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 3oee_1_J DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAS AXXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.498 175.510 -0.020 0.000 1.280 26 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 26 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 27 L N -0.167 121.034 121.223 -0.037 0.000 1.864 27 L HA -0.164 4.176 4.340 0.000 0.000 0.494 27 L C 0.413 177.224 176.870 -0.099 0.000 0.738 27 L CA 0.819 55.616 54.840 -0.071 0.000 2.878 27 L CB -1.475 40.540 42.059 -0.073 0.000 0.911 27 L HN 0.163 nan 8.230 nan 0.000 0.676 28 N N 0.752 119.408 118.700 -0.073 0.000 2.216 28 N HA -0.077 4.663 4.740 0.000 0.000 0.183 28 N C 1.370 176.839 175.510 -0.069 0.000 1.017 28 N CA 1.583 54.590 53.050 -0.072 0.000 0.861 28 N CB 0.079 38.535 38.487 -0.052 0.000 0.986 28 N HN 0.470 nan 8.380 nan 0.000 0.428 29 E N -0.391 119.773 120.200 -0.060 0.000 2.460 29 E HA 0.125 4.475 4.350 0.000 0.000 0.200 29 E C 0.082 176.639 176.600 -0.070 0.000 1.011 29 E CA 0.354 56.718 56.400 -0.059 0.000 0.912 29 E CB 0.509 30.182 29.700 -0.045 0.000 0.953 29 E HN 0.331 nan 8.360 nan 0.000 0.494 30 T N -1.275 113.237 114.554 -0.070 0.000 2.906 30 T HA 0.767 5.117 4.350 0.000 0.000 0.295 30 T C 0.199 174.858 174.700 -0.068 0.000 1.061 30 T CA -0.804 61.256 62.100 -0.067 0.000 1.000 30 T CB 2.465 71.308 68.868 -0.040 0.000 1.103 30 T HN 0.027 nan 8.240 nan 0.000 0.486 31 G N 0.621 109.385 108.800 -0.060 0.000 2.733 31 G HA2 0.715 4.675 3.960 0.000 0.000 0.288 31 G HA3 0.715 4.675 3.960 0.000 0.000 0.288 31 G C -1.466 173.456 174.900 0.038 0.000 1.373 31 G CA -1.038 44.048 45.100 -0.023 0.000 0.895 31 G HN 0.603 nan 8.290 nan 0.000 0.479 32 R N -0.196 120.374 120.500 0.116 0.000 2.599 32 R HA 0.458 4.798 4.340 0.000 0.000 0.295 32 R C -0.656 175.729 176.300 0.142 0.000 0.963 32 R CA -0.763 55.413 56.100 0.127 0.000 0.883 32 R CB 1.944 32.330 30.300 0.144 0.000 1.171 32 R HN 0.329 nan 8.270 nan 0.000 0.450 33 V N 5.174 125.169 119.914 0.135 0.000 2.485 33 V HA -0.002 4.118 4.120 0.000 0.000 0.287 33 V C 1.810 177.961 176.094 0.094 0.000 1.022 33 V CA 0.331 62.716 62.300 0.141 0.000 1.067 33 V CB 0.372 32.288 31.823 0.154 0.000 0.967 33 V HN 0.656 nan 8.190 nan 0.000 0.479 34 L N 4.201 125.479 121.223 0.091 0.000 2.168 34 L HA 0.401 4.741 4.340 0.000 0.000 0.203 34 L C 0.973 177.862 176.870 0.032 0.000 1.078 34 L CA 1.288 56.159 54.840 0.051 0.000 0.780 34 L CB -0.050 42.045 42.059 0.059 0.000 0.939 34 L HN 0.782 nan 8.230 nan 0.000 0.451 35 A N -0.967 121.876 122.820 0.039 0.000 2.604 35 A HA 0.663 4.983 4.320 0.000 0.000 0.295 35 A C -1.722 175.873 177.584 0.017 0.000 1.067 35 A CA -0.395 51.654 52.037 0.020 0.000 0.683 35 A CB 2.008 21.017 19.000 0.015 0.000 1.281 35 A HN -0.201 nan 8.150 nan 0.000 0.407 36 V N 0.385 120.298 119.914 -0.003 0.000 2.817 36 V HA 0.907 5.027 4.120 0.000 0.000 0.303 36 V C -0.367 175.710 176.094 -0.028 0.000 1.151 36 V CA 0.797 63.083 62.300 -0.023 0.000 0.929 36 V CB 1.948 33.739 31.823 -0.054 0.000 1.030 36 V HN 2.391 nan 8.190 nan 0.000 0.427 37 G N 3.553 112.334 108.800 -0.031 0.000 2.476 37 G HA2 0.522 4.482 3.960 0.000 0.000 0.309 37 G HA3 0.522 4.482 3.960 0.000 0.000 0.309 37 G C -0.958 173.928 174.900 -0.023 0.000 1.575 37 G CA 0.090 45.174 45.100 -0.026 0.000 0.913 37 G HN 0.967 nan 8.290 nan 0.000 0.623 38 D N 0.275 120.662 120.400 -0.022 0.000 2.739 38 D HA -0.137 4.503 4.640 0.000 0.000 0.240 38 D C 1.592 177.885 176.300 -0.011 0.000 1.114 38 D CA 2.567 56.559 54.000 -0.014 0.000 0.695 38 D CB -1.173 39.619 40.800 -0.014 0.000 1.078 38 D HN 2.246 nan 8.370 nan 0.000 0.434 39 G N -0.619 108.171 108.800 -0.017 0.000 2.180 39 G HA2 -0.311 3.649 3.960 0.000 0.000 0.263 39 G HA3 -0.311 3.649 3.960 0.000 0.000 0.263 39 G C 0.303 175.198 174.900 -0.009 0.000 0.989 39 G CA 0.551 45.645 45.100 -0.009 0.000 0.692 39 G HN 0.533 nan 8.290 nan 0.000 0.526 40 I N 0.605 121.163 120.570 -0.019 0.000 2.406 40 I HA 0.672 4.842 4.170 0.000 0.000 0.290 40 I C 0.365 176.475 176.117 -0.010 0.000 0.999 40 I CA -0.809 60.488 61.300 -0.006 0.000 1.124 40 I CB 1.495 39.493 38.000 -0.004 0.000 1.289 40 I HN 0.279 nan 8.210 nan 0.000 0.441 41 A N 7.303 130.136 122.820 0.022 0.000 2.318 41 A HA 0.710 5.030 4.320 0.000 0.000 0.317 41 A C -0.226 177.416 177.584 0.097 0.000 1.159 41 A CA -0.726 51.344 52.037 0.055 0.000 0.799 41 A CB 0.996 20.050 19.000 0.089 0.000 1.194 41 A HN 0.713 nan 8.150 nan 0.000 0.479 42 R N 1.394 121.943 120.500 0.080 0.000 2.229 42 R HA 0.552 4.892 4.340 0.000 0.000 0.328 42 R C -1.201 175.164 176.300 0.109 0.000 1.009 42 R CA -0.295 55.853 56.100 0.081 0.000 0.864 42 R CB 1.599 31.933 30.300 0.058 0.000 1.085 42 R HN 0.477 nan 8.270 nan 0.000 0.453 43 V N 4.606 124.584 119.914 0.107 0.000 2.540 43 V HA 0.331 4.451 4.120 0.000 0.000 0.302 43 V C -0.554 175.621 176.094 0.133 0.000 1.035 43 V CA -0.921 61.450 62.300 0.117 0.000 0.873 43 V CB 1.528 33.393 31.823 0.069 0.000 0.992 43 V HN 0.545 nan 8.190 nan 0.000 0.428 44 F N 3.839 123.795 119.950 0.009 0.000 2.375 44 F HA 0.743 5.270 4.527 0.000 0.000 0.333 44 F C 0.958 176.752 175.800 -0.009 0.000 1.104 44 F CA 1.414 59.415 58.000 0.001 0.000 1.149 44 F CB 1.116 40.118 39.000 0.003 0.000 1.190 44 F HN 0.956 nan 8.300 nan 0.000 0.533 45 G N 3.934 112.267 108.800 -0.779 0.000 2.498 45 G HA2 -0.223 3.737 3.960 0.000 0.000 0.245 45 G HA3 -0.223 3.737 3.960 0.000 0.000 0.245 45 G C 0.082 174.822 174.900 -0.266 0.000 1.204 45 G CA -0.362 44.423 45.100 -0.524 0.000 0.933 45 G HN 1.508 nan 8.290 nan 0.000 0.574 46 L N -0.467 120.649 121.223 -0.178 0.000 3.634 46 L HA -0.219 4.121 4.340 0.000 0.000 0.423 46 L C 1.658 178.454 176.870 -0.122 0.000 1.253 46 L CA 0.550 55.312 54.840 -0.130 0.000 0.885 46 L CB -1.528 40.462 42.059 -0.115 0.000 1.789 46 L HN 0.682 nan 8.230 nan 0.000 0.904 47 N N 0.380 118.999 118.700 -0.135 0.000 2.192 47 N HA -0.130 4.610 4.740 0.000 0.000 0.188 47 N C 1.216 176.680 175.510 -0.077 0.000 1.013 47 N CA 1.626 54.607 53.050 -0.114 0.000 0.863 47 N CB -0.157 38.262 38.487 -0.114 0.000 0.990 47 N HN 0.554 nan 8.380 nan 0.000 0.430 48 N N 0.569 119.228 118.700 -0.068 0.000 2.314 48 N HA 0.116 4.856 4.740 0.000 0.000 0.200 48 N C 0.156 175.639 175.510 -0.045 0.000 1.135 48 N CA -0.097 52.923 53.050 -0.050 0.000 0.835 48 N CB 0.529 38.990 38.487 -0.044 0.000 0.989 48 N HN 0.331 nan 8.380 nan 0.000 0.478 49 I N 1.294 121.833 120.570 -0.052 0.000 2.529 49 I HA -0.006 4.164 4.170 0.000 0.000 0.284 49 I C -0.016 176.082 176.117 -0.032 0.000 1.082 49 I CA -0.408 60.864 61.300 -0.047 0.000 1.406 49 I CB 0.679 38.644 38.000 -0.059 0.000 1.405 49 I HN -0.008 nan 8.210 nan 0.000 0.548 50 Q N 5.852 125.639 119.800 -0.023 0.000 2.293 50 Q HA 0.441 4.782 4.340 0.000 0.000 0.251 50 Q C -0.022 175.976 176.000 -0.003 0.000 0.930 50 Q CA -0.730 55.066 55.803 -0.010 0.000 0.893 50 Q CB 1.185 29.920 28.738 -0.005 0.000 1.215 50 Q HN 0.780 nan 8.270 nan 0.000 0.425 51 A N 2.795 125.619 122.820 0.005 0.000 2.548 51 A HA 0.002 4.322 4.320 0.000 0.000 0.247 51 A C 0.213 177.813 177.584 0.026 0.000 1.067 51 A CA 0.343 52.390 52.037 0.017 0.000 0.757 51 A CB -0.197 18.818 19.000 0.025 0.000 0.996 51 A HN 0.986 nan 8.150 nan 0.000 0.504 52 E N -0.478 119.744 120.200 0.037 0.000 3.898 52 E HA -0.170 4.180 4.350 0.000 0.000 0.328 52 E C 0.100 176.728 176.600 0.046 0.000 0.770 52 E CA 1.051 57.485 56.400 0.057 0.000 1.267 52 E CB -1.417 28.319 29.700 0.060 0.000 1.646 52 E HN 0.940 nan 8.360 nan 0.000 0.420 53 E N 1.306 121.518 120.200 0.020 0.000 2.316 53 E HA 0.216 4.566 4.350 0.000 0.000 0.275 53 E C -0.204 176.392 176.600 -0.007 0.000 1.029 53 E CA -0.589 55.815 56.400 0.006 0.000 0.871 53 E CB 0.592 30.284 29.700 -0.014 0.000 1.022 53 E HN -0.013 nan 8.360 nan 0.000 0.418 54 L N 4.741 125.966 121.223 0.004 0.000 2.525 54 L HA -0.015 4.325 4.340 0.000 0.000 0.278 54 L C 0.012 176.831 176.870 -0.086 0.000 1.218 54 L CA 0.614 55.436 54.840 -0.030 0.000 0.878 54 L CB 0.755 42.831 42.059 0.027 0.000 1.127 54 L HN 0.416 nan 8.230 nan 0.000 0.492 55 V N 0.730 120.552 119.914 -0.155 0.000 3.155 55 V HA 0.746 4.866 4.120 0.000 0.000 0.313 55 V C -0.685 175.267 176.094 -0.236 0.000 1.162 55 V CA -0.811 61.356 62.300 -0.222 0.000 1.048 55 V CB 2.041 33.664 31.823 -0.333 0.000 1.092 55 V HN 0.800 nan 8.190 nan 0.000 0.447 56 E N 0.879 120.907 120.200 -0.288 0.000 2.265 56 E HA 0.448 4.798 4.350 0.000 0.000 0.262 56 E C -1.776 174.679 176.600 -0.242 0.000 0.889 56 E CA -0.540 55.757 56.400 -0.172 0.000 0.789 56 E CB 1.658 31.321 29.700 -0.062 0.000 1.221 56 E HN 0.627 nan 8.360 nan 0.000 0.414 57 F N 1.292 121.222 119.950 -0.033 0.000 2.375 57 F HA 0.142 4.669 4.527 0.000 0.000 0.313 57 F C 2.046 177.841 175.800 -0.008 0.000 1.176 57 F CA -0.191 57.797 58.000 -0.020 0.000 1.142 57 F CB 0.824 39.811 39.000 -0.021 0.000 1.275 57 F HN 0.463 nan 8.300 nan 0.000 0.544 58 S N 0.013 115.826 115.700 0.189 0.000 2.365 58 S HA -0.227 4.243 4.470 0.000 0.000 0.225 58 S C 2.050 176.707 174.600 0.094 0.000 1.039 58 S CA 1.697 59.959 58.200 0.103 0.000 1.033 58 S CB -0.714 62.536 63.200 0.083 0.000 0.887 58 S HN 0.725 nan 8.310 nan 0.000 0.447 59 S N 0.561 116.325 115.700 0.107 0.000 2.595 59 S HA 0.256 4.726 4.470 0.000 0.000 0.235 59 S C 1.588 176.229 174.600 0.069 0.000 0.974 59 S CA 0.990 59.231 58.200 0.068 0.000 0.942 59 S CB -0.347 62.878 63.200 0.041 0.000 0.766 59 S HN 0.867 nan 8.310 nan 0.000 0.536 60 G N 0.035 108.892 108.800 0.094 0.000 2.349 60 G HA2 -0.265 3.695 3.960 0.000 0.000 0.213 60 G HA3 -0.265 3.695 3.960 0.000 0.000 0.213 60 G C 0.210 175.179 174.900 0.116 0.000 1.044 60 G CA -0.174 44.978 45.100 0.086 0.000 0.633 60 G HN 0.955 nan 8.290 nan 0.000 0.506 61 V N 2.209 122.196 119.914 0.122 0.000 2.720 61 V HA 0.415 4.535 4.120 0.000 0.000 0.307 61 V C 0.719 176.949 176.094 0.227 0.000 1.071 61 V CA 1.159 63.535 62.300 0.127 0.000 1.199 61 V CB 0.931 32.767 31.823 0.021 0.000 0.900 61 V HN 0.474 nan 8.190 nan 0.000 0.494 62 K N 3.642 124.132 120.400 0.149 0.000 2.185 62 K HA 0.854 5.174 4.320 0.000 0.000 0.240 62 K C -0.057 176.366 176.600 -0.295 0.000 0.983 62 K CA 0.049 56.348 56.287 0.020 0.000 0.873 62 K CB 1.958 34.480 32.500 0.038 0.000 1.118 62 K HN 0.967 nan 8.250 nan 0.000 0.441 63 G N 0.567 109.060 108.800 -0.512 0.000 2.601 63 G HA2 0.468 4.429 3.960 0.000 0.000 0.291 63 G HA3 0.468 4.429 3.960 0.000 0.000 0.291 63 G C -1.630 172.978 174.900 -0.487 0.000 1.456 63 G CA -0.976 43.717 45.100 -0.678 0.000 0.804 63 G HN 0.550 nan 8.290 nan 0.000 0.499 64 M N 0.399 119.823 119.600 -0.293 0.000 2.393 64 M HA 0.820 5.300 4.480 0.000 0.000 0.316 64 M C -0.096 176.213 176.300 0.013 0.000 1.087 64 M CA -0.987 54.275 55.300 -0.063 0.000 0.937 64 M CB 2.528 35.193 32.600 0.108 0.000 1.668 64 M HN 0.893 nan 8.290 nan 0.000 0.438 65 A N 4.565 127.387 122.820 0.004 0.000 2.666 65 A HA 0.400 4.720 4.320 0.000 0.000 0.301 65 A C 0.534 178.140 177.584 0.036 0.000 1.470 65 A CA -0.494 51.550 52.037 