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 1ses_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVDLKRLRQE PEVFHRAIRE KGVALDLEAL LALDREVQEL KKRLQEVQTE DATA SEQUENCE RNQVAKRVPK APPEEKEALI ARGKALGEEA KRLEEALREK EARLEALLLQ DATA SEQUENCE VPLPPWPGAP VGGEEANREI KRVGGPPEFS FPPLDHVALM EKNGWWEPRI DATA SEQUENCE SQVSGSRSYA LKGDLALYEL ALLRFAMDFM ARRGFLPMTL PSYAREKAFL DATA SEQUENCE GTGHFPAYRD QVWAIAETDL YLTGTAEVVL NALHSGEILP YEALPLRYAG DATA SEQUENCE YAPAFRSEAG SFGKDVRGLM RVHQFHKVEQ YVLTEASLEA SDRAFQELLE DATA SEQUENCE NAEEILRLLE LPYRLVEVAT GDMGPGKWRQ VDIEVYLPSE GRYRETHSCS DATA SEQUENCE ALLDWQARRA NLRYRDPEGR VRYAYTLNNT ALATPRILAM LLENHQLQDG DATA SEQUENCE RVRVPQALIP YMGKEVLEPC G 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.019 176.300 -0.468 0.000 1.140 1 M CA 0.000 54.874 55.300 -0.710 0.000 0.988 1 M CB 0.000 32.302 32.600 -0.497 0.000 1.302 2 V N 2.295 122.058 119.914 -0.251 0.000 2.769 2 V HA 0.491 4.611 4.120 0.001 0.000 0.312 2 V C -0.729 175.263 176.094 -0.170 0.000 1.058 2 V CA -0.516 61.703 62.300 -0.135 0.000 0.952 2 V CB 2.063 33.770 31.823 -0.194 0.000 1.019 2 V HN 0.872 nan 8.190 nan 0.000 0.445 3 D N 2.415 122.760 120.400 -0.091 0.000 2.363 3 D HA 0.014 4.655 4.640 0.001 0.000 0.263 3 D C 0.794 177.042 176.300 -0.087 0.000 1.258 3 D CA -0.130 53.835 54.000 -0.058 0.000 0.907 3 D CB 1.023 41.841 40.800 0.031 0.000 1.107 3 D HN 0.383 nan 8.370 nan 0.000 0.495 4 L N 5.379 126.549 121.223 -0.089 0.000 2.187 4 L HA -0.167 4.174 4.340 0.001 0.000 0.213 4 L C 2.073 178.919 176.870 -0.041 0.000 1.100 4 L CA 1.720 56.507 54.840 -0.087 0.000 0.765 4 L CB -0.621 41.399 42.059 -0.064 0.000 0.904 4 L HN 0.447 nan 8.230 nan 0.000 0.437 5 K N 0.324 120.722 120.400 -0.004 0.000 2.009 5 K HA -0.217 4.103 4.320 0.001 0.000 0.210 5 K C 2.231 178.863 176.600 0.054 0.000 1.049 5 K CA 1.903 58.206 56.287 0.026 0.000 0.929 5 K CB -0.328 32.194 32.500 0.037 0.000 0.714 5 K HN 0.339 nan 8.250 nan 0.000 0.440 6 R N 0.303 120.853 120.500 0.083 0.000 2.115 6 R HA -0.074 4.267 4.340 0.001 0.000 0.230 6 R C 2.406 178.850 176.300 0.239 0.000 1.111 6 R CA 0.942 57.151 56.100 0.181 0.000 0.976 6 R CB -0.304 30.153 30.300 0.263 0.000 0.870 6 R HN 0.157 nan 8.270 nan 0.000 0.445 7 L N 1.070 122.300 121.223 0.011 0.000 2.046 7 L HA -0.169 4.172 4.340 0.001 0.000 0.208 7 L C 2.049 178.952 176.870 0.054 0.000 1.077 7 L CA 1.782 56.545 54.840 -0.129 0.000 0.747 7 L CB -0.210 41.642 42.059 -0.345 0.000 0.896 7 L HN 0.001 nan 8.230 nan 0.000 0.432 8 R N -1.172 119.350 120.500 0.036 0.000 2.075 8 R HA -0.144 4.196 4.340 0.001 0.000 0.232 8 R C 2.268 178.615 176.300 0.077 0.000 1.126 8 R CA 1.779 57.908 56.100 0.049 0.000 0.963 8 R CB -0.278 30.039 30.300 0.029 0.000 0.858 8 R HN 0.544 nan 8.270 nan 0.000 0.435 9 Q N 0.237 120.093 119.800 0.093 0.000 2.083 9 Q HA -0.134 4.207 4.340 0.001 0.000 0.198 9 Q C 0.070 176.137 176.000 0.112 0.000 0.969 9 Q CA 1.322 57.181 55.803 0.092 0.000 0.838 9 Q CB 0.316 29.107 28.738 0.088 0.000 0.900 9 Q HN 0.446 nan 8.270 nan 0.000 0.436 10 E N -0.214 120.088 120.200 0.170 0.000 3.651 10 E HA 0.163 4.514 4.350 0.001 0.000 0.220 10 E C -2.368 174.369 176.600 0.229 0.000 1.222 10 E CA -1.494 54.997 56.400 0.151 0.000 1.114 10 E CB 0.852 30.610 29.700 0.097 0.000 1.278 10 E HN 0.022 nan 8.360 nan 0.000 0.412 11 P HA -0.226 nan 4.420 nan 0.000 0.226 11 P C 1.051 178.504 177.300 0.255 0.000 1.153 11 P CA 1.079 64.373 63.100 0.322 0.000 0.777 11 P CB 0.368 32.191 31.700 0.206 0.000 0.794 12 E N 0.401 120.683 120.200 0.137 0.000 2.152 12 E HA -0.066 4.285 4.350 0.001 0.000 0.192 12 E C 1.919 178.551 176.600 0.054 0.000 0.983 12 E CA 0.756 57.211 56.400 0.091 0.000 0.818 12 E CB -1.543 28.168 29.700 0.018 0.000 0.758 12 E HN 0.074 nan 8.360 nan 0.000 0.467 13 V N 0.822 120.705 119.914 -0.051 0.000 2.255 13 V HA -0.242 3.878 4.120 0.001 0.000 0.247 13 V C 2.283 178.190 176.094 -0.312 0.000 1.051 13 V CA 2.078 64.237 62.300 -0.235 0.000 1.018 13 V CB -0.737 30.853 31.823 -0.388 0.000 0.641 13 V HN 0.121 nan 8.190 nan 0.000 0.445 14 F N -0.875 119.133 119.950 0.098 0.000 2.365 14 F HA -0.095 4.433 4.527 0.001 0.000 0.300 14 F C 2.401 178.250 175.800 0.081 0.000 1.090 14 F CA 1.533 59.585 58.000 0.087 0.000 1.408 14 F CB -0.703 38.345 39.000 0.080 0.000 1.060 14 F HN 0.263 nan 8.300 nan 0.000 0.534 15 H N 1.227 120.384 119.070 0.145 0.000 2.357 15 H HA -0.034 4.522 4.556 0.001 0.000 0.301 15 H C 2.221 177.576 175.328 0.046 0.000 1.082 15 H CA 1.585 57.689 56.048 0.093 0.000 1.342 15 H CB 0.046 29.847 29.762 0.065 0.000 1.389 15 H HN 0.187 nan 8.280 nan 0.000 0.511 16 R N 0.166 120.787 120.500 0.202 0.000 2.081 16 R HA -0.072 4.268 4.340 0.001 0.000 0.235 16 R C 2.646 178.970 176.300 0.040 0.000 1.131 16 R CA 1.094 57.259 56.100 0.110 0.000 0.960 16 R CB -0.313 30.003 30.300 0.027 0.000 0.856 16 R HN 0.279 nan 8.270 nan 0.000 0.436 17 A N 1.455 124.291 122.820 0.028 0.000 1.883 17 A HA -0.178 4.143 4.320 0.001 0.000 0.217 17 A C 2.191 179.791 177.584 0.027 0.000 1.186 17 A CA 1.423 53.478 52.037 0.031 0.000 0.624 17 A CB -0.568 18.485 19.000 0.089 0.000 0.822 17 A HN 0.192 nan 8.150 nan 0.000 0.444 18 I N -1.143 119.438 120.570 0.018 0.000 2.226 18 I HA -0.268 3.902 4.170 0.001 0.000 0.245 18 I C 2.828 178.909 176.117 -0.061 0.000 1.100 18 I CA 1.352 62.632 61.300 -0.034 0.000 1.374 18 I CB -0.314 37.630 38.000 -0.094 0.000 1.057 18 I HN 0.299 nan 8.210 nan 0.000 0.413 19 R N 0.723 121.182 120.500 -0.069 0.000 2.082 19 R HA -0.162 4.178 4.340 0.001 0.000 0.228 19 R C 2.240 178.535 176.300 -0.007 0.000 1.140 19 R CA 1.764 57.852 56.100 -0.020 0.000 0.920 19 R CB -0.374 29.959 30.300 0.056 0.000 0.828 19 R HN 0.396 nan 8.270 nan 0.000 0.430 20 E N 0.412 120.608 120.200 -0.006 0.000 2.209 20 E HA -0.188 4.162 4.350 0.001 0.000 0.196 20 E C 1.692 178.279 176.600 -0.022 0.000 0.993 20 E CA 1.026 57.414 56.400 -0.020 0.000 0.819 20 E CB 0.045 29.722 29.700 -0.039 0.000 0.745 20 E HN 0.287 nan 8.360 nan 0.000 0.477 21 K N -0.484 119.905 120.400 -0.018 0.000 2.393 21 K HA 0.063 4.384 4.320 0.001 0.000 0.193 21 K C 0.841 177.435 176.600 -0.011 0.000 1.026 21 K CA 0.475 56.753 56.287 -0.015 0.000 1.064 21 K CB 0.760 33.252 32.500 -0.014 0.000 0.833 21 K HN 0.197 nan 8.250 nan 0.000 0.521 22 G N 1.956 110.748 108.800 -0.013 0.000 2.225 22 G HA2 -0.217 3.743 3.960 0.001 0.000 0.264 22 G HA3 -0.217 3.743 3.960 0.001 0.000 0.264 22 G C -0.010 174.881 174.900 -0.015 0.000 1.060 22 G CA -0.062 45.030 45.100 -0.012 0.000 0.833 22 G HN 0.098 nan 8.290 nan 0.000 0.498 23 V N 0.340 120.244 119.914 -0.017 0.000 2.546 23 V HA 0.635 4.756 4.120 0.001 0.000 0.284 23 V C 1.068 177.151 176.094 -0.019 0.000 1.050 23 V CA -0.040 62.252 62.300 -0.013 0.000 0.981 23 V CB 1.637 33.464 31.823 0.006 0.000 0.990 23 V HN 1.191 nan 8.190 nan 0.000 0.474 24 A N 7.000 129.811 122.820 -0.015 0.000 2.539 24 A HA 0.639 4.959 4.320 0.001 0.000 0.306 24 A C -0.498 177.079 177.584 -0.011 0.000 1.392 24 A CA 0.059 52.088 52.037 -0.014 0.000 1.060 24 A CB -0.427 18.567 19.000 -0.011 0.000 1.134 24 A HN 0.799 nan 8.150 nan 0.000 0.542 25 L N 2.045 123.256 121.223 -0.018 0.000 2.549 25 L HA 0.363 4.703 4.340 0.001 0.000 0.259 25 L C -1.857 175.001 176.870 -0.021 0.000 0.934 25 L CA -0.748 54.085 54.840 -0.012 0.000 0.865 25 L CB 2.391 44.449 42.059 -0.002 0.000 1.352 25 L HN 0.598 nan 8.230 nan 0.000 0.410 26 D N 3.508 123.904 120.400 -0.006 0.000 2.443 26 D HA 0.176 4.816 4.640 0.001 0.000 0.221 26 D C 0.620 176.927 176.300 0.012 0.000 1.097 26 D CA -0.354 53.647 54.000 0.002 0.000 0.865 26 D CB 1.585 42.393 40.800 0.013 0.000 1.034 26 D HN 0.457 nan 8.370 nan 0.000 0.511 27 L N 4.409 125.642 121.223 0.016 0.000 2.046 27 L HA -0.116 4.224 4.340 0.001 0.000 0.208 27 L C 2.095 178.999 176.870 0.058 0.000 1.077 27 L CA 2.074 56.941 54.840 0.044 0.000 0.747 27 L CB -0.511 41.599 42.059 0.086 0.000 0.896 27 L HN 0.591 nan 8.230 nan 0.000 0.432 28 E N -0.297 119.947 120.200 0.073 0.000 2.077 28 E HA -0.188 4.163 4.350 0.001 0.000 0.193 28 E C 1.992 178.615 176.600 0.038 0.000 0.989 28 E CA 1.576 58.013 56.400 0.062 0.000 0.800 28 E CB -0.763 28.978 29.700 0.068 0.000 0.746 28 E HN 0.385 nan 8.360 nan 0.000 0.452 29 A N 1.180 124.018 122.820 0.031 0.000 1.933 29 A HA -0.067 4.254 4.320 0.001 0.000 0.218 29 A C 2.323 179.915 177.584 0.014 0.000 1.175 29 A CA 1.373 53.422 52.037 0.020 0.000 0.628 29 A CB -0.836 18.174 19.000 0.016 0.000 0.814 29 A HN 0.418 nan 8.150 nan 0.000 0.444 30 L N -1.058 120.172 121.223 0.012 0.000 1.994 30 L HA -0.148 4.192 4.340 0.001 0.000 0.208 30 L C 2.304 179.176 176.870 0.003 0.000 1.071 30 L CA 1.326 56.167 54.840 0.002 0.000 0.745 30 L CB -0.278 41.778 42.059 -0.005 0.000 0.892 30 L HN 0.282 nan 8.230 nan 0.000 0.431 31 L N 0.376 121.605 121.223 0.011 0.000 2.043 31 L HA -0.228 4.113 4.340 0.001 0.000 0.212 31 L C 2.813 179.691 176.870 0.013 0.000 1.075 31 L CA 2.066 56.914 54.840 0.014 0.000 0.752 31 L CB -1.555 40.522 42.059 0.031 0.000 0.891 31 L HN 0.402 nan 8.230 nan 0.000 0.432 32 A N -1.122 121.708 122.820 0.016 0.000 1.883 32 A HA -0.230 4.090 4.320 0.001 0.000 0.217 32 A C 2.291 179.880 177.584 0.008 0.000 1.186 32 A CA 1.881 53.926 52.037 0.013 0.000 0.624 32 A CB -0.909 18.099 19.000 0.014 0.000 0.822 32 A HN 0.351 nan 8.150 nan 0.000 0.444 33 L N 0.252 121.478 121.223 0.006 0.000 2.083 33 L HA -0.181 4.160 4.340 0.001 0.000 0.209 33 L C 2.043 178.913 176.870 0.000 0.000 1.083 33 L CA 2.637 57.478 54.840 0.002 0.000 0.752 33 L CB -0.561 41.498 42.059 -0.000 0.000 0.899 33 L HN 0.542 nan 8.230 nan 0.000 0.433 34 D N -0.830 119.569 120.400 -0.002 0.000 2.097 34 D HA -0.236 4.405 4.640 0.001 0.000 0.195 34 D C 2.316 178.616 176.300 0.000 0.000 0.989 34 D CA 1.317 55.315 54.000 -0.004 0.000 0.827 34 D CB 0.039 40.834 40.800 -0.008 0.000 0.966 34 D HN 0.123 nan 8.370 nan 0.000 0.456 35 R N 0.205 120.708 120.500 0.004 0.000 2.091 35 R HA -0.078 4.262 4.340 0.001 0.000 0.238 35 R C 2.371 178.673 176.300 0.005 0.000 1.136 35 R CA 1.604 57.707 56.100 0.006 0.000 0.959 35 R CB -0.151 30.154 30.300 0.008 0.000 0.856 35 R HN 0.367 nan 8.270 nan 0.000 0.437 36 E N -0.716 119.487 120.200 0.004 0.000 2.077 36 E HA -0.183 4.168 4.350 0.001 0.000 0.193 36 E C 1.939 178.540 176.600 0.003 0.000 0.989 36 E CA 1.485 57.888 56.400 0.004 0.000 0.800 36 E CB -0.069 29.633 29.700 0.004 0.000 0.746 36 E HN 0.102 nan 8.360 nan 0.000 0.452 37 V N 1.574 121.489 119.914 0.001 0.000 2.343 37 V HA -0.258 3.862 4.120 0.001 0.000 0.247 37 V C 2.315 178.410 176.094 0.001 0.000 1.051 37 V CA 1.584 63.884 62.300 0.000 0.000 1.036 37 V CB -0.375 31.447 31.823 -0.002 0.000 0.654 37 V HN 0.258 nan 8.190 nan 0.000 0.451 38 Q N -0.354 119.447 119.800 0.002 0.000 2.084 38 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 38 Q C 2.191 178.193 176.000 0.003 0.000 0.978 38 Q CA 1.642 57.446 55.803 0.003 0.000 0.844 38 Q CB -0.425 28.315 28.738 0.003 0.000 0.898 38 Q HN 0.626 nan 8.270 nan 0.000 0.426 39 E N 0.376 120.578 120.200 0.004 0.000 2.051 39 E HA -0.122 4.228 4.350 0.001 0.000 0.192 39 E C 1.850 178.452 176.600 0.004 0.000 0.991 39 E CA 0.552 56.955 56.400 0.004 0.000 0.799 39 E CB -0.210 29.492 29.700 0.004 0.000 0.748 39 E HN 0.092 nan 8.360 nan 0.000 0.449 40 L N 0.756 121.981 121.223 0.003 0.000 2.156 40 L HA -0.084 4.256 4.340 0.001 0.000 0.208 40 L C 1.663 178.534 176.870 0.003 0.000 1.095 40 L CA 1.626 56.468 54.840 0.003 0.000 0.770 40 L CB -0.171 41.890 42.059 0.003 0.000 0.914 40 L HN -0.000 nan 8.230 nan 0.000 0.439 41 K N -0.951 119.451 120.400 0.003 0.000 2.148 41 K HA -0.206 4.115 4.320 0.001 0.000 0.204 41 K C 2.084 178.686 176.600 0.003 0.000 1.050 41 K CA 1.035 57.324 56.287 0.003 0.000 0.942 41 K CB -0.013 32.489 32.500 0.003 0.000 0.724 41 K HN 0.009 nan 8.250 nan 0.000 0.446 42 K N 1.287 121.689 120.400 0.003 0.000 2.031 42 K HA -0.060 4.261 4.320 0.001 0.000 0.205 42 K C 2.102 178.704 176.600 0.003 0.000 1.049 42 K CA 1.143 57.432 56.287 0.003 0.000 0.939 42 K CB -0.057 32.445 32.500 0.004 0.000 0.717 42 K HN -0.164 nan 8.250 nan 0.000 0.438 43 R N 0.664 121.166 120.500 0.003 0.000 2.091 43 R HA -0.057 4.283 4.340 0.001 0.000 0.238 43 R C 2.241 178.543 176.300 0.003 0.000 1.136 43 R CA 1.299 57.401 56.100 0.003 0.000 0.959 43 R CB -0.833 29.469 30.300 0.003 0.000 0.856 43 R HN 0.361 nan 8.270 nan 0.000 0.437 44 L N 0.557 121.782 121.223 0.003 0.000 2.131 44 L HA -0.213 4.127 4.340 0.001 0.000 0.210 44 L C 2.415 179.286 176.870 0.003 0.000 1.092 44 L CA 1.235 56.077 54.840 0.003 0.000 0.759 44 L CB -0.173 41.887 42.059 0.003 0.000 0.903 44 L HN 0.188 nan 8.230 nan 0.000 0.435 45 Q N 0.317 120.119 119.800 0.003 0.000 2.030 45 Q HA -0.268 4.073 4.340 0.001 0.000 0.204 45 Q C 1.881 177.883 176.000 0.002 0.000 0.986 45 Q CA 1.970 57.775 55.803 0.003 0.000 0.843 45 Q CB -0.008 28.732 28.738 0.003 0.000 0.904 45 Q HN 0.326 nan 8.270 nan 0.000 0.420 46 E N -0.790 119.412 120.200 0.003 0.000 2.033 46 E HA -0.204 4.146 4.350 0.001 0.000 0.199 46 E C 1.940 178.541 176.600 0.002 0.000 1.011 46 E CA 2.038 58.440 56.400 0.002 0.000 0.815 46 E CB -0.504 29.197 29.700 0.002 0.000 0.755 46 E HN 0.435 nan 8.360 nan 0.000 0.451 47 V N -0.102 119.814 119.914 0.002 0.000 2.358 47 V HA -0.285 3.835 4.120 0.001 0.000 0.246 47 V C 2.191 178.287 176.094 0.002 0.000 1.047 47 V CA 1.996 64.297 62.300 0.002 0.000 1.035 47 V CB -1.220 30.605 31.823 0.002 0.000 0.658 47 V HN 0.389 nan 8.190 nan 0.000 0.452 48 Q N 0.605 120.406 119.800 0.002 0.000 2.170 48 Q HA -0.137 4.204 4.340 0.001 0.000 0.203 48 Q C 2.013 178.014 176.000 0.002 0.000 0.976 48 Q CA 2.252 58.056 55.803 0.002 0.000 0.858 48 Q CB -0.887 27.852 28.738 0.002 0.000 0.907 48 Q HN 0.556 nan 8.270 nan 0.000 0.433 49 T N 0.731 115.286 114.554 0.002 0.000 2.978 49 T HA -0.017 4.333 4.350 0.001 0.000 0.262 49 T C 1.271 175.972 174.700 0.002 0.000 1.063 49 T CA 0.985 63.086 62.100 0.002 0.000 1.140 49 T CB 0.026 68.895 68.868 0.002 0.000 0.886 49 T HN 0.388 nan 8.240 nan 0.000 0.470 50 E N 0.951 121.152 120.200 0.002 0.000 2.106 50 E HA -0.075 4.276 4.350 0.001 0.000 0.192 50 E C 2.356 178.957 176.600 0.002 0.000 0.984 50 E CA 0.612 57.013 56.400 0.002 0.000 0.806 50 E CB -0.025 29.676 29.700 0.002 0.000 0.750 50 E HN 0.274 nan 8.360 nan 0.000 0.458 51 R N 1.139 121.640 120.500 0.002 0.000 2.081 51 R HA -0.146 4.195 4.340 0.001 0.000 0.235 51 R C 1.767 178.068 176.300 0.002 0.000 1.131 51 R CA 1.880 57.981 56.100 0.002 0.000 0.960 51 R CB -0.096 30.205 30.300 0.002 0.000 0.856 51 R HN 0.174 nan 8.270 nan 0.000 0.436 52 N N -0.162 118.539 118.700 0.002 0.000 2.104 52 N HA -0.260 4.481 4.740 0.001 0.000 0.190 52 N C 1.857 177.368 175.510 0.001 0.000 1.024 52 N CA 1.420 54.471 53.050 0.001 0.000 0.853 52 N CB -0.114 38.374 38.487 0.002 0.000 1.008 52 N HN 0.354 nan 8.380 nan 0.000 0.424 53 Q N 0.927 120.727 119.800 0.001 0.000 2.016 53 Q HA -0.115 4.226 4.340 0.001 0.000 0.200 53 Q C 2.101 178.102 176.000 0.001 0.000 0.978 53 Q CA 1.173 56.977 55.803 0.001 0.000 0.833 53 Q CB 0.012 28.751 28.738 0.001 0.000 0.895 53 Q HN 0.177 nan 8.270 nan 0.000 0.427 54 V N 1.039 120.954 119.914 0.001 0.000 2.287 54 V HA -0.303 3.817 4.120 0.001 0.000 0.248 54 V C 2.338 178.433 176.094 0.001 0.000 1.053 54 V CA 1.970 64.270 62.300 0.001 0.000 1.027 54 V CB -0.906 30.918 31.823 0.001 0.000 0.646 54 V HN 0.554 nan 8.190 nan 0.000 0.447 55 A N -1.199 121.621 122.820 0.001 0.000 2.019 55 A HA -0.247 4.074 4.320 0.001 0.000 0.219 55 A C 2.307 179.891 177.584 0.001 0.000 1.164 55 A CA 1.997 54.035 52.037 0.001 0.000 0.644 55 A CB -0.417 18.584 19.000 0.001 0.000 0.805 55 A HN 0.530 nan 8.150 nan 0.000 0.449 56 K N -0.748 119.653 120.400 0.001 0.000 2.103 56 K HA -0.016 4.305 4.320 0.001 0.000 0.204 56 K C 2.255 178.856 176.600 0.001 0.000 1.052 56 K CA 0.890 57.177 56.287 0.001 0.000 0.945 56 K CB -0.075 32.425 32.500 0.001 0.000 0.722 56 K HN 0.409 nan 8.250 nan 0.000 0.443 57 R N 0.053 120.553 120.500 0.001 0.000 2.115 57 R HA -0.047 4.293 4.340 0.001 0.000 0.226 57 R C 2.163 178.464 176.300 0.001 0.000 1.100 57 R CA 0.670 56.770 56.100 0.001 0.000 0.980 57 R CB -0.176 30.125 30.300 0.001 0.000 0.875 57 R HN -0.005 nan 8.270 nan 0.000 0.445 58 V N 1.771 121.685 119.914 0.001 0.000 2.231 58 V HA -0.228 3.892 4.120 0.001 0.000 0.250 58 V C -0.820 175.275 176.094 0.001 0.000 1.058 58 V CA 2.097 64.398 62.300 0.001 0.000 1.022 58 V CB -1.193 30.630 31.823 0.001 0.000 0.640 58 V HN 0.238 nan 8.190 nan 0.000 0.445 59 P HA -0.166 nan 4.420 nan 0.000 0.218 59 P C 1.175 178.475 177.300 0.001 0.000 1.146 59 P CA 1.602 64.702 63.100 0.001 0.000 0.820 59 P CB -0.019 31.682 31.700 0.001 0.000 0.778 60 K N -2.037 118.363 120.400 0.001 0.000 2.506 60 K HA 0.347 4.667 4.320 0.001 0.000 0.204 60 K C 0.103 176.703 176.600 0.001 0.000 1.045 60 K CA -0.370 55.918 56.287 0.001 0.000 1.074 60 K CB 0.857 33.358 32.500 0.001 0.000 0.842 60 K HN 0.002 nan 8.250 nan 0.000 0.514 61 A N 3.486 126.306 122.820 0.001 0.000 2.477 61 A HA 0.233 4.553 4.320 0.001 0.000 0.246 61 A C -2.198 175.386 177.584 0.001 0.000 1.078 61 A CA -1.018 51.019 52.037 0.001 0.000 0.770 61 A CB -0.255 18.745 19.000 0.001 0.000 1.011 61 A HN 0.008 nan 8.150 nan 0.000 0.494 62 P HA 0.111 nan 4.420 nan 0.000 0.269 62 P C -2.236 175.064 177.300 0.001 0.000 1.209 62 P CA -1.154 61.946 63.100 0.001 0.000 0.776 62 P CB 0.228 31.929 31.700 0.001 0.000 0.876 63 P HA -0.247 nan 4.420 nan 0.000 0.218 63 P C 1.259 178.559 177.300 0.001 0.000 1.154 63 P CA 1.879 64.979 63.100 0.001 0.000 0.872 63 P CB -0.026 31.674 31.700 0.000 0.000 0.790 64 E N -0.087 120.113 120.200 0.001 0.000 2.023 64 E HA -0.217 4.134 4.350 0.001 0.000 0.196 64 E C 1.943 178.543 176.600 0.001 0.000 1.003 64 E CA 1.509 57.910 56.400 0.001 0.000 0.809 64 E CB -1.055 28.645 29.700 0.001 0.000 0.755 64 E HN 0.377 nan 8.360 nan 0.000 0.449 65 E N 0.402 120.603 120.200 0.001 0.000 2.208 65 E HA -0.092 4.258 4.350 0.001 0.000 0.193 65 E C 1.829 178.430 176.600 0.001 0.000 0.988 65 E CA 0.637 57.038 56.400 0.001 0.000 0.828 65 E CB 0.022 29.722 29.700 0.001 0.000 0.763 65 E HN 0.126 nan 8.360 nan 0.000 0.478 66 K N 0.852 121.252 120.400 0.001 0.000 2.026 66 K HA -0.210 4.110 4.320 0.001 0.000 0.208 66 K C 2.063 178.664 176.600 0.001 0.000 1.048 66 K CA 1.222 57.510 56.287 0.001 0.000 0.929 66 K CB 0.116 32.616 32.500 0.001 0.000 0.713 66 K HN -0.053 nan 8.250 nan 0.000 0.439 67 E N 0.371 120.571 120.200 0.001 0.000 2.152 67 E HA -0.099 4.251 4.350 0.001 0.000 0.192 67 E C 1.718 178.318 176.600 0.001 0.000 0.983 67 E CA 0.952 57.352 56.400 0.001 0.000 0.818 67 E CB -0.040 29.660 29.700 0.001 0.000 0.758 67 E HN 0.396 nan 8.360 nan 0.000 0.467 68 A N 1.069 123.890 122.820 0.001 0.000 1.883 68 A HA -0.175 4.146 4.320 0.001 0.000 0.217 68 A C 2.407 179.991 177.584 0.001 0.000 1.186 68 A CA 1.328 53.366 52.037 0.001 0.000 0.624 68 A CB -0.760 18.240 19.000 0.001 0.000 0.822 68 A HN 0.286 nan 8.150 nan 0.000 0.444 69 L N -0.764 120.459 121.223 0.001 0.000 2.083 69 L HA -0.184 4.156 4.340 0.001 0.000 0.209 69 L C 2.466 179.336 176.870 0.001 0.000 1.083 69 L CA 1.227 56.068 54.840 0.001 0.000 0.752 69 L CB -0.558 41.502 42.059 0.001 0.000 0.899 69 L HN 0.388 nan 8.230 nan 0.000 0.433 70 I N -0.142 120.429 120.570 0.001 0.000 2.226 70 I HA -0.269 3.902 4.170 0.001 0.000 0.245 70 I C 2.841 178.959 176.117 0.001 0.000 1.100 70 I CA 1.147 62.447 61.300 0.001 0.000 1.374 70 I CB -0.535 37.466 38.000 0.001 0.000 1.057 70 I HN 0.180 nan 8.210 nan 0.000 0.413 71 A N 0.865 123.686 122.820 0.001 0.000 1.851 71 A HA -0.284 4.037 4.320 0.001 0.000 0.216 71 A C 2.435 180.020 177.584 0.001 0.000 1.195 71 A CA 2.156 54.193 52.037 0.001 0.000 0.622 71 A CB -0.757 18.244 19.000 0.001 0.000 0.831 71 A HN 0.318 nan 8.150 nan 0.000 0.444 72 R N -0.825 119.675 120.500 0.001 0.000 2.091 72 R HA -0.114 4.227 4.340 0.001 0.000 0.238 72 R C 2.286 178.586 176.300 0.001 0.000 1.136 72 R CA 1.604 57.705 56.100 0.001 0.000 0.959 72 R CB -0.728 29.572 30.300 0.001 0.000 0.856 72 R HN 0.511 nan 8.270 nan 0.000 0.437 73 G N 1.688 110.489 108.800 0.001 0.000 2.446 73 G HA2 -0.344 3.616 3.960 0.001 0.000 0.217 73 G HA3 -0.344 3.616 3.960 0.001 0.000 0.217 73 G C 1.294 176.195 174.900 0.001 0.000 1.168 73 G CA 1.075 46.175 45.100 0.001 0.000 0.771 73 G HN 0.322 nan 8.290 nan 0.000 0.551 74 K N 1.472 121.873 120.400 0.001 0.000 2.032 74 K HA -0.024 4.296 4.320 0.001 0.000 0.209 74 K C 2.587 179.188 176.600 0.001 0.000 1.048 74 K CA 1.886 58.174 56.287 0.001 0.000 0.927 74 K CB -0.843 31.657 32.500 0.001 0.000 0.712 74 K HN 0.207 nan 8.250 nan 0.000 0.441 75 A N 1.488 124.309 122.820 0.001 0.000 1.902 75 A HA -0.104 4.216 4.320 0.001 0.000 0.217 75 A C 2.260 179.844 177.584 0.002 0.000 1.181 75 A CA 1.318 53.356 52.037 0.001 0.000 0.623 75 A CB -0.548 18.453 19.000 0.001 0.000 0.818 75 A HN 0.340 nan 8.150 nan 0.000 0.443 76 L N -0.015 121.209 121.223 0.002 0.000 2.093 76 L HA -0.014 4.327 4.340 0.001 0.000 0.208 76 L C 2.512 179.383 176.870 0.002 0.000 1.085 76 L CA 1.940 56.781 54.840 0.002 0.000 0.755 76 L CB -1.076 40.984 42.059 0.002 0.000 0.904 76 L HN 0.352 nan 8.230 nan 0.000 0.435 77 G N -1.437 107.364 108.800 0.002 0.000 2.418 77 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 77 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 77 G C 1.447 176.348 174.900 0.002 0.000 1.158 77 G CA 0.430 45.531 45.100 0.002 0.000 0.771 77 G HN 0.347 nan 8.290 nan 0.000 0.545 78 E N 0.539 120.740 120.200 0.002 0.000 2.058 78 E HA -0.153 4.197 4.350 0.001 0.000 0.194 78 E C 2.344 178.945 176.600 0.002 0.000 0.997 78 E CA 1.415 57.816 56.400 0.002 0.000 0.801 78 E CB -0.268 29.433 29.700 0.002 0.000 0.746 78 E HN 0.506 nan 8.360 nan 0.000 0.450 79 E N 0.987 121.188 120.200 0.002 0.000 2.038 79 E HA -0.146 4.204 4.350 0.001 0.000 0.195 79 E C 1.918 178.520 176.600 0.002 0.000 1.000 79 E CA 1.681 58.082 56.400 0.002 0.000 0.803 79 E CB -0.400 29.301 29.700 0.002 0.000 0.750 79 E HN 0.187 nan 8.360 nan 0.000 0.448 80 A N 0.252 123.073 122.820 0.002 0.000 1.940 80 A HA -0.204 4.116 4.320 0.001 0.000 0.219 80 A C 2.175 179.761 177.584 0.002 0.000 1.176 80 A CA 2.111 54.149 52.037 0.002 0.000 0.631 80 A CB -0.571 18.431 19.000 0.002 0.000 0.814 80 A HN 0.186 nan 8.150 nan 0.000 0.446 81 K N -0.162 120.240 120.400 0.002 0.000 2.155 81 K HA -0.035 4.286 4.320 0.001 0.000 0.203 81 K C 2.154 178.755 176.600 0.002 0.000 1.052 81 K CA 1.308 57.597 56.287 0.002 0.000 0.948 81 K CB -0.278 32.224 32.500 0.002 0.000 0.728 81 K HN 0.465 nan 8.250 nan 0.000 0.448 82 R N -0.191 120.310 120.500 0.002 0.000 2.080 82 R HA -0.138 4.203 4.340 0.001 0.000 0.236 82 R C 1.849 178.150 176.300 0.002 0.000 1.137 82 R CA 1.615 57.717 56.100 0.002 0.000 0.943 82 R CB -0.376 29.925 30.300 0.002 0.000 0.846 82 R HN 0.127 nan 8.270 nan 0.000 0.431 83 L N 1.420 122.645 121.223 0.002 0.000 2.056 83 L HA -0.131 4.210 4.340 0.001 0.000 0.207 83 L C 2.523 179.394 176.870 0.003 0.000 1.078 83 L CA 1.695 56.536 54.840 0.003 0.000 0.749 83 L CB -0.773 41.287 42.059 0.003 0.000 0.901 83 L HN 0.244 nan 8.230 nan 0.000 0.433 84 E N 0.239 120.441 120.200 0.003 0.000 2.012 84 E HA -0.279 4.072 4.350 0.001 0.000 0.197 84 E C 2.049 178.650 176.600 0.003 0.000 1.007 84 E CA 1.846 58.247 56.400 0.003 0.000 0.816 84 E CB -0.100 29.602 29.700 0.003 0.000 0.762 84 E HN 0.736 nan 8.360 nan 0.000 0.451 85 E N 0.008 120.210 120.200 0.003 0.000 2.204 85 E HA -0.112 4.238 4.350 0.001 0.000 0.195 85 E C 1.955 178.556 176.600 0.003 0.000 0.990 85 E CA 1.172 57.574 56.400 0.003 0.000 0.821 85 E CB -0.210 29.491 29.700 0.003 0.000 0.750 85 E HN 0.184 nan 8.360 nan 0.000 0.477 86 A N 1.316 124.138 122.820 0.002 0.000 1.930 86 A HA -0.088 4.233 4.320 0.001 0.000 0.217 86 A C 2.181 179.766 177.584 0.002 0.000 1.175 86 A CA 1.175 53.214 52.037 0.002 0.000 0.627 86 A CB -0.560 18.441 19.000 0.002 0.000 0.815 86 A HN 0.333 nan 8.150 nan 0.000 0.443 87 L N -0.614 120.610 121.223 0.002 0.000 2.005 87 L HA -0.099 4.241 4.340 0.001 0.000 0.207 87 L C 2.446 179.317 176.870 0.002 0.000 1.072 87 L CA 1.849 56.691 54.840 0.002 0.000 0.744 87 L CB -0.580 41.480 42.059 0.002 0.000 0.895 87 L HN 0.241 nan 8.230 nan 0.000 0.433 88 R N 0.210 120.711 120.500 0.003 0.000 2.096 88 R HA -0.241 4.099 4.340 0.001 0.000 0.240 88 R C 2.261 178.563 176.300 0.002 0.000 1.139 88 R CA 2.032 58.133 56.100 0.003 0.000 0.952 88 R CB -0.756 29.547 30.300 0.004 0.000 0.854 88 R HN 0.701 nan 8.270 nan 0.000 0.436 89 E N 0.157 120.358 120.200 0.002 0.000 2.058 89 E HA -0.203 4.148 4.350 0.001 0.000 0.194 89 E C 1.569 178.170 176.600 0.001 0.000 0.997 89 E CA 1.227 57.628 56.400 0.002 0.000 0.801 89 E CB 0.084 29.785 29.700 0.002 0.000 0.746 89 E HN 0.058 nan 8.360 nan 0.000 0.450 90 K N 0.651 121.052 120.400 0.001 0.000 2.097 90 K HA -0.124 4.196 4.320 0.001 0.000 0.205 90 K C 2.056 178.655 176.600 -0.001 0.000 1.050 90 K CA 1.296 57.583 56.287 0.000 0.000 0.938 90 K CB -0.231 32.269 32.500 0.001 0.000 0.718 90 K HN 0.336 nan 8.250 nan 0.000 0.442 91 E N 0.424 120.623 120.200 -0.001 0.000 2.106 91 E HA -0.092 4.259 4.350 0.001 0.000 0.192 91 E C 1.972 178.571 176.600 -0.003 0.000 0.984 91 E CA 0.837 57.236 56.400 -0.003 0.000 0.806 91 E CB -0.025 29.674 29.700 -0.001 0.000 0.750 91 E HN 0.272 nan 8.360 nan 0.000 0.458 92 A N 1.400 124.220 122.820 -0.001 0.000 1.902 92 A HA -0.185 4.136 4.320 0.001 0.000 0.217 92 A C 2.043 179.625 177.584 -0.003 0.000 1.181 92 A CA 1.226 53.263 52.037 -0.001 0.000 0.623 92 A CB -0.339 18.662 19.000 0.001 0.000 0.818 92 A HN 0.066 nan 8.150 nan 0.000 0.443 93 R N -1.186 119.313 120.500 -0.003 0.000 2.096 93 R HA -0.112 4.229 4.340 0.001 0.000 0.235 93 R C 2.092 178.388 176.300 -0.006 0.000 1.127 93 R CA 1.431 57.529 56.100 -0.003 0.000 0.968 93 R CB -0.500 29.799 30.300 -0.002 0.000 0.861 93 R HN 0.494 nan 8.270 nan 0.000 0.440 94 L N 1.126 122.344 121.223 -0.008 0.000 2.027 94 L HA -0.153 4.188 4.340 0.001 0.000 0.206 94 L C 2.203 179.061 176.870 -0.019 0.000 1.074 94 L CA 1.904 56.736 54.840 -0.013 0.000 0.745 94 L CB -0.427 41.624 42.059 -0.013 0.000 0.898 94 L HN 0.034 nan 8.230 nan 0.000 0.433 95 E N -0.095 120.095 120.200 -0.017 0.000 2.058 95 E HA -0.206 4.145 4.350 0.001 0.000 0.194 95 E C 2.105 178.693 176.600 -0.020 0.000 0.997 95 E CA 1.641 58.028 56.400 -0.022 0.000 0.801 95 E CB -0.425 29.266 29.700 -0.014 0.000 0.746 95 E HN 0.535 nan 8.360 nan 0.000 0.450 96 A N 0.053 122.867 122.820 -0.010 0.000 1.940 96 A HA -0.155 4.165 4.320 0.001 0.000 0.219 96 A C 2.139 179.720 177.584 -0.004 0.000 1.176 96 A CA 1.491 53.525 52.037 -0.005 0.000 0.631 96 A CB -0.674 18.324 19.000 -0.003 0.000 0.814 96 A HN 0.340 nan 8.150 nan 0.000 0.446 97 L N -0.569 120.649 121.223 -0.008 0.000 2.056 97 L HA -0.067 4.273 4.340 0.001 0.000 0.207 97 L C 2.358 179.219 176.870 -0.014 0.000 1.078 97 L CA 1.167 56.002 54.840 -0.007 0.000 0.749 97 L CB -0.595 41.458 42.059 -0.010 0.000 0.901 97 L HN 0.292 nan 8.230 nan 0.000 0.433 98 L N -0.852 120.351 121.223 -0.033 0.000 2.131 98 L HA -0.205 4.135 4.340 0.001 0.000 0.210 98 L C 2.252 179.085 176.870 -0.062 0.000 1.092 98 L CA 1.498 56.302 54.840 -0.060 0.000 0.759 98 L CB -0.734 41.279 42.059 -0.077 0.000 0.903 98 L HN 0.315 nan 8.230 nan 0.000 0.435 99 L N -1.103 120.095 121.223 -0.042 0.000 2.551 99 L HA -0.150 4.191 4.340 0.001 0.000 0.228 99 L C 2.044 178.944 176.870 0.050 0.000 1.153 99 L CA 0.492 55.312 54.840 -0.033 0.000 0.851 99 L CB -0.117 41.936 42.059 -0.011 0.000 0.959 99 L HN 0.383 nan 8.230 nan 0.000 0.451 100 Q N -1.017 118.818 119.800 0.059 0.000 2.281 100 Q HA 0.124 4.464 4.340 0.001 0.000 0.215 100 Q C 0.259 176.346 176.000 0.145 0.000 0.867 100 Q CA -0.161 55.704 55.803 0.103 0.000 0.940 100 Q CB 0.987 29.756 28.738 0.053 0.000 1.111 100 Q HN 0.231 nan 8.270 nan 0.000 0.513 101 V N 4.668 124.658 119.914 0.127 0.000 2.529 101 V HA 0.086 4.207 4.120 0.001 0.000 0.292 101 V C -1.877 174.439 176.094 0.370 0.000 1.028 101 V CA -0.987 61.405 62.300 0.153 0.000 1.074 101 V CB -0.057 31.772 31.823 0.011 0.000 0.958 101 V HN 0.099 nan 8.190 nan 0.000 0.481 102 P HA 0.313 nan 4.420 nan 0.000 0.282 102 P C -0.666 176.814 177.300 0.300 0.000 1.259 102 P CA -0.743 62.499 63.100 0.237 0.000 0.826 102 P CB 1.579 33.330 31.700 0.086 0.000 1.064 103 L N 3.636 124.883 121.223 0.039 0.000 2.380 103 L HA 0.386 4.727 4.340 0.001 0.000 0.273 103 L C -2.385 174.585 176.870 0.168 0.000 1.138 103 L CA -2.132 52.817 54.840 0.181 0.000 0.832 103 L CB -0.215 41.836 42.059 -0.012 0.000 1.124 103 L HN 0.228 nan 8.230 nan 0.000 0.454 104 P HA 0.067 nan 4.420 nan 0.000 0.262 104 P C -2.493 174.921 177.300 0.191 0.000 1.182 104 P CA -0.506 62.664 63.100 0.117 0.000 0.761 104 P CB -0.082 31.636 31.700 0.030 0.000 0.795 105 P HA 0.013 nan 4.420 nan 0.000 0.274 105 P C -0.229 176.767 177.300 -0.506 0.000 1.246 105 P CA -0.462 62.559 63.100 -0.131 0.000 0.795 105 P CB 0.494 32.109 31.700 -0.143 0.000 1.006 106 W N 2.832 123.382 121.300 -1.250 0.000 2.137 106 W HA 0.127 4.788 4.660 0.001 0.000 0.344 106 W C -1.927 174.158 176.519 -0.724 0.000 1.286 106 W CA -1.784 