN 0.198 nan 8.370 nan 0.000 0.504 137 F N 0.453 120.359 119.950 -0.074 0.000 1.855 137 F HA 0.303 4.811 4.527 -0.032 0.000 0.228 137 F C 1.870 177.636 175.800 -0.056 0.000 1.236 137 F CA 0.270 58.224 58.000 -0.077 0.000 1.308 137 F CB -0.112 38.834 39.000 -0.089 0.000 1.877 137 F HN -0.151 nan 8.300 nan 0.000 0.272 138 A N 0.437 123.147 122.820 -0.183 0.000 1.877 138 A HA -0.147 4.154 4.320 -0.032 0.000 0.216 138 A C 1.648 179.154 177.584 -0.129 0.000 1.186 138 A CA 2.356 54.237 52.037 -0.260 0.000 0.620 138 A CB -1.024 17.947 19.000 -0.049 0.000 0.822 138 A HN 0.566 nan 8.150 nan 0.000 0.443 139 D N -0.585 119.753 120.400 -0.102 0.000 2.097 139 D HA -0.056 4.565 4.640 -0.032 0.000 0.197 139 D C -0.442 175.715 176.300 -0.239 0.000 0.984 139 D CA 1.434 55.347 54.000 -0.146 0.000 0.826 139 D CB -1.503 39.175 40.800 -0.204 0.000 0.973 139 D HN 0.306 nan 8.370 nan 0.000 0.460 140 P HA -0.102 nan 4.420 nan 0.000 0.216 140 P C 1.731 178.971 177.300 -0.100 0.000 1.150 140 P CA 0.603 63.597 63.100 -0.177 0.000 0.837 140 P CB 0.049 31.674 31.700 -0.125 0.000 0.786 141 L N -0.017 121.124 121.223 -0.136 0.000 2.017 141 L HA -0.110 4.211 4.340 -0.032 0.000 0.208 141 L C 2.320 179.257 176.870 0.111 0.000 1.073 141 L CA 2.183 56.966 54.840 -0.095 0.000 0.745 141 L CB -1.585 40.269 42.059 -0.341 0.000 0.894 141 L HN -0.103 nan 8.230 nan 0.000 0.432 142 A N -1.747 121.166 122.820 0.155 0.000 1.902 142 A HA -0.213 4.088 4.320 -0.032 0.000 0.217 142 A C 2.266 179.918 177.584 0.113 0.000 1.181 142 A CA 2.354 54.439 52.037 0.080 0.000 0.623 142 A CB -1.227 17.723 19.000 -0.083 0.000 0.818 142 A HN 0.523 nan 8.150 nan 0.000 0.443 143 T N 0.266 114.844 114.554 0.039 0.000 2.708 143 T HA -0.026 4.305 4.350 -0.032 0.000 0.266 143 T C 2.262 177.080 174.700 0.197 0.000 1.037 143 T CA 1.701 63.856 62.100 0.092 0.000 1.146 143 T CB -0.512 68.390 68.868 0.056 0.000 0.865 143 T HN 0.608 nan 8.240 nan 0.000 0.435 144 A N 1.386 124.309 122.820 0.172 0.000 1.908 144 A HA -0.048 4.252 4.320 -0.032 0.000 0.218 144 A C 2.259 180.049 177.584 0.344 0.000 1.181 144 A CA 1.486 53.681 52.037 0.262 0.000 0.627 144 A CB -0.884 18.241 19.000 0.209 0.000 0.818 144 A HN 0.412 nan 8.150 nan 0.000 0.445 145 L N -0.654 120.746 121.223 0.294 0.000 2.012 145 L HA -0.191 4.130 4.340 -0.032 0.000 0.210 145 L C 2.209 179.075 176.870 -0.005 0.000 1.073 145 L CA 2.654 57.614 54.840 0.199 0.000 0.748 145 L CB -0.933 41.197 42.059 0.118 0.000 0.891 145 L HN 0.535 nan 8.230 nan 0.000 0.431 146 H N -2.063 117.047 119.070 0.067 0.000 2.462 146 H HA -0.050 4.488 4.556 -0.031 0.000 0.292 146 H C 2.327 177.774 175.328 0.197 0.000 1.049 146 H CA 1.525 57.609 56.048 0.060 0.000 1.334 146 H CB -0.544 29.127 29.762 -0.152 0.000 1.404 146 H HN 0.401 nan 8.280 nan 0.000 0.544 147 C N 0.364 119.858 119.300 0.324 0.000 2.446 147 C HA -0.104 4.336 4.460 -0.032 0.000 0.277 147 C C 2.644 177.686 174.990 0.087 0.000 1.275 147 C CA 1.096 60.271 59.018 0.262 0.000 1.727 147 C CB -0.409 27.475 27.740 0.240 0.000 2.010 147 C HN 0.509 nan 8.230 nan 0.000 0.486 148 K N 1.131 121.509 120.400 -0.037 0.000 2.026 148 K HA -0.109 4.191 4.320 -0.032 0.000 0.208 148 K C 1.771 178.288 176.600 -0.139 0.000 1.048 148 K CA 1.589 57.735 56.287 -0.235 0.000 0.929 148 K CB -0.498 31.611 32.500 -0.653 0.000 0.713 148 K HN 0.258 nan 8.250 nan 0.000 0.439 149 V N 0.730 120.589 119.914 -0.091 0.000 2.343 149 V HA -0.213 3.887 4.120 -0.032 0.000 0.247 149 V C 2.100 178.197 176.094 0.004 0.000 1.051 149 V CA 1.570 63.835 62.300 -0.058 0.000 1.036 149 V CB -0.380 31.388 31.823 -0.092 0.000 0.654 149 V HN 0.256 nan 8.190 nan 0.000 0.451 150 L N 0.189 121.454 121.223 0.071 0.000 2.313 150 L HA 0.240 4.561 4.340 -0.032 0.000 0.214 150 L C 1.802 178.698 176.870 0.043 0.000 1.119 150 L CA 1.643 56.542 54.840 0.097 0.000 0.809 150 L CB -0.664 41.514 42.059 0.198 0.000 0.933 150 L HN 0.510 nan 8.230 nan 0.000 0.449 151 G N -0.054 108.756 108.800 0.018 0.000 2.132 151 G HA2 -0.251 3.690 3.960 -0.032 0.000 0.234 151 G HA3 -0.251 3.690 3.960 -0.032 0.000 0.234 151 G C 0.402 175.309 174.900 0.011 0.000 0.989 151 G CA 0.335 45.430 45.100 -0.008 0.000 0.676 151 G HN 0.433 nan 8.290 nan 0.000 0.522 152 I N -2.211 118.391 120.570 0.055 0.000 2.676 152 I HA 0.783 4.934 4.170 -0.032 0.000 0.309 152 I C -2.204 173.964 176.117 0.086 0.000 0.990 152 I CA -3.183 58.166 61.300 0.082 0.000 1.168 152 I CB 1.353 39.448 38.000 0.158 0.000 1.343 152 I HN -0.152 nan 8.210 nan 0.000 0.482 153 P HA 0.066 nan 4.420 nan 0.000 0.264 153 P C 0.102 177.458 177.300 0.094 0.000 1.193 153 P CA -0.146 63.001 63.100 0.079 0.000 0.763 153 P CB 0.546 32.292 31.700 0.077 0.000 0.810 154 Q N 2.778 122.634 119.800 0.093 0.000 2.152 154 Q HA -0.226 4.095 4.340 -0.032 0.000 0.206 154 Q C 2.170 178.226 176.000 0.094 0.000 0.985 154 Q CA 2.488 58.361 55.803 0.115 0.000 0.863 154 Q CB -0.862 27.953 28.738 0.129 0.000 0.904 154 Q HN 0.742 nan 8.270 nan 0.000 0.422 155 E N 1.333 121.576 120.200 0.071 0.000 2.338 155 E HA -0.146 4.184 4.350 -0.032 0.000 0.197 155 E C 1.281 177.901 176.600 0.032 0.000 1.007 155 E CA 1.284 57.715 56.400 0.051 0.000 0.849 155 E CB -0.353 29.373 29.700 0.044 0.000 0.774 155 E HN 0.351 nan 8.360 nan 0.000 0.506 156 D N -0.305 120.112 120.400 0.028 0.000 2.323 156 D HA 0.036 4.657 4.640 -0.032 0.000 0.209 156 D C 2.144 178.386 176.300 -0.096 0.000 0.973 156 D CA 0.887 54.853 54.000 -0.057 0.000 0.874 156 D CB -0.374 40.406 40.800 -0.032 0.000 0.930 156 D HN 0.427 nan 8.370 nan 0.000 0.521 157 G N 2.028 110.846 108.800 0.030 0.000 2.459 157 G HA2 -0.216 3.725 3.960 -0.032 0.000 0.217 157 G HA3 -0.216 3.725 3.960 -0.032 0.000 0.217 157 G C -0.649 174.356 174.900 0.174 0.000 1.183 157 G CA 0.483 45.673 45.100 0.150 0.000 0.776 157 G HN 0.293 nan 8.290 nan 0.000 0.552 158 P HA -0.043 nan 4.420 nan 0.000 0.216 158 P C 2.183 179.571 177.300 0.146 0.000 1.153 158 P CA 2.866 66.049 63.100 0.138 0.000 0.858 158 P CB -0.149 31.592 31.700 0.068 0.000 0.789 159 K N -0.061 120.358 120.400 0.030 0.000 2.057 159 K HA -0.084 4.216 4.320 -0.032 0.000 0.206 159 K C 2.126 178.690 176.600 -0.060 0.000 1.050 159 K CA 1.517 57.791 56.287 -0.022 0.000 0.935 159 K CB -1.785 30.660 32.500 -0.092 0.000 0.715 159 K HN 0.109 nan 8.250 nan 0.000 0.439 160 L N -1.104 120.018 121.223 -0.168 0.000 2.042 160 L HA -0.062 4.259 4.340 -0.032 0.000 0.210 160 L C 2.616 179.542 176.870 0.093 0.000 1.076 160 L CA 1.612 56.297 54.840 -0.259 0.000 0.749 160 L CB -0.403 41.140 42.059 -0.860 0.000 0.893 160 L HN 0.477 nan 8.230 nan 0.000 0.432 161 F N 1.263 121.320 119.950 0.179 0.000 2.161 161 F HA -0.296 4.213 4.527 -0.030 0.000 0.300 161 F C 2.823 178.714 175.800 0.151 0.000 1.089 161 F CA 2.047 60.199 58.000 0.254 0.000 1.282 161 F CB -0.425 38.693 39.000 0.198 0.000 1.010 161 F HN -0.053 nan 8.300 nan 0.000 0.485 162 R N 0.094 120.637 120.500 0.073 0.000 2.193 162 R HA -0.071 4.250 4.340 -0.032 0.000 0.229 162 R C 2.139 178.403 176.300 -0.059 0.000 1.110 162 R CA 1.593 57.689 56.100 -0.008 0.000 0.988 162 R CB -1.945 28.395 30.300 0.066 0.000 0.871 162 R HN 0.449 nan 8.270 nan 0.000 0.458 163 S N 0.978 116.658 115.700 -0.033 0.000 2.419 163 S HA 0.008 4.459 4.470 -0.032 0.000 0.233 163 S C 1.942 176.554 174.600 0.019 0.000 1.016 163 S CA 1.215 59.418 58.200 0.006 0.000 0.974 163 S CB -0.185 63.039 63.200 0.040 0.000 0.786 163 S HN 0.535 nan 8.310 nan 0.000 0.492 164 L N 1.745 122.938 121.223 -0.050 0.000 2.217 164 L HA -0.056 4.265 4.340 -0.032 0.000 0.211 164 L C 2.610 179.603 176.870 0.205 0.000 1.107 164 L CA 1.217 56.106 54.840 0.082 0.000 0.783 164 L CB -0.853 41.159 42.059 -0.078 0.000 0.919 164 L HN 0.419 nan 8.230 nan 0.000 0.442 165 S N -0.314 115.414 115.700 0.047 0.000 2.474 165 S HA -0.072 4.379 4.470 -0.032 0.000 0.235 165 S C 1.708 176.446 174.600 0.229 0.000 0.997 165 S CA 0.827 59.079 58.200 0.086 0.000 0.949 165 S CB -0.273 62.879 63.200 -0.079 0.000 0.766 165 S HN 0.443 nan 8.310 nan 0.000 0.517 166 I N 0.708 121.376 120.570 0.163 0.000 3.300 166 I HA 0.241 4.391 4.170 -0.032 0.000 0.279 166 I C 2.805 178.962 176.117 0.068 0.000 1.172 166 I CA 0.581 61.952 61.300 0.118 0.000 1.431 166 I CB -0.380 37.652 38.000 0.053 0.000 1.240 166 I HN 0.340 nan 8.210 nan 0.000 0.453 167 A N 0.837 123.678 122.820 0.033 0.000 1.972 167 A HA -0.135 4.166 4.320 -0.032 0.000 0.219 167 A C 1.625 178.938 177.584 -0.452 0.000 1.169 167 A CA 1.613 53.551 52.037 -0.166 0.000 0.635 167 A CB -0.709 18.205 19.000 -0.143 0.000 0.810 167 A HN 0.423 nan 8.150 nan 0.000 0.446 168 F N -0.680 119.186 119.950 -0.139 0.000 2.639 168 F HA 0.369 4.877 4.527 -0.031 0.000 0.300 168 F C 0.770 176.159 175.800 -0.685 0.000 1.109 168 F CA -0.325 57.395 58.000 -0.468 0.000 1.335 168 F CB -0.170 38.444 39.000 -0.644 0.000 1.014 168 F HN 0.031 nan 8.300 nan 0.000 0.537 169 M N -0.034 119.498 119.600 -0.114 0.000 2.250 169 M HA 0.012 4.473 4.480 -0.032 0.000 0.325 169 M C 0.716 176.961 176.300 -0.091 0.000 