0.012 0.000 1.159 65 A CB -0.622 18.370 19.000 -0.013 0.000 1.116 65 A HN 1.058 nan 8.150 nan 0.000 0.548 66 L N 1.048 122.298 121.223 0.046 0.000 2.416 66 L HA 0.096 4.436 4.340 0.000 0.000 0.216 66 L C 0.290 177.177 176.870 0.029 0.000 1.098 66 L CA 0.353 55.223 54.840 0.050 0.000 0.840 66 L CB 0.018 42.104 42.059 0.045 0.000 0.981 66 L HN 0.579 nan 8.230 nan 0.000 0.462 67 N N 0.303 119.014 118.700 0.019 0.000 2.443 67 N HA 0.410 5.150 4.740 0.000 0.000 0.269 67 N C -1.182 174.334 175.510 0.011 0.000 0.985 67 N CA -0.150 52.907 53.050 0.013 0.000 0.921 67 N CB 1.399 39.891 38.487 0.007 0.000 1.195 67 N HN -0.039 nan 8.380 nan 0.000 0.492 68 L N 2.383 123.611 121.223 0.009 0.000 2.262 68 L HA 0.461 4.801 4.340 0.000 0.000 0.288 68 L C 0.134 177.005 176.870 0.002 0.000 1.035 68 L CA -0.386 54.454 54.840 0.001 0.000 0.820 68 L CB 0.866 42.923 42.059 -0.003 0.000 1.204 68 L HN 0.395 nan 8.230 nan 0.000 0.424 69 E N 3.904 124.106 120.200 0.002 0.000 2.320 69 E HA 0.414 4.764 4.350 0.000 0.000 0.264 69 E C -2.438 174.165 176.600 0.005 0.000 0.923 69 E CA -2.185 54.220 56.400 0.008 0.000 0.796 69 E CB 1.454 31.164 29.700 0.016 0.000 1.262 69 E HN 0.299 nan 8.360 nan 0.000 0.428 70 P HA 0.042 nan 4.420 nan 0.000 0.258 70 P C 0.290 177.609 177.300 0.032 0.000 1.214 70 P CA 0.914 64.021 63.100 0.013 0.000 0.872 70 P CB -0.159 31.552 31.700 0.019 0.000 0.890 71 G N 2.551 111.359 108.800 0.013 0.000 2.141 71 G HA2 -0.190 3.770 3.960 0.000 0.000 0.242 71 G HA3 -0.190 3.770 3.960 0.000 0.000 0.242 71 G C -0.205 174.762 174.900 0.112 0.000 0.982 71 G CA 0.114 45.246 45.100 0.054 0.000 0.662 71 G HN 0.664 nan 8.290 nan 0.000 0.527 72 Q N -1.650 118.181 119.800 0.052 0.000 2.527 72 Q HA 0.679 5.019 4.340 0.000 0.000 0.280 72 Q C -1.115 174.900 176.000 0.024 0.000 0.977 72 Q CA -1.249 54.594 55.803 0.066 0.000 0.837 72 Q CB 2.029 30.832 28.738 0.108 0.000 1.454 72 Q HN 0.500 nan 8.270 nan 0.000 0.387 73 V N 0.553 120.481 119.914 0.022 0.000 2.581 73 V HA 0.804 4.924 4.120 0.000 0.000 0.303 73 V C 0.326 176.440 176.094 0.032 0.000 1.041 73 V CA -0.352 61.955 62.300 0.012 0.000 0.907 73 V CB 1.748 33.566 31.823 -0.009 0.000 0.994 73 V HN 0.877 nan 8.190 nan 0.000 0.442 74 G N 4.075 112.891 108.800 0.027 0.000 2.428 74 G HA2 0.658 4.618 3.960 0.000 0.000 0.320 74 G HA3 0.658 4.618 3.960 0.000 0.000 0.320 74 G C -0.733 174.190 174.900 0.038 0.000 1.098 74 G CA -0.278 44.841 45.100 0.032 0.000 0.984 74 G HN 0.585 nan 8.290 nan 0.000 0.444 75 I N 2.535 123.144 120.570 0.065 0.000 2.377 75 I HA 0.287 4.457 4.170 0.000 0.000 0.293 75 I C 0.194 176.357 176.117 0.077 0.000 0.987 75 I CA -1.118 60.231 61.300 0.081 0.000 1.185 75 I CB 2.278 40.367 38.000 0.148 0.000 1.341 75 I HN 0.326 nan 8.210 nan 0.000 0.455 76 V N 5.622 125.574 119.914 0.064 0.000 2.407 76 V HA 0.506 4.626 4.120 0.000 0.000 0.278 76 V C -0.049 176.083 176.094 0.064 0.000 1.037 76 V CA -0.774 61.573 62.300 0.078 0.000 0.900 76 V CB 0.956 32.855 31.823 0.125 0.000 0.983 76 V HN 0.500 nan 8.190 nan 0.000 0.459 77 L N 4.237 125.493 121.223 0.055 0.000 2.417 77 L HA 0.340 4.680 4.340 0.000 0.000 0.268 77 L C 0.870 177.896 176.870 0.260 0.000 1.158 77 L CA -0.306 54.551 54.840 0.028 0.000 0.819 77 L CB 0.400 42.430 42.059 -0.049 0.000 1.112 77 L HN 0.589 nan 8.230 nan 0.000 0.458 78 F N 0.448 120.440 119.950 0.069 0.000 2.754 78 F HA 0.257 4.784 4.527 0.000 0.000 0.297 78 F C 1.232 177.056 175.800 0.040 0.000 1.122 78 F CA -0.423 57.616 58.000 0.065 0.000 1.400 78 F CB -0.375 38.671 39.000 0.077 0.000 1.117 78 F HN 0.465 nan 8.300 nan 0.000 0.587 79 G N -1.162 107.750 108.800 0.187 0.000 3.022 79 G HA2 0.368 4.328 3.960 0.000 0.000 0.284 79 G HA3 0.368 4.328 3.960 0.000 0.000 0.284 79 G C -0.914 174.009 174.900 0.038 0.000 1.375 79 G CA -0.610 44.549 45.100 0.098 0.000 0.902 79 G HN -0.076 nan 8.290 nan 0.000 0.538 80 S N -0.983 114.727 115.700 0.017 0.000 2.562 80 S HA 0.157 4.627 4.470 0.000 0.000 0.281 80 S C 1.033 175.605 174.600 -0.048 0.000 1.333 80 S CA 0.471 58.666 58.200 -0.007 0.000 1.052 80 S CB 0.685 63.883 63.200 -0.003 0.000 0.884 80 S HN 0.600 nan 8.310 nan 0.000 0.506 81 D N 2.993 123.356 120.400 -0.061 0.000 2.328 81 D HA 0.017 4.657 4.640 0.000 0.000 0.226 81 D C 1.495 177.746 176.300 -0.082 0.000 1.066 81 D CA -0.010 53.927 54.000 -0.105 0.000 0.861 81 D CB -0.100 40.638 40.800 -0.103 0.000 0.912 81 D HN 0.600 nan 8.370 nan 0.000 0.521 82 R N 0.420 120.889 120.500 -0.052 0.000 2.152 82 R HA -0.042 4.298 4.340 0.000 0.000 0.232 82 R C 1.544 177.817 176.300 -0.045 0.000 1.117 82 R CA 0.901 56.978 56.100 -0.038 0.000 0.981 82 R CB -0.242 30.045 30.300 -0.022 0.000 0.870 82 R HN 0.273 nan 8.270 nan 0.000 0.451 83 L N 0.289 121.476 121.223 -0.060 0.000 2.217 83 L HA 0.023 4.363 4.340 0.000 0.000 0.211 83 L C 0.286 177.108 176.870 -0.081 0.000 1.107 83 L CA 0.244 55.049 54.840 -0.058 0.000 0.783 83 L CB 0.194 42.221 42.059 -0.054 0.000 0.919 83 L HN -0.050 nan 8.230 nan 0.000 0.442 84 V N 0.377 120.208 119.914 -0.138 0.000 2.427 84 V HA 0.261 4.381 4.120 0.000 0.000 0.286 84 V C -0.001 176.046 176.094 -0.078 0.000 1.034 84 V CA -0.721 61.483 62.300 -0.160 0.000 0.893 84 V CB 1.509 33.115 31.823 -0.362 0.000 0.982 84 V HN 0.117 nan 8.190 nan 0.000 0.452 85 K N 2.274 122.658 120.400 -0.026 0.000 2.295 85 K HA 0.462 4.782 4.320 0.000 0.000 0.239 85 K C -0.213 176.397 176.600 0.017 0.000 0.991 85 K CA -0.847 55.436 56.287 -0.006 0.000 0.845 85 K CB 2.268 34.770 32.500 0.003 0.000 1.197 85 K HN 0.776 nan 8.250 nan 0.000 0.441 86 E N 0.086 120.294 120.200 0.014 0.000 2.437 86 E HA -0.030 4.320 4.350 0.000 0.000 0.263 86 E C 0.536 177.155 176.600 0.032 0.000 1.030 86 E CA 1.224 57.640 56.400 0.026 0.000 0.934 86 E CB 0.263 29.970 29.700 0.012 0.000 0.943 86 E HN 0.756 nan 8.360 nan 0.000 0.444 87 G N 3.278 112.104 108.800 0.044 0.000 2.225 87 G HA2 -0.363 3.597 3.960 0.000 0.000 0.254 87 G HA3 -0.363 3.597 3.960 0.000 0.000 0.254 87 G C 0.230 175.163 174.900 0.055 0.000 0.988 87 G CA 0.522 45.647 45.100 0.040 0.000 0.625 87 G HN 0.709 nan 8.290 nan 0.000 0.527 88 E N 0.447 120.689 120.200 0.071 0.000 2.398 88 E HA 0.428 4.778 4.350 0.000 0.000 0.263 88 E C 0.381 177.040 176.600 0.099 0.000 1.046 88 E CA -0.813 55.639 56.400 0.087 0.000 0.908 88 E CB 0.401 30.166 29.700 0.108 0.000 0.963 88 E HN 0.308 nan 8.360 nan 0.000 0.431 89 L N 4.500 125.768 121.223 0.075 0.000 2.397 89 L HA 0.249 4.589 4.340 0.000 0.000 0.271 89 L C -1.116 175.759 176.870 0.008 0.000 1.148 89 L CA -0.119 54.745 54.840 0.040 0.000 0.825 89 L CB 1.350 43.422 42.059 0.023 0.000 1.117 89 L HN 0.414 nan 8.230 nan 0.000 0.456 90 V N 3.929 123.797 119.914 -0.076 0.000 2.577 90 V HA 0.513 4.633 4.120 0.000 0.000 0.303 90 V C -0.426 175.544 176.094 -0.206 0.000 1.042 90 V CA -1.050 61.096 62.300 -0.256 0.000 0.872 90 V CB 1.531 33.094 31.823 -0.432 0.000 0.998 90 V HN 0.679 nan 8.190 nan 0.000 0.423 91 K N 3.181 123.455 120.400 -0.210 0.000 2.156 91 K HA 0.646 4.966 4.320 0.000 0.000 0.254 91 K C -0.239 176.264 176.600 -0.161 0.000 0.950 91 K CA -0.842 55.359 56.287 -0.143 0.000 0.849 91 K CB 2.116 34.560 32.500 -0.093 0.000 1.100 91 K HN 0.555 nan 8.250 nan 0.000 0.434 92 R N 0.431 120.860 120.500 -0.119 0.000 2.694 92 R HA 0.000 4.340 4.340 0.000 0.000 0.268 92 R C 1.227 177.482 176.300 -0.076 0.000 1.061 92 R CA 0.290 56.330 56.100 -0.100 0.000 1.133 92 R CB 0.468 30.723 30.300 -0.075 0.000 1.020 92 R HN 0.837 nan 8.270 nan 0.000 0.475 93 T N -2.082 112.435 114.554 -0.063 0.000 3.040 93 T HA 0.125 4.475 4.350 0.000 0.000 0.252 93 T C 1.330 176.015 174.700 -0.026 0.000 1.064 93 T CA 0.408 62.485 62.100 -0.037 0.000 1.110 93 T CB 0.353 69.207 68.868 -0.023 0.000 0.921 93 T HN 0.814 nan 8.240 nan 0.000 0.480 94 G N 1.648 110.430 108.800 -0.029 0.000 2.160 94 G HA2 -0.206 3.754 3.960 0.000 0.000 0.251 94 G HA3 -0.206 3.754 3.960 0.000 0.000 0.251 94 G C -0.294 174.601 174.900 -0.009 0.000 1.008 94 G CA -0.040 45.048 45.100 -0.020 0.000 0.724 94 G HN 0.651 nan 8.290 nan 0.000 0.514 95 N N -0.032 118.666 118.700 -0.005 0.000 2.346 95 N HA 0.561 5.301 4.740 0.000 0.000 0.289 95 N C 0.321 175.841 175.510 0.017 0.000 1.027 95 N CA -0.720 52.335 53.050 0.008 0.000 0.864 95 N CB 1.158 39.654 38.487 0.015 0.000 1.370 95 N HN 0.047 nan 8.380 nan 0.000 0.481 96 I N 1.348 121.929 120.570 0.018 0.000 2.823 96 I HA 0.137 4.307 4.170 0.000 0.000 0.290 96 I C 0.653 176.793 176.117 0.039 0.000 1.091 96 I CA -0.523 60.793 61.300 0.026 0.000 1.365 96 I CB 0.454 38.463 38.000 0.015 0.000 1.427 96 I HN 0.167 nan 8.210 nan 0.000 0.583 97 V N 4.870 124.816 119.914 0.054 0.000 2.599 97 V HA 0.063 4.183 4.120 0.000 0.000 0.300 97 V C 0.138 176.252 176.094 0.034 0.000 1.034 97 V CA -0.202 62.138 62.300 0.066 0.000 1.115 97 V CB -0.153 31.714 31.823 0.075 0.000 0.934 97 V HN 0.853 nan 8.190 nan 0.000 0.485 98 D N 3.347 123.769 120.400 0.038 0.000 2.614 98 D HA 0.739 5.379 4.640 0.000 0.000 0.264 98 D C -0.906 175.407 176.300 0.022 0.000 1.092 98 D CA -0.855 53.160 54.000 0.025 0.000 1.071 98 D CB 2.331 43.144 40.800 0.023 0.000 1.443 98 D HN 0.489 nan 8.370 nan 0.000 0.528 99 V N -0.250 119.674 119.914 0.016 0.000 2.852 99 V HA 0.409 4.529 4.120 0.000 0.000 0.300 99 V C -2.899 173.194 176.094 -0.002 0.000 1.205 99 V CA -1.717 60.588 62.300 0.009 0.000 0.940 99 V CB 2.430 34.261 31.823 0.012 0.000 1.047 99 V HN 0.539 nan 8.190 nan 0.000 0.429 100 P HA 0.247 nan 4.420 nan 0.000 0.268 100 P C -0.626 176.635 177.300 -0.065 0.000 1.204 100 P CA 0.421 63.497 63.100 -0.040 0.000 0.768 100 P CB 1.193 32.866 31.700 -0.045 0.000 0.842 101 V N -0.400 119.452 119.914 -0.103 0.000 3.074 101 V HA 1.029 5.149 4.120 0.000 0.000 0.314 101 V C -0.035 175.803 176.094 -0.427 0.000 1.117 101 V CA -0.371 61.822 62.300 -0.179 0.000 1.014 101 V CB 1.501 33.289 31.823 -0.058 0.000 1.057 101 V HN 0.988 nan 8.190 nan 0.000 0.438 102 G N 1.681 110.007 108.800 -0.789 0.000 2.339 102 G HA2 0.262 4.222 3.960 0.000 0.000 0.381 102 G HA3 0.262 4.222 3.960 0.000 0.000 0.381 102 G C -2.718 171.524 174.900 -1.098 0.000 1.400 102 G CA 0.015 44.278 45.100 -1.396 0.000 1.002 102 G HN 0.675 nan 8.290 nan 0.000 0.633 103 P HA 0.037 nan 4.420 nan 0.000 0.230 103 P C 1.811 178.952 177.300 -0.265 0.000 1.158 103 P CA 1.420 64.195 63.100 -0.543 0.000 0.769 103 P CB -0.068 31.361 31.700 -0.452 0.000 0.807 104 G N 0.485 109.111 108.800 -0.291 0.000 2.498 104 G HA2 -0.183 3.777 3.960 0.000 0.000 0.219 104 G HA3 -0.183 3.777 3.960 0.000 0.000 0.219 104 G C 1.448 176.284 174.900 -0.107 0.000 1.119 104 G CA 0.233 45.236 45.100 -0.163 0.000 0.766 104 G HN 0.266 nan 8.290 nan 0.000 0.552 105 L N -0.045 121.110 121.223 -0.114 0.000 2.395 105 L HA 0.232 4.572 4.340 0.000 0.000 0.218 105 L C 0.889 177.764 176.870 0.008 0.000 1.130 105 L CA -0.325 54.488 54.840 -0.046 0.000 0.826 105 L CB -0.202 41.834 42.059 -0.038 0.000 0.941 105 L HN 0.091 nan 8.230 nan 0.000 0.451 106 L N 0.404 121.641 121.223 0.025 0.000 2.499 106 L HA 0.100 4.440 4.340 0.000 0.000 0.273 106 L