54.523 57.345 -1.730 0.000 1.240 106 W CB -1.282 27.073 29.460 -1.842 0.000 1.141 106 W HN 0.346 nan 8.180 nan 0.000 0.579 107 P HA -0.131 nan 4.420 nan 0.000 0.218 107 P C 1.412 178.132 177.300 -0.967 0.000 1.148 107 P CA 2.534 65.273 63.100 -0.601 0.000 0.822 107 P CB -0.258 31.276 31.700 -0.278 0.000 0.784 108 G N -0.670 106.964 108.800 -1.943 0.000 3.189 108 G HA2 0.326 4.286 3.960 0.001 0.000 0.225 108 G HA3 0.326 4.286 3.960 0.001 0.000 0.225 108 G C 0.575 174.604 174.900 -1.452 0.000 1.159 108 G CA 0.144 44.235 45.100 -1.682 0.000 0.763 108 G HN 0.455 nan 8.290 nan 0.000 0.549 109 A N 2.004 123.884 122.820 -1.566 0.000 2.524 109 A HA 0.485 4.805 4.320 0.001 0.000 0.250 109 A C -1.707 175.671 177.584 -0.344 0.000 1.078 109 A CA -0.890 50.777 52.037 -0.617 0.000 0.761 109 A CB 0.128 18.878 19.000 -0.417 0.000 1.012 109 A HN 0.210 nan 8.150 nan 0.000 0.500 110 P HA 0.135 nan 4.420 nan 0.000 0.265 110 P C -0.538 176.698 177.300 -0.106 0.000 1.193 110 P CA 0.143 63.174 63.100 -0.115 0.000 0.765 110 P CB 0.534 32.204 31.700 -0.049 0.000 0.823 111 V N 3.112 122.965 119.914 -0.101 0.000 2.407 111 V HA 0.753 4.874 4.120 0.001 0.000 0.278 111 V C 0.981 177.044 176.094 -0.051 0.000 1.037 111 V CA 0.680 62.931 62.300 -0.083 0.000 0.900 111 V CB 0.368 32.139 31.823 -0.087 0.000 0.983 111 V HN 1.115 nan 8.190 nan 0.000 0.459 112 G N 3.378 112.156 108.800 -0.037 0.000 2.325 112 G HA2 0.422 4.382 3.960 0.001 0.000 0.285 112 G HA3 0.422 4.382 3.960 0.001 0.000 0.285 112 G C -0.174 174.720 174.900 -0.010 0.000 1.303 112 G CA -0.202 44.886 45.100 -0.020 0.000 0.970 112 G HN 1.028 nan 8.290 nan 0.000 0.490 113 G N -1.373 107.427 108.800 -0.001 0.000 2.574 113 G HA2 0.520 4.480 3.960 0.001 0.000 0.248 113 G HA3 0.520 4.480 3.960 0.001 0.000 0.248 113 G C 0.837 175.745 174.900 0.013 0.000 1.422 113 G CA 0.867 45.972 45.100 0.009 0.000 1.051 113 G HN 0.904 nan 8.290 nan 0.000 0.560 114 E N -0.072 120.141 120.200 0.022 0.000 2.171 114 E HA -0.205 4.146 4.350 0.001 0.000 0.197 114 E C 2.222 178.834 176.600 0.020 0.000 0.997 114 E CA 1.546 57.961 56.400 0.026 0.000 0.810 114 E CB 0.072 29.791 29.700 0.033 0.000 0.738 114 E HN 0.540 nan 8.360 nan 0.000 0.467 115 E N 0.130 120.340 120.200 0.015 0.000 2.409 115 E HA -0.129 4.221 4.350 0.001 0.000 0.198 115 E C 1.306 177.909 176.600 0.006 0.000 1.024 115 E CA 1.047 57.454 56.400 0.011 0.000 0.861 115 E CB 0.027 29.733 29.700 0.009 0.000 0.788 115 E HN 0.280 nan 8.360 nan 0.000 0.521 116 A N 0.735 123.556 122.820 0.002 0.000 2.238 116 A HA 0.059 4.380 4.320 0.001 0.000 0.210 116 A C 0.825 178.408 177.584 -0.002 0.000 1.179 116 A CA -0.350 51.684 52.037 -0.006 0.000 0.827 116 A CB -0.568 18.423 19.000 -0.016 0.000 0.856 116 A HN 0.226 nan 8.150 nan 0.000 0.488 117 N N 0.650 119.355 118.700 0.009 0.000 2.395 117 N HA 0.145 4.885 4.740 0.001 0.000 0.246 117 N C -0.028 175.490 175.510 0.012 0.000 1.246 117 N CA 0.303 53.364 53.050 0.017 0.000 0.879 117 N CB 0.373 38.874 38.487 0.024 0.000 1.098 117 N HN 0.372 nan 8.380 nan 0.000 0.444 118 R N 1.752 122.262 120.500 0.017 0.000 2.513 118 R HA 0.113 4.454 4.340 0.001 0.000 0.301 118 R C -0.972 175.330 176.300 0.004 0.000 0.968 118 R CA -0.579 55.526 56.100 0.009 0.000 0.872 118 R CB 1.186 31.494 30.300 0.014 0.000 1.177 118 R HN 0.573 nan 8.270 nan 0.000 0.444 119 E N 4.714 124.903 120.200 -0.018 0.000 2.324 119 E HA 0.002 4.353 4.350 0.001 0.000 0.271 119 E C 0.654 177.238 176.600 -0.027 0.000 1.028 119 E CA -0.348 56.025 56.400 -0.045 0.000 0.890 119 E CB 0.690 30.342 29.700 -0.080 0.000 1.004 119 E HN 0.526 nan 8.360 nan 0.000 0.431 120 I N 3.883 124.444 120.570 -0.016 0.000 2.339 120 I HA 0.037 4.208 4.170 0.001 0.000 0.245 120 I C 0.845 176.952 176.117 -0.017 0.000 1.096 120 I CA 1.273 62.576 61.300 0.004 0.000 1.408 120 I CB -0.654 37.363 38.000 0.028 0.000 1.092 120 I HN 0.533 nan 8.210 nan 0.000 0.423 121 K N 0.226 120.602 120.400 -0.040 0.000 2.587 121 K HA 0.453 4.774 4.320 0.001 0.000 0.276 121 K C -0.954 175.578 176.600 -0.113 0.000 0.956 121 K CA -0.739 55.514 56.287 -0.056 0.000 0.857 121 K CB 2.399 34.887 32.500 -0.020 0.000 1.431 121 K HN -0.041 nan 8.250 nan 0.000 0.420 122 R N 2.870 123.278 120.500 -0.154 0.000 2.538 122 R HA 0.509 4.850 4.340 0.001 0.000 0.292 122 R C -1.931 174.208 176.300 -0.269 0.000 1.008 122 R CA -0.640 55.324 56.100 -0.227 0.000 0.896 122 R CB 2.015 32.202 30.300 -0.188 0.000 1.187 122 R HN 0.331 nan 8.270 nan 0.000 0.440 123 V N 4.016 123.645 119.914 -0.474 0.000 2.531 123 V HA 0.740 4.861 4.120 0.001 0.000 0.301 123 V C 0.365 176.216 176.094 -0.405 0.000 1.034 123 V CA 0.219 62.230 62.300 -0.481 0.000 0.865 123 V CB 1.222 32.592 31.823 -0.755 0.000 0.995 123 V HN 1.126 nan 8.190 nan 0.000 0.424 124 G N 3.546 112.218 108.800 -0.213 0.000 2.795 124 G HA2 0.378 4.339 3.960 0.001 0.000 0.664 124 G HA3 0.378 4.339 3.960 0.001 0.000 0.664 124 G C -0.079 174.755 174.900 -0.110 0.000 1.381 124 G CA -0.097 44.923 45.100 -0.132 0.000 0.853 124 G HN 1.562 nan 8.290 nan 0.000 0.545 125 G N -0.897 107.835 108.800 -0.114 0.000 2.766 125 G HA2 0.851 4.811 3.960 0.001 0.000 0.288 125 G HA3 0.851 4.811 3.960 0.001 0.000 0.288 125 G C -3.107 171.640 174.900 -0.256 0.000 1.408 125 G CA -0.639 44.357 45.100 -0.173 0.000 0.852 125 G HN 0.703 nan 8.290 nan 0.000 0.487 126 P HA 0.128 nan 4.420 nan 0.000 0.260 126 P C -2.169 174.965 177.300 -0.275 0.000 1.172 126 P CA -0.345 62.445 63.100 -0.517 0.000 0.760 126 P CB 0.170 31.418 31.700 -0.753 0.000 0.773 127 P HA 0.087 nan 4.420 nan 0.000 0.271 127 P C -0.539 176.450 177.300 -0.518 0.000 1.218 127 P CA 0.127 62.962 63.100 -0.443 0.000 0.780 127 P CB 0.701 32.011 31.700 -0.650 0.000 0.901 128 E N 1.967 121.895 120.200 -0.454 0.000 1.986 128 E HA 0.329 4.680 4.350 0.001 0.000 0.264 128 E C -0.767 175.619 176.600 -0.356 0.000 1.023 128 E CA -0.271 55.949 56.400 -0.300 0.000 0.834 128 E CB -0.561 29.032 29.700 -0.178 0.000 1.111 128 E HN 0.255 nan 8.360 nan 0.000 0.417 129 F N 1.019 120.839 119.950 -0.216 0.000 2.427 129 F HA 0.072 4.599 4.527 0.001 0.000 0.352 129 F C 1.638 177.222 175.800 -0.361 0.000 1.100 129 F CA -0.281 57.468 58.000 -0.418 0.000 1.191 129 F CB 1.115 39.629 39.000 -0.809 0.000 1.128 129 F HN 0.312 nan 8.300 nan 0.000 0.533 130 S N 2.681 118.372 115.700 -0.016 0.000 2.537 130 S HA -0.022 4.448 4.470 0.001 0.000 0.240 130 S C -0.119 174.596 174.600 0.191 0.000 0.981 130 S CA 0.424 58.703 58.200 0.132 0.000 0.948 130 S CB -1.067 62.308 63.200 0.292 0.000 0.759 130 S HN 0.550 nan 8.310 nan 0.000 0.531 131 F N -1.524 118.504 119.950 0.130 0.000 2.779 131 F HA 0.708 5.236 4.527 0.001 0.000 0.316 131 F C -3.441 172.372 175.800 0.021 0.000 1.164 131 F CA -2.776 55.255 58.000 0.051 0.000 0.924 131 F CB 0.428 39.440 39.000 0.019 0.000 1.348 131 F HN -0.344 nan 8.300 nan 0.000 0.467 132 P HA 0.288 nan 4.420 nan 0.000 0.287 132 P C -2.817 174.489 177.300 0.009 0.000 1.307 132 P CA -1.206 61.903 63.100 0.016 0.000 0.777 132 P CB 0.945 32.674 31.700 0.047 0.000 0.883 133 P HA 0.182 nan 4.420 nan 0.000 0.276 133 P C -0.233 176.988 177.300 -0.132 0.000 1.230 133 P CA -0.044 62.854 63.100 -0.336 0.000 0.776 133 P CB 1.136 32.442 31.700 -0.656 0.000 0.888 134 L N 2.521 123.692 121.223 -0.087 0.000 2.421 134 L HA 0.308 4.648 4.340 0.001 0.000 0.263 134 L C 1.404 178.235 176.870 -0.066 0.000 1.122 134 L CA -0.813 53.987 54.840 -0.066 0.000 0.804 134 L CB 0.308 42.333 42.059 -0.057 0.000 1.150 134 L HN 0.482 nan 8.230 nan 0.000 0.457 135 D N -0.414 119.948 120.400 -0.064 0.000 2.398 135 D HA -0.045 4.596 4.640 0.001 0.000 0.247 135 D C 0.767 177.034 176.300 -0.056 0.000 1.227 135 D CA -0.156 53.814 54.000 -0.051 0.000 0.980 135 D CB 0.837 41.587 40.800 -0.083 0.000 1.106 135 D HN 0.766 nan 8.370 nan 0.000 0.493 136 H N -1.389 117.621 119.070 -0.101 0.000 2.462 136 H HA 0.019 4.575 4.556 0.001 0.000 0.292 136 H C 1.649 176.854 175.328 -0.206 0.000 1.049 136 H CA 0.927 56.907 56.048 -0.113 0.000 1.334 136 H CB -0.349 29.347 29.762 -0.109 0.000 1.404 136 H HN 0.135 nan 8.280 nan 0.000 0.544 137 V N 1.172 120.638 119.914 -0.746 0.000 2.358 137 V HA -0.196 3.924 4.120 0.001 0.000 0.246 137 V C 2.781 178.626 176.094 -0.416 0.000 1.047 137 V CA 1.648 63.510 62.300 -0.730 0.000 1.035 137 V CB -0.961 30.536 31.823 -0.543 0.000 0.658 137 V HN 0.765 nan 8.190 nan 0.000 0.452 138 A N -0.606 122.065 122.820 -0.248 0.000 2.014 138 A HA -0.058 4.263 4.320 0.001 0.000 0.218 138 A C 2.068 179.564 177.584 -0.147 0.000 1.163 138 A CA 1.078 53.024 52.037 -0.152 0.000 0.652 138 A CB -0.365 18.573 19.000 -0.105 0.000 0.808 138 A HN 0.381 nan 8.150 nan 0.000 0.449 139 L N -0.692 120.455 121.223 -0.126 0.000 2.093 139 L HA -0.061 4.279 4.340 0.001 0.000 0.208 139 L C 2.539 179.328 176.870 -0.136 0.000 1.085 139 L CA 1.667 56.458 54.840 -0.083 0.000 0.755 139 L CB -1.081 41.021 42.059 0.071 0.000 0.904 139 L HN 0.438 nan 8.230 nan 0.000 0.435 140 M N -1.508 117.997 119.600 -0.158 0.000 2.123 140 M HA -0.135 4.346 4.480 0.001 0.000 0.263 140 M C 2.064 178.270 176.300 -0.158 0.000 1.069 140 M CA 1.158 56.365 55.300 -0.155 0.000 1.133 140 M CB -0.355 31.866 32.600 -0.631 0.000 1.356 140 M HN 0.105 nan 8.290 nan 0.000 0.415 141 E N 0.887 120.991 120.200 -0.160 0.000 2.049 141 E HA -0.243 4.108 4.350 0.001 0.000 0.198 141 E C 1.885 178.447 176.600 -0.063 0.000 1.007 141 E CA 1.429 57.849 56.400 0.033 0.000 0.809 141 E CB -0.456 29.267 29.700 0.039 0.000 0.749 141 E HN 0.439 nan 8.360 nan 0.000 0.450 142 K N 0.409 120.718 120.400 -0.151 0.000 2.097 142 K HA -0.073 4.247 4.320 0.001 0.000 0.206 142 K C 1.438 177.847 176.600 -0.319 0.000 1.049 142 K CA 1.048 57.217 56.287 -0.196 0.000 0.933 142 K CB 0.061 32.441 32.500 -0.199 0.000 0.717 142 K HN 0.048 nan 8.250 nan 0.000 0.442 143 N N -0.357 118.000 118.700 -0.572 0.000 2.280 143 N HA 0.016 4.757 4.740 0.001 0.000 0.192 143 N C 0.106 175.181 175.510 -0.725 0.000 1.109 143 N CA 0.759 53.267 53.050 -0.905 0.000 0.855 143 N CB 1.079 38.355 38.487 -2.017 0.000 0.974 143 N HN 0.374 nan 8.380 nan 0.000 0.482 144 G N 0.948 109.547 108.800 -0.334 0.000 2.289 144 G HA2 -0.190 3.770 3.960 0.001 0.000 0.280 144 G HA3 -0.190 3.770 3.960 0.001 0.000 0.280 144 G C 0.058 175.047 174.900 0.149 0.000 1.089 144 G CA -0.270 44.806 45.100 -0.040 0.000 0.939 144 G HN 0.402 nan 8.290 nan 0.000 0.499 145 W N -0.830 120.562 121.300 0.153 0.000 3.127 145 W HA 0.464 5.124 4.660 0.001 0.000 0.344 145 W C 0.640 177.335 176.519 0.293 0.000 1.151 145 W CA -0.406 57.037 57.345 0.163 0.000 1.765 145 W CB -0.334 29.182 29.460 0.093 0.000 1.085 145 W HN 0.641 nan 8.180 nan 0.000 0.596 146 W N 0.373 121.834 121.300 0.269 0.000 3.032 146 W HA 0.594 5.255 4.660 0.001 0.000 0.341 146 W C -1.098 175.508 176.519 0.144 0.000 1.202 146 W CA -2.675 54.797 57.345 0.211 0.000 1.132 146 W CB 0.272 29.858 29.460 0.210 0.000 1.465 146 W HN -0.198 nan 8.180 nan 0.000 0.576 147 E N 1.970 122.219 120.200 0.081 0.000 2.183 147 E HA 0.447 4.797 4.350 0.001 0.000 0.250 147 E C -2.055 174.330 176.600 -0.360 0.000 0.901 147 E CA -2.689 53.655 56.400 -0.093 0.000 0.741 147 E CB 1.541 31.233 29.700 -0.013 0.000 1.182 147 E HN 0.025 nan 8.360 nan 0.000 0.425 148 P HA -0.143 nan 4.420 nan 0.000 0.217 148 P C 0.558 177.682 177.300 -0.293 0.000 1.148 148 P CA 1.031 63.777 63.100 -0.590 0.000 0.828 148 P CB 0.244 31.699 31.700 -0.409 0.000 0.783 149 R N -1.187 119.208 120.500 -0.175 0.000 2.341 149 R HA -0.071 4.269 4.340 0.001 0.000 0.213 149 R C 1.943 178.188 176.300 -0.091 0.000 1.082 149 R CA 0.404 56.442 56.100 -0.103 0.000 1.017 149 R CB -0.955 29.307 30.300 -0.062 0.000 0.860 149 R HN 0.193 nan 8.270 nan 0.000 0.473 150 I N 0.744 121.245 120.570 -0.116 0.000 2.567 150 I HA -0.231 3.940 4.170 0.001 0.000 0.257 150 I C 1.354 177.442 176.117 -0.049 0.000 1.184 150 I CA 1.384 62.641 61.300 -0.073 0.000 1.451 150 I CB -0.010 37.944 38.000 -0.075 0.000 1.089 150 I HN 0.038 nan 8.210 nan 0.000 0.441 151 S N -0.325 115.334 115.700 -0.067 0.000 2.447 151 S HA -0.168 4.303 4.470 0.001 0.000 0.233 151 S C 1.737 176.333 174.600 -0.008 0.000 1.006 151 S CA 0.873 59.058 58.200 -0.026 0.000 0.957 151 S CB -0.389 62.788 63.200 -0.037 0.000 0.773 151 S HN 0.617 nan 8.310 nan 0.000 0.507 152 Q N 0.629 120.416 119.800 -0.021 0.000 2.212 152 Q HA 0.060 4.401 4.340 0.001 0.000 0.199 152 Q C 2.159 178.156 176.000 -0.006 0.000 0.950 152 Q CA 0.975 56.770 55.803 -0.012 0.000 0.863 152 Q CB -0.316 28.410 28.738 -0.019 0.000 0.944 152 Q HN 0.446 nan 8.270 nan 0.000 0.465 153 V N 0.030 119.939 119.914 -0.008 0.000 2.346 153 V HA -0.124 3.996 4.120 0.001 0.000 0.244 153 V C 1.673 177.772 176.094 0.009 0.000 1.037 153 V CA 1.869 64.167 62.300 -0.003 0.000 1.029 153 V CB -0.054 31.765 31.823 -0.006 0.000 0.663 153 V HN 0.199 nan 8.190 nan 0.000 0.454 154 S N -1.524 114.191 115.700 0.024 0.000 2.559 154 S HA 0.560 5.030 4.470 0.001 0.000 0.226 154 S C 0.705 175.356 174.600 0.085 0.000 1.030 154 S CA 0.549 58.780 58.200 0.052 0.000 0.956 154 S CB 1.193 64.436 63.200 0.070 0.000 0.900 154 S HN 1.000 nan 8.310 nan 0.000 0.510 155 G N 1.895 110.741 108.800 0.076 0.000 2.498 155 G HA2 -0.040 3.921 3.960 0.001 0.000 0.651 155 G HA3 -0.040 3.921 3.960 0.001 0.000 0.651 155 G C -0.309 174.665 174.900 0.123 0.000 1.284 155 G CA -0.551 44.611 45.100 0.105 0.000 0.950 155 G HN 0.752 nan 8.290 nan 0.000 0.511 156 S N -0.645 115.141 115.700 0.142 0.000 2.645 156 S HA 0.681 5.151 4.470 0.001 0.000 0.266 156 S C 0.916 175.604 174.600 0.148 0.000 1.258 156 S CA 0.661 58.933 58.200 0.119 0.000 0.990 156 S CB 1.072 64.332 63.200 0.101 0.000 0.967 156 S HN 1.709 nan 8.310 nan 0.000 0.556 157 R N -0.471 120.067 120.500 0.063 0.000 3.422 157 R HA -0.114 4.227 4.340 0.001 0.000 0.267 157 R C -0.751 175.600 176.300 0.085 0.000 1.074 157 R CA 0.755 56.829 56.100 -0.043 0.000 0.718 157 R CB -2.753 27.321 30.300 -0.376 0.000 1.157 157 R HN 0.651 nan 8.270 nan 0.000 0.440 158 S N -0.454 115.349 115.700 0.172 0.000 2.599 158 S HA 0.842 5.312 4.470 0.001 0.000 0.294 158 S C -0.837 173.932 174.600 0.283 0.000 1.094 158 S CA -0.833 57.500 58.200 0.223 0.000 0.931 158 S CB 1.852 65.142 63.200 0.150 0.000 1.093 158 S HN 0.365 nan 8.310 nan 0.000 0.488 159 Y N -1.639 118.717 120.300 0.092 0.000 2.638 159 Y HA 0.883 5.434 4.550 0.001 0.000 0.335 159 Y C -1.238 174.732 175.900 0.117 0.000 1.155 159 Y CA -1.659 56.521 58.100 0.133 0.000 1.046 159 Y CB 0.823 39.424 38.460 0.234 0.000 1.303 159 Y HN 0.850 nan 8.280 nan 0.000 0.460 160 A N 2.521 125.362 122.820 0.034 0.000 2.465 160 A HA 0.713 5.033 