1.084 169 M CA 0.460 55.771 55.300 0.018 0.000 1.161 169 M CB 0.644 33.303 32.600 0.099 0.000 1.481 169 M HN -0.084 nan 8.290 nan 0.000 0.449 170 S N 1.767 117.449 115.700 -0.030 0.000 2.426 170 S HA 0.346 4.797 4.470 -0.032 0.000 0.236 170 S C -0.738 173.855 174.600 -0.012 0.000 1.368 170 S CA -0.525 57.648 58.200 -0.044 0.000 1.154 170 S CB 0.427 63.601 63.200 -0.042 0.000 1.037 170 S HN 0.661 nan 8.310 nan 0.000 0.481 171 S N 2.935 118.619 115.700 -0.027 0.000 2.537 171 S HA 0.708 5.158 4.470 -0.032 0.000 0.301 171 S C 1.164 175.749 174.600 -0.026 0.000 1.092 171 S CA -0.206 57.985 58.200 -0.016 0.000 1.048 171 S CB 1.389 64.578 63.200 -0.018 0.000 1.053 171 S HN 0.807 nan 8.310 nan 0.000 0.501 172 A N 3.022 125.831 122.820 -0.018 0.000 2.067 172 A HA 0.154 4.455 4.320 -0.032 0.000 0.219 172 A C 0.463 178.031 177.584 -0.027 0.000 1.158 172 A CA 0.991 53.015 52.037 -0.023 0.000 0.661 172 A CB -0.242 18.748 19.000 -0.016 0.000 0.801 172 A HN 0.822 nan 8.150 nan 0.000 0.452 173 D N -1.393 118.992 120.400 -0.026 0.000 2.547 173 D HA 0.447 5.068 4.640 -0.032 0.000 0.231 173 D C -2.993 173.286 176.300 -0.035 0.000 1.099 173 D CA -1.503 52.480 54.000 -0.028 0.000 0.901 173 D CB 1.064 41.852 40.800 -0.020 0.000 1.478 173 D HN -0.154 nan 8.370 nan 0.000 0.471 174 P HA 0.116 nan 4.420 nan 0.000 0.266 174 P C -0.450 176.828 177.300 -0.037 0.000 1.193 174 P CA 0.253 63.324 63.100 -0.047 0.000 0.770 174 P CB 0.517 32.190 31.700 -0.045 0.000 0.836 175 I N 4.383 124.928 120.570 -0.043 0.000 2.405 175 I HA 0.211 4.362 4.170 -0.032 0.000 0.280 175 I C -1.533 174.572 176.117 -0.021 0.000 1.027 175 I CA -2.052 59.231 61.300 -0.027 0.000 1.161 175 I CB 1.730 39.714 38.000 -0.028 0.000 1.300 175 I HN 0.241 nan 8.210 nan 0.000 0.463 176 P HA -0.211 nan 4.420 nan 0.000 0.216 176 P C 1.595 178.899 177.300 0.007 0.000 1.153 176 P CA 1.161 64.259 63.100 -0.003 0.000 0.858 176 P CB 0.332 32.032 31.700 0.000 0.000 0.789 177 A N -0.140 122.685 122.820 0.009 0.000 1.972 177 A HA -0.095 4.206 4.320 -0.032 0.000 0.219 177 A C 2.307 179.906 177.584 0.025 0.000 1.169 177 A CA 1.889 53.936 52.037 0.018 0.000 0.635 177 A CB -1.481 17.529 19.000 0.017 0.000 0.810 177 A HN 0.205 nan 8.150 nan 0.000 0.446 178 A N -0.023 122.803 122.820 0.010 0.000 1.908 178 A HA -0.198 4.102 4.320 -0.032 0.000 0.218 178 A C 2.129 179.746 177.584 0.055 0.000 1.181 178 A CA 2.055 54.098 52.037 0.011 0.000 0.627 178 A CB -0.432 18.539 19.000 -0.049 0.000 0.818 178 A HN 0.576 nan 8.150 nan 0.000 0.445 179 K N -0.281 120.141 120.400 0.037 0.000 2.057 179 K HA -0.051 4.250 4.320 -0.032 0.000 0.206 179 K C 1.826 178.501 176.600 0.126 0.000 1.050 179 K CA 1.345 57.680 56.287 0.080 0.000 0.935 179 K CB -0.320 32.198 32.500 0.031 0.000 0.715 179 K HN 0.496 nan 8.250 nan 0.000 0.439 180 I N 1.758 122.375 120.570 0.078 0.000 2.127 180 I HA -0.347 3.803 4.170 -0.032 0.000 0.241 180 I C 1.931 178.093 176.117 0.074 0.000 1.075 180 I CA 1.296 62.636 61.300 0.065 0.000 1.334 180 I CB -0.490 37.534 38.000 0.040 0.000 1.040 180 I HN 0.262 nan 8.210 nan 0.000 0.405 181 N N 0.175 118.923 118.700 0.079 0.000 2.188 181 N HA -0.214 4.507 4.740 -0.032 0.000 0.184 181 N C 1.528 177.104 175.510 0.110 0.000 1.018 181 N CA 1.129 54.222 53.050 0.071 0.000 0.858 181 N CB -0.462 38.063 38.487 0.064 0.000 0.989 181 N HN 0.551 nan 8.380 nan 0.000 0.426 182 W N 2.679 123.968 121.300 -0.018 0.000 2.333 182 W HA -0.190 4.455 4.660 -0.024 0.000 0.316 182 W C 0.830 177.353 176.519 0.006 0.000 1.215 182 W CA 1.429 58.768 57.345 -0.011 0.000 1.278 182 W CB -0.254 29.192 29.460 -0.024 0.000 1.154 182 W HN 0.050 nan 8.180 nan 0.000 0.486 183 D N -0.145 120.339 120.400 0.140 0.000 2.149 183 D HA -0.215 4.406 4.640 -0.032 0.000 0.198 183 D C 2.147 178.420 176.300 -0.045 0.000 0.990 183 D CA 1.729 55.749 54.000 0.034 0.000 0.839 183 D CB -0.538 40.325 40.800 0.104 0.000 0.948 183 D HN 0.248 nan 8.370 nan 0.000 0.460 184 R N 0.620 121.108 120.500 -0.020 0.000 2.075 184 R HA -0.119 4.202 4.340 -0.032 0.000 0.232 184 R C 1.407 177.680 176.300 -0.046 0.000 1.126 184 R CA 1.416 57.503 56.100 -0.023 0.000 0.963 184 R CB 0.100 30.396 30.300 -0.008 0.000 0.858 184 R HN -0.026 nan 8.270 nan 0.000 0.435 185 D N 0.512 120.852 120.400 -0.101 0.000 2.144 185 D HA -0.145 4.476 4.640 -0.032 0.000 0.199 185 D C 1.866 178.073 176.300 -0.156 0.000 0.984 185 D CA 0.887 54.809 54.000 -0.129 0.000 0.834 185 D CB -0.065 40.633 40.800 -0.171 0.000 0.955 185 D HN 0.226 nan 8.370 nan 0.000 0.465 186 I N 1.408 121.788 120.570 -0.317 0.000 2.226 186 I HA -0.186 3.965 4.170 -0.032 0.000 0.245 186 I C 2.140 178.180 176.117 -0.128 0.000 1.100 186 I CA 1.174 62.294 61.300 -0.300 0.000 1.374 186 I CB -0.731 37.020 38.000 -0.415 0.000 1.057 186 I HN 0.022 nan 8.210 nan 0.000 0.413 187 E N -0.117 120.035 120.200 -0.080 0.000 2.110 187 E HA -0.250 4.081 4.350 -0.032 0.000 0.193 187 E C 2.077 178.666 176.600 -0.018 0.000 0.988 187 E CA 1.057 57.436 56.400 -0.036 0.000 0.804 187 E CB -0.621 29.070 29.700 -0.014 0.000 0.745 187 E HN 0.575 nan 8.360 nan 0.000 0.458 188 Y N 1.099 121.338 120.300 -0.101 0.000 2.114 188 Y HA -0.231 4.299 4.550 -0.032 0.000 0.284 188 Y C 2.231 178.077 175.900 -0.091 0.000 1.143 188 Y CA 1.735 59.779 58.100 -0.094 0.000 1.135 188 Y CB -0.156 38.237 38.460 -0.113 0.000 0.980 188 Y HN -0.084 nan 8.280 nan 0.000 0.499 189 M N 0.181 119.707 119.600 -0.124 0.000 2.159 189 M HA -0.144 4.317 4.480 -0.032 0.000 0.263 189 M C 2.476 178.672 176.300 -0.174 0.000 1.063 189 M CA 1.593 56.792 55.300 -0.169 0.000 1.110 189 M CB -1.800 30.773 32.600 -0.044 0.000 1.374 189 M HN 0.504 nan 8.290 nan 0.000 0.411 190 A N 0.216 122.961 122.820 -0.125 0.000 1.933 190 A HA -0.025 4.276 4.320 -0.032 0.000 0.218 190 A C 2.431 179.936 177.584 -0.132 0.000 1.175 190 A CA 1.964 53.944 52.037 -0.097 0.000 0.628 190 A CB -1.385 17.579 19.000 -0.060 0.000 0.814 190 A HN 0.520 nan 8.150 nan 0.000 0.444 191 G N -0.214 108.481 108.800 -0.175 0.000 2.408 191 G HA2 -0.110 3.831 3.960 -0.032 0.000 0.217 191 G HA3 -0.110 3.831 3.960 -0.032 0.000 0.217 191 G C 1.388 176.146 174.900 -0.238 0.000 1.150 191 G CA 0.954 45.941 45.100 -0.189 0.000 0.776 191 G HN 0.359 nan 8.290 nan 0.000 0.542 192 I N 0.874 121.236 120.570 -0.347 0.000 2.226 192 I HA -0.094 4.057 4.170 -0.032 0.000 0.245 192 I C 2.768 178.770 176.117 -0.192 0.000 1.100 192 I CA 0.958 62.075 61.300 -0.304 0.000 1.374 192 I CB -0.886 36.893 38.000 -0.367 0.000 1.057 192 I HN 0.166 nan 8.210 nan 0.000 0.413 193 L N 0.201 121.322 121.223 -0.171 0.000 2.191 193 L HA -0.156 4.165 4.340 -0.032 0.000 0.212 193 L C 2.112 178.895 176.870 -0.145 0.000 1.103 193 L CA 1.029 55.774 54.840 -0.158 0.000 0.769 193 L CB -0.389 41.575 42.059 -0.158 0.000 0.908 193 L HN 0.220 nan 8.230 nan 0.000 0.438 194 E N -0.785 119.338 120.200 -0.129 0.000 2.479 194 E HA 0.029 4.359 4.350 -0.032 0.000 0.193 194 E C 0.220 176.763 176.600 -0.096 0.000 1.049 194 E CA -0.020 56.318 56.400 -0.105 0.000 0.870 194 E CB -0.149 29.498 29.700 -0.088 0.000 0.944 194 E HN 0.247 nan 8.360 nan 0.000 0.492 195 N N 2.849 121.484 118.700 -0.109 0.000 2.406 195 N HA 0.040 4.760 4.740 -0.032 0.000 0.251 195 N C -1.568 173.895 175.510 -0.079 0.000 1.069 195 N CA -1.696 51.298 53.050 -0.092 0.000 0.947 195 N CB 1.321 39.743 38.487 -0.108 0.000 1.111 195 N HN -0.149 nan 8.380 nan 0.000 0.497 196 P HA -0.055 nan 4.420 nan 0.000 0.226 196 P C 0.786 178.057 177.300 -0.049 0.000 1.153 196 P CA 0.923 63.989 63.100 -0.056 0.000 0.777 196 P CB -0.145 31.528 31.700 -0.046 0.000 0.794 197 N N 0.507 119.180 118.700 -0.046 0.000 2.459 197 N HA -0.030 4.691 4.740 -0.032 0.000 0.181 197 N C 0.946 176.431 175.510 -0.042 0.000 1.046 197 N CA 0.556 53.583 53.050 -0.038 0.000 0.904 197 N CB -0.532 37.937 38.487 -0.030 0.000 0.964 197 N HN 0.004 nan 8.380 nan 0.000 0.444 198 I N 2.333 122.870 120.570 -0.055 0.000 2.282 198 I HA 0.198 4.349 4.170 -0.032 0.000 0.290 198 I C 0.809 176.890 176.117 -0.060 0.000 1.090 198 I CA 0.217 61.482 61.300 -0.057 0.000 1.231 198 I CB -0.011 37.944 38.000 -0.075 0.000 1.434 198 I HN 0.328 nan 8.210 nan 0.000 0.487 199 T N -0.129 114.394 114.554 -0.050 0.000 3.058 199 T HA 0.154 4.485 4.350 -0.032 0.000 0.278 199 T C 0.613 175.285 174.700 -0.047 0.000 0.974 199 T CA -0.148 61.922 62.100 -0.051 0.000 0.893 199 T CB 0.201 69.043 68.868 -0.043 0.000 1.138 199 T HN 0.508 nan 8.240 nan 0.000 0.529 200 T N -1.541 112.986 114.554 -0.045 0.000 2.926 200 T HA 0.740 5.071 4.350 -0.032 0.000 0.289 200 T C 0.769 175.442 174.700 -0.044 0.000 1.054 200 T CA -0.153 61.920 62.100 -0.044 0.000 1.015 200 T CB 1.265 70.105 68.868 -0.046 0.000 1.167 200 T HN 1.226 nan 8.240 nan 0.000 0.526 201 G N 0.314 109.087 108.800 -0.044 0.000 2.752 201 G HA2 -0.133 3.808 3.960 -0.032 0.000 0.234 201 G HA3 -0.133 3.808 3.960 -0.032 0.000 0.234 201 G C 0.448 175.327 174.900 -0.035 0.000 1.367 201 G CA 0.111 45.188 45.100 -0.038 0.000 0.879 201 G HN 1.503 nan 8.290 nan 