C 1.439 178.325 176.870 0.028 0.000 1.195 106 L CA 0.818 55.692 54.840 0.057 0.000 0.882 106 L CB 0.073 42.180 42.059 0.080 0.000 1.133 106 L HN 0.323 nan 8.230 nan 0.000 0.483 107 G N 1.642 110.453 108.800 0.019 0.000 2.199 107 G HA2 -0.215 3.745 3.960 0.000 0.000 0.254 107 G HA3 -0.215 3.745 3.960 0.000 0.000 0.254 107 G C 0.336 175.230 174.900 -0.009 0.000 0.982 107 G CA -0.391 44.705 45.100 -0.007 0.000 0.632 107 G HN 0.446 nan 8.290 nan 0.000 0.529 108 R N -0.194 120.306 120.500 0.001 0.000 2.598 108 R HA 0.697 5.037 4.340 0.000 0.000 0.279 108 R C -0.293 176.012 176.300 0.008 0.000 0.984 108 R CA -0.752 55.348 56.100 -0.001 0.000 0.999 108 R CB 1.734 32.030 30.300 -0.006 0.000 1.114 108 R HN 0.221 nan 8.270 nan 0.000 0.493 109 V N 3.071 122.989 119.914 0.007 0.000 2.378 109 V HA 0.390 4.510 4.120 0.000 0.000 0.288 109 V C 0.082 176.185 176.094 0.015 0.000 1.016 109 V CA -0.774 61.535 62.300 0.016 0.000 0.840 109 V CB 1.535 33.366 31.823 0.013 0.000 0.994 109 V HN 0.583 nan 8.190 nan 0.000 0.431 110 V N 1.336 121.262 119.914 0.020 0.000 2.960 110 V HA 0.821 4.941 4.120 0.000 0.000 0.315 110 V C -0.264 175.836 176.094 0.010 0.000 1.087 110 V CA -0.873 61.434 62.300 0.011 0.000 0.982 110 V CB 2.059 33.886 31.823 0.007 0.000 1.039 110 V HN 0.786 nan 8.190 nan 0.000 0.437 111 D N 2.340 122.739 120.400 -0.000 0.000 2.440 111 D HA 0.466 5.106 4.640 0.000 0.000 0.269 111 D C 1.145 177.428 176.300 -0.027 0.000 1.249 111 D CA 0.108 54.100 54.000 -0.012 0.000 1.055 111 D CB 0.932 41.721 40.800 -0.018 0.000 1.104 111 D HN 0.811 nan 8.370 nan 0.000 0.561 112 A N -0.894 121.892 122.820 -0.057 0.000 2.119 112 A HA 0.043 4.363 4.320 0.000 0.000 0.217 112 A C 2.008 179.542 177.584 -0.084 0.000 1.153 112 A CA 0.624 52.615 52.037 -0.077 0.000 0.692 112 A CB -0.675 18.253 19.000 -0.120 0.000 0.799 112 A HN 0.513 nan 8.150 nan 0.000 0.458 113 L N -1.429 119.746 121.223 -0.081 0.000 2.667 113 L HA 0.300 4.640 4.340 0.000 0.000 0.232 113 L C 1.370 178.230 176.870 -0.017 0.000 1.138 113 L CA 0.395 55.205 54.840 -0.050 0.000 0.921 113 L CB -0.065 41.969 42.059 -0.042 0.000 1.180 113 L HN 0.485 nan 8.230 nan 0.000 0.487 114 G N 0.390 109.180 108.800 -0.017 0.000 2.137 114 G HA2 -0.242 3.718 3.960 0.000 0.000 0.237 114 G HA3 -0.242 3.718 3.960 0.000 0.000 0.237 114 G C -0.059 174.837 174.900 -0.007 0.000 1.002 114 G CA -0.320 44.775 45.100 -0.009 0.000 0.702 114 G HN 0.397 nan 8.290 nan 0.000 0.515 115 N N 1.657 120.354 118.700 -0.005 0.000 2.514 115 N HA 0.376 5.116 4.740 0.000 0.000 0.277 115 N C -2.454 173.056 175.510 -0.000 0.000 1.126 115 N CA -1.197 51.854 53.050 0.000 0.000 0.978 115 N CB 1.391 39.882 38.487 0.007 0.000 1.106 115 N HN 0.169 nan 8.380 nan 0.000 0.461 116 P HA 0.086 nan 4.420 nan 0.000 0.270 116 P C 0.664 177.965 177.300 0.003 0.000 1.242 116 P CA 0.016 63.115 63.100 -0.000 0.000 0.768 116 P CB 0.247 31.945 31.700 -0.003 0.000 0.820 117 I N 0.560 121.133 120.570 0.005 0.000 3.956 117 I HA 0.110 4.280 4.170 0.000 0.000 0.333 117 I C 0.779 176.899 176.117 0.005 0.000 1.302 117 I CA 0.045 61.349 61.300 0.007 0.000 1.122 117 I CB -0.311 37.695 38.000 0.010 0.000 1.013 117 I HN 0.058 nan 8.210 nan 0.000 0.405 118 D N 1.558 121.960 120.400 0.003 0.000 2.340 118 D HA 0.045 4.685 4.640 0.000 0.000 0.220 118 D C 1.547 177.846 176.300 -0.002 0.000 1.039 118 D CA 0.346 54.346 54.000 -0.000 0.000 0.866 118 D CB -0.475 40.323 40.800 -0.003 0.000 0.913 118 D HN 0.356 nan 8.370 nan 0.000 0.523 119 G N 1.236 110.036 108.800 -0.000 0.000 2.396 119 G HA2 -0.351 3.609 3.960 0.000 0.000 0.288 119 G HA3 -0.351 3.609 3.960 0.000 0.000 0.288 119 G C 0.358 175.256 174.900 -0.004 0.000 0.926 119 G CA 0.381 45.480 45.100 -0.001 0.000 1.211 119 G HN 0.456 nan 8.290 nan 0.000 0.496 120 K N 0.272 120.669 120.400 -0.005 0.000 2.699 120 K HA 0.473 4.793 4.320 0.000 0.000 0.210 120 K C 1.234 177.829 176.600 -0.008 0.000 1.076 120 K CA 0.186 56.469 56.287 -0.007 0.000 1.109 120 K CB 0.339 32.833 32.500 -0.009 0.000 0.862 120 K HN 1.398 nan 8.250 nan 0.000 0.470 121 G N 1.933 110.729 108.800 -0.007 0.000 2.685 121 G HA2 -0.191 3.769 3.960 0.000 0.000 0.387 121 G HA3 -0.191 3.769 3.960 0.000 0.000 0.387 121 G C -2.889 172.006 174.900 -0.009 0.000 1.324 121 G CA -1.231 43.864 45.100 -0.008 0.000 0.878 121 G HN 0.070 nan 8.290 nan 0.000 0.527 122 P HA 0.618 nan 4.420 nan 0.000 0.277 122 P C 0.031 177.318 177.300 -0.021 0.000 1.271 122 P CA -0.728 62.364 63.100 -0.013 0.000 0.795 122 P CB 0.497 32.190 31.700 -0.012 0.000 1.101 123 I N 0.767 121.320 120.570 -0.027 0.000 2.359 123 I HA 0.166 4.336 4.170 0.000 0.000 0.294 123 I C -0.009 176.076 176.117 -0.053 0.000 0.987 123 I CA -0.522 60.754 61.300 -0.041 0.000 1.225 123 I CB 0.750 38.723 38.000 -0.045 0.000 1.366 123 I HN 0.189 nan 8.210 nan 0.000 0.466 124 D N 5.431 125.791 120.400 -0.067 0.000 2.346 124 D HA 0.263 4.903 4.640 0.000 0.000 0.267 124 D C 0.352 176.579 176.300 -0.121 0.000 1.320 124 D CA 0.244 54.194 54.000 -0.084 0.000 0.951 124 D CB 0.666 41.411 40.800 -0.091 0.000 1.079 124 D HN 0.568 nan 8.370 nan 0.000 0.509 125 A N 2.167 124.925 122.820 -0.103 0.000 2.320 125 A HA 0.532 4.852 4.320 0.000 0.000 0.287 125 A C 1.151 178.656 177.584 -0.132 0.000 1.181 125 A CA -0.310 51.652 52.037 -0.124 0.000 0.831 125 A CB 1.005 19.958 19.000 -0.079 0.000 1.102 125 A HN 0.530 nan 8.150 nan 0.000 0.513 126 A N 2.440 125.138 122.820 -0.204 0.000 2.081 126 A HA 0.519 4.839 4.320 0.000 0.000 0.214 126 A C 1.153 178.709 177.584 -0.046 0.000 1.158 126 A CA 1.380 53.329 52.037 -0.147 0.000 0.724 126 A CB -0.177 18.665 19.000 -0.263 0.000 0.826 126 A HN 1.753 nan 8.150 nan 0.000 0.463 127 G N -1.326 107.441 108.800 -0.055 0.000 2.634 127 G HA2 0.563 4.523 3.960 0.000 0.000 0.309 127 G HA3 0.563 4.523 3.960 0.000 0.000 0.309 127 G C -1.381 173.512 174.900 -0.013 0.000 1.299 127 G CA -0.908 44.192 45.100 0.001 0.000 0.798 127 G HN 0.169 nan 8.290 nan 0.000 0.490 128 R N -0.270 120.235 120.500 0.009 0.000 2.575 128 R HA 0.674 5.015 4.340 0.000 0.000 0.293 128 R C -1.129 175.185 176.300 0.023 0.000 0.983 128 R CA -0.560 55.544 56.100 0.007 0.000 0.887 128 R CB 2.285 32.588 30.300 0.005 0.000 1.184 128 R HN 0.417 nan 8.270 nan 0.000 0.445 129 S N 1.799 117.515 115.700 0.026 0.000 2.503 129 S HA 0.424 4.894 4.470 0.000 0.000 0.301 129 S C -0.269 174.349 174.600 0.029 0.000 1.087 129 S CA -0.818 57.404 58.200 0.036 0.000 1.042 129 S CB 1.539 64.770 63.200 0.053 0.000 1.043 129 S HN 0.355 nan 8.310 nan 0.000 0.489 130 R N 1.223 121.738 120.500 0.025 0.000 2.590 130 R HA 0.164 4.504 4.340 0.000 0.000 0.274 130 R C 1.371 177.682 176.300 0.019 0.000 1.061 130 R CA 0.045 56.155 56.100 0.017 0.000 1.081 130 R CB 0.285 30.590 30.300 0.009 0.000 0.984 130 R HN 0.805 nan 8.270 nan 0.000 0.448 131 A N 3.492 126.316 122.820 0.006 0.000 1.940 131 A HA -0.148 4.172 4.320 0.000 0.000 0.219 131 A C 0.565 178.137 177.584 -0.020 0.000 1.176 131 A CA 1.340 53.382 52.037 0.008 0.000 0.631 131 A CB 0.070 19.049 19.000 -0.035 0.000 0.814 131 A HN 0.576 nan 8.150 nan 0.000 0.446 132 Q N 0.090 119.839 119.800 -0.086 0.000 2.347 132 Q HA 0.536 4.876 4.340 0.000 0.000 0.262 132 Q C -1.428 174.549 176.000 -0.037 0.000 0.980 132 Q CA -0.130 55.597 55.803 -0.127 0.000 0.867 132 Q CB 1.723 30.335 28.738 -0.210 0.000 1.242 132 Q HN 0.159 nan 8.270 nan 0.000 0.453 133 V N 2.561 122.477 119.914 0.003 0.000 2.709 133 V HA 0.283 4.403 4.120 0.000 0.000 0.308 133 V C 0.176 176.289 176.094 0.033 0.000 1.062 133 V CA -1.159 61.154 62.300 0.023 0.000 0.901 133 V CB 2.256 34.103 31.823 0.040 0.000 1.003 133 V HN 0.581 nan 8.190 nan 0.000 0.425 134 K N 2.455 122.873 120.400 0.030 0.000 2.550 134 K HA 0.199 4.519 4.320 0.000 0.000 0.280 134 K C 0.392 177.018 176.600 0.044 0.000 0.987 134 K CA 0.294 56.604 56.287 0.039 0.000 1.048 134 K CB 0.746 33.266 32.500 0.034 0.000 0.879 134 K HN 0.904 nan 8.250 nan 0.000 0.491 135 A N 5.358 128.210 122.820 0.052 0.000 2.304 135 A HA 0.382 4.702 4.320 0.000 0.000 0.271 135 A C -2.116 175.492 177.584 0.041 0.000 1.091 135 A CA -1.339 50.728 52.037 0.051 0.000 0.812 135 A CB -0.120 18.915 19.000 0.058 0.000 1.056 135 A HN 0.415 nan 8.150 nan 0.000 0.489 136 P HA 0.239 nan 4.420 nan 0.000 0.267 136 P C 0.581 177.900 177.300 0.030 0.000 1.209 136 P CA 0.517 63.634 63.100 0.028 0.000 0.763 136 P CB 0.602 32.317 31.700 0.024 0.000 0.816 137 G N 2.554 111.370 108.800 0.027 0.000 2.570 137 G HA2 0.061 4.021 3.960 0.000 0.000 0.276 137 G HA3 0.061 4.021 3.960 0.000 0.000 0.276 137 G C 1.159 176.074 174.900 0.026 0.000 1.346 137 G CA -0.556 44.561 45.100 0.028 0.000 1.034 137 G HN 0.327 nan 8.290 nan 0.000 0.512 138 I N -0.682 119.903 120.570 0.025 0.000 2.113 138 I HA -0.190 3.980 4.170 0.000 0.000 0.242 138 I C 2.755 178.882 176.117 0.017 0.000 1.057 138 I CA 1.294 62.607 61.300 0.022 0.000 1.314 138 I CB -1.051 36.961 38.000 0.019 0.000 1.022 138 I HN 0.308 nan 8.210 nan 0.000 0.408 139 L N 1.122 122.353 121.223 0.014 0.000 2.007 139 L HA -0.039 4.301 4.340 0.000 0.000 0.205 139 L C -0.846 176.030 176.870 0.009 0.000 1.073 139 L CA 1.669 56.516 54.840 0.010 0.000 0.744 139 L CB -1.653 40.411 42.059 0.008 0.000 0.898 139 L HN 0.157 nan 8.230 nan 0.000 0.435 140 P HA 0.035 nan 4.420 nan 0.000 0.246 140 P C -0.693 176.615 177.300 0.012 0.000 1.686 140 P CA 0.350 63.455 63.100 0.007 0.000 0.867 140 P CB -0.235 31.467 31.700 0.004 0.000 1.733 141 R N -0.000 120.509 120.500 0.016 0.000 2.832 141 R HA 0.639 4.979 4.340 0.000 0.000 0.271 141 R C 0.060 176.374 176.300 0.023 0.000 0.996 141 R CA -0.890 55.225 56.100 0.024 0.000 0.977 141 R CB 2.364 32.680 30.300 0.027 0.000 1.168 141 R HN 0.013 nan 8.270 nan 0.000 0.482 142 R N 0.177 120.699 120.500 0.038 0.000 2.740 142 R HA 0.340 4.680 4.340 0.000 0.000 0.282 142 R C -0.744 175.591 176.300 0.059 0.000 0.969 142 R CA -0.516 55.605 56.100 0.035 0.000 0.918 142 R CB 1.861 32.181 30.300 0.035 0.000 1.175 142 R HN 0.626 nan 8.270 nan 0.000 0.464 143 S N 1.454 117.178 115.700 0.040 0.000 2.563 143 S HA -0.010 4.460 4.470 0.000 0.000 0.294 143 S C 0.020 174.700 174.600 0.133 0.000 1.279 143 S CA -0.394 57.841 58.200 0.057 0.000 1.069 143 S CB 0.644 63.860 63.200 0.026 0.000 0.828 143 S HN 0.362 nan 8.310 nan 0.000 0.497 144 V N 5.634 125.608 119.914 0.100 0.000 2.584 144 V HA -0.007 4.113 4.120 0.000 0.000 0.303 144 V C 1.414 177.581 176.094 0.121 0.000 1.035 144 V CA 0.825 63.177 62.300 0.086 0.000 1.172 144 V CB -0.338 31.501 31.823 0.027 0.000 0.896 144 V HN 1.095 nan 8.190 nan 0.000 0.486 145 H N 2.071 121.122 119.070 -0.032 0.000 3.726 145 H HA 0.351 4.907 4.556 0.000 0.000 0.262 145 H C 0.005 175.295 175.328 -0.063 0.000 1.181 145 H CA -0.425 55.599 56.048 -0.040 0.000 1.143 145 H CB 0.676 30.419 29.762 -0.031 0.000 1.627 145 H HN 0.607 nan 8.280 nan 0.000 0.750 146 E N 3.018 122.939 120.200 -0.464 0.000 2.187 146 E HA 0.411 4.761 4.350 0.000 0.000 0.268 146 E C -2.862 173.566 176.600 -0.287 0.000 0.896 146 E CA -2.154 53.992 56.400 -0.423 0.000 0.766 146 E