4.320 0.001 0.000 0.292 160 A C -2.012 175.685 177.584 0.188 0.000 1.041 160 A CA -0.702 51.307 52.037 -0.047 0.000 0.718 160 A CB 0.866 19.849 19.000 -0.028 0.000 1.266 160 A HN 0.802 nan 8.150 nan 0.000 0.403 161 L N 1.169 122.515 121.223 0.205 0.000 2.332 161 L HA 0.714 5.055 4.340 0.001 0.000 0.269 161 L C 0.019 177.025 176.870 0.226 0.000 1.016 161 L CA -0.813 54.212 54.840 0.308 0.000 0.809 161 L CB 2.159 44.406 42.059 0.314 0.000 1.280 161 L HN 0.778 nan 8.230 nan 0.000 0.447 162 K N -0.468 120.087 120.400 0.259 0.000 2.512 162 K HA 0.638 4.959 4.320 0.001 0.000 0.263 162 K C -0.063 176.681 176.600 0.240 0.000 0.966 162 K CA -0.238 56.185 56.287 0.227 0.000 0.851 162 K CB 2.143 34.794 32.500 0.250 0.000 1.395 162 K HN 0.767 nan 8.250 nan 0.000 0.440 163 G N 1.695 110.611 108.800 0.194 0.000 2.582 163 G HA2 -0.353 3.608 3.960 0.001 0.000 0.288 163 G HA3 -0.353 3.608 3.960 0.001 0.000 0.288 163 G C 0.375 175.331 174.900 0.092 0.000 1.247 163 G CA 0.687 45.900 45.100 0.188 0.000 0.972 163 G HN 0.749 nan 8.290 nan 0.000 0.557 164 D N -0.424 120.006 120.400 0.050 0.000 2.228 164 D HA -0.042 4.599 4.640 0.001 0.000 0.203 164 D C 2.459 178.612 176.300 -0.245 0.000 0.988 164 D CA 1.381 55.318 54.000 -0.105 0.000 0.864 164 D CB -0.092 40.627 40.800 -0.136 0.000 0.928 164 D HN 0.298 nan 8.370 nan 0.000 0.469 165 L N -0.006 120.978 121.223 -0.399 0.000 2.240 165 L HA 0.122 4.462 4.340 0.001 0.000 0.211 165 L C 2.047 178.921 176.870 0.007 0.000 1.106 165 L CA 0.867 55.535 54.840 -0.286 0.000 0.793 165 L CB -0.414 41.394 42.059 -0.418 0.000 0.927 165 L HN -0.055 nan 8.230 nan 0.000 0.446 166 A N -0.568 122.285 122.820 0.055 0.000 1.865 166 A HA -0.209 4.112 4.320 0.001 0.000 0.217 166 A C 2.110 179.744 177.584 0.084 0.000 1.191 166 A CA 1.969 54.066 52.037 0.099 0.000 0.623 166 A CB -0.892 18.166 19.000 0.096 0.000 0.826 166 A HN 0.347 nan 8.150 nan 0.000 0.444 167 L N -1.843 119.420 121.223 0.067 0.000 2.042 167 L HA -0.159 4.181 4.340 0.001 0.000 0.210 167 L C 2.388 179.332 176.870 0.122 0.000 1.076 167 L CA 1.728 56.611 54.840 0.072 0.000 0.749 167 L CB -1.187 40.903 42.059 0.052 0.000 0.893 167 L HN 0.584 nan 8.230 nan 0.000 0.432 168 Y N 0.514 120.775 120.300 -0.064 0.000 2.200 168 Y HA -0.232 4.319 4.550 0.001 0.000 0.290 168 Y C 2.619 178.491 175.900 -0.046 0.000 1.137 168 Y CA 1.713 59.767 58.100 -0.077 0.000 1.163 168 Y CB -0.313 38.056 38.460 -0.152 0.000 0.988 168 Y HN 0.374 nan 8.280 nan 0.000 0.518 169 E N -0.178 120.042 120.200 0.033 0.000 2.070 169 E HA -0.231 4.119 4.350 0.001 0.000 0.197 169 E C 2.190 178.760 176.600 -0.050 0.000 1.004 169 E CA 1.857 58.243 56.400 -0.022 0.000 0.805 169 E CB -0.334 29.428 29.700 0.104 0.000 0.744 169 E HN 0.515 nan 8.360 nan 0.000 0.451 170 L N -0.071 121.141 121.223 -0.019 0.000 2.109 170 L HA -0.091 4.250 4.340 0.001 0.000 0.207 170 L C 2.629 179.476 176.870 -0.038 0.000 1.086 170 L CA 0.798 55.602 54.840 -0.060 0.000 0.760 170 L CB -0.439 41.603 42.059 -0.027 0.000 0.910 170 L HN 0.204 nan 8.230 nan 0.000 0.437 171 A N 0.343 123.178 122.820 0.025 0.000 1.930 171 A HA -0.136 4.184 4.320 0.001 0.000 0.217 171 A C 2.240 179.796 177.584 -0.047 0.000 1.175 171 A CA 1.293 53.381 52.037 0.086 0.000 0.627 171 A CB -0.579 18.532 19.000 0.186 0.000 0.815 171 A HN 0.346 nan 8.150 nan 0.000 0.443 172 L N -0.716 120.420 121.223 -0.144 0.000 2.093 172 L HA -0.127 4.214 4.340 0.001 0.000 0.208 172 L C 2.484 179.326 176.870 -0.046 0.000 1.085 172 L CA 0.802 55.557 54.840 -0.142 0.000 0.755 172 L CB -0.454 41.440 42.059 -0.276 0.000 0.904 172 L HN 0.353 nan 8.230 nan 0.000 0.435 173 L N -0.629 120.536 121.223 -0.096 0.000 2.056 173 L HA -0.182 4.159 4.340 0.001 0.000 0.207 173 L C 2.813 179.594 176.870 -0.148 0.000 1.078 173 L CA 0.838 55.598 54.840 -0.133 0.000 0.749 173 L CB -0.370 41.541 42.059 -0.245 0.000 0.901 173 L HN 0.213 nan 8.230 nan 0.000 0.433 174 R N 0.362 120.799 120.500 -0.105 0.000 2.075 174 R HA -0.201 4.139 4.340 0.001 0.000 0.232 174 R C 2.199 178.479 176.300 -0.033 0.000 1.126 174 R CA 1.501 57.584 56.100 -0.029 0.000 0.963 174 R CB -0.867 29.498 30.300 0.108 0.000 0.858 174 R HN 0.258 nan 8.270 nan 0.000 0.435 175 F N 0.768 120.499 119.950 -0.365 0.000 2.095 175 F HA -0.111 4.417 4.527 0.001 0.000 0.298 175 F C 1.896 177.573 175.800 -0.204 0.000 1.104 175 F CA 1.843 59.464 58.000 -0.632 0.000 1.232 175 F CB -0.887 37.592 39.000 -0.869 0.000 0.987 175 F HN 0.099 nan 8.300 nan 0.000 0.475 176 A N 0.674 123.207 122.820 -0.479 0.000 1.933 176 A HA -0.156 4.165 4.320 0.001 0.000 0.218 176 A C 2.248 179.709 177.584 -0.205 0.000 1.175 176 A CA 1.810 53.594 52.037 -0.421 0.000 0.628 176 A CB -0.685 18.212 19.000 -0.171 0.000 0.814 176 A HN 0.480 nan 8.150 nan 0.000 0.444 177 M N -0.407 119.117 119.600 -0.125 0.000 2.200 177 M HA -0.091 4.390 4.480 0.001 0.000 0.265 177 M C 1.319 177.599 176.300 -0.034 0.000 1.066 177 M CA 1.298 56.570 55.300 -0.047 0.000 1.127 177 M CB -1.220 31.361 32.600 -0.031 0.000 1.379 177 M HN 0.315 nan 8.290 nan 0.000 0.420 178 D N -0.093 120.290 120.400 -0.028 0.000 2.117 178 D HA -0.133 4.508 4.640 0.001 0.000 0.198 178 D C 1.735 178.016 176.300 -0.033 0.000 0.982 178 D CA 0.955 54.970 54.000 0.025 0.000 0.828 178 D CB -0.340 40.556 40.800 0.160 0.000 0.967 178 D HN 0.282 nan 8.370 nan 0.000 0.464 179 F N 0.872 120.652 119.950 -0.282 0.000 2.113 179 F HA -0.173 4.354 4.527 0.001 0.000 0.297 179 F C 2.147 177.832 175.800 -0.192 0.000 1.103 179 F CA 1.144 58.967 58.000 -0.296 0.000 1.248 179 F CB -0.084 38.562 39.000 -0.590 0.000 0.999 179 F HN -0.188 nan 8.300 nan 0.000 0.475 180 M N 0.561 120.070 119.600 -0.150 0.000 2.117 180 M HA -0.140 4.340 4.480 0.001 0.000 0.262 180 M C 2.559 178.806 176.300 -0.088 0.000 1.065 180 M CA 1.661 56.850 55.300 -0.184 0.000 1.114 180 M CB -1.945 30.601 32.600 -0.091 0.000 1.361 180 M HN 0.345 nan 8.290 nan 0.000 0.408 181 A N -0.024 122.772 122.820 -0.039 0.000 1.933 181 A HA -0.165 4.155 4.320 0.001 0.000 0.218 181 A C 2.252 179.809 177.584 -0.044 0.000 1.175 181 A CA 1.585 53.625 52.037 0.005 0.000 0.628 181 A CB -0.575 18.434 19.000 0.014 0.000 0.814 181 A HN 0.418 nan 8.150 nan 0.000 0.444 182 R N -0.860 119.565 120.500 -0.126 0.000 2.280 182 R HA 0.087 4.428 4.340 0.001 0.000 0.207 182 R C 1.285 177.474 176.300 -0.184 0.000 1.043 182 R CA 0.520 56.537 56.100 -0.139 0.000 1.006 182 R CB 0.043 30.250 30.300 -0.156 0.000 0.885 182 R HN 0.223 nan 8.270 nan 0.000 0.467 183 R N -0.512 119.848 120.500 -0.234 0.000 2.388 183 R HA 0.221 4.561 4.340 0.001 0.000 0.247 183 R C 0.620 176.968 176.300 0.081 0.000 0.931 183 R CA 0.564 56.572 56.100 -0.153 0.000 1.082 183 R CB 0.341 30.475 30.300 -0.278 0.000 1.135 183 R HN 0.351 nan 8.270 nan 0.000 0.525 184 G N 0.950 109.788 108.800 0.063 0.000 2.143 184 G HA2 -0.286 3.675 3.960 0.001 0.000 0.248 184 G HA3 -0.286 3.675 3.960 0.001 0.000 0.248 184 G C -0.133 174.821 174.900 0.090 0.000 0.991 184 G CA -0.154 44.981 45.100 0.058 0.000 0.689 184 G HN 0.217 nan 8.290 nan 0.000 0.522 185 F N -0.752 119.175 119.950 -0.038 0.000 2.377 185 F HA 0.679 5.207 4.527 0.001 0.000 0.328 185 F C 0.611 176.443 175.800 0.052 0.000 1.094 185 F CA -1.364 56.647 58.000 0.018 0.000 1.093 185 F CB 1.335 40.351 39.000 0.027 0.000 1.214 185 F HN 0.050 nan 8.300 nan 0.000 0.518 186 L N 6.674 128.044 121.223 0.245 0.000 2.278 186 L HA 0.451 4.792 4.340 0.001 0.000 0.287 186 L C -2.361 174.629 176.870 0.199 0.000 1.072 186 L CA -2.160 52.801 54.840 0.202 0.000 0.819 186 L CB 0.249 42.458 42.059 0.249 0.000 1.176 186 L HN 0.236 nan 8.230 nan 0.000 0.435 187 P HA 0.230 nan 4.420 nan 0.000 0.276 187 P C -1.167 176.169 177.300 0.060 0.000 1.230 187 P CA -0.101 63.059 63.100 0.101 0.000 0.776 187 P CB 0.933 32.676 31.700 0.072 0.000 0.888 188 M N 1.916 121.545 119.600 0.049 0.000 2.378 188 M HA 0.309 4.789 4.480 0.001 0.000 0.289 188 M C -0.175 176.147 176.300 0.036 0.000 1.136 188 M CA -0.430 54.866 55.300 -0.007 0.000 0.917 188 M CB 2.932 35.466 32.600 -0.111 0.000 1.669 188 M HN 0.254 nan 8.290 nan 0.000 0.461 189 T N 1.644 116.224 114.554 0.043 0.000 2.794 189 T HA 0.853 5.204 4.350 0.001 0.000 0.280 189 T C -0.600 174.095 174.700 -0.008 0.000 0.987 189 T CA -0.712 61.452 62.100 0.107 0.000 0.993 189 T CB 1.068 70.040 68.868 0.173 0.000 0.939 189 T HN 0.564 nan 8.240 nan 0.000 0.449 190 L N 3.056 124.235 121.223 -0.073 0.000 2.327 190 L HA 0.687 5.027 4.340 0.001 0.000 0.258 190 L C -2.155 174.615 176.870 -0.167 0.000 1.024 190 L CA -2.660 52.092 54.840 -0.147 0.000 0.825 190 L CB 2.311 44.255 42.059 -0.192 0.000 1.386 190 L HN 0.493 nan 8.230 nan 0.000 0.417 191 P HA 0.243 nan 4.420 nan 0.000 0.278 191 P C -0.558 176.594 177.300 -0.246 0.000 1.266 191 P CA -0.457 62.478 63.100 -0.275 0.000 0.807 191 P CB 1.142 32.459 31.700 -0.639 0.000 1.094 192 S N -0.953 114.694 115.700 -0.089 0.000 2.601 192 S HA 0.249 4.719 4.470 0.001 0.000 0.244 192 S C -0.293 174.390 174.600 0.139 0.000 1.001 192 S CA -0.312 57.923 58.200 0.059 0.000 0.984 192 S CB -0.851 62.516 63.200 0.278 0.000 0.842 192 S HN 0.532 nan 8.310 nan 0.000 0.474 193 Y N -1.267 119.048 120.300 0.025 0.000 2.581 193 Y HA 0.918 5.469 4.550 0.001 0.000 0.345 193 Y C -0.688 175.266 175.900 0.090 0.000 1.036 193 Y CA -1.787 56.361 58.100 0.080 0.000 1.042 193 Y CB 0.784 39.256 38.460 0.019 0.000 1.289 193 Y HN -0.012 nan 8.280 nan 0.000 0.471 194 A N 2.096 125.126 122.820 0.350 0.000 2.612 194 A HA 0.712 5.033 4.320 0.001 0.000 0.293 194 A C -1.197 176.664 177.584 0.462 0.000 1.075 194 A CA -1.420 50.757 52.037 0.233 0.000 0.680 194 A CB 1.504 20.488 19.000 -0.027 0.000 1.279 194 A HN 0.814 nan 8.150 nan 0.000 0.411 195 R N 0.405 121.099 120.500 0.324 0.000 2.649 195 R HA 0.206 4.546 4.340 0.001 0.000 0.270 195 R C 1.041 177.621 176.300 0.467 0.000 1.105 195 R CA -0.043 56.284 56.100 0.378 0.000 1.193 195 R CB 0.569 31.005 30.300 0.226 0.000 1.120 195 R HN 0.979 nan 8.270 nan 0.000 0.561 196 E N 1.729 122.213 120.200 0.473 0.000 2.118 196 E HA -0.279 4.072 4.350 0.001 0.000 0.195 196 E C 1.733 178.491 176.600 0.264 0.000 0.992 196 E CA 1.510 58.130 56.400 0.366 0.000 0.804 196 E CB 0.086 30.021 29.700 0.392 0.000 0.741 196 E HN 0.457 nan 8.360 nan 0.000 0.458 197 K N 0.482 121.005 120.400 0.204 0.000 2.113 197 K HA -0.197 4.124 4.320 0.001 0.000 0.208 197 K C 1.885 178.518 176.600 0.054 0.000 1.047 197 K CA 1.500 57.859 56.287 0.120 0.000 0.928 197 K CB -0.262 32.300 32.500 0.104 0.000 0.716 197 K HN 0.171 nan 8.250 nan 0.000 0.446 198 A N 0.117 122.946 122.820 0.014 0.000 2.014 198 A HA 0.003 4.323 4.320 0.001 0.000 0.218 198 A C 1.733 179.139 177.584 -0.297 0.000 1.163 198 A CA 0.699 52.646 52.037 -0.150 0.000 0.652 198 A CB -0.455 18.401 19.000 -0.239 0.000 0.808 198 A HN 0.346 nan 8.150 nan 0.000 0.449 199 F N -0.350 119.405 119.950 -0.324 0.000 2.234 199 F HA 0.066 4.593 4.527 0.001 0.000 0.296 199 F C 1.988 177.628 175.800 -0.267 0.000 1.089 199 F CA 0.793 58.468 58.000 -0.541 0.000 1.343 199 F CB -0.428 37.548 39.000 -1.708 0.000 1.040 199 F HN 0.071 nan 8.300 nan 0.000 0.498 200 L N -0.201 121.048 121.223 0.042 0.000 2.042 200 L HA -0.191 4.149 4.340 0.001 0.000 0.210 200 L C 2.756 179.650 176.870 0.039 0.000 1.076 200 L CA 1.518 56.429 54.840 0.118 0.000 0.749 200 L CB -1.328 40.805 42.059 0.124 0.000 0.893 200 L HN 0.273 nan 8.230 nan 0.000 0.432 201 G N -0.547 108.259 108.800 0.010 0.000 2.440 201 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 201 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 201 G C 1.644 176.568 174.900 0.039 0.000 1.154 201 G CA 1.408 46.509 45.100 0.001 0.000 0.767 201 G HN 0.470 nan 8.290 nan 0.000 0.552 202 T N -2.622 111.978 114.554 0.075 0.000 2.985 202 T HA 0.350 4.700 4.350 0.001 0.000 0.266 202 T C 1.936 176.786 174.700 0.250 0.000 1.076 202 T CA 1.190 63.382 62.100 0.153 0.000 1.135 202 T CB 0.051 69.020 68.868 0.168 0.000 0.890 202 T HN 1.421 nan 8.240 nan 0.000 0.480 203 G N 0.335 109.284 108.800 0.247 0.000 2.184 203 G HA2 -0.229 3.731 3.960 0.001 0.000 0.206 203 G HA3 -0.229 3.731 3.960 0.001 0.000 0.206 203 G C 0.453 175.580 174.900 0.379 0.000 0.995 203 G CA 0.350 45.712 45.100 0.436 0.000 0.651 203 G HN 0.621 nan 8.290 nan 0.000 0.511 204 H N -0.939 118.342 119.070 0.353 0.000 2.428 204 H HA 0.278 4.834 4.556 0.001 0.000 0.296 204 H C 0.706 176.373 175.328 0.565 0.000 1.062 204 H CA 1.413 57.725 56.048 0.440 0.000 1.350 204 H CB 0.092 30.019 29.762 0.275 0.000 1.403 204 H HN 0.328 nan 8.280 nan 0.000 0.533 205 F N 0.694 120.858 119.950 0.357 0.000 2.421 205 F HA 0.220 4.747 4.527 0.001 0.000 0.337 205 F C -1.391 174.495 175.800 0.143 0.000 1.105 205 F CA -3.698 54.408 58.000 0.177 0.000 1.049 205 F CB 1.498 40.546 39.000 0.079 0.000 1.139 205 F HN -0.038 nan 8.300 nan 0.000 0.479 206 P HA 0.005 nan 4.420 nan 0.000 0.224 206 P C 1.164 178.537 177.300 0.123 0.000 1.159 206 P CA 1.126 64.325 63.100 0.164 0.000 0.824 206 P CB 0.316 32.054 31.700 0.064 0.000 0.833 207 A N -0.342 122.521 122.820 0.073 0.000 1.986 207 A HA -0.181 4.139 4.320 0.001 0.000 0.220 207 A C 1.142 178.575 177.584 -0.253 0.000 1.171 207 A CA 1.436 53.381 52.037 -0.153 0.000 0.640 207 A CB -1.676 17.126 19.000 -0.330 0.000 0.811 207 A HN 0.234 nan 8.150 nan 0.000 0.451 208 Y N -1.523 118.916 120.300 0.233 0.000 2.751 208 Y HA 0.326 4.877 4.550 0.001 0.000 0.289 208 Y C 1.625 177.691 175.900 0.277 0.000 1.110 208 Y CA -0.497 57.748 58.100 0.242 0.000 1.251 208 Y CB -0.067 38.577 38.460 0.307 0.000 1.178 208 Y HN 0.272 nan 8.280 nan 0.000 0.540 209 R N 1.298 121.967 120.500 0.282 0.000 2.081 209 R HA -0.165 4.175 4.340 0.001 0.000 0.235 209 R C 1.741 178.125 176.300 0.140 0.000 1.131 209 R CA 2.066 58.254 56.100 0.147 0.000 0.960 209 R CB -0.180 30.032 30.300 -0.147 0.000 0.856 209 R HN 0.570 nan 8.270 nan 0.000 0.436 210 D N -0.075 120.398 120.400 0.122 0.000 2.218 210 D HA -0.264 4.377 4.640 0.001 0.000 0.194 210 D C 1.142 177.529 176.300 0.144 0.000 1.007 210 D CA 1.209 55.280 54.000 0.119 0.000 0.879 210 D CB -0.307 40.558 40.800 0.108 0.000 0.918 210 D HN 0.290 nan 8.370 nan 0.000 0.449 211 Q N 0.068 119.982 119.800 0.190 0.000 2.403 211 Q HA 0.176 4.517 4.340 0.001 0.000 0.203 211 Q C 0.119 176.191 176.000 0.119 0.000 0.932 211 Q CA 0.008 55.903 55.803 0.152 0.000 0.945 211 Q CB 1.059 29.922 28.738 0.209 0.000 1.045 211 Q HN 0.230 nan 8.270 nan 0.000 0.511 212 V N 0.904 120.931 119.914 0.189 0.000 2.459 212 V HA 0.216 4.337 4.120 0.001 0.000 0.295 212 V C -0.644 175.636 176.094 0.311 0.000 1.029 212 V CA -0.875 61.555 62.300 0.218 