0.000 0.563 202 L N -0.538 120.671 121.223 -0.024 0.000 2.012 202 L HA -0.034 4.287 4.340 -0.032 0.000 0.210 202 L C 2.949 179.798 176.870 -0.035 0.000 1.073 202 L CA 3.268 58.087 54.840 -0.035 0.000 0.748 202 L CB -0.447 41.596 42.059 -0.026 0.000 0.891 202 L HN 0.645 nan 8.230 nan 0.000 0.431 203 M N -0.683 118.906 119.600 -0.018 0.000 2.200 203 M HA 0.022 4.483 4.480 -0.032 0.000 0.265 203 M C 2.329 178.589 176.300 -0.066 0.000 1.066 203 M CA 1.334 56.613 55.300 -0.034 0.000 1.127 203 M CB -2.255 30.330 32.600 -0.025 0.000 1.379 203 M HN 0.399 nan 8.290 nan 0.000 0.420 204 G N 0.095 108.859 108.800 -0.060 0.000 2.440 204 G HA2 -0.268 3.673 3.960 -0.032 0.000 0.218 204 G HA3 -0.268 3.673 3.960 -0.032 0.000 0.218 204 G C 1.563 176.413 174.900 -0.084 0.000 1.154 204 G CA 1.350 46.407 45.100 -0.071 0.000 0.767 204 G HN 0.447 nan 8.290 nan 0.000 0.552 205 E N 0.490 120.644 120.200 -0.076 0.000 2.047 205 E HA -0.011 4.319 4.350 -0.032 0.000 0.191 205 E C 2.554 179.086 176.600 -0.114 0.000 0.987 205 E CA 0.699 57.047 56.400 -0.085 0.000 0.799 205 E CB -0.494 29.162 29.700 -0.072 0.000 0.752 205 E HN 0.426 nan 8.360 nan 0.000 0.449 206 L N 0.071 121.234 121.223 -0.100 0.000 2.131 206 L HA -0.143 4.178 4.340 -0.032 0.000 0.210 206 L C 2.435 179.120 176.870 -0.307 0.000 1.092 206 L CA 1.210 55.982 54.840 -0.113 0.000 0.759 206 L CB -0.339 41.738 42.059 0.030 0.000 0.903 206 L HN 0.104 nan 8.230 nan 0.000 0.435 207 S N -0.544 115.013 115.700 -0.238 0.000 2.383 207 S HA -0.114 4.336 4.470 -0.032 0.000 0.227 207 S C 2.050 176.505 174.600 -0.241 0.000 1.026 207 S CA 0.973 59.015 58.200 -0.263 0.000 0.981 207 S CB -0.111 62.982 63.200 -0.177 0.000 0.818 207 S HN 0.367 nan 8.310 nan 0.000 0.472 208 R N 0.753 121.144 120.500 -0.180 0.000 2.062 208 R HA 0.053 4.373 4.340 -0.032 0.000 0.231 208 R C 2.248 178.456 176.300 -0.154 0.000 1.136 208 R CA 1.121 57.137 56.100 -0.139 0.000 0.948 208 R CB -0.581 29.661 30.300 -0.097 0.000 0.845 208 R HN 0.336 nan 8.270 nan 0.000 0.430 209 L N 0.273 121.376 121.223 -0.201 0.000 2.079 209 L HA -0.178 4.143 4.340 -0.032 0.000 0.210 209 L C 2.728 179.502 176.870 -0.159 0.000 1.081 209 L CA 1.210 55.914 54.840 -0.227 0.000 0.752 209 L CB -0.424 41.380 42.059 -0.426 0.000 0.896 209 L HN 0.202 nan 8.230 nan 0.000 0.433 210 R N 0.487 120.743 120.500 -0.406 0.000 2.127 210 R HA -0.155 4.166 4.340 -0.032 0.000 0.238 210 R C 1.464 177.661 176.300 -0.172 0.000 1.134 210 R CA 1.181 56.980 56.100 -0.503 0.000 0.975 210 R CB 0.161 29.892 30.300 -0.948 0.000 0.865 210 R HN 0.146 nan 8.270 nan 0.000 0.447 211 K N 0.458 120.780 120.400 -0.131 0.000 2.372 211 K HA 0.063 4.364 4.320 -0.032 0.000 0.200 211 K C -0.325 176.269 176.600 -0.010 0.000 1.022 211 K CA -0.027 56.222 56.287 -0.064 0.000 1.125 211 K CB 0.270 32.723 32.500 -0.078 0.000 0.855 211 K HN 0.184 nan 8.250 nan 0.000 0.524 212 D N 1.769 122.196 120.400 0.046 0.000 2.256 212 D HA 0.089 4.710 4.640 -0.032 0.000 0.250 212 D C -1.647 174.712 176.300 0.099 0.000 1.093 212 D CA -2.063 51.996 54.000 0.098 0.000 0.882 212 D CB 1.924 42.835 40.800 0.184 0.000 1.185 212 D HN -0.166 nan 8.370 nan 0.000 0.437 213 P HA -0.122 nan 4.420 nan 0.000 0.217 213 P C 0.916 178.191 177.300 -0.041 0.000 1.148 213 P CA 1.167 64.262 63.100 -0.008 0.000 0.828 213 P CB 0.009 31.702 31.700 -0.013 0.000 0.783 214 A N -1.952 120.828 122.820 -0.068 0.000 2.172 214 A HA -0.118 4.183 4.320 -0.032 0.000 0.216 214 A C 1.008 178.273 177.584 -0.530 0.000 1.154 214 A CA 0.966 52.827 52.037 -0.294 0.000 0.701 214 A CB -1.277 17.495 19.000 -0.380 0.000 0.789 214 A HN 0.247 nan 8.150 nan 0.000 0.465 215 Y N -0.775 119.551 120.300 0.045 0.000 2.682 215 Y HA 0.111 4.642 4.550 -0.032 0.000 0.251 215 Y C 2.078 178.015 175.900 0.061 0.000 1.172 215 Y CA 0.117 58.273 58.100 0.094 0.000 1.186 215 Y CB 0.003 38.573 38.460 0.183 0.000 1.216 215 Y HN 0.340 nan 8.280 nan 0.000 0.540 216 S N -1.149 114.550 115.700 -0.001 0.000 2.442 216 S HA -0.173 4.278 4.470 -0.032 0.000 0.236 216 S C 1.089 175.545 174.600 -0.239 0.000 1.007 216 S CA 1.369 59.481 58.200 -0.147 0.000 0.965 216 S CB -0.378 62.638 63.200 -0.307 0.000 0.773 216 S HN 0.490 nan 8.310 nan 0.000 0.504 217 H N 0.383 119.506 119.070 0.088 0.000 2.529 217 H HA 0.432 4.969 4.556 -0.032 0.000 0.277 217 H C -0.020 175.355 175.328 0.078 0.000 1.004 217 H CA -0.191 55.898 56.048 0.068 0.000 1.167 217 H CB 0.040 29.821 29.762 0.031 0.000 1.445 217 H HN 0.267 nan 8.280 nan 0.000 0.554 218 V N 2.767 122.795 119.914 0.190 0.000 2.583 218 V HA 0.030 4.130 4.120 -0.032 0.000 0.287 218 V C 0.895 177.061 176.094 0.120 0.000 1.051 218 V CA -0.463 61.901 62.300 0.107 0.000 1.010 218 V CB 1.398 33.244 31.823 0.039 0.000 0.988 218 V HN 0.390 nan 8.190 nan 0.000 0.478 219 S N 2.460 118.179 115.700 0.032 0.000 2.580 219 S HA 0.135 4.586 4.470 -0.032 0.000 0.274 219 S C 0.670 175.366 174.600 0.160 0.000 1.329 219 S CA -0.558 57.694 58.200 0.087 0.000 1.036 219 S CB 0.996 64.230 63.200 0.055 0.000 0.919 219 S HN 0.687 nan 8.310 nan 0.000 0.515 220 D N 1.901 122.425 120.400 0.208 0.000 2.218 220 D HA -0.054 4.567 4.640 -0.032 0.000 0.204 220 D C 1.616 178.015 176.300 0.166 0.000 0.976 220 D CA 1.228 55.373 54.000 0.241 0.000 0.853 220 D CB -0.172 40.707 40.800 0.132 0.000 0.939 220 D HN 0.731 nan 8.370 nan 0.000 0.481 221 E N 0.269 120.533 120.200 0.107 0.000 2.051 221 E HA -0.127 4.204 4.350 -0.032 0.000 0.192 221 E C 1.924 178.570 176.600 0.076 0.000 0.991 221 E CA 0.304 56.755 56.400 0.085 0.000 0.799 221 E CB -0.361 29.389 29.700 0.082 0.000 0.748 221 E HN 0.171 nan 8.360 nan 0.000 0.449 222 L N -0.169 121.067 121.223 0.022 0.000 2.017 222 L HA -0.110 4.211 4.340 -0.032 0.000 0.208 222 L C 1.930 178.776 176.870 -0.040 0.000 1.073 222 L CA 1.663 56.477 54.840 -0.045 0.000 0.745 222 L CB -0.593 41.369 42.059 -0.162 0.000 0.894 222 L HN 0.116 nan 8.230 nan 0.000 0.432 223 F N -0.148 119.814 119.950 0.021 0.000 2.126 223 F HA -0.264 4.244 4.527 -0.031 0.000 0.299 223 F C 2.505 178.296 175.800 -0.014 0.000 1.096 223 F CA 1.411 59.406 58.000 -0.009 0.000 1.255 223 F CB -0.827 38.157 39.000 -0.028 0.000 0.997 223 F HN 0.233 nan 8.300 nan 0.000 0.479 224 A N -0.568 122.345 122.820 0.155 0.000 1.930 224 A HA -0.149 4.152 4.320 -0.032 0.000 0.217 224 A C 2.164 179.755 177.584 0.012 0.000 1.175 224 A CA 2.076 54.140 52.037 0.046 0.000 0.627 224 A CB -1.220 17.777 19.000 -0.005 0.000 0.815 224 A HN 0.331 nan 8.150 nan 0.000 0.443 225 T N 0.537 115.120 114.554 0.048 0.000 2.746 225 T HA -0.121 4.210 4.350 -0.032 0.000 0.267 225 T C 1.763 176.562 174.700 0.166 0.000 1.039 225 T CA 1.583 63.742 62.100 0.098 0.000 1.142 225 T CB -0.457 68.531 68.868 0.200 0.000 0.866 225 T HN 0.447 nan 8.240 nan 0.000 0.444 226 I N 1.161 121.824 120.570 0.154 0.000 2.208 226 I HA -0.153 3.998 4.170 -0.032 0.000 0.245 226 I C 2.860 179.119 176.117 0.237 0.000 1.097 226 I CA 1.396 62.811 61.300 0.192 0.000 1.363 226 I CB -0.748 37.270 38.000 0.030 0.000 1.051 226 I HN 0.312 nan 8.210 nan 0.000 0.413 227 G N 0.472 109.366 108.800 0.156 0.000 2.421 227 G HA2 -0.176 3.765 3.960 -0.032 0.000 0.216 227 G HA3 -0.176 3.765 3.960 -0.032 0.000 0.216 227 G C 1.704 176.739 174.900 0.224 0.000 1.171 227 G CA 0.955 46.160 45.100 0.175 0.000 0.775 227 G HN 0.247 nan 8.290 nan 0.000 0.543 228 V N 1.846 121.830 119.914 0.117 0.000 2.295 228 V HA -0.211 3.890 4.120 -0.032 0.000 0.246 228 V C 3.348 179.597 176.094 0.258 0.000 1.049 228 V CA 2.543 64.893 62.300 0.083 0.000 1.024 228 V CB -1.174 30.506 31.823 -0.240 0.000 0.648 228 V HN 0.663 nan 8.190 nan 0.000 0.447 229 T N -2.099 112.640 114.554 0.308 0.000 2.812 229 T HA -0.133 4.198 4.350 -0.032 0.000 0.264 229 T C 1.791 176.652 174.700 0.268 0.000 1.042 229 T CA 1.362 63.662 62.100 0.333 0.000 1.140 229 T CB -0.528 68.539 68.868 0.331 0.000 0.870 229 T HN 0.292 nan 8.240 nan 0.000 0.445 230 F N 0.444 120.519 119.950 0.208 0.000 2.234 230 F HA 0.264 4.772 4.527 -0.031 0.000 0.296 230 F C 1.988 177.900 175.800 0.188 0.000 1.089 230 F CA -0.431 57.680 58.000 0.184 0.000 1.343 230 F CB -0.731 38.372 39.000 0.170 0.000 1.040 230 F HN 0.132 nan 8.300 nan 0.000 0.498 231 F N 0.616 120.716 119.950 0.250 0.000 2.069 231 F HA -0.092 4.415 4.527 -0.033 0.000 0.298 231 F C 2.421 178.237 175.800 0.027 0.000 1.113 231 F CA 1.928 60.014 58.000 0.143 0.000 1.214 231 F CB -0.897 38.195 39.000 0.153 0.000 0.978 231 F HN -0.051 nan 8.300 nan 0.000 0.474 232 G N -0.420 108.580 108.800 0.333 0.000 2.433 232 G HA2 -0.227 3.713 3.960 -0.032 0.000 0.216 232 G HA3 -0.227 3.713 3.960 -0.032 0.000 0.216 232 G C 1.792 176.703 174.900 0.019 0.000 1.186 232 G CA 0.891 46.171 45.100 0.301 0.000 0.779 232 G HN 0.616 nan 8.290 nan 0.000 0.543 233 A N 0.811 123.660 122.820 0.049 0.000 1.877 233 A HA 0.153 4.454 4.320 -0.032 0.000 0.216 233 A C 2.714 180.115 177.584 -0.304 0.000 1.186 233 A CA 2.189 54.139 52.037 -0.145 0.000 0.620 233 A CB -1.122 17.819 19.000 -0.097 0.000 0.822 233 A HN 