CB 2.442 31.803 29.700 -0.565 0.000 1.142 146 E HN 0.146 nan 8.360 nan 0.000 0.408 147 P HA 0.030 nan 4.420 nan 0.000 0.275 147 P C -0.781 176.357 177.300 -0.270 0.000 1.227 147 P CA -0.359 62.614 63.100 -0.212 0.000 0.781 147 P CB 0.628 32.221 31.700 -0.178 0.000 0.906 148 V N 4.280 124.073 119.914 -0.201 0.000 2.288 148 V HA 0.132 4.252 4.120 0.000 0.000 0.266 148 V C 0.488 176.497 176.094 -0.142 0.000 1.048 148 V CA -0.162 62.019 62.300 -0.199 0.000 0.842 148 V CB -0.092 31.652 31.823 -0.132 0.000 1.064 148 V HN 0.489 nan 8.190 nan 0.000 0.472 149 Q N 2.429 122.123 119.800 -0.176 0.000 2.325 149 Q HA 0.080 4.420 4.340 0.000 0.000 0.256 149 Q C 1.582 177.614 176.000 0.053 0.000 1.142 149 Q CA 0.214 56.001 55.803 -0.026 0.000 0.902 149 Q CB 0.854 29.640 28.738 0.080 0.000 1.350 149 Q HN 0.956 nan 8.270 nan 0.000 0.449 150 T N -0.908 113.665 114.554 0.032 0.000 2.821 150 T HA -0.037 4.313 4.350 0.000 0.000 0.267 150 T C 1.473 176.211 174.700 0.064 0.000 1.046 150 T CA 0.795 62.919 62.100 0.039 0.000 1.139 150 T CB -0.090 68.787 68.868 0.015 0.000 0.871 150 T HN 0.831 nan 8.240 nan 0.000 0.454 151 G N 1.036 109.877 108.800 0.068 0.000 2.194 151 G HA2 -0.178 3.782 3.960 0.000 0.000 0.236 151 G HA3 -0.178 3.782 3.960 0.000 0.000 0.236 151 G C -0.036 174.880 174.900 0.027 0.000 0.987 151 G CA 0.005 45.138 45.100 0.055 0.000 0.635 151 G HN 0.640 nan 8.290 nan 0.000 0.520 152 L N 0.914 122.149 121.223 0.020 0.000 2.281 152 L HA 0.382 4.722 4.340 0.000 0.000 0.285 152 L C 1.795 178.674 176.870 0.014 0.000 1.074 152 L CA -0.632 54.212 54.840 0.007 0.000 0.817 152 L CB 1.136 43.193 42.059 -0.002 0.000 1.168 152 L HN 0.060 nan 8.230 nan 0.000 0.434 153 K N 2.419 122.827 120.400 0.015 0.000 2.074 153 K HA -0.231 4.089 4.320 0.000 0.000 0.209 153 K C 1.951 178.567 176.600 0.025 0.000 1.048 153 K CA 1.857 58.159 56.287 0.025 0.000 0.926 153 K CB -0.059 32.458 32.500 0.030 0.000 0.713 153 K HN 0.829 nan 8.250 nan 0.000 0.444 154 A N 0.703 123.534 122.820 0.018 0.000 1.872 154 A HA -0.085 4.235 4.320 0.000 0.000 0.214 154 A C 2.364 179.960 177.584 0.021 0.000 1.187 154 A CA 1.198 53.248 52.037 0.021 0.000 0.614 154 A CB -0.575 18.435 19.000 0.016 0.000 0.826 154 A HN 0.062 nan 8.150 nan 0.000 0.442 155 V N 0.894 120.817 119.914 0.015 0.000 2.287 155 V HA -0.248 3.872 4.120 0.000 0.000 0.248 155 V C 1.969 178.070 176.094 0.012 0.000 1.053 155 V CA 2.371 64.679 62.300 0.013 0.000 1.027 155 V CB -0.808 31.020 31.823 0.007 0.000 0.646 155 V HN 0.480 nan 8.190 nan 0.000 0.447 156 D N -0.207 120.202 120.400 0.014 0.000 2.317 156 D HA 0.043 4.683 4.640 0.000 0.000 0.211 156 D C 1.917 178.226 176.300 0.017 0.000 0.966 156 D CA 1.276 55.284 54.000 0.013 0.000 0.876 156 D CB 0.108 40.920 40.800 0.020 0.000 0.927 156 D HN 0.481 nan 8.370 nan 0.000 0.519 157 A N -0.598 122.236 122.820 0.023 0.000 2.063 157 A HA 0.197 4.517 4.320 0.000 0.000 0.211 157 A C 1.887 179.484 177.584 0.022 0.000 1.177 157 A CA 0.310 52.363 52.037 0.027 0.000 0.759 157 A CB 0.168 19.191 19.000 0.038 0.000 0.857 157 A HN 0.183 nan 8.150 nan 0.000 0.468 158 L N -1.578 119.658 121.223 0.022 0.000 2.766 158 L HA 0.228 4.568 4.340 0.000 0.000 0.241 158 L C -0.340 176.541 176.870 0.018 0.000 1.080 158 L CA 0.200 55.053 54.840 0.022 0.000 0.909 158 L CB 1.167 43.245 42.059 0.032 0.000 1.277 158 L HN 0.008 nan 8.230 nan 0.000 0.510 159 V N 0.888 120.812 119.914 0.016 0.000 2.464 159 V HA 0.304 4.424 4.120 0.000 0.000 0.255 159 V C -2.576 173.521 176.094 0.005 0.000 0.946 159 V CA -1.169 61.139 62.300 0.014 0.000 0.988 159 V CB 0.341 32.176 31.823 0.021 0.000 1.210 159 V HN -0.049 nan 8.190 nan 0.000 0.523 160 P HA 0.413 nan 4.420 nan 0.000 0.275 160 P C -0.473 176.816 177.300 -0.019 0.000 1.227 160 P CA 0.014 63.107 63.100 -0.011 0.000 0.781 160 P CB 1.815 33.506 31.700 -0.014 0.000 0.906 161 I N 1.843 122.395 120.570 -0.031 0.000 2.378 161 I HA 0.435 4.605 4.170 0.000 0.000 0.291 161 I C 1.097 177.177 176.117 -0.062 0.000 0.992 161 I CA -0.416 60.861 61.300 -0.037 0.000 1.154 161 I CB 1.802 39.782 38.000 -0.034 0.000 1.315 161 I HN 0.360 nan 8.210 nan 0.000 0.448 162 G N 4.821 113.586 108.800 -0.058 0.000 2.521 162 G HA2 0.552 4.512 3.960 0.000 0.000 0.323 162 G HA3 0.552 4.512 3.960 0.000 0.000 0.323 162 G C -0.544 174.302 174.900 -0.090 0.000 1.211 162 G CA -0.777 44.272 45.100 -0.085 0.000 0.979 162 G HN 0.513 nan 8.290 nan 0.000 0.490 163 R N -0.512 119.914 120.500 -0.124 0.000 2.216 163 R HA 0.461 4.801 4.340 0.000 0.000 0.332 163 R C 1.063 177.345 176.300 -0.031 0.000 1.056 163 R CA 1.274 57.317 56.100 -0.096 0.000 0.901 163 R CB 0.845 31.050 30.300 -0.158 0.000 1.039 163 R HN 1.032 nan 8.270 nan 0.000 0.456 164 G N 1.973 110.772 108.800 -0.001 0.000 2.218 164 G HA2 -0.296 3.664 3.960 0.000 0.000 0.216 164 G HA3 -0.296 3.664 3.960 0.000 0.000 0.216 164 G C 0.153 175.061 174.900 0.013 0.000 0.994 164 G CA -0.136 44.976 45.100 0.020 0.000 0.637 164 G HN 0.565 nan 8.290 nan 0.000 0.505 165 Q N 0.506 120.304 119.800 -0.002 0.000 2.392 165 Q HA 0.546 4.886 4.340 0.000 0.000 0.262 165 Q C 0.039 176.040 176.000 0.002 0.000 1.003 165 Q CA -0.089 55.713 55.803 -0.001 0.000 0.888 165 Q CB 0.285 29.015 28.738 -0.012 0.000 1.260 165 Q HN 0.418 nan 8.270 nan 0.000 0.435 166 R N 2.696 123.200 120.500 0.006 0.000 2.332 166 R HA 0.224 4.564 4.340 0.000 0.000 0.306 166 R C -1.295 175.005 176.300 -0.000 0.000 1.117 166 R CA -0.434 55.670 56.100 0.007 0.000 1.108 166 R CB 1.088 31.393 30.300 0.009 0.000 1.126 166 R HN 0.459 nan 8.270 nan 0.000 0.548 167 E N 2.643 122.842 120.200 -0.002 0.000 2.151 167 E HA 0.277 4.627 4.350 0.000 0.000 0.275 167 E C -1.394 175.206 176.600 -0.001 0.000 0.936 167 E CA -0.897 55.502 56.400 -0.001 0.000 0.777 167 E CB 1.046 30.745 29.700 -0.002 0.000 1.108 167 E HN 0.337 nan 8.360 nan 0.000 0.401 168 L N 5.545 126.769 121.223 0.002 0.000 2.289 168 L HA 0.539 4.879 4.340 0.000 0.000 0.285 168 L C -1.106 175.773 176.870 0.015 0.000 1.049 168 L CA -0.255 54.584 54.840 -0.001 0.000 0.804 168 L CB 0.846 42.899 42.059 -0.011 0.000 1.195 168 L HN 0.631 nan 8.230 nan 0.000 0.428 169 I N 6.712 127.286 120.570 0.006 0.000 2.315 169 I HA 0.417 4.587 4.170 0.000 0.000 0.291 169 I C -0.279 175.841 176.117 0.005 0.000 1.006 169 I CA -0.104 61.201 61.300 0.008 0.000 1.265 169 I CB 1.180 39.179 38.000 -0.001 0.000 1.387 169 I HN 0.601 nan 8.210 nan 0.000 0.475 170 I N 5.123 125.703 120.570 0.016 0.000 2.722 170 I HA 0.879 5.049 4.170 0.000 0.000 0.295 170 I C -0.380 175.678 176.117 -0.098 0.000 1.161 170 I CA 0.005 61.323 61.300 0.030 0.000 1.032 170 I CB 2.105 40.188 38.000 0.138 0.000 1.244 170 I HN 0.717 nan 8.210 nan 0.000 0.421 171 G N 4.740 113.465 108.800 -0.126 0.000 2.321 171 G HA2 0.139 4.099 3.960 0.000 0.000 0.298 171 G HA3 0.139 4.099 3.960 0.000 0.000 0.298 171 G C -1.885 172.929 174.900 -0.144 0.000 1.385 171 G CA -0.867 44.040 45.100 -0.323 0.000 0.856 171 G HN 0.523 nan 8.290 nan 0.000 0.584 172 D N 0.395 120.710 120.400 -0.141 0.000 2.346 172 D HA 0.279 4.919 4.640 0.000 0.000 0.236 172 D C 1.416 177.679 176.300 -0.060 0.000 1.259 172 D CA 0.171 54.137 54.000 -0.057 0.000 0.898 172 D CB 0.392 41.170 40.800 -0.036 0.000 1.178 172 D HN 0.703 nan 8.370 nan 0.000 0.457 173 R N 0.678 121.162 120.500 -0.028 0.000 2.697 173 R HA -0.036 4.304 4.340 0.000 0.000 0.265 173 R C -0.084 176.183 176.300 -0.055 0.000 1.009 173 R CA -0.099 55.984 56.100 -0.028 0.000 1.099 173 R CB -0.095 30.200 30.300 -0.007 0.000 0.965 173 R HN 0.322 nan 8.270 nan 0.000 0.428 174 Q N -0.092 119.670 119.800 -0.062 0.000 2.463 174 Q HA -0.166 4.174 4.340 0.000 0.000 0.299 174 Q C -0.179 175.714 176.000 -0.178 0.000 1.353 174 Q CA 1.444 57.184 55.803 -0.105 0.000 0.828 174 Q CB -2.150 26.527 28.738 -0.101 0.000 1.157 174 Q HN 1.019 nan 8.270 nan 0.000 0.436 175 T N -4.790 109.685 114.554 -0.132 0.000 3.043 175 T HA 0.473 4.823 4.350 0.000 0.000 0.272 175 T C 1.104 175.804 174.700 -0.001 0.000 0.990 175 T CA 0.588 62.613 62.100 -0.125 0.000 0.897 175 T CB 1.210 69.987 68.868 -0.152 0.000 1.111 175 T HN 1.015 nan 8.240 nan 0.000 0.529 176 G N 1.889 110.690 108.800 0.001 0.000 2.135 176 G HA2 -0.228 3.732 3.960 0.000 0.000 0.183 176 G HA3 -0.228 3.732 3.960 0.000 0.000 0.183 176 G C 0.683 175.584 174.900 0.002 0.000 1.004 176 G CA 0.202 45.331 45.100 0.049 0.000 0.677 176 G HN 0.480 nan 8.290 nan 0.000 0.512 177 K N -0.376 120.014 120.400 -0.016 0.000 2.002 177 K HA -0.060 4.261 4.320 0.000 0.000 0.209 177 K C 2.575 179.182 176.600 0.012 0.000 1.048 177 K CA 1.917 58.195 56.287 -0.014 0.000 0.930 177 K CB -0.324 32.164 32.500 -0.020 0.000 0.714 177 K HN 0.304 nan 8.250 nan 0.000 0.438 178 T N 1.274 115.846 114.554 0.030 0.000 2.833 178 T HA -0.134 4.216 4.350 0.000 0.000 0.269 178 T C 1.941 176.662 174.700 0.035 0.000 1.054 178 T CA 1.168 63.308 62.100 0.067 0.000 1.135 178 T CB -0.287 68.634 68.868 0.089 0.000 0.869 178 T HN 0.335 nan 8.240 nan 0.000 0.466 179 A N 1.330 124.148 122.820 -0.004 0.000 1.859 179 A HA -0.134 4.186 4.320 0.000 0.000 0.217 179 A C 2.586 180.140 177.584 -0.051 0.000 1.198 179 A CA 1.873 53.876 52.037 -0.056 0.000 0.629 179 A CB -1.270 17.689 19.000 -0.068 0.000 0.830 179 A HN 0.348 nan 8.150 nan 0.000 0.446 180 V N -0.220 119.677 119.914 -0.028 0.000 2.324 180 V HA -0.299 3.821 4.120 0.000 0.000 0.250 180 V C 3.026 179.119 176.094 -0.001 0.000 1.060 180 V CA 2.185 64.473 62.300 -0.019 0.000 1.042 180 V CB -1.326 30.490 31.823 -0.012 0.000 0.650 180 V HN 0.680 nan 8.190 nan 0.000 0.450 181 A N -0.407 122.425 122.820 0.021 0.000 1.855 181 A HA -0.180 4.140 4.320 0.000 0.000 0.215 181 A C 2.160 179.772 177.584 0.047 0.000 1.191 181 A CA 2.031 54.098 52.037 0.051 0.000 0.613 181 A CB -0.656 18.409 19.000 0.108 0.000 0.829 181 A HN 0.422 nan 8.150 nan 0.000 0.442 182 L N 0.344 121.582 121.223 0.025 0.000 2.012 182 L HA -0.215 4.125 4.340 0.000 0.000 0.210 182 L C 1.834 178.702 176.870 -0.004 0.000 1.073 182 L CA 2.715 57.550 54.840 -0.009 0.000 0.748 182 L CB -0.793 41.251 42.059 -0.025 0.000 0.891 182 L HN 0.450 nan 8.230 nan 0.000 0.431 183 D N -1.408 118.979 120.400 -0.023 0.000 2.116 183 D HA -0.204 4.436 4.640 0.000 0.000 0.193 183 D C 2.075 178.386 176.300 0.019 0.000 0.998 183 D CA 1.979 55.968 54.000 -0.019 0.000 0.836 183 D CB -0.335 40.436 40.800 -0.049 0.000 0.951 183 D HN 0.348 nan 8.370 nan 0.000 0.449 184 T N 0.460 115.029 114.554 0.025 0.000 2.653 184 T HA -0.193 4.157 4.350 0.000 0.000 0.268 184 T C 2.075 176.819 174.700 0.073 0.000 1.035 184 T CA 0.883 63.010 62.100 0.043 0.000 1.154 184 T CB -0.397 68.488 68.868 0.027 0.000 0.862 184 T HN 0.165 nan 8.240 nan 0.000 0.441 185 I N 0.566 121.183 120.570 0.079 0.000 2.163 185 I HA -0.155 4.015 4.170 0.000 0.000 0.243 185 I C 2.322 178.560 176.117 0.202 0.000 1.085 185 I CA 1.249 62.630 61.300 0.135 0.000 1.347 185 I CB -0.374 37.685 38.000 0.098 0.000 1.044 185 I HN 0.218 nan 8.210 nan 0.000 0.408 186 L N 0.286 121.577 121.223 0.114 0.000 2.079 186 L HA -0.249 4.091 4.340 0.000 0.000 