0.000 0.874 212 V CB 1.738 33.690 31.823 0.215 0.000 0.985 212 V HN 0.218 nan 8.190 nan 0.000 0.438 213 W N 3.701 125.085 121.300 0.140 0.000 2.388 213 W HA 0.598 5.258 4.660 0.001 0.000 0.308 213 W C 0.490 177.031 176.519 0.037 0.000 1.263 213 W CA -1.051 56.335 57.345 0.069 0.000 1.286 213 W CB 0.775 30.257 29.460 0.036 0.000 1.294 213 W HN 0.657 nan 8.180 nan 0.000 0.493 214 A N 5.371 128.285 122.820 0.157 0.000 2.371 214 A HA 0.517 4.837 4.320 0.001 0.000 0.257 214 A C -0.202 177.259 177.584 -0.205 0.000 1.089 214 A CA -0.485 51.473 52.037 -0.132 0.000 0.794 214 A CB 0.342 19.214 19.000 -0.213 0.000 1.029 214 A HN 0.552 nan 8.150 nan 0.000 0.488 215 I N 2.170 122.572 120.570 -0.281 0.000 2.312 215 I HA 0.310 4.480 4.170 0.001 0.000 0.291 215 I C 0.993 176.963 176.117 -0.244 0.000 1.031 215 I CA -0.091 61.057 61.300 -0.252 0.000 1.293 215 I CB 1.147 38.999 38.000 -0.247 0.000 1.403 215 I HN 0.755 nan 8.210 nan 0.000 0.484 216 A N 5.089 127.783 122.820 -0.211 0.000 2.483 216 A HA 0.149 4.470 4.320 0.001 0.000 0.238 216 A C 0.936 178.430 177.584 -0.151 0.000 1.070 216 A CA 0.058 51.992 52.037 -0.172 0.000 0.770 216 A CB -0.041 18.869 19.000 -0.151 0.000 1.008 216 A HN 0.921 nan 8.150 nan 0.000 0.497 217 E N -1.185 118.940 120.200 -0.126 0.000 3.170 217 E HA -0.229 4.122 4.350 0.001 0.000 0.284 217 E C 0.318 176.855 176.600 -0.105 0.000 0.967 217 E CA 1.182 57.520 56.400 -0.103 0.000 0.919 217 E CB -2.185 27.460 29.700 -0.091 0.000 1.469 217 E HN 1.114 nan 8.360 nan 0.000 0.444 218 T N -2.455 112.020 114.554 -0.132 0.000 2.831 218 T HA 0.448 4.798 4.350 0.001 0.000 0.287 218 T C -0.201 174.419 174.700 -0.132 0.000 1.070 218 T CA -0.398 61.628 62.100 -0.123 0.000 1.010 218 T CB 1.799 70.576 68.868 -0.151 0.000 1.264 218 T HN -0.002 nan 8.240 nan 0.000 0.532 219 D N 0.543 120.892 120.400 -0.085 0.000 2.755 219 D HA 0.301 4.942 4.640 0.001 0.000 0.257 219 D C 0.048 176.322 176.300 -0.042 0.000 1.291 219 D CA -0.384 53.584 54.000 -0.054 0.000 0.836 219 D CB -0.463 40.362 40.800 0.041 0.000 1.059 219 D HN 0.473 nan 8.370 nan 0.000 0.486 220 L N 0.040 121.159 121.223 -0.173 0.000 2.330 220 L HA 0.542 4.883 4.340 0.001 0.000 0.271 220 L C -0.914 175.732 176.870 -0.374 0.000 1.013 220 L CA -1.190 53.611 54.840 -0.065 0.000 0.816 220 L CB 1.329 43.379 42.059 -0.016 0.000 1.287 220 L HN -0.081 nan 8.230 nan 0.000 0.435 221 Y N 0.991 121.373 120.300 0.136 0.000 2.512 221 Y HA 0.528 5.079 4.550 0.001 0.000 0.348 221 Y C -0.344 175.683 175.900 0.211 0.000 0.990 221 Y CA -0.692 57.437 58.100 0.048 0.000 1.033 221 Y CB 1.822 40.074 38.460 -0.348 0.000 1.259 221 Y HN 0.278 nan 8.280 nan 0.000 0.461 222 L N 2.347 123.747 121.223 0.296 0.000 2.334 222 L HA 0.544 4.884 4.340 0.001 0.000 0.277 222 L C 0.337 177.458 176.870 0.419 0.000 1.075 222 L CA -0.691 54.302 54.840 0.255 0.000 0.804 222 L CB 1.327 43.390 42.059 0.006 0.000 1.174 222 L HN 0.745 nan 8.230 nan 0.000 0.438 223 T N -1.478 113.291 114.554 0.359 0.000 2.907 223 T HA 0.363 4.713 4.350 0.001 0.000 0.284 223 T C 0.966 175.744 174.700 0.130 0.000 1.004 223 T CA -0.283 61.973 62.100 0.260 0.000 1.063 223 T CB 1.748 70.600 68.868 -0.025 0.000 0.992 223 T HN 0.687 nan 8.240 nan 0.000 0.483 224 G N 0.182 108.992 108.800 0.015 0.000 2.683 224 G HA2 0.326 4.286 3.960 0.001 0.000 0.213 224 G HA3 0.326 4.286 3.960 0.001 0.000 0.213 224 G C 0.481 175.302 174.900 -0.132 0.000 1.142 224 G CA 0.485 45.553 45.100 -0.054 0.000 0.793 224 G HN 0.994 nan 8.290 nan 0.000 0.534 225 T N -2.122 112.335 114.554 -0.162 0.000 2.894 225 T HA 0.522 4.872 4.350 0.001 0.000 0.309 225 T C 1.054 175.661 174.700 -0.155 0.000 1.208 225 T CA 0.402 62.428 62.100 -0.124 0.000 1.016 225 T CB 1.506 70.361 68.868 -0.021 0.000 1.192 225 T HN 0.191 nan 8.240 nan 0.000 0.491 226 A N 1.717 124.452 122.820 -0.142 0.000 2.125 226 A HA 0.023 4.343 4.320 0.001 0.000 0.219 226 A C 1.919 179.412 177.584 -0.153 0.000 1.156 226 A CA 1.847 53.786 52.037 -0.163 0.000 0.671 226 A CB -0.771 18.146 19.000 -0.139 0.000 0.794 226 A HN 0.940 nan 8.150 nan 0.000 0.459 227 E N 0.212 120.363 120.200 -0.082 0.000 2.118 227 E HA -0.166 4.185 4.350 0.001 0.000 0.195 227 E C 1.712 178.232 176.600 -0.133 0.000 0.992 227 E CA 1.635 58.010 56.400 -0.042 0.000 0.804 227 E CB -0.150 29.615 29.700 0.108 0.000 0.741 227 E HN 0.383 nan 8.360 nan 0.000 0.458 228 V N 0.519 120.300 119.914 -0.221 0.000 2.407 228 V HA -0.227 3.893 4.120 0.001 0.000 0.248 228 V C 2.361 178.239 176.094 -0.360 0.000 1.055 228 V CA 1.347 63.421 62.300 -0.377 0.000 1.049 228 V CB -0.150 31.209 31.823 -0.774 0.000 0.662 228 V HN 0.194 nan 8.190 nan 0.000 0.455 229 V N -1.077 118.640 119.914 -0.329 0.000 2.379 229 V HA -0.098 4.023 4.120 0.001 0.000 0.243 229 V C 2.267 178.170 176.094 -0.319 0.000 1.035 229 V CA 1.158 63.273 62.300 -0.307 0.000 1.035 229 V CB -0.285 31.364 31.823 -0.291 0.000 0.673 229 V HN 0.371 nan 8.190 nan 0.000 0.457 230 L N 0.850 121.855 121.223 -0.363 0.000 2.042 230 L HA -0.187 4.153 4.340 0.001 0.000 0.210 230 L C 2.269 178.761 176.870 -0.630 0.000 1.076 230 L CA 1.911 56.454 54.840 -0.496 0.000 0.749 230 L CB -1.297 40.461 42.059 -0.502 0.000 0.893 230 L HN 0.422 nan 8.230 nan 0.000 0.432 231 N N -0.639 117.731 118.700 -0.551 0.000 2.309 231 N HA -0.119 4.621 4.740 0.001 0.000 0.182 231 N C 1.417 176.887 175.510 -0.067 0.000 1.018 231 N CA 1.071 53.980 53.050 -0.235 0.000 0.876 231 N CB 0.302 38.804 38.487 0.026 0.000 0.972 231 N HN 0.361 nan 8.380 nan 0.000 0.434 232 A N 0.428 123.165 122.820 -0.138 0.000 2.275 232 A HA 0.204 4.525 4.320 0.001 0.000 0.212 232 A C 2.080 179.600 177.584 -0.107 0.000 1.201 232 A CA -0.279 51.706 52.037 -0.086 0.000 0.843 232 A CB -0.095 18.836 19.000 -0.115 0.000 0.873 232 A HN 0.232 nan 8.150 nan 0.000 0.492 233 L N -0.889 120.218 121.223 -0.193 0.000 2.083 233 L HA -0.141 4.199 4.340 0.001 0.000 0.209 233 L C 1.554 178.257 176.870 -0.279 0.000 1.083 233 L CA 0.953 55.611 54.840 -0.304 0.000 0.752 233 L CB -0.354 41.397 42.059 -0.515 0.000 0.899 233 L HN 0.487 nan 8.230 nan 0.000 0.433 234 H N -1.276 117.832 119.070 0.064 0.000 2.505 234 H HA 0.255 4.811 4.556 0.001 0.000 0.286 234 H C 0.549 175.924 175.328 0.078 0.000 1.072 234 H CA -0.240 55.858 56.048 0.083 0.000 1.141 234 H CB 0.301 30.138 29.762 0.125 0.000 1.550 234 H HN 0.119 nan 8.280 nan 0.000 0.547 235 S N 0.018 115.799 115.700 0.135 0.000 2.546 235 S HA 0.218 4.689 4.470 0.001 0.000 0.290 235 S C 1.440 176.099 174.600 0.097 0.000 1.290 235 S CA 0.803 59.071 58.200 0.112 0.000 1.069 235 S CB 0.621 63.863 63.200 0.069 0.000 0.846 235 S HN 0.777 nan 8.310 nan 0.000 0.495 236 G N 1.903 110.761 108.800 0.098 0.000 2.184 236 G HA2 -0.262 3.698 3.960 0.001 0.000 0.264 236 G HA3 -0.262 3.698 3.960 0.001 0.000 0.264 236 G C -0.091 174.850 174.900 0.069 0.000 0.975 236 G CA 0.493 45.636 45.100 0.073 0.000 0.642 236 G HN 0.720 nan 8.290 nan 0.000 0.536 237 E N -0.238 120.020 120.200 0.096 0.000 2.214 237 E HA 0.652 5.002 4.350 0.001 0.000 0.274 237 E C -0.165 176.472 176.600 0.062 0.000 0.977 237 E CA -1.042 55.411 56.400 0.088 0.000 0.827 237 E CB 0.754 30.540 29.700 0.142 0.000 1.130 237 E HN 0.269 nan 8.360 nan 0.000 0.394 238 I N 4.827 125.416 120.570 0.033 0.000 2.355 238 I HA 0.212 4.383 4.170 0.001 0.000 0.288 238 I C -0.458 175.674 176.117 0.024 0.000 0.999 238 I CA -0.613 60.697 61.300 0.016 0.000 1.163 238 I CB 1.073 39.063 38.000 -0.017 0.000 1.316 238 I HN 0.394 nan 8.210 nan 0.000 0.454 239 L N 8.552 129.798 121.223 0.038 0.000 2.371 239 L HA 0.383 4.723 4.340 0.001 0.000 0.272 239 L C -1.992 174.915 176.870 0.061 0.000 1.124 239 L CA -1.734 53.112 54.840 0.010 0.000 0.816 239 L CB 0.248 42.276 42.059 -0.052 0.000 1.129 239 L HN 0.340 nan 8.230 nan 0.000 0.448 240 P HA -0.118 nan 4.420 nan 0.000 0.268 240 P C 0.128 177.487 177.300 0.099 0.000 1.204 240 P CA -0.042 63.101 63.100 0.071 0.000 0.768 240 P CB 0.519 32.239 31.700 0.033 0.000 0.842 241 Y N 3.449 123.782 120.300 0.055 0.000 2.241 241 Y HA -0.268 4.282 4.550 0.001 0.000 0.286 241 Y C 1.750 177.630 175.900 -0.033 0.000 1.166 241 Y CA 2.087 60.217 58.100 0.049 0.000 1.203 241 Y CB -0.429 38.074 38.460 0.071 0.000 0.977 241 Y HN 0.342 nan 8.280 nan 0.000 0.529 242 E N -0.229 119.950 120.200 -0.036 0.000 2.347 242 E HA -0.017 4.333 4.350 0.001 0.000 0.196 242 E C 2.091 178.587 176.600 -0.173 0.000 1.008 242 E CA 0.825 57.159 56.400 -0.110 0.000 0.852 242 E CB -0.383 29.316 29.700 -0.002 0.000 0.783 242 E HN 0.524 nan 8.360 nan 0.000 0.505 243 A N 0.200 122.918 122.820 -0.170 0.000 2.067 243 A HA 0.046 4.367 4.320 0.001 0.000 0.217 243 A C 0.631 178.053 177.584 -0.271 0.000 1.156 243 A CA 0.178 52.106 52.037 -0.183 0.000 0.683 243 A CB -0.020 18.887 19.000 -0.155 0.000 0.808 243 A HN 0.105 nan 8.150 nan 0.000 0.455 244 L N 1.269 122.270 121.223 -0.370 0.000 2.397 244 L HA 0.334 4.674 4.340 0.001 0.000 0.271 244 L C -1.947 174.680 176.870 -0.405 0.000 1.148 244 L CA -1.915 52.665 54.840 -0.433 0.000 0.825 244 L CB 0.329 42.038 42.059 -0.582 0.000 1.117 244 L HN 0.144 nan 8.230 nan 0.000 0.456 245 P HA 0.211 nan 4.420 nan 0.000 0.284 245 P C -0.893 176.184 177.300 -0.371 0.000 1.253 245 P CA -0.728 62.164 63.100 -0.347 0.000 0.800 245 P CB 1.113 32.634 31.700 -0.298 0.000 0.961 246 L N 4.251 125.235 121.223 -0.400 0.000 2.360 246 L HA 0.229 4.570 4.340 0.001 0.000 0.276 246 L C 1.142 177.659 176.870 -0.588 0.000 1.121 246 L CA 0.539 55.066 54.840 -0.521 0.000 0.845 246 L CB -0.231 41.487 42.059 -0.568 0.000 1.143 246 L HN 0.316 nan 8.230 nan 0.000 0.452 247 R N 4.238 124.350 120.500 -0.648 0.000 2.358 247 R HA 0.366 4.706 4.340 0.001 0.000 0.309 247 R C -1.460 174.666 176.300 -0.291 0.000 1.026 247 R CA -0.668 54.954 56.100 -0.796 0.000 0.909 247 R CB 1.020 30.450 30.300 -1.449 0.000 1.153 247 R HN 0.309 nan 8.270 nan 0.000 0.515 248 Y N 0.667 121.068 120.300 0.169 0.000 2.360 248 Y HA 0.475 5.026 4.550 0.001 0.000 0.337 248 Y C 0.337 176.496 175.900 0.431 0.000 1.039 248 Y CA -1.705 56.553 58.100 0.263 0.000 1.109 248 Y CB 2.085 40.684 38.460 0.231 0.000 1.201 248 Y HN 0.532 nan 8.280 nan 0.000 0.458 249 A N 2.556 125.666 122.820 0.484 0.000 2.316 249 A HA 0.686 5.007 4.320 0.001 0.000 0.324 249 A C 0.269 177.965 177.584 0.186 0.000 1.375 249 A CA -0.291 51.926 52.037 0.299 0.000 0.882 249 A CB -0.340 18.785 19.000 0.209 0.000 1.152 249 A HN 0.842 nan 8.150 nan 0.000 0.512 250 G N 0.944 109.828 108.800 0.140 0.000 2.417 250 G HA2 0.493 4.454 3.960 0.001 0.000 0.320 250 G HA3 0.493 4.454 3.960 0.001 0.000 0.320 250 G C -0.950 173.987 174.900 0.062 0.000 1.204 250 G CA -0.371 44.765 45.100 0.059 0.000 0.923 250 G HN 0.672 nan 8.290 nan 0.000 0.466 251 Y N 2.263 122.553 120.300 -0.016 0.000 2.342 251 Y HA 0.701 5.251 4.550 0.001 0.000 0.334 251 Y C -0.144 175.744 175.900 -0.020 0.000 1.067 251 Y CA -1.036 57.056 58.100 -0.014 0.000 1.128 251 Y CB 1.668 40.121 38.460 -0.013 0.000 1.200 251 Y HN 0.809 nan 8.280 nan 0.000 0.464 252 A N 6.631 128.814 122.820 -1.062 0.000 2.589 252 A HA 0.619 4.939 4.320 0.001 0.000 0.296 252 A C -3.153 174.000 177.584 -0.718 0.000 1.062 252 A CA -1.877 49.649 52.037 -0.852 0.000 0.686 252 A CB 1.132 19.901 19.000 -0.384 0.000 1.282 252 A HN 0.563 nan 8.150 nan 0.000 0.404 253 P HA 0.312 nan 4.420 nan 0.000 0.265 253 P C -0.325 176.758 177.300 -0.362 0.000 1.187 253 P CA 0.622 63.584 63.100 -0.230 0.000 0.766 253 P CB 0.743 32.434 31.700 -0.016 0.000 0.820 254 A N 3.114 125.496 122.820 -0.730 0.000 2.355 254 A HA 0.763 5.083 4.320 0.001 0.000 0.324 254 A C -1.257 175.812 177.584 -0.858 0.000 1.117 254 A CA -0.389 51.189 52.037 -0.764 0.000 0.785 254 A CB 0.607 18.809 19.000 -1.330 0.000 1.254 254 A HN 0.357 nan 8.150 nan 0.000 0.453 255 F N 1.095 120.891 119.950 -0.257 0.000 2.507 255 F HA 0.573 5.100 4.527 0.001 0.000 0.328 255 F C 0.586 176.305 175.800 -0.136 0.000 1.136 255 F CA -0.205 57.742 58.000 -0.088 0.000 0.930 255 F CB 2.197 41.284 39.000 0.146 0.000 1.166 255 F HN 0.519 nan 8.300 nan 0.000 0.436 256 R N 0.845 121.293 120.500 -0.086 0.000 2.561 256 R HA 0.319 4.660 4.340 0.001 0.000 0.297 256 R C 0.845 176.843 176.300 -0.503 0.000 0.969 256 R CA -0.360 55.645 56.100 -0.158 0.000 0.879 256 R CB 2.067 32.384 30.300 0.029 0.000 1.178 256 R HN 0.775 nan 8.270 nan 0.000 0.445 257 S N 1.532 116.861 115.700 -0.617 0.000 2.419 257 S HA -0.151 4.320 4.470 0.001 0.000 0.233 257 S C 0.503 175.041 174.600 -0.104 0.000 1.016 257 S CA 0.773 58.558 58.200 -0.691 0.000 0.974 257 S CB -0.059 62.986 63.200 -0.258 0.000 0.786 257 S HN 0.695 nan 8.310 nan 0.000 0.492 258 E N 0.338 120.503 120.200 -0.059 0.000 2.360 258 E HA -0.193 4.158 4.350 0.001 0.000 0.238 258 E C 0.156 176.774 176.600 0.031 0.000 1.186 258 E CA 0.818 57.199 56.400 -0.031 0.000 0.719 258 E CB -2.197 27.416 29.700 -0.145 0.000 1.236 258 E HN 0.824 nan 8.360 nan 0.000 0.386 259 A N 0.476 123.332 122.820 0.059 0.000 2.897 259 A HA 0.439 4.759 4.320 0.001 0.000 0.287 259 A C 0.970 178.595 177.584 0.068 0.000 1.748 259 A CA 0.935 53.021 52.037 0.082 0.000 1.397 259 A CB -0.203 18.853 19.000 0.093 0.000 1.049 259 A HN 0.580 nan 8.150 nan 0.000 0.592 260 G N 0.294 109.128 108.800 0.056 0.000 1.834 260 G HA2 0.345 4.306 3.960 0.001 0.000 0.247 260 G HA3 0.345 4.306 3.960 0.001 0.000 0.247 260 G C -0.517 174.412 174.900 0.047 0.000 1.691 260 G CA -0.025 45.108 45.100 0.056 0.000 0.922 260 G HN 0.708 nan 8.290 nan 0.000 0.682 261 S N 1.032 116.776 115.700 0.074 0.000 2.592 261 S HA 0.648 5.118 4.470 0.001 0.000 0.271 261 S C -0.025 174.692 174.600 0.194 0.000 1.326 261 S CA -0.452 57.809 58.200 0.102 0.000 1.024 261 S CB 0.300 63.558 63.200 0.097 0.000 0.921 261 S HN 0.475 nan 8.310 nan 0.000 0.527 262 F N 3.697 123.650 119.950 0.004 0.000 2.438 262 F HA 0.384 4.912 4.527 0.001 0.000 0.360 262 F C 1.427 177.230 175.800 0.005 0.000 1.118 262 F CA -1.192 56.807 58.000 -0.002 0.000 1.164 262 F CB 0.397 39.393 39.000 -0.007 0.000 1.131 262 F HN 0.786 nan 8.300 nan 0.000 0.527 263 G N 4.575 113.433 108.800 0.096 0.000 2.440 263 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 263 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 263 G C 0.973 175.812 174.900 -0.101 0.000 1.154 263 G CA 0.187 45.283 45.100 -0.007 0.000 0.767 263 G HN 0.346 nan 8.290 nan 0.000 0.552 264 K N 2.062 122.283 120.400 -0.298 0.000 2.171 264 K HA 0.078 4.399 4.320 0.001 0.000 0.274 264 K C -0.856 175.587 176.600 -0.262 0.000 1.110 264 K CA -0.352 55.724 56.287 -0.351 0.000 0.952 264 K CB -0.450 31.697 32.500 -0.588 0.000 1.309 264 K HN 0.034 nan 8.250 nan 