0.555 nan 8.150 nan 0.000 0.443 234 G N -0.787 107.816 108.800 -0.329 0.000 2.402 234 G HA2 -0.066 3.875 3.960 -0.032 0.000 0.216 234 G HA3 -0.066 3.875 3.960 -0.032 0.000 0.216 234 G C 1.501 175.914 174.900 -0.810 0.000 1.162 234 G CA 1.208 46.035 45.100 -0.454 0.000 0.777 234 G HN 0.314 nan 8.290 nan 0.000 0.539 235 V N 0.634 119.945 119.914 -1.006 0.000 2.358 235 V HA -0.089 4.012 4.120 -0.032 0.000 0.246 235 V C 2.587 178.463 176.094 -0.364 0.000 1.047 235 V CA 1.373 63.241 62.300 -0.719 0.000 1.035 235 V CB -0.280 31.107 31.823 -0.727 0.000 0.658 235 V HN 0.329 nan 8.190 nan 0.000 0.452 236 I N -0.078 120.245 120.570 -0.412 0.000 2.315 236 I HA -0.175 3.976 4.170 -0.032 0.000 0.248 236 I C 2.439 178.373 176.117 -0.305 0.000 1.117 236 I CA 1.592 62.655 61.300 -0.395 0.000 1.404 236 I CB -0.165 37.337 38.000 -0.830 0.000 1.071 236 I HN 0.212 nan 8.210 nan 0.000 0.419 237 S N -0.611 114.903 115.700 -0.310 0.000 2.362 237 S HA -0.144 4.307 4.470 -0.032 0.000 0.221 237 S C 1.997 176.590 174.600 -0.011 0.000 1.032 237 S CA 1.648 59.758 58.200 -0.150 0.000 0.973 237 S CB -0.699 62.449 63.200 -0.086 0.000 0.849 237 S HN 0.696 nan 8.310 nan 0.000 0.465 238 T N 0.378 114.886 114.554 -0.076 0.000 2.812 238 T HA 0.027 4.358 4.350 -0.032 0.000 0.264 238 T C 2.035 176.734 174.700 -0.002 0.000 1.042 238 T CA 1.287 63.348 62.100 -0.065 0.000 1.140 238 T CB -1.015 67.596 68.868 -0.429 0.000 0.870 238 T HN 0.350 nan 8.240 nan 0.000 0.445 239 G N 1.235 110.001 108.800 -0.055 0.000 2.421 239 G HA2 -0.160 3.781 3.960 -0.032 0.000 0.216 239 G HA3 -0.160 3.781 3.960 -0.032 0.000 0.216 239 G C 1.899 176.842 174.900 0.072 0.000 1.171 239 G CA 1.007 46.131 45.100 0.040 0.000 0.775 239 G HN 0.562 nan 8.290 nan 0.000 0.543 240 S N 0.400 116.139 115.700 0.065 0.000 2.355 240 S HA -0.073 4.378 4.470 -0.032 0.000 0.222 240 S C 1.909 176.589 174.600 0.134 0.000 1.031 240 S CA 1.094 59.348 58.200 0.090 0.000 0.993 240 S CB -0.394 62.847 63.200 0.068 0.000 0.859 240 S HN 0.399 nan 8.310 nan 0.000 0.453 241 F N 2.604 122.586 119.950 0.053 0.000 2.102 241 F HA -0.073 4.434 4.527 -0.033 0.000 0.298 241 F C 1.915 177.773 175.800 0.096 0.000 1.105 241 F CA 0.934 58.978 58.000 0.075 0.000 1.239 241 F CB -0.675 38.366 39.000 0.068 0.000 0.991 241 F HN 0.144 nan 8.300 nan 0.000 0.474 242 L N 0.408 121.550 121.223 -0.135 0.000 2.012 242 L HA -0.175 4.146 4.340 -0.032 0.000 0.210 242 L C 2.283 179.055 176.870 -0.164 0.000 1.073 242 L CA 2.606 57.318 54.840 -0.214 0.000 0.748 242 L CB -1.452 40.628 42.059 0.035 0.000 0.891 242 L HN 0.247 nan 8.230 nan 0.000 0.431 243 T N -0.842 113.680 114.554 -0.053 0.000 2.635 243 T HA -0.218 4.113 4.350 -0.032 0.000 0.267 243 T C 1.725 176.410 174.700 -0.026 0.000 1.040 243 T CA 2.407 64.497 62.100 -0.016 0.000 1.156 243 T CB -0.773 68.103 68.868 0.013 0.000 0.863 243 T HN 0.694 nan 8.240 nan 0.000 0.430 244 T N 0.651 115.195 114.554 -0.016 0.000 2.951 244 T HA 0.200 4.531 4.350 -0.032 0.000 0.268 244 T C 2.232 176.905 174.700 -0.045 0.000 1.073 244 T CA 0.903 63.037 62.100 0.057 0.000 1.134 244 T CB -0.454 68.515 68.868 0.167 0.000 0.884 244 T HN 0.343 nan 8.240 nan 0.000 0.479 245 A N 1.670 124.332 122.820 -0.264 0.000 1.930 245 A HA 0.203 4.504 4.320 -0.032 0.000 0.217 245 A C 2.369 179.873 177.584 -0.134 0.000 1.175 245 A CA 1.004 52.861 52.037 -0.300 0.000 0.627 245 A CB -0.850 17.728 19.000 -0.703 0.000 0.815 245 A HN 0.526 nan 8.150 nan 0.000 0.443 246 L N -0.534 120.627 121.223 -0.103 0.000 2.046 246 L HA -0.187 4.133 4.340 -0.032 0.000 0.208 246 L C 2.443 179.313 176.870 -0.000 0.000 1.077 246 L CA 1.215 56.036 54.840 -0.032 0.000 0.747 246 L CB -0.562 41.498 42.059 0.002 0.000 0.896 246 L HN 0.381 nan 8.230 nan 0.000 0.432 247 I N -0.744 119.839 120.570 0.021 0.000 2.127 247 I HA -0.315 3.836 4.170 -0.032 0.000 0.241 247 I C 2.649 178.799 176.117 0.055 0.000 1.075 247 I CA 1.372 62.708 61.300 0.059 0.000 1.334 247 I CB -0.384 37.690 38.000 0.123 0.000 1.040 247 I HN 0.157 nan 8.210 nan 0.000 0.405 248 S N 0.709 116.437 115.700 0.047 0.000 2.370 248 S HA -0.183 4.268 4.470 -0.032 0.000 0.226 248 S C 1.897 176.514 174.600 0.029 0.000 1.033 248 S CA 1.349 59.576 58.200 0.044 0.000 1.011 248 S CB -0.406 62.818 63.200 0.040 0.000 0.852 248 S HN 0.287 nan 8.310 nan 0.000 0.457 249 L N 1.726 122.958 121.223 0.014 0.000 2.027 249 L HA 0.083 4.404 4.340 -0.032 0.000 0.206 249 L C 1.910 178.790 176.870 0.018 0.000 1.074 249 L CA 1.499 56.347 54.840 0.013 0.000 0.745 249 L CB -0.585 41.476 42.059 0.004 0.000 0.898 249 L HN 0.274 nan 8.230 nan 0.000 0.433 250 I N -0.702 119.879 120.570 0.018 0.000 2.264 250 I HA -0.279 3.872 4.170 -0.032 0.000 0.248 250 I C 2.003 178.135 176.117 0.025 0.000 1.111 250 I CA 0.814 62.127 61.300 0.020 0.000 1.382 250 I CB -0.345 37.669 38.000 0.023 0.000 1.060 250 I HN 0.357 nan 8.210 nan 0.000 0.418 251 Q N 0.858 120.678 119.800 0.033 0.000 2.515 251 Q HA 0.004 4.325 4.340 -0.032 0.000 0.212 251 Q C 0.410 176.428 176.000 0.030 0.000 0.970 251 Q CA 0.801 56.626 55.803 0.036 0.000 0.941 251 Q CB -0.048 28.719 28.738 0.048 0.000 0.998 251 Q HN 0.492 nan 8.270 nan 0.000 0.518 252 R N 0.379 120.895 120.500 0.026 0.000 2.651 252 R HA 0.197 4.517 4.340 -0.032 0.000 0.282 252 R C -1.849 174.463 176.300 0.020 0.000 1.565 252 R CA -1.406 54.708 56.100 0.024 0.000 1.661 252 R CB 0.862 31.177 30.300 0.025 0.000 1.189 252 R HN -0.066 nan 8.270 nan 0.000 0.621 253 P HA -0.224 nan 4.420 nan 0.000 0.219 253 P C 1.142 178.453 177.300 0.018 0.000 1.146 253 P CA 1.055 64.163 63.100 0.014 0.000 0.808 253 P CB 0.353 32.060 31.700 0.011 0.000 0.779 254 Q N -0.572 119.239 119.800 0.019 0.000 2.046 254 Q HA -0.158 4.163 4.340 -0.032 0.000 0.200 254 Q C 2.018 178.034 176.000 0.026 0.000 0.975 254 Q CA 1.093 56.909 55.803 0.022 0.000 0.836 254 Q CB -0.599 28.151 28.738 0.019 0.000 0.896 254 Q HN 0.101 nan 8.270 nan 0.000 0.428 255 L N 1.081 122.319 121.223 0.025 0.000 2.056 255 L HA -0.155 4.166 4.340 -0.032 0.000 0.207 255 L C 2.517 179.408 176.870 0.035 0.000 1.078 255 L CA 1.814 56.671 54.840 0.028 0.000 0.749 255 L CB -0.592 41.481 42.059 0.023 0.000 0.901 255 L HN 0.163 nan 8.230 nan 0.000 0.433 256 R N -0.520 119.999 120.500 0.032 0.000 2.091 256 R HA -0.195 4.126 4.340 -0.032 0.000 0.238 256 R C 1.972 178.308 176.300 0.061 0.000 1.136 256 R CA 1.801 57.922 56.100 0.036 0.000 0.959 256 R CB -0.342 29.968 30.300 0.017 0.000 0.856 256 R HN 0.479 nan 8.270 nan 0.000 0.437 257 N N 1.124 119.856 118.700 0.053 0.000 2.084 257 N HA -0.190 4.531 4.740 -0.032 0.000 0.190 257 N C 1.755 177.327 175.510 0.104 0.000 1.030 257 N CA 1.154 54.253 53.050 0.081 0.000 0.849 257 N CB -0.489 38.030 38.487 0.053 0.000 1.012 257 N HN 0.188 nan 8.380 nan 0.000 0.423 258 L N 1.341 122.603 121.223 0.065 0.000 2.017 258 L HA -0.038 4.283 4.340 -0.032 0.000 0.208 258 L C 1.963 178.861 176.870 0.047 0.000 1.073 258 L CA 1.421 56.289 54.840 0.048 0.000 0.745 258 L CB -0.696 41.383 42.059 0.033 0.000 0.894 258 L HN 0.121 nan 8.230 nan 0.000 0.432 259 L N -0.986 120.271 121.223 0.056 0.000 2.201 259 L HA -0.214 4.106 4.340 -0.032 0.000 0.212 259 L C 2.648 179.554 176.870 0.060 0.000 1.105 259 L CA 1.282 56.152 54.840 0.050 0.000 0.775 259 L CB -1.011 41.079 42.059 0.051 0.000 0.913 259 L HN 0.539 nan 8.230 nan 0.000 0.440 260 H N 0.760 119.832 119.070 0.003 0.000 2.357 260 H HA -0.157 4.379 4.556 -0.032 0.000 0.301 260 H C 2.138 177.467 175.328 0.001 0.000 1.082 260 H CA 1.944 57.991 56.048 -0.001 0.000 1.342 260 H CB 0.509 30.270 29.762 -0.002 0.000 1.389 260 H HN 0.420 nan 8.280 nan 0.000 0.511 261 E N 0.923 121.054 120.200 -0.115 0.000 2.107 261 E HA 0.004 4.335 4.350 -0.032 0.000 0.191 261 E C 1.569 178.106 176.600 -0.105 0.000 0.982 261 E CA 1.488 57.809 56.400 -0.131 0.000 0.809 261 E CB -0.372 29.323 29.700 -0.009 0.000 0.756 261 E HN 0.642 nan 8.360 nan 0.000 0.459 262 K N 1.256 121.622 120.400 -0.057 0.000 2.842 262 K HA 0.472 4.772 4.320 -0.032 0.000 0.176 262 K C -2.268 174.319 176.600 -0.022 0.000 1.080 262 K CA -0.582 55.684 56.287 -0.035 0.000 0.954 262 K CB 0.719 33.211 32.500 -0.013 0.000 1.203 262 K HN 0.180 nan 8.250 nan 0.000 0.611 263 P HA -0.093 nan 4.420 nan 0.000 0.234 263 P C 1.308 178.609 177.300 0.002 0.000 1.167 263 P CA 1.468 64.560 63.100 -0.013 0.000 0.763 263 P CB 0.285 31.969 31.700 -0.026 0.000 0.835 264 E N 0.833 121.033 120.200 0.000 0.000 2.204 264 E HA -0.125 4.206 4.350 -0.032 0.000 0.195 264 E C 1.940 178.552 176.600 0.019 0.000 0.990 264 E CA 0.922 57.328 56.400 0.010 0.000 0.821 264 E CB -1.422 28.281 29.700 0.006 0.000 0.750 264 E HN 0.303 nan 8.360 nan 0.000 0.477 265 L N -0.327 120.907 121.223 0.018 0.000 2.599 265 L HA 0.171 4.492 4.340 -0.032 0.000 0.230 265 L C 2.420 179.311 176.870 0.035 0.000 1.141 265 L CA 0.118 54.973 54.840 0.026 0.000 0.877 265 L CB -0.161 41.911 42.059 0.022 0.000 1.009 265 L HN 0.290 nan 8.230 nan 0.000 0.447 266 I N 0.715 121.307 120.570 0.036 0.000 2.226 266 I HA -0.203 3.947 4.170 -0.032 0.000 0.245 266 I C -0.229 175.927 176.117 0.064 0.000 1.100 266 I CA 1.459 62.787 61.300 0.048 0.000 1.374 266 I CB -1.218 36.809 38.000 0.044 0.000 1.057 266 I HN 0.221 nan 8.210 nan 0.000 0.413 267 P HA -0.198 nan 4.420 nan 0.000 0.215 267 P C 1.481 178.830 177.300 0.083 0.000 1.157 267 P CA 1.897 65.045 63.100 0.081 0.000 0.868 267 P CB -0.028 31.715 31.700 0.071 0.000 0.788 268 A N -0.392 122.468 122.820 0.066 0.000 1.933 268 A HA -0.059 4.242 4.320 -0.032 0.000 0.218 268 A C 2.461 180.079 177.584 0.056 0.000 1.175 268 A CA 1.988 54.062 52.037 0.061 0.000 0.628 268 A CB -1.816 17.212 19.000 0.047 0.000 0.814 268 A HN 0.287 nan 8.150 nan 0.000 0.444 269 G N -0.671 108.161 108.800 0.054 0.000 2.402 269 G HA2 -0.064 3.877 3.960 -0.032 0.000 0.216 269 G HA3 -0.064 3.877 3.960 -0.032 0.000 0.216 269 G C 1.471 176.413 174.900 0.070 0.000 1.162 269 G CA 1.106 46.236 45.100 0.049 0.000 0.777 269 G HN 0.297 nan 8.290 nan 0.000 0.539 270 V N 0.615 120.589 119.914 0.101 0.000 2.407 270 V HA -0.134 3.966 4.120 -0.032 0.000 0.248 270 V C 2.701 178.882 176.094 0.146 0.000 1.055 270 V CA 2.138 64.535 62.300 0.162 0.000 1.049 270 V CB -0.238 31.700 31.823 0.193 0.000 0.662 270 V HN 0.329 nan 8.190 nan 0.000 0.455 271 E N 0.088 120.353 120.200 0.108 0.000 2.110 271 E HA -0.180 4.151 4.350 -0.032 0.000 0.193 271 E C 2.290 178.872 176.600 -0.031 0.000 0.988 271 E CA 1.096 57.548 56.400 0.087 0.000 0.804 271 E CB -0.146 29.642 29.700 0.146 0.000 0.745 271 E HN 0.527 nan 8.360 nan 0.000 0.458 272 E N -0.163 120.022 120.200 -0.025 0.000 2.106 272 E HA -0.113 4.218 4.350 -0.032 0.000 0.192 272 E C 2.248 178.795 176.600 -0.088 0.000 0.984 272 E CA 0.588 56.931 56.400 -0.095 0.000 0.806 272 E CB -0.169 29.490 29.700 -0.068 0.000 0.750 272 E HN 0.333 nan 8.360 nan 0.000 0.458 273 L N 0.513 121.747 121.223 0.018 0.000 2.131 273 L HA -0.157 4.163 4.340 -0.032 0.000 0.210 273 L C 2.532 179.518 176.870 0.192 0.000 1.092 273 L CA 0.636 55.537 54.840 0.103 0.000 0.759 273 L CB -0.348 41.794 42.059 0.138 0.000 0.903 273 L HN 0.085 nan 8.230 nan 0.000 0.435 274 L N -0.675 120.570 121.223 0.035 0.000 2.056 274 L HA -0.211 4.110 4.340 -0.032 0.000 0.207 274 L C 2.845 179.405 176.870 -0.515 0.000 1.078 274 L CA 1.191 55.800 54.840 -0.385 0.000 0.749 274 L CB -0.460 41.186 42.059 -0.689 0.000 0.901 274 L HN 0.226 nan 8.230 nan 0.000 0.433 275 R N 1.116 121.262 120.500 -0.591 0.000 2.091 275 R HA -0.183 4.138 4.340 -0.032 0.000 0.238 275 R C 2.055 178.106 176.300 -0.415 0.000 1.136 275 R CA 1.939 57.700 56.100 -0.566 0.000 0.959 275 R CB -0.329 29.611 30.300 -0.600 0.000 0.856 275 R HN 0.536 nan 8.270 nan 0.000 0.437 276 I N -0.218 120.159 120.570 -0.322 0.000 3.810 276 I HA 0.119 4.270 4.170 -0.032 0.000 0.322 276 I C -0.332 175.879 176.117 0.157 0.000 1.288 276 I CA -0.564 60.590 61.300 -0.243 0.000 1.143 276 I CB -0.545 37.336 38.000 -0.199 0.000 1.012 276 I HN 0.043 nan 8.210 nan 0.000 0.423 277 N N 1.554 120.321 118.700 0.111 0.000 2.520 277 N HA 0.209 4.930 4.740 -0.032 0.000 0.273 277 N C -0.026 175.612 175.510 0.213 0.000 1.155 277 N CA -0.367 52.808 53.050 0.208 0.000 0.967 277 N CB 1.070 39.738 38.487 0.301 0.000 1.092 277 N HN 0.338 nan 8.380 nan 0.000 0.457 278 L N 1.899 123.236 121.223 0.190 0.000 2.872 278 L HA 0.171 4.492 4.340 -0.032 0.000 0.245 278 L C 1.746 178.704 176.870 0.147 0.000 1.211 278 L CA -0.246 54.673 54.840 0.131 0.000 1.013 278 L CB -0.304 41.772 42.059 0.030 0.000 1.326 278 L HN 0.829 nan 8.230 nan 0.000 0.525 279 S N -0.123 115.706 115.700 0.216 0.000 2.382 279 S HA -0.089 4.362 4.470 -0.032 0.000 0.228 279 S C 0.696 175.393 174.600 0.161 0.000 1.027 279 S CA 0.537 58.863 58.200 0.210 0.000 0.991 279 S CB -0.382 62.968 63.200 0.251 0.000 0.823 279 S HN 0.176 nan 8.310 nan 0.000 0.469 280 F N 2.163 122.126 119.950 0.021 0.000 2.506 280 F HA 0.567 5.073 4.527 -0.035 0.000 0.371 280 F C 1.446 177.241 175.800 -0.008 0.000 1.078 280 F CA -0.578 57.417 58.000 -0.007 0.000 1.195 280 F CB 0.678 39.659 39.000 -0.033 0.000 1.099 280 F HN 0.229 nan 8.300 nan 0.000 0.548 281 A N 2.388 125.239 122.820 0.052 0.000 2.067 281 A HA 0.033 4.334 4.320 -0.032 0.000 0.217 281 A C 0.428 178.017 177.584 0.008 0.000 1.156 281 A CA 0.791 52.847 52.037 0.032 0.000 0.683 281 A CB -0.268 18.750 19.000 0.030 0.000 0.808 281 A HN 0.606 nan 8.150 nan 0.000 0.455 282 D N -1.551 118.867 120.400 0.029 0.000 2.547 282 D HA 0.451 5.072 4.640 -0.032 0.000 0.231 282 D C 0.191 176.507 176.300 0.027 0.000 1.099 282 D CA -0.068 53.927 54.000 -0.008 0.000 0.901 282 D CB 1.366 42.156 40.800 -0.017 0.000 1.478 282 D HN 0.147 nan 8.370 nan 0.000 0.471 283 G N 0.181 108.963 108.800 -0.031 0.000 2.630 283 G HA2 0.270 4.210 3.960 -0.032 0.000 0.236 283 G HA3 0.270 4.210 3.960 -0.032 0.000 0.236 283 G C 0.280 175.183 174.900 0.005 0.000 1.248 283 G CA -0.405 44.681 45.100 -0.023 0.000 0.844 283 G HN 0.372 nan 8.290 nan 0.000 0.588 284 L N 3.010 124.225 121.223 -0.013 0.000 2.418 284 L HA 0.217 4.538 4.340 -0.032 0.000 0.274 284 L C -1.634 175.223 176.870 -0.022 0.000 1.135 284 L CA -1.411 53.423 54.840 -0.010 0.000 0.870 284 L CB 0.899 42.928 42.059 -0.051 0.000 1.154 284 L HN 0.358 nan 8.230 nan 0.000 0.462 285 P HA 0.370 nan 4.420 nan 0.000 0.288 285 P C -1.008 176.290 177.300 -0.005 0.000 1.267 285 P CA -0.623 62.469 63.100 -0.013 0.000 0.815 285 P CB 1.517 33.207 31.700 -0.017 0.000 0.989 286 R N 1.967 122.481 120.500 0.024 0.000 2.651 286 R HA 0.533 4.854 4.340 -0.032 0.000 0.278 286 R C -1.049 175.327 176.300 0.127 0.000 1.010 286 R CA -1.112 55.035 56.100 0.078 0.000 0.896 286 R CB 1.734 32.101 30.300 0.111 0.000 1.211 286 R HN 0.427 nan 8.270 nan 0.000 0.456 287 L N 1.663 122.966 121.223 0.133 0.000 2.287 287 L HA 0.553 4.873 4.340 -0.032 0.000 0.287 287 L C -0.109 176.858 176.870 0.162 0.000 1.022 287 L CA -0.296 54.625 54.840 0.135 0.000 0.814 287 L CB 1.631 43.733 42.059 0.072 0.000 1.217 287 L HN 0.837 nan 8.230 nan 0.000 0.420 288 A N 2.477 125.414 122.820 0.195 0.000 2.520 288 A HA 0.349 4.650 4.320 -0.032 0.000 0.245 288 A C 1.056 178.627 177.584 -0.021 0.000 1.072 288 A CA 0.510 52.580 52.037 0.055 0.000 0.761 288 A CB -0.131 18.923 19.000 0.089 0.000 1.004 288 A HN 0.884 nan 8.150 nan 0.000 0.499 289 T N -0.797 113.697 114.554 -0.100 0.000 3.069 289 T HA 0.566 4.897 4.350 -0.032 0.000 0.252 289 T C 0.376 175.024 174.700 -0.086 0.000 1.053 289 T CA 0.574 62.632 62.100 -0.070 0.000 0.964 289 T CB -0.266 68.568 68.868 -0.056 0.000 1.005 289 T HN 1.712 nan 8.240 nan 0.000 0.532 290 A N 0.533 123.278 122.820 -0.126 0.000 2.599 290 A HA 0.610 4.911 4.320 -0.032 0.000 0.290 290 A C -1.887 175.631 177.584 -0.110 0.000 1.101 290 A CA -0.961 51.008 52.037 -0.113 0.000 0.674 290 A CB 0.795 19.713 19.000 -0.136 0.000 1.277 290 A HN 0.175 nan 8.150 nan 0.000 0.419 291 D N 0.897 121.253 120.400 -0.075 0.000 2.317 291 D HA 0.558 5.178 4.640 -0.032 0.000 0.252 291 D C -0.658 175.594 176.300 -0.080 0.000 1.174 291 D CA 0.850 54.816 54.000 -0.056 0.000 0.866 291 D CB 0.646 41.428 40.800 -0.029 0.000 1.127 291 D HN 0.398 nan 8.370 nan 0.000 0.467 292 I N 1.746 122.270 120.570 -0.077 0.000 2.534 292 I HA 0.101 4.252 4.170 -0.032 0.000 0.288 292 I C -0.203 175.914 176.117 0.000 0.000 1.077 292 I CA -1.021 60.239 61.300 -0.067 0.000 1.051 292 I CB 2.192 40.077 38.000 -0.192 0.000 1.234 292 I HN 0.012 nan 8.210 nan 0.000 0.425 293 Q N 5.040 124.835 119.800 -0.008 0.000 2.293 293 Q HA 0.405 4.725 4.340 -0.032 0.000 0.263 293 Q C -1.326 174.675 176.000 0.002 0.000 1.002 293 Q CA 0.025 55.814 55.803 -0.023 0.000 0.910 293 Q CB 1.072 29.794 28.738 -0.027 0.000 1.185 293 Q HN 0.490 nan 8.270 nan 0.000 0.401 294 V N 5.554 125.439 119.914 -0.048 0.000 2.357 294 V HA 0.638 4.739 4.120 -0.032 0.000 0.281 294 V C 0.865 176.902 176.094 -0.095 0.000 1.015 294 V CA 0.049 62.312 62.300 -0.061 0.000 0.827 294 V CB 0.344 32.108 31.823 -0.099 0.000 1.018 294 V HN 1.057 nan 8.190 nan 0.000 0.432 295 G N 4.895 113.661 108.800 -0.057 0.000 2.622 295 G HA2 -0.303 3.638 3.960 -0.032 0.000 0.307 295 G HA3 -0.303 3.638 3.960 -0.032 0.000 0.307 295 G C 0.447 175.312 174.900 -0.059 0.000 1.226 295 G CA 0.735 45.806 45.100 -0.048 0.000 0.997 295 G HN 0.619 nan 8.290 nan 0.000 0.551 296 D N 0.417 120.781 120.400 -0.061 0.000 2.349 296 D HA 0.258 4.879 4.640 -0.032 0.000 0.224 296 D C 0.829 177.067 176.300 -0.103 0.000 1.029 296 D CA 0.662 54.626 54.000 -0.060 0.000 0.879 296 D CB 0.311 41.092 40.800 -0.033 0.000 0.906 296 D HN 0.300 nan 8.370 nan 0.000 0.528 297 V N 1.590 121.394 119.914 -0.183 0.000 2.459 297 V HA 0.195 4.296 4.120 -0.032 0.000 0.295 297 V C -0.231 175.695 176.094 -0.280 0.000 1.029 297 V CA -1.016 61.094 62.300 -0.317 0.000 0.874 297 V CB 2.395 33.818 31.823 -0.666 0.000 0.985 297 V HN -0.095 nan 8.190 nan 0.000 0.438 298 L N 7.023 128.118 121.223 -0.214 0.000 2.282 298 L HA 0.433 4.754 4.340 -0.032 0.000 0.287 298 L C -0.062 176.702 176.870 -0.177 0.000 