0.210 186 L C 2.265 179.226 176.870 0.152 0.000 1.081 186 L CA 1.352 56.262 54.840 0.117 0.000 0.752 186 L CB -0.822 41.231 42.059 -0.010 0.000 0.896 186 L HN 0.352 nan 8.230 nan 0.000 0.433 187 N N -0.092 118.675 118.700 0.112 0.000 2.223 187 N HA -0.190 4.550 4.740 0.000 0.000 0.185 187 N C 1.760 177.325 175.510 0.092 0.000 1.016 187 N CA 0.942 54.046 53.050 0.089 0.000 0.863 187 N CB 0.032 38.598 38.487 0.131 0.000 0.983 187 N HN 0.216 nan 8.380 nan 0.000 0.429 188 Q N 0.255 120.133 119.800 0.130 0.000 2.508 188 Q HA -0.080 4.260 4.340 0.000 0.000 0.214 188 Q C 1.507 177.403 176.000 -0.174 0.000 0.979 188 Q CA 0.533 56.378 55.803 0.071 0.000 0.911 188 Q CB -0.195 28.400 28.738 -0.239 0.000 0.969 188 Q HN 0.481 nan 8.270 nan 0.000 0.504 189 K N 0.849 121.183 120.400 -0.109 0.000 2.209 189 K HA -0.080 4.240 4.320 0.000 0.000 0.204 189 K C 1.802 178.264 176.600 -0.230 0.000 1.048 189 K CA 0.602 56.855 56.287 -0.057 0.000 0.940 189 K CB 0.167 32.724 32.500 0.094 0.000 0.729 189 K HN 0.127 nan 8.250 nan 0.000 0.451 190 R N -0.790 119.410 120.500 -0.500 0.000 2.159 190 R HA -0.147 4.193 4.340 0.000 0.000 0.237 190 R C 1.324 177.098 176.300 -0.877 0.000 1.131 190 R CA 1.331 56.897 56.100 -0.890 0.000 0.982 190 R CB -0.024 29.284 30.300 -1.653 0.000 0.868 190 R HN 0.427 nan 8.270 nan 0.000 0.453 191 W N -0.946 120.261 121.300 -0.156 0.000 2.873 191 W HA 0.231 4.891 4.660 0.000 0.000 0.282 191 W C 0.940 177.341 176.519 -0.197 0.000 1.118 191 W CA -0.581 56.664 57.345 -0.166 0.000 1.480 191 W CB -0.185 29.162 29.460 -0.190 0.000 0.954 191 W HN 0.022 nan 8.180 nan 0.000 0.591 192 N N 1.219 119.872 118.700 -0.078 0.000 2.515 192 N HA -0.074 4.666 4.740 0.000 0.000 0.185 192 N C 0.875 176.372 175.510 -0.021 0.000 1.109 192 N CA 0.762 53.722 53.050 -0.149 0.000 0.903 192 N CB -0.244 37.991 38.487 -0.420 0.000 0.969 192 N HN 0.156 nan 8.380 nan 0.000 0.450 193 N N -0.103 118.583 118.700 -0.024 0.000 2.325 193 N HA 0.061 4.801 4.740 0.000 0.000 0.182 193 N C 1.026 176.535 175.510 -0.002 0.000 1.088 193 N CA 0.077 53.128 53.050 0.001 0.000 0.879 193 N CB 0.416 38.894 38.487 -0.014 0.000 0.983 193 N HN 0.095 nan 8.380 nan 0.000 0.471 194 G N -0.254 108.543 108.800 -0.005 0.000 2.588 194 G HA2 0.261 4.221 3.960 0.000 0.000 0.281 194 G HA3 0.261 4.221 3.960 0.000 0.000 0.281 194 G C 0.682 175.602 174.900 0.034 0.000 1.236 194 G CA -0.310 44.798 45.100 0.012 0.000 0.969 194 G HN 0.079 nan 8.290 nan 0.000 0.504 195 S N -0.826 114.896 115.700 0.037 0.000 2.425 195 S HA -0.010 4.460 4.470 0.000 0.000 0.225 195 S C 0.856 175.490 174.600 0.056 0.000 1.024 195 S CA 0.316 58.544 58.200 0.046 0.000 0.951 195 S CB 0.040 63.263 63.200 0.038 0.000 0.796 195 S HN 0.627 nan 8.310 nan 0.000 0.498 196 D N 2.113 122.545 120.400 0.053 0.000 2.344 196 D HA 0.063 4.703 4.640 0.000 0.000 0.253 196 D C 0.845 177.178 176.300 0.055 0.000 1.255 196 D CA 0.017 54.048 54.000 0.052 0.000 0.894 196 D CB 0.602 41.427 40.800 0.043 0.000 1.067 196 D HN 0.071 nan 8.370 nan 0.000 0.492 197 E N 1.715 121.963 120.200 0.081 0.000 2.086 197 E HA -0.226 4.124 4.350 0.000 0.000 0.205 197 E C 1.692 178.355 176.600 0.106 0.000 1.027 197 E CA 1.472 57.941 56.400 0.116 0.000 0.830 197 E CB -0.351 29.434 29.700 0.141 0.000 0.751 197 E HN 0.577 nan 8.360 nan 0.000 0.456 198 S N -0.001 115.753 115.700 0.090 0.000 2.603 198 S HA 0.009 4.479 4.470 0.000 0.000 0.229 198 S C 1.346 175.903 174.600 -0.072 0.000 0.972 198 S CA 0.520 58.784 58.200 0.106 0.000 0.935 198 S CB 0.015 63.267 63.200 0.086 0.000 0.769 198 S HN 0.175 nan 8.310 nan 0.000 0.536 199 K N 0.338 120.676 120.400 -0.105 0.000 2.373 199 K HA 0.234 4.554 4.320 0.000 0.000 0.200 199 K C -0.115 176.310 176.600 -0.293 0.000 1.054 199 K CA -0.085 56.044 56.287 -0.263 0.000 1.065 199 K CB 0.495 32.890 32.500 -0.175 0.000 0.886 199 K HN 0.292 nan 8.250 nan 0.000 0.546 200 K N 1.617 121.911 120.400 -0.177 0.000 2.218 200 K HA 0.211 4.531 4.320 0.000 0.000 0.276 200 K C -0.718 175.664 176.600 -0.364 0.000 1.022 200 K CA -0.470 55.648 56.287 -0.282 0.000 0.946 200 K CB 0.909 33.174 32.500 -0.392 0.000 1.000 200 K HN -0.142 nan 8.250 nan 0.000 0.468 201 L N 4.221 125.186 121.223 -0.431 0.000 2.353 201 L HA 0.290 4.630 4.340 0.000 0.000 0.270 201 L C -1.560 175.092 176.870 -0.363 0.000 1.003 201 L CA -0.483 54.165 54.840 -0.320 0.000 0.862 201 L CB 0.302 42.218 42.059 -0.239 0.000 1.221 201 L HN 0.411 nan 8.230 nan 0.000 0.430 202 Y N 3.207 123.386 120.300 -0.202 0.000 2.425 202 Y HA 0.336 4.886 4.550 0.000 0.000 0.331 202 Y C 0.617 176.404 175.900 -0.188 0.000 1.157 202 Y CA 0.015 57.944 58.100 -0.283 0.000 1.372 202 Y CB 0.635 38.630 38.460 -0.776 0.000 1.253 202 Y HN 0.504 nan 8.280 nan 0.000 0.536 203 C N 3.608 122.985 119.300 0.128 0.000 2.351 203 C HA 0.688 5.148 4.460 0.000 0.000 0.326 203 C C -0.249 174.796 174.990 0.092 0.000 1.272 203 C CA -1.195 57.889 59.018 0.109 0.000 1.650 203 C CB 0.426 28.279 27.740 0.188 0.000 2.257 203 C HN 0.550 nan 8.230 nan 0.000 0.505 204 V N 3.426 123.374 119.914 0.057 0.000 2.409 204 V HA 0.334 4.454 4.120 0.000 0.000 0.291 204 V C -0.947 175.169 176.094 0.036 0.000 1.020 204 V CA -0.543 61.789 62.300 0.055 0.000 0.848 204 V CB 1.211 33.056 31.823 0.036 0.000 0.990 204 V HN 0.806 nan 8.190 nan 0.000 0.430 205 Y N 4.827 125.099 120.300 -0.047 0.000 2.334 205 Y HA 0.645 5.195 4.550 0.000 0.000 0.336 205 Y C -0.387 175.485 175.900 -0.046 0.000 0.960 205 Y CA -0.675 57.388 58.100 -0.061 0.000 1.164 205 Y CB 1.691 40.131 38.460 -0.033 0.000 1.155 205 Y HN 0.422 nan 8.280 nan 0.000 0.478 206 V N 6.228 125.822 119.914 -0.534 0.000 2.333 206 V HA 0.612 4.732 4.120 0.000 0.000 0.274 206 V C 0.042 175.899 176.094 -0.395 0.000 1.028 206 V CA -0.729 61.389 62.300 -0.303 0.000 0.851 206 V CB 0.773 32.522 31.823 -0.123 0.000 1.000 206 V HN 0.917 nan 8.190 nan 0.000 0.456 207 A N 5.470 128.197 122.820 -0.155 0.000 2.260 207 A HA 0.714 5.034 4.320 0.000 0.000 0.312 207 A C -0.377 177.203 177.584 -0.008 0.000 1.321 207 A CA -0.361 51.652 52.037 -0.040 0.000 0.928 207 A CB 0.481 19.567 19.000 0.142 0.000 1.158 207 A HN 0.701 nan 8.150 nan 0.000 0.542 208 V N 2.590 122.497 119.914 -0.011 0.000 2.378 208 V HA 0.642 4.762 4.120 0.000 0.000 0.288 208 V C 1.179 177.295 176.094 0.037 0.000 1.016 208 V CA 0.464 62.774 62.300 0.018 0.000 0.840 208 V CB 0.540 32.374 31.823 0.019 0.000 0.994 208 V HN 1.750 nan 8.190 nan 0.000 0.431 209 G N 3.778 112.605 108.800 0.045 0.000 2.176 209 G HA2 -0.229 3.731 3.960 0.000 0.000 0.253 209 G HA3 -0.229 3.731 3.960 0.000 0.000 0.253 209 G C 0.223 175.152 174.900 0.049 0.000 0.979 209 G CA 0.268 45.399 45.100 0.051 0.000 0.641 209 G HN 0.648 nan 8.290 nan 0.000 0.530 210 Q N 0.552 120.383 119.800 0.051 0.000 2.443 210 Q HA 0.422 4.762 4.340 0.000 0.000 0.232 210 Q C 0.761 176.790 176.000 0.049 0.000 1.026 210 Q CA 0.309 56.146 55.803 0.056 0.000 0.924 210 Q CB 0.504 29.288 28.738 0.076 0.000 1.256 210 Q HN 0.657 nan 8.270 nan 0.000 0.519 211 K N 0.517 120.944 120.400 0.044 0.000 2.185 211 K HA 0.213 4.533 4.320 0.000 0.000 0.271 211 K C 0.330 176.952 176.600 0.037 0.000 1.013 211 K CA -0.514 55.795 56.287 0.037 0.000 0.943 211 K CB 1.085 33.604 32.500 0.031 0.000 0.998 211 K HN 0.440 nan 8.250 nan 0.000 0.468 212 R N 0.717 121.237 120.500 0.032 0.000 2.139 212 R HA -0.184 4.156 4.340 0.000 0.000 0.243 212 R C 2.279 178.594 176.300 0.025 0.000 1.145 212 R CA 2.156 58.273 56.100 0.029 0.000 0.976 212 R CB -0.250 30.065 30.300 0.024 0.000 0.866 212 R HN 0.944 nan 8.270 nan 0.000 0.449 213 S N -0.949 114.764 115.700 0.023 0.000 2.406 213 S HA -0.087 4.383 4.470 0.000 0.000 0.228 213 S C 1.824 176.436 174.600 0.020 0.000 1.020 213 S CA 1.491 59.702 58.200 0.018 0.000 0.965 213 S CB -0.069 63.141 63.200 0.016 0.000 0.798 213 S HN 0.177 nan 8.310 nan 0.000 0.488 214 T N 1.942 116.513 114.554 0.028 0.000 2.857 214 T HA 0.055 4.405 4.350 0.000 0.000 0.266 214 T C 1.849 176.569 174.700 0.032 0.000 1.048 214 T CA 1.285 63.405 62.100 0.033 0.000 1.139 214 T CB -0.402 68.492 68.868 0.045 0.000 0.874 214 T HN 0.291 nan 8.240 nan 0.000 0.455 215 V N 1.792 121.732 119.914 0.042 0.000 2.307 215 V HA -0.132 3.988 4.120 0.000 0.000 0.245 215 V C 2.914 179.012 176.094 0.007 0.000 1.045 215 V CA 1.646 63.971 62.300 0.040 0.000 1.024 215 V CB -1.242 30.621 31.823 0.067 0.000 0.651 215 V HN 0.500 nan 8.190 nan 0.000 0.449 216 A N -0.311 122.514 122.820 0.009 0.000 1.917 216 A HA -0.358 3.962 4.320 0.000 0.000 0.219 216 A C 2.178 179.754 177.584 -0.014 0.000 1.182 216 A CA 2.514 54.550 52.037 -0.003 0.000 0.633 216 A CB -0.612 18.389 19.000 0.002 0.000 0.819 216 A HN 0.551 nan 8.150 nan 0.000 0.448 217 Q N -0.570 119.225 119.800 -0.009 0.000 2.079 217 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 217 Q C 1.864 177.846 176.000 -0.031 0.000 0.974 217 Q CA 1.833 57.629 55.803 -0.013 0.000 0.840 217 Q CB -0.594 28.146 28.738 0.002 0.000 0.898 217 Q HN 0.539 nan 8.270 nan 0.000 0.430 218 L N -0.662 120.534 121.223 -0.046 0.000 1.976 218 L HA -0.142 4.198 4.340 0.000 0.000 0.209 218 L C 2.196 178.997 176.870 -0.115 0.000 1.071 218 L CA 1.584 56.363 54.840 -0.102 0.000 0.746 218 L CB -0.703 41.247 42.059 -0.181 0.000 0.890 218 L HN 0.141 nan 8.230 nan 0.000 0.432 219 V N -0.492 119.365 119.914 -0.095 0.000 2.546 219 V HA -0.353 3.767 4.120 0.000 0.000 0.254 219 V C 2.485 178.539 176.094 -0.067 0.000 1.076 219 V CA 2.067 64.319 62.300 -0.081 0.000 1.087 219 V CB -0.782 31.012 31.823 -0.049 0.000 0.674 219 V HN 0.605 nan 8.190 nan 0.000 0.470 220 Q N -0.650 119.117 119.800 -0.055 0.000 2.245 220 Q HA -0.129 4.211 4.340 0.000 0.000 0.201 220 Q C 2.290 178.259 176.000 -0.052 0.000 0.955 220 Q CA 1.608 57.382 55.803 -0.048 0.000 0.870 220 Q CB 0.070 28.784 28.738 -0.039 0.000 0.945 220 Q HN 0.705 nan 8.270 nan 0.000 0.461 221 T N 1.337 115.857 114.554 -0.056 0.000 2.812 221 T HA -0.065 4.285 4.350 0.000 0.000 0.264 221 T C 1.885 176.582 174.700 -0.006 0.000 1.042 221 T CA 0.672 62.744 62.100 -0.047 0.000 1.140 221 T CB -0.166 68.654 68.868 -0.080 0.000 0.870 221 T HN 0.215 nan 8.240 nan 0.000 0.445 222 L N 0.761 121.948 121.223 -0.061 0.000 2.043 222 L HA -0.194 4.146 4.340 0.000 0.000 0.212 222 L C 2.703 179.536 176.870 -0.062 0.000 1.075 222 L CA 1.594 56.387 54.840 -0.078 0.000 0.752 222 L CB -0.586 41.394 42.059 -0.132 0.000 0.891 222 L HN 0.356 nan 8.230 nan 0.000 0.432 223 E N -0.397 119.767 120.200 -0.060 0.000 2.047 223 E HA -0.236 4.114 4.350 0.000 0.000 0.191 223 E C 2.190 178.755 176.600 -0.057 0.000 0.987 223 E CA 0.880 57.243 56.400 -0.062 0.000 0.799 223 E CB -0.071 29.594 29.700 -0.058 0.000 0.752 223 E HN 0.495 nan 8.360 nan 0.000 0.449 224 Q N -0.451 119.316 119.800 -0.055 0.000 2.439 224 Q HA -0.149 4.191 4.340 0.000 0.000 0.211 224 Q C 0.811 176.686 176.000 -0.210 0.000 0.978 224 Q CA 1.007 56.742 55.803 -0.114 0.000 0.897 224 Q CB 0.046 28.712 28.738 -0.119 0.000 0.956 224 Q HN 0.372 nan 8.270 nan 0.000 0.483 225 H N -1.404 117.606 119.070 -0.100 0.000 2.893 225 H HA 