0.000 0.414 265 D N 2.893 123.254 120.400 -0.065 0.000 2.854 265 D HA -0.134 4.506 4.640 0.001 0.000 0.243 265 D C 1.288 177.672 176.300 0.140 0.000 1.243 265 D CA 0.803 54.834 54.000 0.052 0.000 0.883 265 D CB 0.241 41.062 40.800 0.036 0.000 1.145 265 D HN 0.399 nan 8.370 nan 0.000 0.555 266 V N 1.911 121.975 119.914 0.249 0.000 0.629 266 V HA -0.461 3.659 4.120 0.001 0.000 0.092 266 V C 1.287 177.578 176.094 0.328 0.000 1.516 266 V CA 2.191 64.648 62.300 0.262 0.000 3.288 266 V CB -1.167 30.743 31.823 0.144 0.000 0.553 266 V HN 0.720 nan 8.190 nan 0.000 0.561 267 R N -1.023 119.637 120.500 0.267 0.000 3.076 267 R HA 0.655 4.996 4.340 0.001 0.000 0.239 267 R C 0.322 176.785 176.300 0.271 0.000 1.392 267 R CA 0.148 56.401 56.100 0.255 0.000 1.044 267 R CB 2.036 32.460 30.300 0.207 0.000 1.389 267 R HN 1.153 nan 8.270 nan 0.000 0.498 268 G N -0.258 108.731 108.800 0.315 0.000 2.317 268 G HA2 -0.148 3.812 3.960 0.001 0.000 0.196 268 G HA3 -0.148 3.812 3.960 0.001 0.000 0.196 268 G C -0.391 174.714 174.900 0.342 0.000 1.255 268 G CA -0.489 44.789 45.100 0.297 0.000 1.243 268 G HN 0.384 nan 8.290 nan 0.000 0.535 269 L N 1.185 122.621 121.223 0.355 0.000 2.728 269 L HA 0.317 4.657 4.340 0.001 0.000 0.238 269 L C 2.482 179.250 176.870 -0.171 0.000 1.143 269 L CA -0.178 54.655 54.840 -0.011 0.000 0.937 269 L CB 0.099 42.094 42.059 -0.107 0.000 1.225 269 L HN 0.395 nan 8.230 nan 0.000 0.507 270 M N -0.226 119.337 119.600 -0.063 0.000 2.193 270 M HA 0.013 4.494 4.480 0.001 0.000 0.265 270 M C 1.062 177.169 176.300 -0.322 0.000 1.071 270 M CA 1.173 56.401 55.300 -0.121 0.000 1.140 270 M CB -0.401 32.318 32.600 0.198 0.000 1.369 270 M HN 0.108 nan 8.290 nan 0.000 0.423 271 R N 1.188 121.421 120.500 -0.445 0.000 2.625 271 R HA 0.480 4.821 4.340 0.001 0.000 0.286 271 R C -1.413 174.635 176.300 -0.421 0.000 1.406 271 R CA -0.228 55.524 56.100 -0.579 0.000 1.052 271 R CB 1.080 30.777 30.300 -1.006 0.000 1.203 271 R HN 0.044 nan 8.270 nan 0.000 0.502 272 V N -0.208 119.514 119.914 -0.320 0.000 3.113 272 V HA 0.473 4.593 4.120 0.001 0.000 0.316 272 V C 0.708 176.716 176.094 -0.143 0.000 1.125 272 V CA -0.762 61.434 62.300 -0.173 0.000 1.026 272 V CB 1.907 33.758 31.823 0.046 0.000 1.080 272 V HN 0.676 nan 8.190 nan 0.000 0.444 273 H N -0.049 119.047 119.070 0.043 0.000 2.470 273 H HA 0.192 4.749 4.556 0.001 0.000 0.289 273 H C 0.666 175.973 175.328 -0.035 0.000 1.033 273 H CA 1.477 57.493 56.048 -0.054 0.000 1.331 273 H CB 0.663 30.423 29.762 -0.003 0.000 1.414 273 H HN 0.763 nan 8.280 nan 0.000 0.545 274 Q N 0.178 120.063 119.800 0.142 0.000 2.304 274 Q HA 0.406 4.747 4.340 0.001 0.000 0.270 274 Q C -1.521 174.511 176.000 0.053 0.000 1.035 274 Q CA -0.715 54.961 55.803 -0.211 0.000 0.781 274 Q CB 1.545 30.083 28.738 -0.334 0.000 1.261 274 Q HN 0.058 nan 8.270 nan 0.000 0.444 275 F N -0.624 119.135 119.950 -0.318 0.000 2.824 275 F HA 0.614 5.142 4.527 0.001 0.000 0.330 275 F C -1.422 174.176 175.800 -0.336 0.000 1.175 275 F CA -1.185 56.683 58.000 -0.220 0.000 0.974 275 F CB 1.119 40.031 39.000 -0.146 0.000 1.430 275 F HN 0.502 nan 8.300 nan 0.000 0.507 276 H N -0.069 119.120 119.070 0.198 0.000 2.495 276 H HA 0.610 5.166 4.556 0.001 0.000 0.348 276 H C -1.229 174.194 175.328 0.159 0.000 1.113 276 H CA -0.946 55.177 56.048 0.125 0.000 1.195 276 H CB 2.089 32.018 29.762 0.278 0.000 1.521 276 H HN 0.646 nan 8.280 nan 0.000 0.509 277 K N 2.735 123.231 120.400 0.160 0.000 2.535 277 K HA 0.384 4.704 4.320 0.001 0.000 0.250 277 K C -1.596 175.085 176.600 0.135 0.000 0.948 277 K CA -0.680 55.694 56.287 0.145 0.000 0.796 277 K CB 1.703 34.255 32.500 0.086 0.000 1.216 277 K HN 0.339 nan 8.250 nan 0.000 0.432 278 V N 3.251 123.256 119.914 0.153 0.000 2.432 278 V HA 0.227 4.348 4.120 0.001 0.000 0.271 278 V C -0.025 176.104 176.094 0.058 0.000 1.046 278 V CA -0.432 61.947 62.300 0.131 0.000 0.945 278 V CB 1.007 32.887 31.823 0.095 0.000 0.992 278 V HN 0.773 nan 8.190 nan 0.000 0.471 279 E N 3.820 124.057 120.200 0.060 0.000 2.202 279 E HA 0.415 4.765 4.350 0.001 0.000 0.272 279 E C -0.715 175.948 176.600 0.106 0.000 0.951 279 E CA -0.472 55.969 56.400 0.070 0.000 0.813 279 E CB 1.424 31.167 29.700 0.071 0.000 1.151 279 E HN 0.666 nan 8.360 nan 0.000 0.398 280 Q N 2.747 122.608 119.800 0.101 0.000 2.325 280 Q HA 0.306 4.646 4.340 0.001 0.000 0.262 280 Q C -1.443 174.743 176.000 0.310 0.000 0.968 280 Q CA -0.705 55.173 55.803 0.125 0.000 0.877 280 Q CB 1.543 30.242 28.738 -0.065 0.000 1.253 280 Q HN 0.561 nan 8.270 nan 0.000 0.448 281 Y N 1.992 122.477 120.300 0.308 0.000 2.442 281 Y HA 0.582 5.133 4.550 0.001 0.000 0.344 281 Y C -1.539 174.473 175.900 0.186 0.000 0.976 281 Y CA -0.778 57.459 58.100 0.229 0.000 1.040 281 Y CB 1.346 39.945 38.460 0.232 0.000 1.228 281 Y HN 0.365 nan 8.280 nan 0.000 0.451 282 V N 6.944 126.549 119.914 -0.515 0.000 2.760 282 V HA 0.453 4.574 4.120 0.001 0.000 0.309 282 V C -1.556 174.127 176.094 -0.684 0.000 1.077 282 V CA -0.905 61.117 62.300 -0.463 0.000 0.910 282 V CB 2.016 33.723 31.823 -0.194 0.000 1.008 282 V HN 0.682 nan 8.190 nan 0.000 0.424 283 L N 3.902 124.847 121.223 -0.463 0.000 2.349 283 L HA 0.838 5.178 4.340 0.001 0.000 0.278 283 L C -0.440 176.270 176.870 -0.267 0.000 0.996 283 L CA 0.540 55.209 54.840 -0.284 0.000 0.825 283 L CB 1.455 43.438 42.059 -0.127 0.000 1.243 283 L HN 0.880 nan 8.230 nan 0.000 0.412 284 T N 2.982 117.403 114.554 -0.222 0.000 2.716 284 T HA 0.458 4.809 4.350 0.001 0.000 0.286 284 T C -0.792 173.667 174.700 -0.401 0.000 1.052 284 T CA -0.433 61.496 62.100 -0.285 0.000 1.024 284 T CB 1.359 70.118 68.868 -0.182 0.000 1.349 284 T HN 0.763 nan 8.240 nan 0.000 0.525 285 E N 0.589 120.502 120.200 -0.479 0.000 2.369 285 E HA 0.568 4.919 4.350 0.001 0.000 0.255 285 E C -0.358 175.918 176.600 -0.540 0.000 1.172 285 E CA -0.793 55.214 56.400 -0.655 0.000 0.932 285 E CB 0.755 30.221 29.700 -0.389 0.000 1.040 285 E HN 0.568 nan 8.360 nan 0.000 0.454 286 A N 1.772 124.308 122.820 -0.474 0.000 3.063 286 A HA 0.237 4.558 4.320 0.001 0.000 0.263 286 A C -0.217 176.926 177.584 -0.735 0.000 1.736 286 A CA -0.084 51.286 52.037 -1.111 0.000 1.408 286 A CB -1.078 17.645 19.000 -0.461 0.000 1.108 286 A HN 0.525 nan 8.150 nan 0.000 0.621 287 S N 0.225 115.592 115.700 -0.554 0.000 2.547 287 S HA 0.515 4.985 4.470 0.001 0.000 0.281 287 S C 0.603 175.228 174.600 0.041 0.000 1.118 287 S CA -0.675 57.433 58.200 -0.154 0.000 0.947 287 S CB 1.092 64.249 63.200 -0.070 0.000 1.053 287 S HN 0.314 nan 8.310 nan 0.000 0.482 288 L N 1.483 122.778 121.223 0.119 0.000 2.043 288 L HA -0.181 4.160 4.340 0.001 0.000 0.212 288 L C 2.779 179.690 176.870 0.068 0.000 1.075 288 L CA 2.468 57.362 54.840 0.090 0.000 0.752 288 L CB -0.366 41.727 42.059 0.056 0.000 0.891 288 L HN 1.019 nan 8.230 nan 0.000 0.432 289 E N -0.105 120.124 120.200 0.049 0.000 2.152 289 E HA -0.156 4.195 4.350 0.001 0.000 0.192 289 E C 1.932 178.549 176.600 0.027 0.000 0.983 289 E CA 1.190 57.612 56.400 0.038 0.000 0.818 289 E CB -0.176 29.542 29.700 0.030 0.000 0.758 289 E HN 0.368 nan 8.360 nan 0.000 0.467 290 A N 0.668 123.496 122.820 0.013 0.000 1.898 290 A HA -0.123 4.198 4.320 0.001 0.000 0.216 290 A C 2.452 180.052 177.584 0.027 0.000 1.181 290 A CA 1.553 53.584 52.037 -0.010 0.000 0.620 290 A CB -1.046 17.914 19.000 -0.066 0.000 0.819 290 A HN 0.339 nan 8.150 nan 0.000 0.442 291 S N -0.004 115.748 115.700 0.086 0.000 2.351 291 S HA -0.220 4.251 4.470 0.001 0.000 0.220 291 S C 1.716 176.369 174.600 0.089 0.000 1.035 291 S CA 1.907 60.173 58.200 0.110 0.000 1.031 291 S CB -0.579 62.698 63.200 0.127 0.000 0.928 291 S HN 0.561 nan 8.310 nan 0.000 0.433 292 D N 0.720 121.155 120.400 0.058 0.000 2.158 292 D HA -0.095 4.546 4.640 0.001 0.000 0.197 292 D C 2.160 178.510 176.300 0.083 0.000 0.995 292 D CA 0.741 54.768 54.000 0.045 0.000 0.846 292 D CB -0.338 40.474 40.800 0.020 0.000 0.941 292 D HN 0.194 nan 8.370 nan 0.000 0.456 293 R N 0.772 121.309 120.500 0.062 0.000 2.073 293 R HA 0.076 4.416 4.340 0.001 0.000 0.229 293 R C 1.924 178.266 176.300 0.070 0.000 1.120 293 R CA 1.229 57.361 56.100 0.053 0.000 0.967 293 R CB -0.566 29.747 30.300 0.022 0.000 0.862 293 R HN 0.154 nan 8.270 nan 0.000 0.436 294 A N -0.011 122.853 122.820 0.073 0.000 1.873 294 A HA -0.156 4.165 4.320 0.001 0.000 0.215 294 A C 2.156 179.819 177.584 0.132 0.000 1.186 294 A CA 1.118 53.202 52.037 0.077 0.000 0.616 294 A CB -0.830 18.196 19.000 0.043 0.000 0.823 294 A HN 0.367 nan 8.150 nan 0.000 0.442 295 F N 0.582 120.530 119.950 -0.002 0.000 2.091 295 F HA -0.265 4.263 4.527 0.001 0.000 0.299 295 F C 2.624 178.413 175.800 -0.017 0.000 1.103 295 F CA 2.440 60.432 58.000 -0.014 0.000 1.228 295 F CB -0.198 38.781 39.000 -0.036 0.000 0.984 295 F HN 0.393 nan 8.300 nan 0.000 0.477 296 Q N 0.186 120.110 119.800 0.208 0.000 2.084 296 Q HA -0.274 4.067 4.340 0.001 0.000 0.202 296 Q C 2.286 178.302 176.000 0.028 0.000 0.978 296 Q CA 1.916 57.778 55.803 0.099 0.000 0.844 296 Q CB -0.396 28.398 28.738 0.093 0.000 0.898 296 Q HN 0.656 nan 8.270 nan 0.000 0.426 297 E N -0.250 119.977 120.200 0.045 0.000 2.072 297 E HA -0.193 4.157 4.350 0.001 0.000 0.191 297 E C 2.012 178.618 176.600 0.010 0.000 0.985 297 E CA 0.732 57.161 56.400 0.049 0.000 0.801 297 E CB 0.070 29.828 29.700 0.097 0.000 0.750 297 E HN 0.275 nan 8.360 nan 0.000 0.452 298 L N 0.697 121.908 121.223 -0.021 0.000 2.079 298 L HA -0.185 4.155 4.340 0.001 0.000 0.210 298 L C 2.333 179.091 176.870 -0.187 0.000 1.081 298 L CA 1.202 55.979 54.840 -0.104 0.000 0.752 298 L CB -0.832 41.143 42.059 -0.140 0.000 0.896 298 L HN 0.265 nan 8.230 nan 0.000 0.433 299 L N -0.781 120.306 121.223 -0.228 0.000 2.044 299 L HA -0.134 4.206 4.340 0.001 0.000 0.205 299 L C 2.436 179.209 176.870 -0.162 0.000 1.075 299 L CA 1.535 56.233 54.840 -0.237 0.000 0.747 299 L CB -0.515 41.407 42.059 -0.229 0.000 0.903 299 L HN 0.302 nan 8.230 nan 0.000 0.435 300 E N -0.863 119.285 120.200 -0.086 0.000 2.204 300 E HA -0.191 4.160 4.350 0.001 0.000 0.194 300 E C 1.856 178.438 176.600 -0.030 0.000 0.989 300 E CA 1.147 57.522 56.400 -0.042 0.000 0.824 300 E CB -0.154 29.551 29.700 0.009 0.000 0.756 300 E HN 0.620 nan 8.360 nan 0.000 0.477 301 N N 0.489 119.174 118.700 -0.026 0.000 2.106 301 N HA -0.133 4.608 4.740 0.001 0.000 0.188 301 N C 1.942 177.397 175.510 -0.092 0.000 1.029 301 N CA 0.808 53.896 53.050 0.063 0.000 0.848 301 N CB -0.077 38.408 38.487 -0.005 0.000 1.007 301 N HN 0.072 nan 8.380 nan 0.000 0.423 302 A N 1.612 124.305 122.820 -0.211 0.000 1.902 302 A HA -0.180 4.141 4.320 0.001 0.000 0.217 302 A C 1.944 179.212 177.584 -0.528 0.000 1.181 302 A CA 1.355 53.154 52.037 -0.397 0.000 0.623 302 A CB -0.451 18.241 19.000 -0.514 0.000 0.818 302 A HN 0.289 nan 8.150 nan 0.000 0.443 303 E N -0.842 119.083 120.200 -0.458 0.000 2.110 303 E HA -0.230 4.120 4.350 0.001 0.000 0.193 303 E C 2.054 178.465 176.600 -0.315 0.000 0.988 303 E CA 1.249 57.337 56.400 -0.521 0.000 0.804 303 E CB -0.108 29.449 29.700 -0.238 0.000 0.745 303 E HN 0.623 nan 8.360 nan 0.000 0.458 304 E N 1.167 121.249 120.200 -0.198 0.000 2.077 304 E HA -0.142 4.208 4.350 0.001 0.000 0.193 304 E C 1.836 178.240 176.600 -0.327 0.000 0.989 304 E CA 0.919 57.236 56.400 -0.138 0.000 0.800 304 E CB -0.171 29.567 29.700 0.063 0.000 0.746 304 E HN 0.241 nan 8.360 nan 0.000 0.452 305 I N -0.001 120.239 120.570 -0.551 0.000 2.226 305 I HA -0.266 3.905 4.170 0.001 0.000 0.245 305 I C 2.223 178.235 176.117 -0.174 0.000 1.100 305 I CA 0.824 61.843 61.300 -0.469 0.000 1.374 305 I CB -0.193 37.526 38.000 -0.469 0.000 1.057 305 I HN 0.136 nan 8.210 nan 0.000 0.413 306 L N 0.057 121.141 121.223 -0.231 0.000 2.083 306 L HA -0.195 4.145 4.340 0.001 0.000 0.209 306 L C 2.711 179.590 176.870 0.015 0.000 1.083 306 L CA 1.345 56.105 54.840 -0.133 0.000 0.752 306 L CB -0.605 41.236 42.059 -0.363 0.000 0.899 306 L HN 0.193 nan 8.230 nan 0.000 0.433 307 R N 0.022 120.537 120.500 0.025 0.000 2.075 307 R HA -0.101 4.239 4.340 0.001 0.000 0.232 307 R C 2.276 178.608 176.300 0.053 0.000 1.126 307 R CA 1.081 57.239 56.100 0.096 0.000 0.963 307 R CB -0.359 29.999 30.300 0.096 0.000 0.858 307 R HN 0.317 nan 8.270 nan 0.000 0.435 308 L N 0.177 121.414 121.223 0.024 0.000 2.156 308 L HA -0.133 4.207 4.340 0.001 0.000 0.208 308 L C 1.855 178.702 176.870 -0.039 0.000 1.095 308 L CA 0.521 55.377 54.840 0.027 0.000 0.770 308 L CB -0.218 41.917 42.059 0.127 0.000 0.914 308 L HN 0.123 nan 8.230 nan 0.000 0.439 309 L N -0.094 121.113 121.223 -0.028 0.000 2.465 309 L HA -0.064 4.276 4.340 0.001 0.000 0.224 309 L C 0.822 177.775 176.870 0.138 0.000 1.145 309 L CA 0.917 55.755 54.840 -0.004 0.000 0.834 309 L CB -0.832 41.227 42.059 -0.001 0.000 0.944 309 L HN 0.272 nan 8.230 nan 0.000 0.451 310 E N -0.541 119.727 120.200 0.112 0.000 2.389 310 E HA -0.237 4.113 4.350 0.001 0.000 0.243 310 E C -0.325 176.413 176.600 0.230 0.000 1.154 310 E CA 0.076 56.561 56.400 0.142 0.000 0.723 310 E CB -1.720 28.021 29.700 0.068 0.000 1.261 310 E HN 0.336 nan 8.360 nan 0.000 0.390 311 L N 0.875 122.216 121.223 0.197 0.000 2.322 311 L HA 0.503 4.843 4.340 0.001 0.000 0.279 311 L C -1.809 175.189 176.870 0.213 0.000 1.036 311 L CA -2.265 52.683 54.840 0.179 0.000 0.807 311 L CB 0.885 43.021 42.059 0.128 0.000 1.226 311 L HN -0.127 nan 8.230 nan 0.000 0.433 312 P HA 0.179 nan 4.420 nan 0.000 0.276 312 P C -1.647 175.823 177.300 0.283 0.000 1.230 312 P CA 0.104 63.278 63.100 0.124 0.000 0.776 312 P CB 0.569 32.295 31.700 0.044 0.000 0.888 313 Y N 0.840 121.254 120.300 0.189 0.000 2.677 313 Y HA 0.806 5.357 4.550 0.001 0.000 0.334 313 Y C -0.493 175.443 175.900 0.061 0.000 1.154 313 Y CA -1.470 56.747 58.100 0.195 0.000 1.070 313 Y CB 1.515 40.011 38.460 0.060 0.000 1.294 313 Y HN 0.537 nan 8.280 nan 0.000 0.475 314 R N 1.152 121.734 120.500 0.136 0.000 2.739 314 R HA 0.785 5.125 4.340 0.001 0.000 0.271 314 R C -2.188 174.132 176.300 0.032 0.000 1.010 314 R CA -0.980 55.052 56.100 -0.113 0.000 0.897 314 R CB 1.848 31.818 30.300 -0.551 0.000 1.236 314 R HN 0.827 nan 8.270 nan 0.000 0.466 315 L N 1.279 122.507 121.223 0.008 0.000 2.330 315 L HA 0.768 5.108 4.340 0.001 0.000 0.271 315 L C -0.669 176.194 176.870 -0.011 0.000 1.013 315 L CA -1.503 53.350 54.840 0.022 0.000 0.816 315 L CB 2.107 44.189 42.059 0.038 0.000 1.287 315 L HN 0.352 nan 8.230 nan 0.000 0.435 316 V N 0.713 120.632 119.914 0.009 0.000 2.686 316 V HA 0.241 4.362 4.120 0.001 0.000 0.306 316 V C -0.582 175.543 176.094 0.051 0.000 1.065 316 V CA -0.600 61.709 62.300 0.014 0.000 0.894 316 V CB 2.200 34.028 