1.075 298 L CA 0.351 55.106 54.840 -0.142 0.000 0.839 298 L CB 0.912 42.933 42.059 -0.064 0.000 1.219 298 L HN 0.462 nan 8.230 nan 0.000 0.434 299 V N 5.909 125.706 119.914 -0.194 0.000 2.572 299 V HA 0.269 4.370 4.120 -0.032 0.000 0.291 299 V C 0.722 176.837 176.094 0.036 0.000 1.039 299 V CA -0.340 61.892 62.300 -0.113 0.000 1.055 299 V CB 0.770 32.585 31.823 -0.013 0.000 0.969 299 V HN 0.758 nan 8.190 nan 0.000 0.482 300 R N 3.774 124.348 120.500 0.123 0.000 2.486 300 R HA 0.336 4.657 4.340 -0.032 0.000 0.286 300 R C 0.251 176.603 176.300 0.087 0.000 0.999 300 R CA -0.828 55.327 56.100 0.092 0.000 0.993 300 R CB 0.755 31.121 30.300 0.110 0.000 1.084 300 R HN 0.741 nan 8.270 nan 0.000 0.487 301 K N 1.856 122.278 120.400 0.037 0.000 2.530 301 K HA -0.086 4.215 4.320 -0.032 0.000 0.280 301 K C 0.402 177.030 176.600 0.048 0.000 1.004 301 K CA 1.659 57.959 56.287 0.023 0.000 1.071 301 K CB 0.063 32.562 32.500 -0.000 0.000 0.876 301 K HN 0.866 nan 8.250 nan 0.000 0.487 302 G N 2.761 111.592 108.800 0.052 0.000 2.175 302 G HA2 -0.245 3.696 3.960 -0.032 0.000 0.244 302 G HA3 -0.245 3.696 3.960 -0.032 0.000 0.244 302 G C -0.301 174.647 174.900 0.080 0.000 0.982 302 G CA 0.189 45.322 45.100 0.055 0.000 0.641 302 G HN 0.678 nan 8.290 nan 0.000 0.527 303 E N -0.249 120.029 120.200 0.130 0.000 2.313 303 E HA 0.560 4.890 4.350 -0.032 0.000 0.272 303 E C -0.207 176.506 176.600 0.188 0.000 1.038 303 E CA -0.855 55.649 56.400 0.173 0.000 0.863 303 E CB 1.806 31.692 29.700 0.310 0.000 1.060 303 E HN 0.209 nan 8.360 nan 0.000 0.402 304 L N 3.040 124.341 121.223 0.131 0.000 2.292 304 L HA 0.280 4.601 4.340 -0.032 0.000 0.284 304 L C -1.140 175.820 176.870 0.150 0.000 1.065 304 L CA -0.322 54.582 54.840 0.106 0.000 0.806 304 L CB 1.259 43.334 42.059 0.027 0.000 1.175 304 L HN 0.235 nan 8.230 nan 0.000 0.431 305 V N 6.345 126.340 119.914 0.134 0.000 2.604 305 V HA 0.480 4.581 4.120 -0.032 0.000 0.305 305 V C -0.303 175.800 176.094 0.016 0.000 1.043 305 V CA -0.630 61.729 62.300 0.099 0.000 0.888 305 V CB 1.790 33.608 31.823 -0.008 0.000 0.995 305 V HN 0.595 nan 8.190 nan 0.000 0.429 306 L N 4.709 125.935 121.223 0.004 0.000 2.319 306 L HA 0.565 4.886 4.340 -0.032 0.000 0.281 306 L C -0.629 176.213 176.870 -0.048 0.000 1.005 306 L CA -0.779 54.044 54.840 -0.028 0.000 0.828 306 L CB 1.970 44.007 42.059 -0.036 0.000 1.227 306 L HN 0.355 nan 8.230 nan 0.000 0.415 307 V N 4.721 124.596 119.914 -0.065 0.000 2.339 307 V HA 0.150 4.250 4.120 -0.032 0.000 0.261 307 V C 0.151 176.207 176.094 -0.064 0.000 1.058 307 V CA -0.386 61.866 62.300 -0.080 0.000 0.897 307 V CB 1.341 33.102 31.823 -0.104 0.000 1.052 307 V HN 0.443 nan 8.190 nan 0.000 0.480 308 L N 6.112 127.307 121.223 -0.047 0.000 2.407 308 L HA 0.258 4.579 4.340 -0.032 0.000 0.282 308 L C 1.123 177.986 176.870 -0.011 0.000 1.110 308 L CA 0.640 55.462 54.840 -0.031 0.000 0.863 308 L CB 0.372 42.419 42.059 -0.021 0.000 1.207 308 L HN 0.556 nan 8.230 nan 0.000 0.454 309 L N 3.594 124.802 121.223 -0.024 0.000 2.042 309 L HA -0.166 4.155 4.340 -0.032 0.000 0.210 309 L C 2.256 179.175 176.870 0.081 0.000 1.076 309 L CA 1.402 56.230 54.840 -0.019 0.000 0.749 309 L CB -0.569 41.428 42.059 -0.104 0.000 0.893 309 L HN 0.776 nan 8.230 nan 0.000 0.432 310 E N 0.694 120.965 120.200 0.118 0.000 2.338 310 E HA -0.132 4.199 4.350 -0.032 0.000 0.197 310 E C 1.997 178.744 176.600 0.246 0.000 1.007 310 E CA 1.233 57.777 56.400 0.241 0.000 0.849 310 E CB -0.370 29.393 29.700 0.106 0.000 0.774 310 E HN 0.427 nan 8.360 nan 0.000 0.506 311 G N 1.705 110.592 108.800 0.146 0.000 2.421 311 G HA2 -0.185 3.756 3.960 -0.032 0.000 0.216 311 G HA3 -0.185 3.756 3.960 -0.032 0.000 0.216 311 G C 1.808 176.834 174.900 0.210 0.000 1.171 311 G CA 1.510 46.700 45.100 0.150 0.000 0.775 311 G HN 0.470 nan 8.290 nan 0.000 0.543 312 A N 1.125 124.052 122.820 0.178 0.000 1.873 312 A HA -0.047 4.254 4.320 -0.032 0.000 0.215 312 A C 2.141 179.987 177.584 0.436 0.000 1.186 312 A CA 1.729 53.906 52.037 0.233 0.000 0.616 312 A CB -0.548 18.474 19.000 0.036 0.000 0.823 312 A HN 0.491 nan 8.150 nan 0.000 0.442 313 N N -1.890 117.044 118.700 0.390 0.000 2.457 313 N HA 0.046 4.766 4.740 -0.032 0.000 0.180 313 N C 0.135 175.794 175.510 0.248 0.000 1.050 313 N CA 0.560 53.836 53.050 0.377 0.000 0.906 313 N CB -0.009 38.566 38.487 0.148 0.000 0.968 313 N HN 0.443 nan 8.380 nan 0.000 0.445 314 F N 0.364 120.443 119.950 0.215 0.000 2.647 314 F HA 0.175 4.684 4.527 -0.031 0.000 0.300 314 F C 0.428 176.346 175.800 0.197 0.000 1.106 314 F CA -0.623 57.481 58.000 0.173 0.000 1.313 314 F CB 0.164 39.224 39.000 0.099 0.000 1.007 314 F HN -0.146 nan 8.300 nan 0.000 0.536 315 D N 2.920 123.552 120.400 0.388 0.000 2.339 315 D HA 0.064 4.685 4.640 -0.032 0.000 0.256 315 D C -1.471 174.960 176.300 0.218 0.000 1.214 315 D CA -2.232 51.930 54.000 0.270 0.000 0.877 315 D CB 1.408 42.364 40.800 0.259 0.000 1.111 315 D HN 0.031 nan 8.370 nan 0.000 0.478 316 P HA -0.115 nan 4.420 nan 0.000 0.222 316 P C 0.656 177.988 177.300 0.052 0.000 1.147 316 P CA 0.798 63.967 63.100 0.114 0.000 0.790 316 P CB 0.449 32.205 31.700 0.095 0.000 0.780 317 E N -1.005 119.220 120.200 0.042 0.000 2.274 317 E HA -0.181 4.150 4.350 -0.032 0.000 0.194 317 E C 1.721 178.267 176.600 -0.090 0.000 0.996 317 E CA 1.004 57.399 56.400 -0.008 0.000 0.840 317 E CB -0.467 29.242 29.700 0.016 0.000 0.772 317 E HN 0.512 nan 8.360 nan 0.000 0.491 318 H N -1.202 117.716 119.070 -0.253 0.000 2.545 318 H HA 0.185 4.723 4.556 -0.031 0.000 0.283 318 H C -0.200 174.725 175.328 -0.671 0.000 0.997 318 H CA 0.281 55.969 56.048 -0.600 0.000 1.269 318 H CB 0.549 29.642 29.762 -1.114 0.000 1.451 318 H HN -0.105 nan 8.280 nan 0.000 0.508 319 F N 1.962 121.877 119.950 -0.059 0.000 2.564 319 F HA 0.354 4.861 4.527 -0.033 0.000 0.368 319 F C -2.425 173.351 175.800 -0.040 0.000 1.127 319 F CA -2.599 55.362 58.000 -0.065 0.000 1.170 319 F CB 1.414 40.408 39.000 -0.009 0.000 1.397 319 F HN -0.010 nan 8.300 nan 0.000 0.493 320 P HA -0.078 nan 4.420 nan 0.000 0.266 320 P C 0.116 177.457 177.300 0.069 0.000 1.195 320 P CA 0.396 63.531 63.100 0.059 0.000 0.768 320 P CB 0.414 32.124 31.700 0.017 0.000 0.838 321 N N 2.500 121.238 118.700 0.063 0.000 2.671 321 N HA -0.136 4.585 4.740 -0.032 0.000 0.261 321 N C -1.337 174.208 175.510 0.057 0.000 1.053 321 N CA 0.291 53.376 53.050 0.057 0.000 0.732 321 N CB -0.665 37.845 38.487 0.038 0.000 0.887 321 N HN 0.296 nan 8.380 nan 0.000 0.546 322 P HA -0.055 nan 4.420 nan 0.000 0.220 322 P C 1.380 178.661 177.300 -0.031 0.000 1.148 322 P CA 1.605 64.731 63.100 0.043 0.000 0.803 322 P CB -0.214 31.581 31.700 0.159 0.000 0.782 323 G N -0.633 108.234 108.800 0.111 0.000 2.744 323 G HA2 -0.033 3.908 3.960 -0.032 0.000 0.211 323 G HA3 -0.033 3.908 3.960 -0.032 0.000 0.211 323 G C 0.527 175.458 174.900 0.052 0.000 1.143 323 G CA 0.092 45.286 45.100 0.156 0.000 0.788 323 G HN 0.242 nan 8.290 nan 0.000 0.534 324 S N -0.126 115.577 115.700 0.006 0.000 2.508 324 S HA 0.465 4.916 4.470 -0.032 0.000 0.284 324 S C -0.023 174.551 174.600 -0.043 0.000 1.192 324 S CA -0.467 57.731 58.200 -0.004 0.000 1.070 324 S CB 1.538 64.744 63.200 0.010 0.000 1.004 324 S HN 0.131 nan 8.310 nan 0.000 0.493 325 I N 3.550 124.101 120.570 -0.031 0.000 2.363 325 I HA 0.146 4.297 4.170 -0.032 0.000 0.292 325 I C 0.261 176.365 176.117 -0.022 0.000 1.075 325 I CA 0.278 61.553 61.300 -0.042 0.000 1.333 325 I CB 0.329 38.315 38.000 -0.024 0.000 1.415 325 I HN 0.537 nan 8.210 nan 0.000 0.502 326 E N 7.105 127.288 120.200 -0.028 0.000 2.191 326 E HA 0.282 4.612 4.350 -0.032 0.000 0.263 326 E C 0.167 176.766 176.600 -0.002 0.000 0.881 326 E CA -0.526 55.870 56.400 -0.007 0.000 0.757 326 E CB 2.193 31.892 29.700 -0.002 0.000 1.147 326 E HN 0.595 nan 8.360 nan 0.000 0.414 327 L N 1.777 123.006 121.223 0.008 0.000 2.591 327 L HA 0.008 4.329 4.340 -0.032 0.000 0.228 327 L C 0.593 177.476 176.870 0.022 0.000 1.133 327 L CA 0.451 55.301 54.840 0.017 0.000 0.880 327 L CB -0.317 41.754 42.059 0.019 0.000 1.033 327 L HN 0.449 nan 8.230 nan 0.000 0.450 328 D N -1.237 119.175 120.400 0.021 0.000 2.696 328 D HA 0.077 4.698 4.640 -0.032 0.000 0.269 328 D C 0.430 176.745 176.300 0.025 0.000 1.319 328 D CA -0.428 53.585 54.000 0.022 0.000 0.826 328 D CB 0.084 40.894 40.800 0.017 0.000 1.086 328 D HN 0.024 nan 8.370 nan 0.000 0.481 329 R N 1.345 121.866 120.500 0.035 0.000 2.643 329 R HA 0.200 4.521 4.340 -0.032 0.000 0.270 329 R C -1.182 175.145 176.300 0.044 0.000 1.061 329 R CA -0.902 55.227 56.100 0.048 0.000 1.107 329 R CB 0.524 30.874 30.300 0.084 0.000 0.999 329 R HN 0.056 nan 8.270 nan 0.000 0.460 330 P HA -0.080 nan 4.420 nan 0.000 0.231 330 P C -0.517 176.794 177.300 0.020 0.000 1.168 330 P CA 1.152 64.257 63.100 0.010 0.000 0.779 330 P CB 0.061 31.749 31.700 -0.021 0.000 0.844 331 N N -0.887 117.844 118.700 0.051 0.000 2.610 331 N HA 0.190 4.911 4.740 -0.032 0.000 0.307 331 N C -1.731 173.918 175.510 0.232 0.000 1.813 331 