0.066 4.622 4.556 0.000 0.000 0.270 225 H C -0.565 174.721 175.328 -0.070 0.000 1.095 225 H CA 0.002 56.003 56.048 -0.077 0.000 1.186 225 H CB 0.827 30.550 29.762 -0.065 0.000 1.562 225 H HN 0.056 nan 8.280 nan 0.000 0.536 226 D N -0.247 120.146 120.400 -0.013 0.000 2.746 226 D HA -0.181 4.459 4.640 0.000 0.000 0.236 226 D C 0.828 177.053 176.300 -0.125 0.000 1.129 226 D CA 0.737 54.707 54.000 -0.050 0.000 0.691 226 D CB -1.122 39.667 40.800 -0.018 0.000 1.077 226 D HN 0.512 nan 8.370 nan 0.000 0.432 227 A N -0.557 122.116 122.820 -0.244 0.000 2.167 227 A HA 0.148 4.468 4.320 0.000 0.000 0.208 227 A C 2.148 179.280 177.584 -0.754 0.000 1.198 227 A CA 0.471 52.092 52.037 -0.694 0.000 0.863 227 A CB -0.017 18.733 19.000 -0.418 0.000 0.904 227 A HN 0.277 nan 8.150 nan 0.000 0.484 228 M N 1.447 120.837 119.600 -0.350 0.000 2.144 228 M HA -0.226 4.254 4.480 0.000 0.000 0.260 228 M C 2.069 178.259 176.300 -0.184 0.000 1.067 228 M CA 2.165 57.331 55.300 -0.224 0.000 1.095 228 M CB -0.979 31.546 32.600 -0.125 0.000 1.365 228 M HN 0.697 nan 8.290 nan 0.000 0.406 229 K N 0.251 120.549 120.400 -0.170 0.000 2.160 229 K HA -0.199 4.121 4.320 0.000 0.000 0.206 229 K C 1.231 177.874 176.600 0.072 0.000 1.047 229 K CA 1.931 58.198 56.287 -0.033 0.000 0.930 229 K CB -0.838 31.674 32.500 0.020 0.000 0.720 229 K HN 0.539 nan 8.250 nan 0.000 0.450 230 Y N 0.006 120.360 120.300 0.090 0.000 2.584 230 Y HA 0.477 5.027 4.550 0.000 0.000 0.254 230 Y C -0.373 175.594 175.900 0.112 0.000 1.177 230 Y CA -1.212 56.979 58.100 0.150 0.000 1.216 230 Y CB 0.141 38.676 38.460 0.125 0.000 1.172 230 Y HN -0.102 nan 8.280 nan 0.000 0.529 231 S N 0.888 116.618 115.700 0.051 0.000 2.607 231 S HA 0.767 5.237 4.470 0.000 0.000 0.303 231 S C -0.791 173.845 174.600 0.059 0.000 1.086 231 S CA -0.725 57.514 58.200 0.066 0.000 0.995 231 S CB 2.169 65.350 63.200 -0.031 0.000 1.084 231 S HN 0.219 nan 8.310 nan 0.000 0.507 232 I N 1.804 122.423 120.570 0.082 0.000 2.533 232 I HA 0.390 4.560 4.170 0.000 0.000 0.290 232 I C -1.261 174.912 176.117 0.095 0.000 1.056 232 I CA -0.714 60.634 61.300 0.080 0.000 1.057 232 I CB 1.650 39.712 38.000 0.103 0.000 1.240 232 I HN 0.385 nan 8.210 nan 0.000 0.423 233 I N 6.898 127.517 120.570 0.082 0.000 2.355 233 I HA 0.348 4.518 4.170 0.000 0.000 0.288 233 I C -0.190 175.978 176.117 0.085 0.000 0.999 233 I CA -0.761 60.610 61.300 0.119 0.000 1.163 233 I CB 1.351 39.412 38.000 0.101 0.000 1.316 233 I HN 0.125 nan 8.210 nan 0.000 0.454 234 V N 5.875 125.836 119.914 0.078 0.000 2.347 234 V HA 0.701 4.821 4.120 0.000 0.000 0.280 234 V C 0.430 176.546 176.094 0.037 0.000 1.021 234 V CA -0.532 61.793 62.300 0.041 0.000 0.847 234 V CB 1.425 33.262 31.823 0.024 0.000 0.990 234 V HN 0.862 nan 8.190 nan 0.000 0.444 235 A N 4.317 127.157 122.820 0.034 0.000 2.331 235 A HA 0.924 5.244 4.320 0.000 0.000 0.320 235 A C -0.067 177.526 177.584 0.016 0.000 1.138 235 A CA -0.369 51.691 52.037 0.037 0.000 0.790 235 A CB 1.521 20.553 19.000 0.053 0.000 1.206 235 A HN 1.323 nan 8.150 nan 0.000 0.470 236 A N 2.743 125.573 122.820 0.017 0.000 2.702 236 A HA 0.636 4.956 4.320 0.000 0.000 0.305 236 A C 0.285 177.885 177.584 0.027 0.000 1.213 236 A CA 0.024 52.068 52.037 0.011 0.000 0.745 236 A CB -0.132 18.868 19.000 -0.000 0.000 1.161 236 A HN 1.296 nan 8.150 nan 0.000 0.445 237 T N -0.897 113.675 114.554 0.030 0.000 2.788 237 T HA 0.539 4.889 4.350 0.000 0.000 0.280 237 T C 1.626 176.348 174.700 0.038 0.000 0.984 237 T CA 0.053 62.175 62.100 0.037 0.000 0.972 237 T CB 1.084 69.973 68.868 0.035 0.000 1.039 237 T HN 1.260 nan 8.240 nan 0.000 0.530 238 A N 0.866 123.710 122.820 0.039 0.000 2.042 238 A HA -0.126 4.194 4.320 0.000 0.000 0.222 238 A C 2.449 180.055 177.584 0.037 0.000 1.167 238 A CA 2.291 54.352 52.037 0.039 0.000 0.649 238 A CB -1.384 17.638 19.000 0.036 0.000 0.809 238 A HN 1.131 nan 8.150 nan 0.000 0.457 239 S N -0.713 115.007 115.700 0.033 0.000 2.517 239 S HA 0.116 4.586 4.470 0.000 0.000 0.214 239 S C 0.400 175.021 174.600 0.035 0.000 0.991 239 S CA -0.303 57.916 58.200 0.031 0.000 0.906 239 S CB -0.113 63.103 63.200 0.027 0.000 0.789 239 S HN 0.597 nan 8.310 nan 0.000 0.513 240 E N 1.882 122.103 120.200 0.035 0.000 2.383 240 E HA 0.456 4.806 4.350 0.000 0.000 0.264 240 E C 0.172 176.802 176.600 0.050 0.000 1.050 240 E CA -0.076 56.345 56.400 0.036 0.000 0.896 240 E CB 0.731 30.444 29.700 0.021 0.000 0.982 240 E HN 0.471 nan 8.360 nan 0.000 0.424 241 A N 1.855 124.713 122.820 0.063 0.000 2.466 241 A HA 0.236 4.556 4.320 0.000 0.000 0.238 241 A C 1.300 178.948 177.584 0.106 0.000 1.074 241 A CA 0.564 52.655 52.037 0.091 0.000 0.774 241 A CB 0.406 19.485 19.000 0.131 0.000 1.015 241 A HN 0.793 nan 8.150 nan 0.000 0.498 242 A N 2.507 125.399 122.820 0.119 0.000 1.940 242 A HA -0.043 4.277 4.320 0.000 0.000 0.219 242 A C -0.238 177.477 177.584 0.218 0.000 1.176 242 A CA 2.048 54.170 52.037 0.142 0.000 0.631 242 A CB -1.606 17.459 19.000 0.109 0.000 0.814 242 A HN 0.633 nan 8.150 nan 0.000 0.446 243 P HA -0.123 nan 4.420 nan 0.000 0.218 243 P C 1.361 178.759 177.300 0.164 0.000 1.148 243 P CA 0.817 64.146 63.100 0.382 0.000 0.822 243 P CB -0.119 31.895 31.700 0.524 0.000 0.784 244 L N -1.091 120.132 121.223 0.000 0.000 2.109 244 L HA -0.164 4.176 4.340 0.000 0.000 0.207 244 L C 2.527 179.385 176.870 -0.021 0.000 1.086 244 L CA 1.469 56.235 54.840 -0.124 0.000 0.760 244 L CB -0.870 41.103 42.059 -0.143 0.000 0.910 244 L HN 0.009 nan 8.230 nan 0.000 0.437 245 Q N -1.101 118.739 119.800 0.066 0.000 2.172 245 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 245 Q C 2.079 178.164 176.000 0.142 0.000 0.964 245 Q CA 1.492 57.347 55.803 0.087 0.000 0.855 245 Q CB -0.227 28.573 28.738 0.104 0.000 0.918 245 Q HN 0.512 nan 8.270 nan 0.000 0.444 246 Y N 1.109 121.475 120.300 0.111 0.000 2.163 246 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 246 Y C 1.666 177.691 175.900 0.208 0.000 1.136 246 Y CA 1.268 59.473 58.100 0.175 0.000 1.147 246 Y CB -0.427 38.197 38.460 0.272 0.000 0.987 246 Y HN -0.029 nan 8.280 nan 0.000 0.509 247 L N 0.273 121.283 121.223 -0.355 0.000 2.141 247 L HA -0.122 4.218 4.340 0.000 0.000 0.209 247 L C 2.856 179.668 176.870 -0.096 0.000 1.094 247 L CA 0.925 55.552 54.840 -0.355 0.000 0.763 247 L CB -0.963 40.916 42.059 -0.300 0.000 0.908 247 L HN 0.416 nan 8.230 nan 0.000 0.437 248 A N 1.167 123.939 122.820 -0.080 0.000 1.859 248 A HA -0.176 4.144 4.320 0.000 0.000 0.217 248 A C -0.018 177.544 177.584 -0.036 0.000 1.198 248 A CA 2.140 54.148 52.037 -0.048 0.000 0.629 248 A CB -2.001 16.980 19.000 -0.031 0.000 0.830 248 A HN 0.305 nan 8.150 nan 0.000 0.446 249 P HA -0.144 nan 4.420 nan 0.000 0.219 249 P C 1.111 178.300 177.300 -0.184 0.000 1.146 249 P CA 1.053 64.089 63.100 -0.107 0.000 0.808 249 P CB -0.265 31.170 31.700 -0.441 0.000 0.779 250 F N 1.329 121.227 119.950 -0.088 0.000 2.113 250 F HA -0.142 4.385 4.527 0.000 0.000 0.297 250 F C 2.735 178.517 175.800 -0.030 0.000 1.103 250 F CA 2.154 60.103 58.000 -0.084 0.000 1.248 250 F CB -2.071 36.829 39.000 -0.167 0.000 0.999 250 F HN -0.007 nan 8.300 nan 0.000 0.475 251 T N -1.648 112.985 114.554 0.131 0.000 2.788 251 T HA -0.143 4.207 4.350 0.000 0.000 0.268 251 T C 2.167 176.913 174.700 0.078 0.000 1.044 251 T CA 1.028 63.173 62.100 0.076 0.000 1.139 251 T CB -0.980 67.903 68.868 0.026 0.000 0.867 251 T HN 0.205 nan 8.240 nan 0.000 0.454 252 A N 2.266 125.132 122.820 0.077 0.000 1.877 252 A HA 0.254 4.574 4.320 0.000 0.000 0.216 252 A C 2.904 180.556 177.584 0.114 0.000 1.186 252 A CA 2.157 54.243 52.037 0.082 0.000 0.620 252 A CB -1.557 17.483 19.000 0.067 0.000 0.822 252 A HN 0.779 nan 8.150 nan 0.000 0.443 253 A N -0.454 122.455 122.820 0.149 0.000 1.903 253 A HA -0.185 4.135 4.320 0.000 0.000 0.219 253 A C 2.464 180.134 177.584 0.143 0.000 1.191 253 A CA 2.460 54.595 52.037 0.163 0.000 0.638 253 A CB -1.036 18.066 19.000 0.170 0.000 0.823 253 A HN 0.485 nan 8.150 nan 0.000 0.451 254 S N -0.479 115.298 115.700 0.129 0.000 2.368 254 S HA -0.085 4.385 4.470 0.000 0.000 0.224 254 S C 1.798 176.472 174.600 0.124 0.000 1.029 254 S CA 1.376 59.644 58.200 0.113 0.000 0.988 254 S CB -0.487 62.766 63.200 0.089 0.000 0.838 254 S HN 0.535 nan 8.310 nan 0.000 0.462 255 I N 1.484 122.125 120.570 0.118 0.000 2.163 255 I HA -0.163 4.007 4.170 0.000 0.000 0.243 255 I C 2.670 178.938 176.117 0.252 0.000 1.085 255 I CA 1.316 62.694 61.300 0.130 0.000 1.347 255 I CB -0.751 37.313 38.000 0.108 0.000 1.044 255 I HN 0.373 nan 8.210 nan 0.000 0.408 256 G N -0.207 108.748 108.800 0.259 0.000 2.470 256 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 256 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 256 G C 1.526 176.629 174.900 0.338 0.000 1.121 256 G CA 0.492 45.796 45.100 0.340 0.000 0.766 256 G HN 0.407 nan 8.290 nan 0.000 0.553 257 E N -0.878 119.454 120.200 0.221 0.000 2.152 257 E HA -0.071 4.279 4.350 0.000 0.000 0.192 257 E C 1.873 178.536 176.600 0.105 0.000 0.983 257 E CA 0.251 56.739 56.400 0.145 0.000 0.818 257 E CB -0.178 29.582 29.700 0.101 0.000 0.758 257 E HN 0.609 nan 8.360 nan 0.000 0.467 258 W N 0.800 122.047 121.300 -0.090 0.000 2.302 258 W HA -0.309 4.351 4.660 0.000 0.000 0.320 258 W C 1.491 177.857 176.519 -0.254 0.000 1.241 258 W CA 1.950 59.142 57.345 -0.254 0.000 1.264 258 W CB -0.465 28.698 29.460 -0.495 0.000 1.154 258 W HN 0.023 nan 8.180 nan 0.000 0.483 259 F N 0.138 120.215 119.950 0.212 0.000 2.075 259 F HA -0.173 4.354 4.527 0.000 0.000 0.297 259 F C 2.762 178.466 175.800 -0.160 0.000 1.113 259 F CA 2.276 60.303 58.000 0.045 0.000 1.218 259 F CB -1.500 37.631 39.000 0.219 0.000 0.984 259 F HN -0.170 nan 8.300 nan 0.000 0.472 260 R N 0.616 121.181 120.500 0.108 0.000 2.103 260 R HA -0.195 4.145 4.340 0.000 0.000 0.242 260 R C 1.496 177.722 176.300 -0.124 0.000 1.142 260 R CA 2.169 58.257 56.100 -0.019 0.000 0.960 260 R CB -0.472 29.848 30.300 0.033 0.000 0.858 260 R HN 0.237 nan 8.270 nan 0.000 0.439 261 D N -0.124 120.163 120.400 -0.188 0.000 2.234 261 D HA -0.050 4.590 4.640 0.000 0.000 0.205 261 D C 0.370 176.476 176.300 -0.322 0.000 0.962 261 D CA 0.736 54.600 54.000 -0.227 0.000 0.855 261 D CB -0.118 40.552 40.800 -0.217 0.000 0.951 261 D HN 0.229 nan 8.370 nan 0.000 0.500 262 N N 0.395 118.797 118.700 -0.497 0.000 2.558 262 N HA 0.193 4.933 4.740 0.000 0.000 0.281 262 N C 0.732 176.047 175.510 -0.325 0.000 1.219 262 N CA 0.116 52.842 53.050 -0.540 0.000 0.942 262 N CB 1.051 38.891 38.487 -1.079 0.000 1.241 262 N HN 0.088 nan 8.380 nan 0.000 0.511 263 G N 0.986 109.646 108.800 -0.234 0.000 2.198 263 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 263 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 263 G C 0.122 174.891 174.900 -0.219 0.000 1.025 263 G CA 0.611 45.604 45.100 -0.178 0.000 0.769 263 G HN 0.381 nan 8.290 nan 0.000 0.507 264 K N -0.983 119.265 120.400 -0.254 0.000 2.261 264 K HA 0.723 5.043 4.320 0.000 0.000 0.242 264 K C -0.622 175.713 176.600 -0.443 0.000 1.083 264 K CA -1.075 55.095 56.287 -0.195 0.000 0.880 264 K CB 1.279 33.951 32.500 0.287 0.000 1.353 264 K HN 0.254 nan 8.250 nan 0.000 0.486 265 H N -0.083 119.085 119.070 0.163 0.000 2.970 265 H HA 0.425 4.981 4.556 0.000 0.000 0.315 265 H C -1.218 174.134 175.328 0.039 0.000 0.992 265 H CA -0.671 55.407 56.048 0.050 0.000 1.363 265 H CB 1.637 31.362 29.762 -0.062 0.000 1.532 265 H HN 0.668 nan 8.280 nan 0.000 0.514 266 A N 3.364 126.268 122.820 0.139 0.000 2.325 266 A HA 0.564 4.884 4.320 0.000 0.000 0.333 266 A C -0.770 176.838 177.584 0.040 0.000 1.155 266 A CA -0.697 51.380 52.037 0.067 0.000 0.814 266 A CB 1.443 20.527 19.000 0.140 0.000 1.206 266 A HN 0.502 nan 8.150 nan 0.000 0.482 267 L N 2.230 123.454 121.223 0.003 0.000 2.329 267 L HA 0.816 5.156 4.340 0.000 0.000 0.279 267 L C -0.913 175.925 176.870 -0.053 0.000 1.014 267 L CA -0.436 54.390 54.840 -0.022 0.000 0.814 267 L CB 1.299 43.344 42.059 -0.024 0.000 1.257 267 L HN 0.672 nan 8.230 nan 0.000 0.424 268 I N 4.953 125.444 120.570 -0.132 0.000 2.533 268 I HA 0.565 4.735 4.170 0.000 0.000 0.290 268 I C -1.446 174.384 176.117 -0.477 0.000 1.056 268 I CA -0.688 60.431 61.300 -0.302 0.000 1.057 268 I CB 1.993 39.777 38.000 -0.360 0.000 1.240 268 I HN 0.414 nan 8.210 nan 0.000 0.423 269 V N 7.730 127.352 119.914 -0.488 0.000 2.448 269 V HA 0.363 4.483 4.120 0.000 0.000 0.295 269 V C -1.212 174.510 176.094 -0.620 0.000 1.025 269 V CA -0.486 61.557 62.300 -0.430 0.000 0.859 269 V CB 1.415 33.135 31.823 -0.172 0.000 0.988 269 V HN 0.481 nan 8.190 nan 0.000 0.431 270 Y N 2.238 122.402 120.300 -0.227 0.000 2.491 270 Y HA 0.475 5.025 4.550 0.000 0.000 0.334 270 Y C 0.208 175.966 175.900 -0.238 0.000 0.969 270 Y CA -0.994 56.953 58.100 -0.255 0.000 1.241 270 Y CB 0.951 39.275 38.460 -0.227 0.000 1.105 270 Y HN 0.518 nan 8.280 nan 0.000 0.503 271 D N 3.733 124.024 120.400 -0.180 0.000 2.479 271 D HA 0.195 4.836 4.640 0.000 0.000 0.247 271 D C -1.269 174.998 176.300 -0.056 0.000 1.119 271 D CA -0.285 53.638 54.000 -0.129 0.000 0.922 271 D CB 0.244 40.927 40.800 -0.194 0.000 1.014 271 D HN 0.685 nan 8.370 nan 0.000 0.510 272 D N 0.038 120.430 120.400 -0.014 0.000 2.581 272 D HA 0.187 4.827 4.640 0.000 0.000 0.232 272 D C 1.116 177.408 176.300 -0.013 0.000 1.143 272 D CA -0.737 53.254 54.000 -0.015 0.000 0.881 272 D CB 1.017 41.814 40.800 -0.005 0.000 1.500 272 D HN 0.017 nan 8.370 nan 0.000 0.458 273 L N 0.356 121.537 121.223 -0.070 0.000 2.353 273 L HA -0.112 4.228 4.340 0.000 0.000 0.220 273 L C 1.748 178.642 176.870 0.040 0.000 1.133 273 L CA 0.891 55.663 54.840 -0.113 0.000 0.798 273 L CB -0.481 41.255 42.059 -0.538 0.000 0.922 273 L HN 0.419 nan 8.230 nan 0.000 0.445 274 S N -0.025 115.693 115.700 0.029 0.000 2.368 274 S HA -0.170 4.300 4.470 0.000 0.000 0.224 274 S C 1.956 176.635 174.600 0.131 0.000 1.029 274 S CA 1.241 59.493 58.200 0.086 0.000 0.988 274 S CB -0.049 63.189 63.200 0.063 0.000 0.838 274 S HN 0.388 nan 8.310 nan 0.000 0.462 275 K N 1.009 121.470 120.400 0.101 0.000 2.155 275 K HA -0.001 4.319 4.320 0.000 0.000 0.203 275 K C 2.455 179.137 176.600 0.136 0.000 1.052 275 K CA 0.648 57.000 56.287 0.109 0.000 0.948 275 K CB -0.090 32.456 32.500 0.077 0.000 0.728 275 K HN 0.316 nan 8.250 nan 0.000 0.448 276 Q N 0.592 120.473 119.800 0.135 0.000 2.050 276 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 276 Q C 2.012 178.141 176.000 0.216 0.000 0.980 276 Q CA 1.705 57.606 55.803 0.163 0.000 0.840 276 Q CB -0.112 28.701 28.738 0.125 0.000 0.898 276 Q HN 0.324 nan 8.270 nan 0.000 0.424 277 A N 0.018 122.969 122.820 0.220 0.000 1.972 277 A HA -0.112 4.208 4.320 0.000 0.000 0.219 277 A C 2.201 180.048 177.584 0.438 0.000 1.169 277 A CA 1.336 53.530 52.037 0.261 0.000 0.635 277 A CB -0.566 18.525 19.000 0.152 0.000 0.810 277 A HN 0.308 nan 8.150 nan 0.000 0.446 278 V N -0.230 119.885 119.914 0.335 0.000 2.295 278 V HA -0.253 3.867 4.120 0.000 0.000 0.246 278 V C 3.070 179.257 176.094 0.156 0.000 1.049 278 V CA 1.890 64.323 62.300 0.222 0.000 1.024 278 V CB -1.177 30.741 31.823 0.158 0.000 0.648 278 V HN 0.624 nan 8.190 nan 0.000 0.447 279 A N -0.875 122.052 122.820 0.177 0.000 1.892 279 A HA -0.317 4.003 4.320 0.000 0.000 0.218 279 A C 2.176 179.863 177.584 0.172 0.000 1.188 279 A CA 2.383 54.521 52.037 0.168 0.000 0.631 279 A CB -0.897 18.226 19.000 0.205 0.000 0.822 279 A HN 0.629 nan 8.150 nan 0.000 0.447 280 Y N 0.367 120.715 120.300 0.081 0.000 2.224 280 Y HA -0.198 4.352 4.550 0.000 0.000 0.289 280 Y C 2.539 178.431 175.900 -0.014 0.000 1.146 280 Y CA 2.048 60.136 58.100 -0.020 0.000 1.182 280 Y CB -0.315 38.132 38.460 -0.022 0.000 0.983 280 Y HN 0.370 nan 8.280 nan 0.000 0.524 281 R N 0.292 120.832 120.500 0.067 0.000 2.096 281 R HA -0.238 4.102 4.340 0.000 0.000 0.235 281 R C 2.411 178.629 176.300 -0.137 0.000 1.127 281 R CA 1.838 57.892 56.100 -0.075 0.000 0.968 281 R CB -0.437 29.747 30.300 -0.193 0.000 0.861 281 R HN 0.549 nan 8.270 nan 0.000 0.440 282 Q N 0.593 120.342 119.800 -0.085 0.000 2.061 282 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 282 Q C 2.128 178.066 176.000 -0.103 0.000 0.984 282 Q CA 1.978 57.737 55.803 -0.073 0.000 0.846 282 Q CB -0.110 28.614 28.738 -0.022 0.000 0.902 282 Q HN 0.475 nan 8.270 nan 0.000 0.421 283 L N 0.047 121.181 121.223 -0.147 0.000 2.005 283 L HA -0.151 4.190 4.340 0.000 0.000 0.207 283 L C 2.656 179.390 176.870 -0.227 0.000 1.072 283 L CA 1.258 55.993 54.840 -0.175 0.000 0.744 283 L CB -0.604 41.317 42.059 -0.229 0.000 0.895 283 L HN 0.137 nan 8.230 nan 0.000 0.433 284 S N 0.427 115.912 115.700 -0.358 0.000 2.365 284 S HA -0.167 4.303 4.470 0.000 0.000 0.225 284 S C 2.027 176.531 174.600 -0.160 0.000 1.039 284 S CA 1.444 59.466 58.200 -0.297 0.000 1.033 284 S CB -0.470 62.521 63.200 -0.348 0.000 0.887 284 S HN 0.265 nan 8.310 nan 0.000 0.447 285 L N 0.857 121.997 121.223 -0.138 0.000 2.017 285 L HA -0.076 4.264 4.340 0.000 0.000 0.208 285 L C 2.256 179.082 176.870 -0.073 0.000 1.073 285 L CA 1.107 55.892 54.840 -0.092 0.000 0.745 285 L CB -0.549 41.457 42.059 -0.089 0.000 0.894 285 L HN 0.279 nan 8.230 nan 0.000 0.432 286 L N -0.632 120.546 121.223 -0.075 0.000 2.275 286 L HA -0.159 4.181 4.340 0.000 0.000 0.215 286 L C 2.018 178.861 176.870 -0.046 0.000 1.119 286 L CA 0.768 55.576 54.840 -0.052 0.000 0.790 286 L CB -0.136 41.897 42.059 -0.044 0.000 0.919 286 L HN 0.295 nan 8.230 nan 0.000 0.443 287 L N -0.603 120.583 121.223 -0.061 0.000 2.611 287 L HA 0.104 4.444 4.340 0.000 0.000 0.229 287 L C 0.547 177.392 176.870 -0.041 0.000 1.137 287 L CA 0.003 54.814 54.840 -0.047 0.000 0.901 287 L CB -0.089 41.933 42.059 -0.063 0.000 1.098 287 L HN 0.195 nan 8.230 nan 0.000 0.456 288 R N 0.644 121.117 120.500 -0.044 0.000 3.416 288 R HA -0.179 4.161 4.340 0.000 0.000 0.263 288 R C -0.198 176.083 176.300 -0.031 0.000 1.053 288 R CA 0.408 56.487 56.100 -0.035 0.000 0.705 288 R CB -1.601 28.686 30.300 -0.022 0.000 1.124 288 R HN 0.393 nan 8.270 nan 0.000 0.444 289 R N 0.611 121.085 120.500 -0.043 0.000 2.490 289 R HA 0.230 4.570 4.340 0.000 0.000 0.278 289 R C -2.061 174.226 176.300 -0.021 0.000 1.069 289 R CA -1.859 54.224 56.100 -0.029 0.000 1.080 289 R CB 0.300 30.577 30.300 -0.039 0.000 1.030 289 R HN -0.114 nan 8.270 nan 0.000 0.491 290 P HA 0.014 nan 4.420 nan 0.000 0.264 290 P C -2.306 174.995 177.300 0.002 0.000 1.183 290 P CA -0.563 62.536 63.100 -0.002 0.000 0.763 290 P CB 0.146 31.851 31.700 0.007 0.000 0.807 291 P HA 0.410 nan 4.420 nan 0.000 0.290 291 P C -0.245 177.052 177.300 -0.004 0.000 1.283 291 P CA -0.297 62.799 63.100 -0.006 0.000 0.869 291 P CB 2.132 33.815 31.700 -0.029 0.000 1.100 292 G N 1.060 109.861 108.800 0.002 0.000 3.264 292 G HA2 0.343 4.303 3.960 0.000 0.000 0.168 292 G HA3 0.343 4.303 3.960 0.000 0.000 0.168 292 G C -0.568 174.298 174.900 -0.058 0.000 1.145 292 G CA -0.840 44.241 45.100 -0.032 0.000 0.855 292 G HN 0.559 nan 8.290 nan 0.000 0.629 293 R N 0.643 121.055 120.500 -0.147 0.000 2.566 293 R HA 0.035 4.375 4.340 0.000 0.000 0.273 293 R C 0.245 176.531 176.300 -0.024 0.000 0.981 293 R CA 1.087 57.088 56.100 -0.165 0.000 1.091 293 R CB -0.183 29.887 30.300 -0.384 0.000 0.924 293 R HN 0.698 nan 8.270 nan 0.000 0.411 294 E N 2.230 122.455 120.200 0.041 0.000 2.735 294 E HA -0.346 4.004 4.350 0.000 0.000 0.261 294 E C 0.255 176.845 176.600 -0.017 0.000 1.137 294 E CA 0.632 57.099 56.400 0.112 0.000 0.754 294 E CB -0.979 28.929 29.700 0.346 0.000 1.352 294 E HN 0.857 nan 8.360 nan 0.000 0.430 295 A N -2.593 120.203 122.820 -0.041 0.000 2.899 295 A HA -0.290 4.030 4.320 0.000 0.000 0.257 295 A C -0.029 177.467 177.584 -0.147 0.000 1.335 295 A CA 1.634 53.607 52.037 -0.107 0.000 0.924 295 A CB -2.121 16.792 19.000 -0.145 0.000 1.105 295 A HN 0.419 nan 8.150 nan 0.000 0.765 296 Y N 0.249 120.582 120.300 0.054 0.000 2.300 296 Y HA 0.501 5.051 4.550 0.000 0.000 0.328 296 Y C -1.367 174.600 175.900 0.112 0.000 1.270 296 Y CA -1.237 56.943 58.100 0.134 0.000 1.352 296 Y CB 0.524 39.165 38.460 0.302 0.000 1.286 296 Y HN 0.260 nan 8.280 nan 0.000 0.536 297 P HA 0.119 nan 4.420 nan 0.000 0.282 297 P C 0.465 177.933 177.300 0.280 0.000 1.259 297 P CA -0.357 62.879 63.100 0.225 0.000 0.826 297 P CB 1.190 33.006 31.700 0.193 0.000 1.064 298 G N 1.452 110.371 108.800 0.199 0.000 2.527 298 G HA2 -0.213 3.748 3.960 0.000 0.000 0.219 298 G HA3 -0.213 3.748 3.960 0.000 0.000 0.219 298 G C 0.511 175.560 174.900 0.248 0.000 1.117 298 G CA 0.676 45.893 45.100 0.196 0.000 0.759 298 G HN 0.651 nan 8.290 nan 0.000 0.556 299 D N -0.635 119.945 120.400 0.300 0.000 2.538 299 D HA 0.114 4.754 4.640 0.000 0.000 0.231 299 D C 1.577 178.055 176.300 0.296 0.000 1.229 299 D CA -0.437 53.771 54.000 0.346 0.000 0.828 299 D CB -0.025 41.005 40.800 0.383 0.000 1.035 299 D HN 0.063 nan 8.370 nan 0.000 0.495 300 V N -0.213 119.872 119.914 0.286 0.000 2.548 300 V HA -0.088 4.032 4.120 0.000 0.000 0.249 300 V C 1.747 177.815 176.094 -0.042 0.000 1.055 300 V CA 1.147 63.497 62.300 0.083 0.000 1.065 300 V CB -0.664 31.267 31.823 0.180 0.000 0.681 300 V HN 0.211 nan 8.190 nan 0.000 0.462 301 F N 0.188 120.129 119.950 -0.016 0.000 2.102 301 F HA -0.213 4.314 4.527 0.000 0.000 0.298 301 F C 2.184 178.016 175.800 0.052 0.000 1.105 301 F CA 2.366 60.346 58.000 -0.033 0.000 1.239 301 F CB -0.682 38.322 39.000 0.008 0.000 0.991 301 F HN 0.366 nan 8.300 nan 0.000 0.474 302 Y N 0.671 121.113 120.300 0.237 0.000 2.333 302 Y HA -0.186 4.364 4.550 0.000 0.000 0.290 302 Y C 2.033 177.935 175.900 0.003 0.000 1.144 302 Y CA 1.499 59.690 58.100 0.151 0.000 1.228 302 Y CB -0.871 37.681 38.460 0.153 0.000 0.985 302 Y HN 0.257 nan 8.280 nan 0.000 0.542 303 L N -0.265 120.846 121.223 -0.187 0.000 1.994 303 L HA -0.228 4.112 4.340 0.000 0.000 0.208 303 L C 2.267 179.028 176.870 -0.181 0.000 1.071 303 L CA 2.300 56.964 54.840 -0.294 0.000 0.745 303 L CB -0.877 40.872 42.059 -0.517 0.000 0.892 303 L HN 0.301 nan 8.230 nan 0.000 0.431 304 H N -1.694 117.212 119.070 -0.273 0.000 2.495 304 H HA -0.041 4.515 4.556 0.000 0.000 0.287 304 H C 2.264 