31.823 0.008 0.000 1.004 316 V HN 0.707 nan 8.190 nan 0.000 0.424 317 E N 3.133 123.372 120.200 0.066 0.000 2.223 317 E HA 0.424 4.775 4.350 0.001 0.000 0.282 317 E C -0.746 175.906 176.600 0.087 0.000 1.046 317 E CA -0.066 56.397 56.400 0.106 0.000 0.857 317 E CB 1.369 31.152 29.700 0.138 0.000 1.055 317 E HN 0.448 nan 8.360 nan 0.000 0.409 318 V N 4.173 124.146 119.914 0.099 0.000 2.498 318 V HA 0.473 4.594 4.120 0.001 0.000 0.279 318 V C 0.626 176.760 176.094 0.066 0.000 1.048 318 V CA -0.396 61.948 62.300 0.073 0.000 0.967 318 V CB 1.016 32.883 31.823 0.073 0.000 0.988 318 V HN 0.899 nan 8.190 nan 0.000 0.473 319 A N 3.761 126.602 122.820 0.034 0.000 2.386 319 A HA 0.379 4.700 4.320 0.001 0.000 0.246 319 A C 1.624 179.208 177.584 -0.000 0.000 1.089 319 A CA 0.413 52.453 52.037 0.005 0.000 0.790 319 A CB 0.138 19.137 19.000 -0.002 0.000 1.042 319 A HN 1.096 nan 8.150 nan 0.000 0.497 320 T N -0.788 113.748 114.554 -0.030 0.000 2.708 320 T HA -0.095 4.255 4.350 0.001 0.000 0.266 320 T C 1.845 176.537 174.700 -0.013 0.000 1.037 320 T CA 1.704 63.784 62.100 -0.035 0.000 1.146 320 T CB -0.977 67.853 68.868 -0.063 0.000 0.865 320 T HN 1.013 nan 8.240 nan 0.000 0.435 321 G N 0.773 109.568 108.800 -0.008 0.000 2.448 321 G HA2 -0.160 3.801 3.960 0.001 0.000 0.219 321 G HA3 -0.160 3.801 3.960 0.001 0.000 0.219 321 G C 1.264 176.176 174.900 0.020 0.000 1.127 321 G CA 1.026 46.128 45.100 0.003 0.000 0.766 321 G HN 0.614 nan 8.290 nan 0.000 0.552 322 D N -0.447 119.968 120.400 0.025 0.000 2.389 322 D HA 0.083 4.724 4.640 0.001 0.000 0.206 322 D C 2.634 178.965 176.300 0.052 0.000 1.055 322 D CA 0.039 54.065 54.000 0.043 0.000 0.856 322 D CB -0.031 40.793 40.800 0.040 0.000 0.957 322 D HN 0.402 nan 8.370 nan 0.000 0.509 323 M N -1.698 117.926 119.600 0.039 0.000 2.558 323 M HA 0.318 4.799 4.480 0.001 0.000 0.255 323 M C 0.936 177.258 176.300 0.037 0.000 1.113 323 M CA 0.562 55.886 55.300 0.039 0.000 1.097 323 M CB 0.088 32.708 32.600 0.033 0.000 1.426 323 M HN -0.099 nan 8.290 nan 0.000 0.488 324 G N 1.505 110.334 108.800 0.047 0.000 2.705 324 G HA2 -0.123 3.838 3.960 0.001 0.000 0.686 324 G HA3 -0.123 3.838 3.960 0.001 0.000 0.686 324 G C -2.328 172.529 174.900 -0.072 0.000 1.285 324 G CA -0.530 44.610 45.100 0.067 0.000 0.800 324 G HN 0.158 nan 8.290 nan 0.000 0.611 325 P HA -0.091 nan 4.420 nan 0.000 0.216 325 P C 1.678 178.604 177.300 -0.624 0.000 1.153 325 P CA 2.232 65.199 63.100 -0.221 0.000 0.858 325 P CB -0.062 31.599 31.700 -0.066 0.000 0.789 326 G N -1.059 107.071 108.800 -1.117 0.000 3.233 326 G HA2 0.029 3.990 3.960 0.001 0.000 0.227 326 G HA3 0.029 3.990 3.960 0.001 0.000 0.227 326 G C 0.306 174.793 174.900 -0.688 0.000 1.175 326 G CA -0.048 43.944 45.100 -1.846 0.000 0.781 326 G HN 0.196 nan 8.290 nan 0.000 0.542 327 K N -0.174 120.031 120.400 -0.326 0.000 2.156 327 K HA 0.285 4.605 4.320 0.001 0.000 0.271 327 K C 0.368 177.001 176.600 0.056 0.000 0.995 327 K CA -0.971 55.269 56.287 -0.078 0.000 0.890 327 K CB 1.526 34.010 32.500 -0.027 0.000 1.073 327 K HN 0.223 nan 8.250 nan 0.000 0.454 328 W N 4.138 125.382 121.300 -0.093 0.000 2.539 328 W HA 0.092 4.752 4.660 0.001 0.000 0.299 328 W C -0.111 176.422 176.519 0.023 0.000 1.165 328 W CA 0.556 57.872 57.345 -0.048 0.000 1.400 328 W CB 0.556 29.947 29.460 -0.114 0.000 1.123 328 W HN 0.402 nan 8.180 nan 0.000 0.533 329 R N 1.220 121.715 120.500 -0.007 0.000 2.584 329 R HA 0.214 4.555 4.340 0.001 0.000 0.276 329 R C -1.513 174.794 176.300 0.013 0.000 1.046 329 R CA -0.415 55.534 56.100 -0.253 0.000 0.906 329 R CB 2.067 31.813 30.300 -0.924 0.000 1.215 329 R HN -0.001 nan 8.270 nan 0.000 0.449 330 Q N 3.244 123.104 119.800 0.101 0.000 2.305 330 Q HA 0.489 4.830 4.340 0.001 0.000 0.271 330 Q C -1.835 174.296 176.000 0.217 0.000 1.046 330 Q CA -0.813 55.119 55.803 0.216 0.000 0.798 330 Q CB 2.638 31.451 28.738 0.125 0.000 1.286 330 Q HN 0.419 nan 8.270 nan 0.000 0.435 331 V N 3.691 123.747 119.914 0.237 0.000 2.531 331 V HA 0.379 4.499 4.120 0.001 0.000 0.301 331 V C -0.864 175.256 176.094 0.043 0.000 1.034 331 V CA -0.760 61.622 62.300 0.136 0.000 0.865 331 V CB 2.027 33.946 31.823 0.161 0.000 0.995 331 V HN 0.793 nan 8.190 nan 0.000 0.424 332 D N 3.741 124.166 120.400 0.040 0.000 2.268 332 D HA 0.602 5.242 4.640 0.001 0.000 0.249 332 D C -0.394 175.914 176.300 0.014 0.000 1.008 332 D CA -0.178 53.839 54.000 0.029 0.000 0.939 332 D CB 2.337 43.163 40.800 0.043 0.000 1.170 332 D HN 0.303 nan 8.370 nan 0.000 0.468 333 I N 1.022 121.602 120.570 0.016 0.000 2.406 333 I HA 0.228 4.399 4.170 0.001 0.000 0.290 333 I C 0.047 176.214 176.117 0.084 0.000 0.999 333 I CA -0.575 60.725 61.300 0.000 0.000 1.124 333 I CB 1.461 39.356 38.000 -0.175 0.000 1.289 333 I HN 0.044 nan 8.210 nan 0.000 0.441 334 E N 5.196 125.471 120.200 0.125 0.000 2.199 334 E HA 0.580 4.931 4.350 0.001 0.000 0.269 334 E C -1.243 175.560 176.600 0.339 0.000 0.899 334 E CA -0.772 55.748 56.400 0.201 0.000 0.772 334 E CB 3.269 33.092 29.700 0.204 0.000 1.155 334 E HN 0.234 nan 8.360 nan 0.000 0.408 335 V N 2.663 122.756 119.914 0.298 0.000 2.667 335 V HA 0.168 4.289 4.120 0.001 0.000 0.308 335 V C -0.739 175.471 176.094 0.194 0.000 1.048 335 V CA -0.862 61.621 62.300 0.305 0.000 0.928 335 V CB 1.146 33.067 31.823 0.164 0.000 1.004 335 V HN 0.616 nan 8.190 nan 0.000 0.444 336 Y N 3.980 124.214 120.300 -0.110 0.000 2.442 336 Y HA 0.415 4.966 4.550 0.001 0.000 0.330 336 Y C -0.227 175.548 175.900 -0.209 0.000 1.129 336 Y CA -0.322 57.514 58.100 -0.440 0.000 1.365 336 Y CB 0.989 39.108 38.460 -0.568 0.000 1.233 336 Y HN 0.523 nan 8.280 nan 0.000 0.529 337 L N 10.613 131.430 121.223 -0.677 0.000 2.313 337 L HA 0.456 4.796 4.340 0.001 0.000 0.273 337 L C -2.118 174.354 176.870 -0.664 0.000 1.028 337 L CA -2.296 52.273 54.840 -0.452 0.000 0.871 337 L CB 1.299 43.173 42.059 -0.308 0.000 1.242 337 L HN 0.435 nan 8.230 nan 0.000 0.434 338 P HA -0.237 nan 4.420 nan 0.000 0.217 338 P C 1.517 178.730 177.300 -0.145 0.000 1.158 338 P CA 2.064 65.077 63.100 -0.145 0.000 0.887 338 P CB 0.172 31.955 31.700 0.139 0.000 0.792 339 S N -1.208 114.424 115.700 -0.114 0.000 2.447 339 S HA -0.126 4.344 4.470 0.001 0.000 0.233 339 S C 1.567 176.098 174.600 -0.116 0.000 1.006 339 S CA 1.043 59.193 58.200 -0.083 0.000 0.957 339 S CB -0.884 62.290 63.200 -0.043 0.000 0.773 339 S HN 0.280 nan 8.310 nan 0.000 0.507 340 E N 0.509 120.595 120.200 -0.190 0.000 2.498 340 E HA 0.289 4.640 4.350 0.001 0.000 0.203 340 E C 0.892 177.363 176.600 -0.214 0.000 1.013 340 E CA 0.030 56.320 56.400 -0.183 0.000 0.927 340 E CB 0.259 29.841 29.700 -0.195 0.000 1.012 340 E HN 0.626 nan 8.360 nan 0.000 0.482 341 G N 3.170 111.795 108.800 -0.292 0.000 2.341 341 G HA2 -0.344 3.617 3.960 0.001 0.000 0.292 341 G HA3 -0.344 3.617 3.960 0.001 0.000 0.292 341 G C 0.108 174.896 174.900 -0.186 0.000 1.021 341 G CA 1.340 46.334 45.100 -0.177 0.000 0.905 341 G HN 0.376 nan 8.290 nan 0.000 0.508 342 R N -2.541 117.623 120.500 -0.561 0.000 2.692 342 R HA 0.601 4.942 4.340 0.001 0.000 0.269 342 R C -0.920 175.149 176.300 -0.386 0.000 1.030 342 R CA -1.308 54.634 56.100 -0.262 0.000 0.882 342 R CB 0.850 31.105 30.300 -0.076 0.000 1.250 342 R HN 0.034 nan 8.270 nan 0.000 0.465 343 Y N 0.945 121.268 120.300 0.038 0.000 2.346 343 Y HA 0.371 4.921 4.550 0.001 0.000 0.330 343 Y C 0.338 176.240 175.900 0.003 0.000 1.178 343 Y CA 0.139 58.284 58.100 0.075 0.000 1.331 343 Y CB 0.846 39.383 38.460 0.127 0.000 1.253 343 Y HN 0.208 nan 8.280 nan 0.000 0.529 344 R N 1.987 122.568 120.500 0.135 0.000 2.621 344 R HA 0.176 4.516 4.340 0.001 0.000 0.292 344 R C -0.774 175.577 176.300 0.086 0.000 0.969 344 R CA -1.123 55.020 56.100 0.070 0.000 0.887 344 R CB 1.729 32.026 30.300 -0.005 0.000 1.180 344 R HN 0.762 nan 8.270 nan 0.000 0.450 345 E N 1.311 121.551 120.200 0.066 0.000 2.417 345 E HA -0.034 4.317 4.350 0.001 0.000 0.261 345 E C 0.051 176.662 176.600 0.017 0.000 1.000 345 E CA 0.527 56.960 56.400 0.054 0.000 0.919 345 E CB 0.683 30.403 29.700 0.034 0.000 0.955 345 E HN 0.669 nan 8.360 nan 0.000 0.455 346 T N 0.850 115.440 114.554 0.059 0.000 2.959 346 T HA 0.152 4.503 4.350 0.001 0.000 0.254 346 T C -0.176 174.464 174.700 -0.099 0.000 1.003 346 T CA -0.181 61.912 62.100 -0.012 0.000 0.950 346 T CB 0.100 69.013 68.868 0.076 0.000 1.090 346 T HN 0.496 nan 8.240 nan 0.000 0.503 347 H N 0.252 119.286 119.070 -0.061 0.000 2.974 347 H HA 0.733 5.290 4.556 0.001 0.000 0.366 347 H C -1.323 173.970 175.328 -0.058 0.000 1.155 347 H CA -0.689 55.317 56.048 -0.070 0.000 1.186 347 H CB 2.114 31.813 29.762 -0.105 0.000 1.799 347 H HN 0.036 nan 8.280 nan 0.000 0.541 348 S N 1.242 116.978 115.700 0.060 0.000 2.561 348 S HA 0.395 4.865 4.470 0.001 0.000 0.303 348 S C -0.867 173.726 174.600 -0.011 0.000 1.110 348 S CA -0.522 57.692 58.200 0.024 0.000 1.034 348 S CB 1.348 64.562 63.200 0.023 0.000 1.010 348 S HN 0.710 nan 8.310 nan 0.000 0.482 349 C N 4.011 123.268 119.300 -0.073 0.000 2.281 349 C HA 0.763 5.223 4.460 0.001 0.000 0.323 349 C C 0.069 175.035 174.990 -0.040 0.000 1.270 349 C CA -0.146 58.741 59.018 -0.218 0.000 1.559 349 C CB -0.943 26.434 27.740 -0.604 0.000 2.239 349 C HN 0.871 nan 8.230 nan 0.000 0.488 350 S N 3.327 119.079 115.700 0.087 0.000 2.536 350 S HA 0.864 5.335 4.470 0.001 0.000 0.298 350 S C -0.550 174.243 174.600 0.322 0.000 1.083 350 S CA -0.504 57.847 58.200 0.253 0.000 0.995 350 S CB 1.773 65.049 63.200 0.127 0.000 1.058 350 S HN 1.064 nan 8.310 nan 0.000 0.488 351 A N 1.847 124.881 122.820 0.356 0.000 2.304 351 A HA 0.727 5.047 4.320 0.001 0.000 0.314 351 A C -0.396 177.264 177.584 0.127 0.000 1.187 351 A CA -0.514 51.664 52.037 0.235 0.000 0.810 351 A CB 0.140 19.239 19.000 0.166 0.000 1.183 351 A HN 0.709 nan 8.150 nan 0.000 0.487 352 L N 2.921 124.174 121.223 0.051 0.000 2.959 352 L HA 0.280 4.621 4.340 0.001 0.000 0.259 352 L C 0.570 177.402 176.870 -0.062 0.000 1.185 352 L CA 0.086 54.946 54.840 0.033 0.000 0.998 352 L CB -0.500 41.623 42.059 0.108 0.000 1.337 352 L HN 0.772 nan 8.230 nan 0.000 0.555 353 L N 0.563 121.589 121.223 -0.328 0.000 6.032 353 L HA -0.378 3.963 4.340 0.001 0.000 0.053 353 L C 0.922 177.519 176.870 -0.454 0.000 2.286 353 L CA 2.341 56.628 54.840 -0.922 0.000 1.682 353 L CB -1.016 40.512 42.059 -0.885 0.000 2.737 353 L HN 0.683 nan 8.230 nan 0.000 0.986 354 D N -2.206 118.069 120.400 -0.208 0.000 2.463 354 D HA 0.056 4.697 4.640 0.001 0.000 0.224 354 D C 1.435 177.805 176.300 0.116 0.000 1.174 354 D CA 0.047 54.137 54.000 0.149 0.000 0.829 354 D CB -0.788 40.203 40.800 0.320 0.000 0.993 354 D HN 0.579 nan 8.370 nan 0.000 0.497 355 W N 1.340 122.607 121.300 -0.055 0.000 2.388 355 W HA -0.059 4.601 4.660 0.001 0.000 0.294 355 W C 1.831 178.341 176.519 -0.015 0.000 1.212 355 W CA 1.364 58.690 57.345 -0.031 0.000 1.271 355 W CB 0.291 29.752 29.460 0.003 0.000 1.126 355 W HN -0.008 nan 8.180 nan 0.000 0.535 356 Q N -0.470 119.504 119.800 0.291 0.000 2.163 356 Q HA -0.018 4.323 4.340 0.001 0.000 0.198 356 Q C 2.414 178.458 176.000 0.074 0.000 0.954 356 Q CA 1.199 57.097 55.803 0.158 0.000 0.851 356 Q CB -0.637 28.259 28.738 0.264 0.000 0.928 356 Q HN 0.281 nan 8.270 nan 0.000 0.459 357 A N 1.782 124.679 122.820 0.128 0.000 1.940 357 A HA -0.192 4.128 4.320 0.001 0.000 0.219 357 A C 1.965 179.569 177.584 0.033 0.000 1.176 357 A CA 1.285 53.438 52.037 0.194 0.000 0.631 357 A CB -0.344 18.860 19.000 0.339 0.000 0.814 357 A HN 0.203 nan 8.150 nan 0.000 0.446 358 R N -1.036 119.264 120.500 -0.332 0.000 2.276 358 R HA 0.067 4.407 4.340 0.001 0.000 0.203 358 R C 2.054 178.160 176.300 -0.324 0.000 1.017 358 R CA 0.829 56.512 56.100 -0.695 0.000 1.010 358 R CB -0.050 29.790 30.300 -0.767 0.000 0.900 358 R HN 0.509 nan 8.270 nan 0.000 0.469 359 R N -0.285 120.076 120.500 -0.232 0.000 2.123 359 R HA 0.191 4.531 4.340 0.001 0.000 0.209 359 R C 1.853 178.120 176.300 -0.055 0.000 1.078 359 R CA 0.846 56.834 56.100 -0.188 0.000 1.028 359 R CB 0.098 30.238 30.300 -0.268 0.000 0.939 359 R HN 0.055 nan 8.270 nan 0.000 0.463 360 A N 1.328 124.150 122.820 0.003 0.000 2.218 360 A HA -0.013 4.307 4.320 0.001 0.000 0.209 360 A C 0.381 178.030 177.584 0.109 0.000 1.168 360 A CA 0.189 52.261 52.037 0.058 0.000 0.804 360 A CB -0.242 18.809 19.000 0.085 0.000 0.834 360 A HN 0.462 nan 8.150 nan 0.000 0.482 361 N N -0.961 117.831 118.700 0.154 0.000 2.726 361 N HA -0.131 4.610 4.740 0.001 0.000 0.253 361 N C -0.969 174.686 175.510 0.242 0.000 1.059 361 N CA 0.543 53.743 53.050 0.251 0.000 0.701 361 N CB -1.988 36.596 38.487 0.162 0.000 0.899 361 N HN 0.435 nan 8.380 nan 0.000 0.548 362 L N 1.041 122.447 121.223 0.305 0.000 2.296 362 L HA 0.614 4.954 4.340 0.001 0.000 0.286 362 L C 0.844 177.858 176.870 0.240 0.000 1.023 362 L CA -0.568 54.425 54.840 0.254 0.000 0.812 362 L CB 1.619 43.841 42.059 0.271 0.000 1.223 362 L HN 0.181 nan 8.230 nan 0.000 0.421 363 R N 2.137 122.719 120.500 0.137 0.000 2.739 363 R HA 0.656 4.997 4.340 0.001 0.000 0.271 363 R C -1.727 174.649 176.300 0.127 0.000 1.010 363 R CA -0.884 55.240 56.100 0.039 0.000 0.897 363 R CB 2.742 32.938 30.300 -0.173 0.000 1.236 363 R HN 0.544 nan 8.270 nan 0.000 0.466 364 Y N -1.773 118.488 120.300 -0.066 0.000 2.655 364 Y HA 0.567 5.118 4.550 0.001 0.000 0.336 364 Y C -1.333 174.546 175.900 -0.036 0.000 1.154 364 Y CA -1.409 56.669 58.100 -0.036 0.000 1.055 364 Y CB 1.405 39.857 38.460 -0.014 0.000 1.295 364 Y HN 0.420 nan 8.280 nan 0.000 0.465 365 R N 2.969 123.441 120.500 -0.048 0.000 2.246 365 R HA 0.220 4.561 4.340 0.001 0.000 0.332 365 R C -0.639 175.658 176.300 -0.004 0.000 0.974 365 R CA -0.571 55.457 56.100 -0.120 0.000 0.837 365 R CB 0.377 30.661 30.300 -0.027 0.000 1.145 365 R HN 0.949 nan 8.270 nan 0.000 0.467 366 D N 4.930 125.196 120.400 -0.224 0.000 2.384 366 D HA 0.050 4.691 4.640 0.001 0.000 0.244 366 D C -1.671 174.451 176.300 -0.296 0.000 1.251 366 D CA -1.619 52.310 54.000 -0.119 0.000 0.961 366 D CB 0.680 41.348 40.800 -0.220 0.000 1.116 366 D HN 0.251 nan 8.370 nan 0.000 0.484 367 P HA -0.071 nan 4.420 nan 0.000 0.226 367 P C 0.202 177.358 177.300 -0.240 0.000 1.146 367 P CA 1.173 63.972 63.100 -0.502 0.000 0.773 367 P CB 0.099 31.455 31.700 -0.572 0.000 0.772 368 E N -1.834 118.248 120.200 -0.196 0.000 2.558 368 E HA 0.291 4.642 4.350 0.001 0.000 0.205 368 E C 1.157 177.689 176.600 -0.114 0.000 1.006 368 E CA 0.184 56.505 56.400 -0.131 0.000 0.961 368 E CB -0.162 29.468 29.700 -0.117 0.000 1.044 368 E HN 0.099 nan 8.360 nan 0.000 0.465 369 G N 1.722 110.451 108.800 -0.118 0.000 2.179 369 