N CA -1.422 51.681 53.050 0.088 0.000 0.901 331 N CB 0.490 38.956 38.487 -0.036 0.000 1.354 331 N HN -0.006 nan 8.380 nan 0.000 0.491 332 P HA -0.137 nan 4.420 nan 0.000 0.219 332 P C 1.163 178.613 177.300 0.251 0.000 1.150 332 P CA 1.489 64.710 63.100 0.202 0.000 0.814 332 P CB 0.124 31.900 31.700 0.127 0.000 0.787 333 T N -3.645 111.013 114.554 0.174 0.000 3.086 333 T HA 0.083 4.413 4.350 -0.032 0.000 0.250 333 T C 1.534 176.181 174.700 -0.087 0.000 1.074 333 T CA 0.410 62.548 62.100 0.063 0.000 0.988 333 T CB -0.899 68.013 68.868 0.073 0.000 0.988 333 T HN 0.122 nan 8.240 nan 0.000 0.530 334 S N 1.116 116.899 115.700 0.138 0.000 2.607 334 S HA 0.022 4.473 4.470 -0.032 0.000 0.224 334 S C 0.683 175.491 174.600 0.347 0.000 0.969 334 S CA -0.460 57.872 58.200 0.220 0.000 0.927 334 S CB -1.108 62.293 63.200 0.334 0.000 0.772 334 S HN 0.907 nan 8.310 nan 0.000 0.533 335 H N 0.359 119.729 119.070 0.501 0.000 2.660 335 H HA 0.436 4.972 4.556 -0.033 0.000 0.374 335 H C 0.595 176.059 175.328 0.227 0.000 1.291 335 H CA -0.851 55.456 56.048 0.432 0.000 1.437 335 H CB 0.212 30.055 29.762 0.136 0.000 1.509 335 H HN 0.113 nan 8.280 nan 0.000 0.614 336 L N 0.884 122.290 121.223 0.305 0.000 2.791 336 L HA 0.302 4.623 4.340 -0.032 0.000 0.239 336 L C 1.907 178.800 176.870 0.038 0.000 1.203 336 L CA 0.293 55.205 54.840 0.118 0.000 1.002 336 L CB -0.326 41.720 42.059 -0.022 0.000 1.295 336 L HN 0.891 nan 8.230 nan 0.000 0.504 337 A N 0.242 123.138 122.820 0.126 0.000 2.024 337 A HA -0.145 4.155 4.320 -0.032 0.000 0.220 337 A C 1.491 178.742 177.584 -0.554 0.000 1.164 337 A CA 1.596 53.428 52.037 -0.340 0.000 0.643 337 A CB -0.382 18.215 19.000 -0.672 0.000 0.806 337 A HN 0.402 nan 8.150 nan 0.000 0.451 338 F N -0.768 119.096 119.950 -0.142 0.000 2.639 338 F HA 0.447 4.955 4.527 -0.032 0.000 0.302 338 F C 1.512 177.026 175.800 -0.476 0.000 1.097 338 F CA 0.120 57.877 58.000 -0.406 0.000 1.294 338 F CB -0.204 38.433 39.000 -0.606 0.000 1.027 338 F HN 0.454 nan 8.300 nan 0.000 0.550 339 G N 1.170 109.894 108.800 -0.126 0.000 2.632 339 G HA2 -0.068 3.873 3.960 -0.032 0.000 0.224 339 G HA3 -0.068 3.873 3.960 -0.032 0.000 0.224 339 G C -0.816 174.196 174.900 0.186 0.000 1.341 339 G CA -0.506 44.569 45.100 -0.042 0.000 0.880 339 G HN 0.476 nan 8.290 nan 0.000 0.566 340 R N -0.777 119.852 120.500 0.215 0.000 2.644 340 R HA 0.679 5.000 4.340 -0.032 0.000 0.257 340 R C 0.604 177.002 176.300 0.162 0.000 1.082 340 R CA 1.636 57.870 56.100 0.224 0.000 0.927 340 R CB 0.871 31.206 30.300 0.059 0.000 1.258 340 R HN 2.911 nan 8.270 nan 0.000 0.459 341 G N 2.417 111.288 108.800 0.119 0.000 2.527 341 G HA2 -0.339 3.602 3.960 -0.032 0.000 0.227 341 G HA3 -0.339 3.602 3.960 -0.032 0.000 0.227 341 G C 0.357 175.286 174.900 0.048 0.000 1.291 341 G CA 0.484 45.620 45.100 0.060 0.000 0.904 341 G HN 0.739 nan 8.290 nan 0.000 0.577 342 Q N -0.854 118.928 119.800 -0.030 0.000 2.152 342 Q HA -0.134 4.187 4.340 -0.032 0.000 0.206 342 Q C 1.972 177.786 176.000 -0.310 0.000 0.985 342 Q CA 2.769 58.453 55.803 -0.198 0.000 0.863 342 Q CB -0.277 28.270 28.738 -0.319 0.000 0.904 342 Q HN 0.732 nan 8.270 nan 0.000 0.422 343 H N -1.169 117.962 119.070 0.102 0.000 2.519 343 H HA 0.092 4.630 4.556 -0.029 0.000 0.289 343 H C -0.569 174.820 175.328 0.102 0.000 1.040 343 H CA -0.394 55.708 56.048 0.090 0.000 1.165 343 H CB -0.563 29.233 29.762 0.056 0.000 1.462 343 H HN 0.212 nan 8.280 nan 0.000 0.555 344 F N 1.995 121.981 119.950 0.059 0.000 2.623 344 F HA -0.069 4.439 4.527 -0.032 0.000 0.383 344 F C 0.874 176.710 175.800 0.060 0.000 1.077 344 F CA -0.474 57.559 58.000 0.054 0.000 1.268 344 F CB 0.415 39.427 39.000 0.020 0.000 1.053 344 F HN 0.140 nan 8.300 nan 0.000 0.571 345 C N 10.480 129.416 119.300 -0.606 0.000 2.409 345 C HA 0.031 4.472 4.460 -0.032 0.000 0.398 345 C C -0.642 174.234 174.990 -0.190 0.000 1.507 345 C CA -1.018 57.786 59.018 -0.357 0.000 1.460 345 C CB -0.518 27.018 27.740 -0.340 0.000 2.472 345 C HN 0.786 nan 8.230 nan 0.000 0.614 346 P HA 0.085 nan 4.420 nan 0.000 0.233 346 P C 1.005 178.335 177.300 0.051 0.000 1.167 346 P CA 1.433 64.586 63.100 0.089 0.000 0.770 346 P CB 0.019 31.840 31.700 0.202 0.000 0.837 347 G N 0.399 109.185 108.800 -0.023 0.000 3.337 347 G HA2 0.027 3.968 3.960 -0.032 0.000 0.246 347 G HA3 0.027 3.968 3.960 -0.032 0.000 0.246 347 G C 1.419 176.219 174.900 -0.167 0.000 1.131 347 G CA 0.463 45.551 45.100 -0.020 0.000 0.773 347 G HN 0.333 nan 8.290 nan 0.000 0.544 348 S N 1.020 116.475 115.700 -0.408 0.000 2.359 348 S HA -0.102 4.348 4.470 -0.032 0.000 0.224 348 S C 2.573 176.893 174.600 -0.467 0.000 1.035 348 S CA 1.514 59.127 58.200 -0.979 0.000 1.018 348 S CB -0.453 62.000 63.200 -1.245 0.000 0.876 348 S HN 0.478 nan 8.310 nan 0.000 0.448 349 A N 1.398 124.099 122.820 -0.198 0.000 1.930 349 A HA 0.159 4.460 4.320 -0.032 0.000 0.217 349 A C 2.236 179.819 177.584 -0.003 0.000 1.175 349 A CA 1.408 53.409 52.037 -0.061 0.000 0.627 349 A CB -0.778 18.212 19.000 -0.016 0.000 0.815 349 A HN 0.519 nan 8.150 nan 0.000 0.443 350 L N -0.065 121.157 121.223 -0.003 0.000 2.093 350 L HA 0.049 4.370 4.340 -0.032 0.000 0.208 350 L C 2.378 179.305 176.870 0.096 0.000 1.085 350 L CA 2.072 56.936 54.840 0.040 0.000 0.755 350 L CB -0.899 41.172 42.059 0.021 0.000 0.904 350 L HN 0.293 nan 8.230 nan 0.000 0.435 351 G N -0.893 107.962 108.800 0.093 0.000 2.418 351 G HA2 -0.239 3.701 3.960 -0.032 0.000 0.217 351 G HA3 -0.239 3.701 3.960 -0.032 0.000 0.217 351 G C 1.744 176.809 174.900 0.275 0.000 1.158 351 G CA 0.679 45.900 45.100 0.201 0.000 0.771 351 G HN 0.342 nan 8.290 nan 0.000 0.545 352 R N -0.376 120.261 120.500 0.228 0.000 2.083 352 R HA -0.062 4.259 4.340 -0.032 0.000 0.237 352 R C 2.711 179.136 176.300 0.208 0.000 1.137 352 R CA 1.473 57.718 56.100 0.241 0.000 0.951 352 R CB -0.239 30.175 30.300 0.190 0.000 0.851 352 R HN 0.146 nan 8.270 nan 0.000 0.434 353 R N -0.070 120.527 120.500 0.162 0.000 2.092 353 R HA -0.113 4.207 4.340 -0.032 0.000 0.231 353 R C 2.282 178.677 176.300 0.157 0.000 1.119 353 R CA 1.435 57.617 56.100 0.136 0.000 0.970 353 R CB -0.661 29.700 30.300 0.102 0.000 0.864 353 R HN 0.400 nan 8.270 nan 0.000 0.440 354 H N -0.407 118.722 119.070 0.097 0.000 2.319 354 H HA -0.129 4.408 4.556 -0.032 0.000 0.299 354 H C 1.447 176.833 175.328 0.098 0.000 1.092 354 H CA 2.039 58.139 56.048 0.086 0.000 1.302 354 H CB 0.069 29.892 29.762 0.102 0.000 1.373 354 H HN 0.281 nan 8.280 nan 0.000 0.497 355 A N 0.817 123.774 122.820 0.229 0.000 1.897 355 A HA -0.154 4.147 4.320 -0.032 0.000 0.215 355 A C 2.494 180.132 177.584 0.090 0.000 1.181 355 A CA 1.345 53.484 52.037 0.172 0.000 0.620 355 A CB -0.520 18.738 19.000 0.430 0.000 0.821 355 A HN 0.577 nan 8.150 nan 0.000 0.443 356 Q N -0.370 119.501 119.800 0.118 0.000 2.061 356 Q HA -0.133 4.188 4.340 -0.032 0.000 0.204 356 Q C 2.013 178.039 176.000 0.042 0.000 0.984 356 Q CA 1.796 57.649 55.803 0.083 0.000 0.846 356 Q CB -0.337 28.456 28.738 0.092 0.000 0.902 356 Q HN 0.727 nan 8.270 nan 0.000 0.421 357 I N 0.091 120.674 120.570 0.021 0.000 2.286 357 I HA -0.161 3.990 4.170 -0.032 0.000 0.245 357 I C 2.321 178.430 176.117 -0.014 0.000 1.104 357 I CA 0.952 62.253 61.300 0.001 0.000 1.397 357 I CB -0.606 37.391 38.000 -0.004 0.000 1.072 357 I HN 0.300 nan 8.210 nan 0.000 0.417 358 G N 1.374 110.128 108.800 -0.077 0.000 2.446 358 G HA2 -0.224 3.717 3.960 -0.032 0.000 0.217 358 G HA3 -0.224 3.717 3.960 -0.032 0.000 0.217 358 G C 1.695 176.667 174.900 0.120 0.000 1.168 358 G CA 0.725 45.813 45.100 -0.021 0.000 0.771 358 G HN 0.301 nan 8.290 nan 0.000 0.551 359 I N 0.388 120.993 120.570 0.057 0.000 2.252 359 I HA -0.119 4.032 4.170 -0.032 0.000 0.245 359 I C 2.672 178.813 176.117 0.040 0.000 1.102 359 I CA 1.402 62.734 61.300 0.053 0.000 1.385 359 I CB -0.177 37.846 38.000 0.039 0.000 1.064 359 I HN 0.319 nan 8.210 nan 0.000 0.414 360 E N 1.335 121.557 120.200 0.037 0.000 2.077 360 E HA -0.247 4.083 4.350 -0.032 0.000 0.193 360 E C 2.264 178.875 176.600 0.018 0.000 0.989 360 E CA 1.368 57.785 56.400 0.027 0.000 0.800 360 E CB -0.013 29.701 29.700 0.023 0.000 0.746 360 E HN 0.480 nan 8.360 nan 0.000 0.452 361 A N 1.073 123.906 122.820 0.021 0.000 1.898 361 A HA -0.136 4.165 4.320 -0.032 0.000 0.216 361 A C 2.146 179.697 177.584 -0.055 0.000 1.181 361 A CA 1.183 53.221 52.037 0.001 0.000 0.620 361 A CB -0.646 18.374 19.000 0.033 0.000 0.819 361 A HN 0.388 nan 8.150 nan 0.000 0.442 362 L N -0.189 120.994 121.223 -0.067 0.000 2.012 362 L HA -0.124 4.197 4.340 -0.032 0.000 0.210 362 L C 2.256 179.048 176.870 -0.131 0.000 1.073 362 L CA 1.800 56.523 54.840 -0.194 0.000 0.748 362 L CB -0.347 41.589 42.059 -0.204 0.000 0.891 362 L HN 0.396 nan 8.230 nan 0.000 0.431 363 L N -0.428 120.773 121.223 -0.037 0.000 2.201 363 L HA -0.155 4.166 4.340 -0.032 0.000 0.212 363 L C 2.961 179.884 176.870 0.088 0.000 1.105 363 L CA 1.343 56.199 54.840 0.026 0.000 0.775 363 L CB -0.983 41.136 42.059 0.099 0.000 0.913 