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 369 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 369 G C 0.476 175.303 174.900 -0.122 0.000 0.977 369 G CA -0.153 44.887 45.100 -0.100 0.000 0.641 369 G HN 0.103 nan 8.290 nan 0.000 0.533 370 R N 0.398 120.808 120.500 -0.150 0.000 2.438 370 R HA 0.473 4.813 4.340 0.001 0.000 0.287 370 R C 0.274 176.420 176.300 -0.255 0.000 1.077 370 R CA -0.252 55.745 56.100 -0.171 0.000 1.034 370 R CB 1.117 31.323 30.300 -0.157 0.000 0.993 370 R HN 0.130 nan 8.270 nan 0.000 0.459 371 V N 5.596 125.363 119.914 -0.244 0.000 2.465 371 V HA 0.380 4.500 4.120 0.001 0.000 0.279 371 V C 0.595 176.453 176.094 -0.395 0.000 1.045 371 V CA -0.214 61.892 62.300 -0.323 0.000 0.938 371 V CB 1.272 32.953 31.823 -0.236 0.000 0.986 371 V HN 0.625 nan 8.190 nan 0.000 0.467 372 R N 2.471 122.620 120.500 -0.585 0.000 2.795 372 R HA 0.497 4.838 4.340 0.001 0.000 0.275 372 R C -1.548 174.541 176.300 -0.352 0.000 0.981 372 R CA -0.898 54.906 56.100 -0.492 0.000 0.917 372 R CB 1.969 31.913 30.300 -0.594 0.000 1.202 372 R HN 0.564 nan 8.270 nan 0.000 0.469 373 Y N 1.160 121.480 120.300 0.033 0.000 2.526 373 Y HA 0.166 4.716 4.550 0.001 0.000 0.330 373 Y C 0.998 177.086 175.900 0.312 0.000 1.156 373 Y CA 0.321 58.516 58.100 0.158 0.000 1.419 373 Y CB 0.601 39.151 38.460 0.150 0.000 1.250 373 Y HN 0.658 nan 8.280 nan 0.000 0.540 374 A N 3.434 126.549 122.820 0.492 0.000 2.292 374 A HA 0.351 4.672 4.320 0.001 0.000 0.265 374 A C -1.178 176.662 177.584 0.427 0.000 1.133 374 A CA -0.193 52.047 52.037 0.340 0.000 0.807 374 A CB 0.161 19.268 19.000 0.179 0.000 1.102 374 A HN 0.603 nan 8.150 nan 0.000 0.502 375 Y N -0.550 119.765 120.300 0.026 0.000 2.409 375 Y HA 0.559 5.109 4.550 0.001 0.000 0.339 375 Y C 0.840 176.716 175.900 -0.040 0.000 1.033 375 Y CA -0.829 57.275 58.100 0.006 0.000 1.094 375 Y CB 1.833 40.269 38.460 -0.040 0.000 1.210 375 Y HN 0.805 nan 8.280 nan 0.000 0.456 376 T N 1.310 115.925 114.554 0.102 0.000 2.908 376 T HA 0.904 5.254 4.350 0.001 0.000 0.290 376 T C -1.084 173.599 174.700 -0.028 0.000 1.034 376 T CA -0.749 61.332 62.100 -0.033 0.000 1.010 376 T CB 1.881 70.768 68.868 0.032 0.000 1.068 376 T HN 0.315 nan 8.240 nan 0.000 0.481 377 L N 2.010 123.163 121.223 -0.117 0.000 2.424 377 L HA 0.759 5.099 4.340 0.001 0.000 0.258 377 L C -0.907 175.942 176.870 -0.036 0.000 0.995 377 L CA -0.803 54.031 54.840 -0.010 0.000 0.821 377 L CB 2.485 44.571 42.059 0.044 0.000 1.383 377 L HN 1.102 nan 8.230 nan 0.000 0.410 378 N N -0.261 118.471 118.700 0.053 0.000 2.598 378 N HA 0.715 5.455 4.740 0.001 0.000 0.263 378 N C -1.533 174.002 175.510 0.041 0.000 1.254 378 N CA -0.759 52.348 53.050 0.095 0.000 0.863 378 N CB 1.737 40.340 38.487 0.193 0.000 1.586 378 N HN 0.497 nan 8.380 nan 0.000 0.491 379 N N -1.041 117.682 118.700 0.039 0.000 2.484 379 N HA 0.481 5.222 4.740 0.001 0.000 0.269 379 N C -1.613 173.914 175.510 0.028 0.000 1.237 379 N CA -0.356 52.691 53.050 -0.006 0.000 0.838 379 N CB 2.215 40.651 38.487 -0.086 0.000 1.593 379 N HN 0.647 nan 8.380 nan 0.000 0.485 380 T N 1.180 115.759 114.554 0.042 0.000 2.918 380 T HA 0.443 4.794 4.350 0.001 0.000 0.302 380 T C 1.124 175.857 174.700 0.056 0.000 1.045 380 T CA 0.240 62.344 62.100 0.006 0.000 1.114 380 T CB 1.096 69.885 68.868 -0.132 0.000 0.965 380 T HN 0.591 nan 8.240 nan 0.000 0.540 381 A N 2.267 125.085 122.820 -0.004 0.000 1.887 381 A HA 0.518 4.838 4.320 0.001 0.000 0.210 381 A C 0.308 177.888 177.584 -0.006 0.000 1.221 381 A CA 0.528 52.566 52.037 0.002 0.000 0.635 381 A CB 0.073 19.049 19.000 -0.040 0.000 0.881 381 A HN 0.540 nan 8.150 nan 0.000 0.456 382 L N -1.629 119.538 121.223 -0.094 0.000 2.588 382 L HA 0.658 4.999 4.340 0.001 0.000 0.263 382 L C -1.038 175.773 176.870 -0.097 0.000 0.935 382 L CA -0.117 54.643 54.840 -0.133 0.000 0.891 382 L CB 1.405 43.435 42.059 -0.048 0.000 1.318 382 L HN 0.354 nan 8.230 nan 0.000 0.409 383 A N 2.401 125.140 122.820 -0.134 0.000 2.318 383 A HA 0.847 5.167 4.320 0.001 0.000 0.317 383 A C -0.170 177.406 177.584 -0.014 0.000 1.159 383 A CA 0.049 52.091 52.037 0.009 0.000 0.799 383 A CB 1.024 20.023 19.000 -0.001 0.000 1.194 383 A HN 0.766 nan 8.150 nan 0.000 0.479 384 T N -0.048 114.558 114.554 0.087 0.000 2.945 384 T HA 0.685 5.036 4.350 0.001 0.000 0.286 384 T C -2.120 172.597 174.700 0.028 0.000 1.025 384 T CA -1.795 60.317 62.100 0.020 0.000 1.039 384 T CB 1.865 70.780 68.868 0.077 0.000 1.068 384 T HN 0.339 nan 8.240 nan 0.000 0.497 385 P HA 0.117 nan 4.420 nan 0.000 0.249 385 P C 1.211 178.341 177.300 -0.283 0.000 1.229 385 P CA -0.044 62.882 63.100 -0.289 0.000 0.788 385 P CB 0.226 31.506 31.700 -0.700 0.000 1.072 386 R N 1.320 121.644 120.500 -0.294 0.000 2.091 386 R HA -0.137 4.204 4.340 0.001 0.000 0.238 386 R C 1.975 178.131 176.300 -0.240 0.000 1.136 386 R CA 1.891 57.819 56.100 -0.285 0.000 0.959 386 R CB -0.770 29.352 30.300 -0.297 0.000 0.856 386 R HN 0.154 nan 8.270 nan 0.000 0.437 387 I N -0.206 120.245 120.570 -0.199 0.000 3.001 387 I HA -0.128 4.042 4.170 0.001 0.000 0.268 387 I C 1.854 177.860 176.117 -0.185 0.000 1.267 387 I CA 0.967 62.166 61.300 -0.168 0.000 1.472 387 I CB -0.292 37.629 38.000 -0.132 0.000 1.089 387 I HN 0.105 nan 8.210 nan 0.000 0.468 388 L N 0.858 121.962 121.223 -0.199 0.000 2.156 388 L HA -0.069 4.271 4.340 0.001 0.000 0.208 388 L C 2.844 179.605 176.870 -0.182 0.000 1.095 388 L CA 1.049 55.794 54.840 -0.159 0.000 0.770 388 L CB -0.562 41.426 42.059 -0.120 0.000 0.914 388 L HN 0.385 nan 8.230 nan 0.000 0.439 389 A N -0.032 122.588 122.820 -0.335 0.000 1.883 389 A HA -0.258 4.063 4.320 0.001 0.000 0.217 389 A C 2.187 179.581 177.584 -0.317 0.000 1.186 389 A CA 2.006 53.677 52.037 -0.611 0.000 0.624 389 A CB -0.429 18.047 19.000 -0.873 0.000 0.822 389 A HN 0.334 nan 8.150 nan 0.000 0.444 390 M N -0.753 118.706 119.600 -0.234 0.000 2.349 390 M HA 0.094 4.574 4.480 0.001 0.000 0.266 390 M C 1.887 178.076 176.300 -0.184 0.000 1.076 390 M CA 0.820 56.022 55.300 -0.163 0.000 1.126 390 M CB -0.303 32.222 32.600 -0.124 0.000 1.392 390 M HN 0.331 nan 8.290 nan 0.000 0.440 391 L N -0.687 120.423 121.223 -0.190 0.000 2.072 391 L HA -0.157 4.184 4.340 0.001 0.000 0.205 391 L C 2.193 178.970 176.870 -0.155 0.000 1.079 391 L CA 0.974 55.654 54.840 -0.266 0.000 0.752 391 L CB -0.612 41.419 42.059 -0.046 0.000 0.906 391 L HN 0.293 nan 8.230 nan 0.000 0.436 392 L N -0.590 120.619 121.223 -0.024 0.000 2.027 392 L HA -0.193 4.148 4.340 0.001 0.000 0.206 392 L C 2.569 179.491 176.870 0.087 0.000 1.074 392 L CA 1.411 56.296 54.840 0.076 0.000 0.745 392 L CB -0.544 41.586 42.059 0.118 0.000 0.898 392 L HN 0.277 nan 8.230 nan 0.000 0.433 393 E N -0.020 120.210 120.200 0.050 0.000 2.072 393 E HA -0.164 4.186 4.350 0.001 0.000 0.191 393 E C 1.842 178.562 176.600 0.199 0.000 0.985 393 E CA 0.893 57.343 56.400 0.084 0.000 0.801 393 E CB -0.081 29.646 29.700 0.046 0.000 0.750 393 E HN 0.477 nan 8.360 nan 0.000 0.452 394 N N 0.108 118.871 118.700 0.105 0.000 2.409 394 N HA -0.059 4.682 4.740 0.001 0.000 0.179 394 N C 0.834 176.561 175.510 0.363 0.000 1.032 394 N CA 0.813 53.978 53.050 0.192 0.000 0.898 394 N CB 0.117 38.590 38.487 -0.023 0.000 0.971 394 N HN 0.394 nan 8.380 nan 0.000 0.441 395 H N -0.007 119.207 119.070 0.240 0.000 2.672 395 H HA 0.101 4.658 4.556 0.001 0.000 0.277 395 H C 0.210 175.677 175.328 0.232 0.000 1.074 395 H CA -0.499 55.675 56.048 0.210 0.000 1.173 395 H CB 0.639 30.478 29.762 0.128 0.000 1.558 395 H HN 0.280 nan 8.280 nan 0.000 0.539 396 Q N 1.674 121.689 119.800 0.359 0.000 2.330 396 Q HA 0.156 4.497 4.340 0.001 0.000 0.279 396 Q C -0.605 175.584 176.000 0.316 0.000 1.024 396 Q CA 0.294 56.249 55.803 0.254 0.000 0.900 396 Q CB 1.214 30.034 28.738 0.136 0.000 1.221 396 Q HN 0.340 nan 8.270 nan 0.000 0.396 397 L N 1.546 122.848 121.223 0.131 0.000 2.365 397 L HA 0.149 4.489 4.340 0.001 0.000 0.267 397 L C 1.386 177.995 176.870 -0.435 0.000 1.033 397 L CA -0.899 53.949 54.840 0.014 0.000 0.802 397 L CB 0.932 42.993 42.059 0.003 0.000 1.267 397 L HN 0.799 nan 8.230 nan 0.000 0.457 398 Q N 1.539 120.887 119.800 -0.754 0.000 2.082 398 Q HA -0.274 4.067 4.340 0.001 0.000 0.211 398 Q C 1.177 176.814 176.000 -0.606 0.000 1.002 398 Q CA 2.700 57.849 55.803 -1.091 0.000 0.868 398 Q CB -0.233 28.197 28.738 -0.514 0.000 0.931 398 Q HN 0.773 nan 8.270 nan 0.000 0.414 399 D N -2.074 118.126 120.400 -0.334 0.000 2.378 399 D HA 0.088 4.728 4.640 0.001 0.000 0.227 399 D C 1.153 177.340 176.300 -0.190 0.000 1.012 399 D CA 0.891 54.763 54.000 -0.213 0.000 0.905 399 D CB -0.393 40.325 40.800 -0.136 0.000 0.895 399 D HN 0.529 nan 8.370 nan 0.000 0.532 400 G N -0.267 108.411 108.800 -0.204 0.000 2.199 400 G HA2 -0.336 3.624 3.960 0.001 0.000 0.254 400 G HA3 -0.336 3.624 3.960 0.001 0.000 0.254 400 G C 0.513 175.368 174.900 -0.074 0.000 0.982 400 G CA 0.019 45.034 45.100 -0.142 0.000 0.632 400 G HN 0.454 nan 8.290 nan 0.000 0.529 401 R N -0.685 119.795 120.500 -0.033 0.000 2.652 401 R HA 0.617 4.957 4.340 0.001 0.000 0.271 401 R C -0.232 176.170 176.300 0.170 0.000 1.129 401 R CA -0.100 56.060 56.100 0.100 0.000 1.200 401 R CB 0.972 31.312 30.300 0.066 0.000 1.146 401 R HN 0.123 nan 8.270 nan 0.000 0.581 402 V N 1.534 121.586 119.914 0.231 0.000 2.638 402 V HA 0.287 4.407 4.120 0.001 0.000 0.306 402 V C -0.449 175.695 176.094 0.083 0.000 1.052 402 V CA -0.947 61.462 62.300 0.181 0.000 0.885 402 V CB 1.737 33.673 31.823 0.189 0.000 0.999 402 V HN 0.755 nan 8.190 nan 0.000 0.424 403 R N 3.757 124.312 120.500 0.093 0.000 2.490 403 R HA 0.707 5.048 4.340 0.001 0.000 0.278 403 R C -0.446 175.824 176.300 -0.050 0.000 1.069 403 R CA -0.469 55.632 56.100 0.001 0.000 1.080 403 R CB 1.551 31.842 30.300 -0.015 0.000 1.030 403 R HN 0.580 nan 8.270 nan 0.000 0.491 404 V N 0.354 120.202 119.914 -0.110 0.000 2.481 404 V HA 0.521 4.642 4.120 0.001 0.000 0.286 404 V C -2.239 173.798 176.094 -0.094 0.000 1.042 404 V CA -2.773 59.466 62.300 -0.102 0.000 0.928 404 V CB 0.929 32.639 31.823 -0.189 0.000 0.986 404 V HN 0.875 nan 8.190 nan 0.000 0.462 405 P HA -0.015 nan 4.420 nan 0.000 0.266 405 P C 0.221 177.473 177.300 -0.080 0.000 1.186 405 P CA 0.390 63.412 63.100 -0.131 0.000 0.767 405 P CB 0.699 32.352 31.700 -0.077 0.000 0.820 406 Q N 3.034 122.797 119.800 -0.063 0.000 2.133 406 Q HA -0.208 4.132 4.340 0.001 0.000 0.208 406 Q C 2.319 178.320 176.000 0.001 0.000 0.991 406 Q CA 2.863 58.651 55.803 -0.024 0.000 0.867 406 Q CB -1.274 27.458 28.738 -0.011 0.000 0.911 406 Q HN 0.653 nan 8.270 nan 0.000 0.417 407 A N -0.990 121.821 122.820 -0.014 0.000 2.125 407 A HA -0.080 4.241 4.320 0.001 0.000 0.219 407 A C 1.656 179.240 177.584 0.000 0.000 1.156 407 A CA 0.964 53.013 52.037 0.021 0.000 0.671 407 A CB -0.227 18.768 19.000 -0.009 0.000 0.794 407 A HN 0.355 nan 8.150 nan 0.000 0.459 408 L N -0.895 120.280 121.223 -0.079 0.000 2.640 408 L HA 0.264 4.605 4.340 0.001 0.000 0.230 408 L C 1.806 178.755 176.870 0.132 0.000 1.123 408 L CA 0.090 54.924 54.840 -0.010 0.000 0.900 408 L CB 0.079 42.064 42.059 -0.124 0.000 1.146 408 L HN 0.327 nan 8.230 nan 0.000 0.484 409 I N 0.660 121.275 120.570 0.074 0.000 2.226 409 I HA -0.197 3.974 4.170 0.001 0.000 0.245 409 I C -0.389 175.769 176.117 0.067 0.000 1.100 409 I CA 1.284 62.612 61.300 0.048 0.000 1.374 409 I CB -1.170 36.838 38.000 0.014 0.000 1.057 409 I HN 0.241 nan 8.210 nan 0.000 0.413 410 P HA -0.179 nan 4.420 nan 0.000 0.216 410 P C 1.263 178.508 177.300 -0.093 0.000 1.150 410 P CA 1.621 64.695 63.100 -0.045 0.000 0.837 410 P CB -0.121 31.509 31.700 -0.117 0.000 0.786 411 Y N -2.360 117.965 120.300 0.042 0.000 2.373 411 Y HA -0.028 4.522 4.550 0.001 0.000 0.293 411 Y C 2.393 178.320 175.900 0.046 0.000 1.129 411 Y CA 0.807 58.940 58.100 0.056 0.000 1.226 411 Y CB -0.552 37.956 38.460 0.080 0.000 1.000 411 Y HN -0.100 nan 8.280 nan 0.000 0.549 412 M N -1.939 117.764 119.600 0.171 0.000 2.429 412 M HA 0.257 4.738 4.480 0.001 0.000 0.265 412 M C 1.948 178.269 176.300 0.034 0.000 1.120 412 M CA 1.313 56.666 55.300 0.087 0.000 1.173 412 M CB -0.752 31.861 32.600 0.022 0.000 1.343 412 M HN 0.362 nan 8.290 nan 0.000 0.464 413 G N 1.410 110.223 108.800 0.021 0.000 2.195 413 G HA2 -0.197 3.764 3.960 0.001 0.000 0.224 413 G HA3 -0.197 3.764 3.960 0.001 0.000 0.224 413 G C 0.244 175.140 174.900 -0.006 0.000 0.990 413 G CA 0.512 45.614 45.100 0.003 0.000 0.639 413 G HN 0.479 nan 8.290 nan 0.000 0.514 414 K N -0.689 119.702 120.400 -0.015 0.000 2.555 414 K HA 0.669 4.989 4.320 0.001 0.000 0.279 414 K C -0.047 176.527 176.600 -0.044 0.000 0.986 414 K CA -0.661 55.611 56.287 -0.026 0.000 0.880 414 K CB 1.193 33.676 32.500 -0.028 0.000 1.474 414 K HN -0.090 nan 8.250 nan 0.000 0.433 415 E N 0.078 120.255 120.200 -0.038 0.000 2.385 415 E HA 0.126 4.477 4.350 0.001 0.000 0.194 415 E C -0.028 176.537 176.600 -0.059 0.000 1.013 415 E CA 0.217 56.590 56.400 -0.045 0.000 0.866 415 E CB 0.397 30.079 29.700 -0.028 0.000 0.832 415 E HN 0.339 nan 8.360 nan 0.000 0.500 416 V N 1.156 121.037 119.914 -0.054 0.000 2.841 416 V HA 0.269 4.390 4.120 0.001 0.000 0.310 416 V C -0.666 175.400 176.094 -0.047 0.000 1.090 416 V CA -0.878 61.398 62.300 -0.039 0.000 0.930 416 V CB 2.246 34.071 31.823 0.004 0.000 1.014 416 V HN 0.045 nan 8.190 nan 0.000 0.425 417 L N 4.088 125.277 121.223 -0.056 0.000 2.313 417 L HA 0.383 4.723 4.340 0.001 0.000 0.282 417 L C 0.406 177.439 176.870 0.272 0.000 1.092 417 L CA -0.261 54.557 54.840 -0.037 0.000 0.831 417 L CB 0.474 42.333 42.059 -0.333 0.000 1.159 417 L HN 0.599 nan 8.230 nan 0.000 0.442 418 E N 5.399 125.744 120.200 0.241 0.000 2.343 418 E HA 0.285 4.635 4.350 0.001 0.000 0.269 418 E C -2.187 174.662 176.600 0.415 0.000 1.047 418 E CA -1.837 54.714 56.400 0.252 0.000 0.874 418 E CB 0.749 30.529 29.700 0.134 0.000 1.033 418 E HN 0.307 nan 8.360 nan 0.000 0.409 419 P HA 0.052 nan 4.420 nan 0.000 0.272 419 P C 0.156 177.483 177.300 0.045 0.000 1.230 419 P CA -0.173 62.869 63.100 -0.096 0.000 0.788 419 P CB 1.153 32.712 31.700 -0.236 0.000 0.949 420 C N 1.388 120.690 119.300 0.004 0.000 4.006 420 C HA 0.770 5.230 4.460 0.001 0.000 0.146 420 C C 1.070 176.072 174.990 0.020 0.000 2.288 420 C CA 1.074 60.144 59.018 0.087 0.000 1.236 420 C CB 0.242 28.095 27.740 0.188 0.000 1.909 420 C HN 0.787 nan 8.230 nan 0.000 0.523 421 G N 0.000 108.809 108.800 0.015 0.000 5.446 421 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 421 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 421 G CA 0.000 45.102 45.100 0.004 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925