363 L HN 0.343 nan 8.230 nan 0.000 0.440 364 K N 0.292 120.726 120.400 0.056 0.000 2.062 364 K HA -0.106 4.195 4.320 -0.032 0.000 0.205 364 K C 2.065 178.663 176.600 -0.004 0.000 1.051 364 K CA 0.995 57.321 56.287 0.064 0.000 0.941 364 K CB -0.304 32.208 32.500 0.019 0.000 0.719 364 K HN 0.187 nan 8.250 nan 0.000 0.440 365 K N -0.880 119.469 120.400 -0.085 0.000 2.186 365 K HA 0.197 4.497 4.320 -0.032 0.000 0.202 365 K C 0.620 177.095 176.600 -0.208 0.000 1.052 365 K CA 0.782 56.977 56.287 -0.154 0.000 0.965 365 K CB 0.391 32.751 32.500 -0.233 0.000 0.746 365 K HN 0.419 nan 8.250 nan 0.000 0.457 366 M N 1.523 120.992 119.600 -0.218 0.000 2.720 366 M HA 0.153 4.614 4.480 -0.032 0.000 0.250 366 M C -2.084 174.140 176.300 -0.127 0.000 1.280 366 M CA -1.294 53.881 55.300 -0.209 0.000 0.579 366 M CB 1.782 34.171 32.600 -0.353 0.000 1.469 366 M HN -0.212 nan 8.290 nan 0.000 0.416 367 P HA -0.059 nan 4.420 nan 0.000 0.222 367 P C 1.137 178.333 177.300 -0.174 0.000 1.147 367 P CA 1.228 64.154 63.100 -0.290 0.000 0.790 367 P CB 0.159 31.518 31.700 -0.567 0.000 0.780 368 G N 0.242 109.008 108.800 -0.057 0.000 3.448 368 G HA2 0.246 4.187 3.960 -0.032 0.000 0.261 368 G HA3 0.246 4.187 3.960 -0.032 0.000 0.261 368 G C 0.284 175.219 174.900 0.059 0.000 1.173 368 G CA -0.203 44.896 45.100 -0.002 0.000 0.835 368 G HN 0.130 nan 8.290 nan 0.000 0.534 369 V N -0.186 119.764 119.914 0.059 0.000 2.720 369 V HA 0.308 4.409 4.120 -0.032 0.000 0.307 369 V C -0.045 176.080 176.094 0.052 0.000 1.071 369 V CA -0.446 61.907 62.300 0.089 0.000 1.199 369 V CB 0.992 32.828 31.823 0.020 0.000 0.900 369 V HN 0.216 nan 8.190 nan 0.000 0.494 370 D N 1.930 122.367 120.400 0.062 0.000 2.599 370 D HA 0.437 5.058 4.640 -0.032 0.000 0.252 370 D C -0.572 175.748 176.300 0.034 0.000 1.232 370 D CA -0.772 53.247 54.000 0.032 0.000 0.819 370 D CB 1.690 42.499 40.800 0.014 0.000 1.401 370 D HN 0.554 nan 8.370 nan 0.000 0.429 371 L N 1.204 122.440 121.223 0.023 0.000 2.514 371 L HA 0.313 4.633 4.340 -0.032 0.000 0.280 371 L C 1.361 178.233 176.870 0.003 0.000 1.223 371 L CA 0.014 54.864 54.840 0.017 0.000 0.864 371 L CB 0.614 42.684 42.059 0.017 0.000 1.118 371 L HN 0.606 nan 8.230 nan 0.000 0.494 372 A N 3.428 126.246 122.820 -0.003 0.000 2.238 372 A HA 0.321 4.622 4.320 -0.032 0.000 0.210 372 A C 0.348 177.918 177.584 -0.022 0.000 1.179 372 A CA 0.279 52.303 52.037 -0.023 0.000 0.827 372 A CB 0.025 19.005 19.000 -0.034 0.000 0.856 372 A HN 0.517 nan 8.150 nan 0.000 0.488 373 V N -4.253 115.653 119.914 -0.013 0.000 2.962 373 V HA 0.673 4.774 4.120 -0.032 0.000 0.313 373 V C -3.295 172.799 176.094 0.001 0.000 1.099 373 V CA -2.856 59.438 62.300 -0.011 0.000 0.971 373 V CB 1.199 33.013 31.823 -0.015 0.000 1.028 373 V HN 0.038 nan 8.190 nan 0.000 0.430 374 P HA 0.222 nan 4.420 nan 0.000 0.265 374 P C 0.927 178.246 177.300 0.031 0.000 1.187 374 P CA 0.183 63.294 63.100 0.017 0.000 0.766 374 P CB 0.557 32.267 31.700 0.015 0.000 0.820 375 I N 1.846 122.443 120.570 0.046 0.000 2.335 375 I HA -0.287 3.864 4.170 -0.032 0.000 0.251 375 I C 1.049 177.232 176.117 0.109 0.000 1.129 375 I CA 1.728 63.075 61.300 0.078 0.000 1.402 375 I CB -0.006 38.050 38.000 0.093 0.000 1.069 375 I HN 0.266 nan 8.210 nan 0.000 0.424 376 D N 0.460 120.914 120.400 0.091 0.000 2.263 376 D HA -0.170 4.451 4.640 -0.032 0.000 0.208 376 D C 1.960 178.315 176.300 0.092 0.000 0.971 376 D CA 0.752 54.814 54.000 0.105 0.000 0.867 376 D CB -0.153 40.688 40.800 0.070 0.000 0.929 376 D HN 0.440 nan 8.370 nan 0.000 0.492 377 Q N -0.118 119.713 119.800 0.052 0.000 2.472 377 Q HA 0.081 4.402 4.340 -0.032 0.000 0.208 377 Q C 0.670 176.660 176.000 -0.017 0.000 0.958 377 Q CA 0.041 55.856 55.803 0.019 0.000 0.932 377 Q CB 0.205 28.945 28.738 0.002 0.000 1.007 377 Q HN 0.386 nan 8.270 nan 0.000 0.508 378 L N 0.993 122.200 121.223 -0.027 0.000 2.456 378 L HA 0.067 4.388 4.340 -0.032 0.000 0.272 378 L C 0.092 176.799 176.870 -0.271 0.000 1.189 378 L CA -0.274 54.445 54.840 -0.201 0.000 0.846 378 L CB 0.502 42.376 42.059 -0.309 0.000 1.111 378 L HN -0.213 nan 8.230 nan 0.000 0.475 379 V N 2.322 122.028 119.914 -0.347 0.000 2.333 379 V HA 0.153 4.254 4.120 -0.032 0.000 0.274 379 V C -0.517 175.377 176.094 -0.335 0.000 1.028 379 V CA -0.472 61.697 62.300 -0.220 0.000 0.851 379 V CB 0.575 32.321 31.823 -0.129 0.000 1.000 379 V HN 0.549 nan 8.190 nan 0.000 0.456 380 W N 4.481 125.777 121.300 -0.006 0.000 2.335 380 W HA 0.500 5.140 4.660 -0.033 0.000 0.306 380 W C 0.834 177.344 176.519 -0.015 0.000 1.216 380 W CA -0.546 56.796 57.345 -0.005 0.000 1.237 380 W CB 0.515 29.981 29.460 0.010 0.000 1.243 380 W HN 0.436 nan 8.180 nan 0.000 0.493 381 R N 2.548 123.128 120.500 0.134 0.000 2.538 381 R HA 0.100 4.420 4.340 -0.032 0.000 0.282 381 R C 0.448 176.819 176.300 0.118 0.000 1.009 381 R CA 0.430 56.552 56.100 0.036 0.000 1.063 381 R CB 0.388 30.614 30.300 -0.124 0.000 0.945 381 R HN 0.559 nan 8.270 nan 0.000 0.414 382 T N 1.440 116.045 114.554 0.086 0.000 2.952 382 T HA 0.340 4.671 4.350 -0.032 0.000 0.286 382 T C -0.078 174.700 174.700 0.129 0.000 1.024 382 T CA -0.995 61.170 62.100 0.108 0.000 1.029 382 T CB 1.215 70.130 68.868 0.080 0.000 1.094 382 T HN 0.773 nan 8.240 nan 0.000 0.515 383 R N -0.232 120.340 120.500 0.121 0.000 3.322 383 R HA -0.164 4.157 4.340 -0.032 0.000 0.253 383 R C -1.124 175.298 176.300 0.203 0.000 0.987 383 R CA 0.244 56.413 56.100 0.116 0.000 0.666 383 R CB -2.032 28.316 30.300 0.079 0.000 1.072 383 R HN 0.615 nan 8.270 nan 0.000 0.447 384 F N -0.836 119.123 119.950 0.015 0.000 2.603 384 F HA 0.203 4.712 4.527 -0.032 0.000 0.317 384 F C 1.258 177.060 175.800 0.003 0.000 1.066 384 F CA -0.992 57.018 58.000 0.017 0.000 0.941 384 F CB 1.593 40.609 39.000 0.027 0.000 1.291 384 F HN -0.112 nan 8.300 nan 0.000 0.472 385 Q N 1.493 121.005 119.800 -0.480 0.000 2.435 385 Q HA 0.106 4.427 4.340 -0.032 0.000 0.207 385 Q C -0.142 175.664 176.000 -0.323 0.000 0.956 385 Q CA 0.674 56.267 55.803 -0.350 0.000 0.917 385 Q CB 0.288 28.822 28.738 -0.341 0.000 0.997 385 Q HN 0.215 nan 8.270 nan 0.000 0.497 386 R N 0.139 120.541 120.500 -0.163 0.000 2.854 386 R HA 0.449 4.769 4.340 -0.032 0.000 0.271 386 R C -0.667 175.782 176.300 0.249 0.000 0.994 386 R CA -0.674 55.440 56.100 0.023 0.000 0.945 386 R CB 1.211 31.535 30.300 0.040 0.000 1.194 386 R HN 0.010 nan 8.270 nan 0.000 0.476 387 R N 2.125 122.744 120.500 0.199 0.000 2.207 387 R HA 0.548 4.869 4.340 -0.032 0.000 0.334 387 R C 0.021 176.557 176.300 0.393 0.000 1.013 387 R CA -0.308 55.961 56.100 0.282 0.000 0.858 387 R CB 0.555 30.948 30.300 0.154 0.000 1.094 387 R HN 0.564 nan 8.270 nan 0.000 0.457 388 I N -0.325 120.496 120.570 0.419 0.000 2.827 388 I HA 0.553 4.703 4.170 -0.032 0.000 0.298 388 I C -2.800 173.246 176.117 -0.119 0.000 1.235 388 I CA -3.029 58.397 61.300 0.209 0.000 1.021 388 I CB 2.815 40.860 38.000 0.075 0.000 1.259 388 I HN 0.338 nan 8.210 nan 0.000 0.427 389 P HA 0.229 nan 4.420 nan 0.000 0.282 389 P C -0.175 176.904 177.300 -0.368 0.000 1.249 389 P CA -0.043 62.583 63.100 -0.790 0.000 0.806 389 P CB 1.462 32.625 31.700 -0.894 0.000 0.984 390 E N 1.862 121.880 120.200 -0.303 0.000 2.106 390 E HA -0.082 4.249 4.350 -0.032 0.000 0.192 390 E C 0.415 176.932 176.600 -0.138 0.000 0.984 390 E CA 1.259 57.551 56.400 -0.180 0.000 0.806 390 E CB 0.181 29.795 29.700 -0.143 0.000 0.750 390 E HN 0.520 nan 8.360 nan 0.000 0.458 391 R N -0.259 120.146 120.500 -0.159 0.000 2.725 391 R HA 0.406 4.727 4.340 -0.032 0.000 0.277 391 R C -1.106 175.117 176.300 -0.128 0.000 0.987 391 R CA -0.746 55.289 56.100 -0.109 0.000 0.901 391 R CB 1.671 31.924 30.300 -0.078 0.000 1.207 391 R HN -0.115 nan 8.270 nan 0.000 0.463 392 L N 3.526 124.701 121.223 -0.080 0.000 2.445 392 L HA 0.483 4.804 4.340 -0.032 0.000 0.252 392 L C -2.652 174.204 176.870 -0.024 0.000 1.105 392 L CA -2.243 52.556 54.840 -0.068 0.000 0.943 392 L CB 1.123 43.151 42.059 -0.051 0.000 1.277 392 L HN 0.399 nan 8.230 nan 0.000 0.465 393 P HA 0.318 nan 4.420 nan 0.000 0.282 393 P C -0.849 176.464 177.300 0.021 0.000 1.274 393 P CA -0.058 63.044 63.100 0.002 0.000 0.770 393 P CB 1.219 32.911 31.700 -0.014 0.000 0.867 394 V N 2.265 122.218 119.914 0.065 0.000 3.074 394 V HA 0.825 4.926 4.120 -0.032 0.000 0.314 394 V C -0.654 175.525 176.094 0.141 0.000 1.117 394 V CA -1.111 61.249 62.300 0.099 0.000 1.014 394 V CB 1.779 33.675 31.823 0.123 0.000 1.057 394 V HN 0.315 nan 8.190 nan 0.000 0.438 395 L N 0.049 121.329 121.223 0.094 0.000 2.230 395 L HA 1.131 5.451 4.340 -0.032 0.000 0.255 395 L C -0.532 176.405 176.870 0.111 0.000 1.039 395 L CA -0.588 54.187 54.840 -0.108 0.000 0.846 395 L CB 1.325 43.243 42.059 -0.235 0.000 1.419 395 L HN 1.179 nan 8.230 nan 0.000 0.435 396 W N 0.000 121.264 121.300 -0.060 0.000 2.388 396 W HA 0.000 4.641 4.660 -0.032 0.000 0.303 396 W CA 0.000 57.304 57.345 -0.068 0.000 1.226 396 W CB 0.000 29.410 29.460 -0.084 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535