177.386 175.328 -0.343 0.000 1.033 304 H CA 0.793 56.628 56.048 -0.355 0.000 1.307 304 H CB 0.190 29.711 29.762 -0.402 0.000 1.401 304 H HN 0.564 nan 8.280 nan 0.000 0.555 305 S N 0.262 115.834 115.700 -0.212 0.000 2.439 305 S HA -0.062 4.408 4.470 0.000 0.000 0.224 305 S C 2.012 176.603 174.600 -0.015 0.000 1.029 305 S CA 0.055 58.171 58.200 -0.140 0.000 0.946 305 S CB 0.126 63.270 63.200 -0.093 0.000 0.797 305 S HN 0.271 nan 8.310 nan 0.000 0.504 306 R N 0.393 120.884 120.500 -0.015 0.000 2.081 306 R HA -0.002 4.338 4.340 0.000 0.000 0.235 306 R C 2.347 178.692 176.300 0.075 0.000 1.131 306 R CA 1.493 57.595 56.100 0.003 0.000 0.960 306 R CB -0.494 29.697 30.300 -0.183 0.000 0.856 306 R HN 0.497 nan 8.270 nan 0.000 0.436 307 L N 0.711 121.960 121.223 0.043 0.000 2.005 307 L HA -0.105 4.235 4.340 0.000 0.000 0.207 307 L C 1.929 178.740 176.870 -0.098 0.000 1.072 307 L CA 1.663 56.446 54.840 -0.095 0.000 0.744 307 L CB -0.264 41.475 42.059 -0.534 0.000 0.895 307 L HN 0.162 nan 8.230 nan 0.000 0.433 308 L N -0.577 120.577 121.223 -0.115 0.000 2.313 308 L HA -0.033 4.307 4.340 0.000 0.000 0.214 308 L C 2.091 178.958 176.870 -0.005 0.000 1.119 308 L CA 0.347 55.145 54.840 -0.071 0.000 0.809 308 L CB -0.460 41.528 42.059 -0.118 0.000 0.933 308 L HN 0.300 nan 8.230 nan 0.000 0.449 309 E N 0.257 120.463 120.200 0.010 0.000 2.511 309 E HA -0.093 4.257 4.350 0.000 0.000 0.196 309 E C 1.816 178.445 176.600 0.047 0.000 1.066 309 E CA 0.346 56.767 56.400 0.035 0.000 0.871 309 E CB 0.116 29.846 29.700 0.050 0.000 0.863 309 E HN 0.484 nan 8.360 nan 0.000 0.520 310 R N 0.561 121.093 120.500 0.054 0.000 2.200 310 R HA 0.129 4.469 4.340 0.000 0.000 0.208 310 R C 0.918 177.260 176.300 0.070 0.000 1.033 310 R CA 0.290 56.431 56.100 0.068 0.000 1.000 310 R CB 0.200 30.552 30.300 0.087 0.000 0.906 310 R HN -0.073 nan 8.270 nan 0.000 0.462 311 A N 1.415 124.278 122.820 0.070 0.000 2.492 311 A HA 0.541 4.861 4.320 0.000 0.000 0.254 311 A C -0.197 177.416 177.584 0.048 0.000 1.091 311 A CA 0.213 52.288 52.037 0.063 0.000 0.768 311 A CB 0.234 19.271 19.000 0.061 0.000 1.028 311 A HN 0.314 nan 8.150 nan 0.000 0.498 312 A N 2.418 125.266 122.820 0.046 0.000 2.605 312 A HA 0.663 4.984 4.320 0.000 0.000 0.294 312 A C -0.802 176.808 177.584 0.044 0.000 1.062 312 A CA -0.758 51.304 52.037 0.042 0.000 0.682 312 A CB 1.087 20.111 19.000 0.039 0.000 1.278 312 A HN 0.885 nan 8.150 nan 0.000 0.410 313 K N 1.861 122.289 120.400 0.047 0.000 2.293 313 K HA 0.683 5.003 4.320 0.000 0.000 0.267 313 K C -1.035 175.598 176.600 0.055 0.000 1.010 313 K CA -0.289 56.034 56.287 0.060 0.000 0.875 313 K CB 0.285 32.829 32.500 0.074 0.000 1.106 313 K HN 0.594 nan 8.250 nan 0.000 0.450 314 L N 2.946 124.196 121.223 0.045 0.000 2.439 314 L HA 0.338 4.678 4.340 0.000 0.000 0.261 314 L C 0.738 177.631 176.870 0.040 0.000 1.153 314 L CA -0.787 54.071 54.840 0.029 0.000 0.808 314 L CB 1.179 43.240 42.059 0.004 0.000 1.126 314 L HN 0.866 nan 8.230 nan 0.000 0.460 315 S N 0.064 115.778 115.700 0.023 0.000 2.598 315 S HA 0.018 4.488 4.470 0.000 0.000 0.256 315 S C 0.799 175.408 174.600 0.015 0.000 1.350 315 S CA -0.387 57.824 58.200 0.017 0.000 0.984 315 S CB 0.657 63.861 63.200 0.005 0.000 0.930 315 S HN 0.687 nan 8.310 nan 0.000 0.577 316 E N 0.400 120.605 120.200 0.009 0.000 2.106 316 E HA -0.151 4.199 4.350 0.000 0.000 0.192 316 E C 1.994 178.592 176.600 -0.003 0.000 0.984 316 E CA 0.951 57.355 56.400 0.007 0.000 0.806 316 E CB -0.161 29.540 29.700 0.000 0.000 0.750 316 E HN 0.729 nan 8.360 nan 0.000 0.458 317 K N 0.922 121.318 120.400 -0.006 0.000 2.152 317 K HA -0.168 4.152 4.320 0.000 0.000 0.206 317 K C 1.266 177.857 176.600 -0.016 0.000 1.048 317 K CA 1.118 57.399 56.287 -0.010 0.000 0.933 317 K CB 0.227 32.722 32.500 -0.009 0.000 0.721 317 K HN -0.008 nan 8.250 nan 0.000 0.447 318 E N -0.974 119.216 120.200 -0.017 0.000 2.476 318 E HA 0.068 4.418 4.350 0.000 0.000 0.196 318 E C 0.563 177.138 176.600 -0.042 0.000 1.029 318 E CA 0.577 56.960 56.400 -0.029 0.000 0.896 318 E CB 1.166 30.852 29.700 -0.024 0.000 1.012 318 E HN 0.564 nan 8.360 nan 0.000 0.475 319 G N 1.413 110.194 108.800 -0.032 0.000 2.144 319 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 319 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 319 G C 0.520 175.401 174.900 -0.032 0.000 0.988 319 G CA 0.166 45.242 45.100 -0.041 0.000 0.659 319 G HN 0.125 nan 8.290 nan 0.000 0.522 320 S N -1.739 113.959 115.700 -0.003 0.000 3.445 320 S HA -0.156 4.314 4.470 0.000 0.000 0.319 320 S C 1.670 176.272 174.600 0.004 0.000 1.209 320 S CA 1.543 59.767 58.200 0.040 0.000 0.934 320 S CB -1.569 61.684 63.200 0.089 0.000 0.999 320 S HN 2.246 nan 8.310 nan 0.000 0.582 321 G N 1.218 109.971 108.800 -0.078 0.000 2.554 321 G HA2 0.446 4.406 3.960 0.000 0.000 0.238 321 G HA3 0.446 4.406 3.960 0.000 0.000 0.238 321 G C -0.100 174.752 174.900 -0.080 0.000 1.259 321 G CA 0.472 45.467 45.100 -0.175 0.000 0.843 321 G HN 1.010 nan 8.290 nan 0.000 0.582 322 S N 0.312 115.951 115.700 -0.102 0.000 2.541 322 S HA 0.646 5.116 4.470 0.000 0.000 0.280 322 S C -1.290 173.355 174.600 0.075 0.000 1.112 322 S CA -0.822 57.423 58.200 0.076 0.000 0.925 322 S CB 1.852 65.236 63.200 0.306 0.000 1.067 322 S HN 1.013 nan 8.310 nan 0.000 0.479 323 L N 3.023 124.290 121.223 0.072 0.000 2.409 323 L HA 0.757 5.097 4.340 0.000 0.000 0.272 323 L C -0.892 176.005 176.870 0.046 0.000 0.980 323 L CA 0.204 55.087 54.840 0.072 0.000 0.826 323 L CB 2.066 44.174 42.059 0.082 0.000 1.268 323 L HN 0.829 nan 8.230 nan 0.000 0.407 324 T N 4.301 118.870 114.554 0.025 0.000 2.792 324 T HA 0.841 5.191 4.350 0.000 0.000 0.280 324 T C -0.479 174.209 174.700 -0.019 0.000 0.990 324 T CA -0.296 61.805 62.100 0.000 0.000 0.960 324 T CB 1.481 70.337 68.868 -0.021 0.000 0.939 324 T HN 0.817 nan 8.240 nan 0.000 0.439 325 A N 3.589 126.406 122.820 -0.006 0.000 2.303 325 A HA 0.739 5.059 4.320 0.000 0.000 0.320 325 A C -0.329 177.243 177.584 -0.021 0.000 1.192 325 A CA -0.723 51.303 52.037 -0.018 0.000 0.821 325 A CB 0.407 19.468 19.000 0.101 0.000 1.188 325 A HN 0.884 nan 8.150 nan 0.000 0.492 326 L N 4.940 126.124 121.223 -0.066 0.000 2.426 326 L HA 0.310 4.650 4.340 0.000 0.000 0.255 326 L C -2.221 174.635 176.870 -0.023 0.000 1.080 326 L CA -1.774 53.044 54.840 -0.037 0.000 0.960 326 L CB 0.985 43.020 42.059 -0.039 0.000 1.326 326 L HN 0.490 nan 8.230 nan 0.000 0.441 327 P HA 0.106 nan 4.420 nan 0.000 0.271 327 P C -0.445 176.852 177.300 -0.005 0.000 1.218 327 P CA -0.118 63.032 63.100 0.084 0.000 0.780 327 P CB 1.762 33.464 31.700 0.003 0.000 0.901 328 V N 3.973 123.877 119.914 -0.017 0.000 2.435 328 V HA 0.397 4.517 4.120 0.000 0.000 0.290 328 V C 0.427 176.492 176.094 -0.049 0.000 1.030 328 V CA -0.556 61.727 62.300 -0.028 0.000 0.881 328 V CB 1.506 33.319 31.823 -0.016 0.000 0.983 328 V HN 0.405 nan 8.190 nan 0.000 0.445 329 I N 3.383 123.931 120.570 -0.035 0.000 2.498 329 I HA 0.429 4.599 4.170 0.000 0.000 0.290 329 I C -0.046 176.070 176.117 -0.002 0.000 1.032 329 I CA -0.394 60.889 61.300 -0.028 0.000 1.073 329 I CB 2.117 40.096 38.000 -0.036 0.000 1.251 329 I HN 0.779 nan 8.210 nan 0.000 0.426 330 E N 5.181 125.387 120.200 0.011 0.000 2.081 330 E HA 0.331 4.681 4.350 0.000 0.000 0.276 330 E C -0.329 176.294 176.600 0.039 0.000 0.950 330 E CA -0.394 56.016 56.400 0.017 0.000 0.776 330 E CB 1.040 30.753 29.700 0.022 0.000 1.094 330 E HN 0.717 nan 8.360 nan 0.000 0.402 331 T N 2.014 116.596 114.554 0.046 0.000 2.816 331 T HA 0.245 4.595 4.350 0.000 0.000 0.282 331 T C 0.103 174.843 174.700 0.066 0.000 0.993 331 T CA -0.832 61.314 62.100 0.077 0.000 0.994 331 T CB 1.255 70.201 68.868 0.130 0.000 1.025 331 T HN 0.368 nan 8.240 nan 0.000 0.529 332 Q N 0.503 120.350 119.800 0.079 0.000 2.401 332 Q HA 0.445 4.785 4.340 0.000 0.000 0.260 332 Q C 0.677 176.721 176.000 0.074 0.000 1.034 332 Q CA -0.071 55.774 55.803 0.070 0.000 0.737 332 Q CB 1.113 29.895 28.738 0.074 0.000 1.227 332 Q HN 1.334 nan 8.270 nan 0.000 0.488 333 G N 1.425 110.266 108.800 0.068 0.000 2.246 333 G HA2 -0.233 3.727 3.960 0.000 0.000 0.273 333 G HA3 -0.233 3.727 3.960 0.000 0.000 0.273 333 G C 0.788 175.746 174.900 0.097 0.000 1.055 333 G CA 0.699 45.843 45.100 0.073 0.000 0.851 333 G HN 1.211 nan 8.290 nan 0.000 0.500 334 G N -0.771 108.104 108.800 0.126 0.000 2.168 334 G HA2 -0.244 3.716 3.960 0.000 0.000 0.257 334 G HA3 -0.244 3.716 3.960 0.000 0.000 0.257 334 G C 0.260 175.261 174.900 0.169 0.000 0.997 334 G CA 1.047 46.270 45.100 0.206 0.000 0.708 334 G HN 1.473 nan 8.290 nan 0.000 0.520 335 D N 0.504 120.978 120.400 0.123 0.000 2.402 335 D HA 0.389 5.029 4.640 0.000 0.000 0.235 335 D C 1.741 178.098 176.300 0.096 0.000 1.226 335 D CA 0.228 54.285 54.000 0.094 0.000 0.918 335 D CB 0.618 41.468 40.800 0.083 0.000 1.043 335 D HN 0.527 nan 8.370 nan 0.000 0.506 336 V N 1.170 121.130 119.914 0.075 0.000 3.573 336 V HA 0.078 4.198 4.120 0.000 0.000 0.270 336 V C 1.364 177.486 176.094 0.048 0.000 1.221 336 V CA 0.437 62.773 62.300 0.060 0.000 1.163 336 V CB -0.092 31.732 31.823 0.002 0.000 0.847 336 V HN 0.311 nan 8.190 nan 0.000 0.468 337 S N 0.368 116.102 115.700 0.056 0.000 2.540 337 S HA 0.589 5.059 4.470 0.000 0.000 0.218 337 S C 1.224 175.882 174.600 0.097 0.000 0.977 337 S CA 0.278 58.517 58.200 0.065 0.000 0.918 337 S CB 0.180 63.411 63.200 0.052 0.000 0.806 337 S HN 0.828 nan 8.310 nan 0.000 0.496 338 A N 0.631 123.512 122.820 0.103 0.000 2.448 338 A HA 0.320 4.640 4.320 0.000 0.000 0.239 338 A C 0.862 178.547 177.584 0.169 0.000 1.080 338 A CA -0.106 52.014 52.037 0.138 0.000 0.779 338 A CB -0.135 18.942 19.000 0.128 0.000 1.026 338 A HN 0.347 nan 8.150 nan 0.000 0.499 339 Y N 1.460 121.787 120.300 0.045 0.000 2.014 339 Y HA -0.256 4.294 4.550 0.000 0.000 0.270 339 Y C 2.015 177.894 175.900 -0.034 0.000 1.145 339 Y CA 2.463 60.569 58.100 0.011 0.000 1.106 339 Y CB -0.260 38.206 38.460 0.009 0.000 0.968 339 Y HN 0.525 nan 8.280 nan 0.000 0.484 340 I N 0.380 120.819 120.570 -0.219 0.000 2.208 340 I HA -0.211 3.959 4.170 0.000 0.000 0.245 340 I C -0.493 175.545 176.117 -0.132 0.000 1.097 340 I CA 1.400 62.538 61.300 -0.270 0.000 1.363 340 I CB -2.864 35.010 38.000 -0.210 0.000 1.051 340 I HN 0.222 nan 8.210 nan 0.000 0.413 341 P HA -0.075 nan 4.420 nan 0.000 0.216 341 P C 1.831 179.118 177.300 -0.022 0.000 1.153 341 P CA 1.602 64.691 63.100 -0.018 0.000 0.848 341 P CB -0.184 31.538 31.700 0.035 0.000 0.787 342 T N -0.306 114.245 114.554 -0.006 0.000 2.665 342 T HA -0.186 4.164 4.350 0.000 0.000 0.268 342 T C 1.625 176.333 174.700 0.013 0.000 1.035 342 T CA 1.694 63.806 62.100 0.020 0.000 1.151 342 T CB -1.094 67.813 68.868 0.066 0.000 0.862 342 T HN 0.108 nan 8.240 nan 0.000 0.438 343 N N 0.935 119.598 118.700 -0.061 0.000 2.007 343 N HA -0.097 4.643 4.740 0.000 0.000 0.197 343 N C 2.000 177.436 175.510 -0.122 0.000 1.050 343 N CA 1.135 54.162 53.050 -0.039 0.000 0.856 343 N CB -0.992 37.360 38.487 -0.226 0.000 1.050 343 N HN 0.229 nan 8.380 nan 0.000 0.423 344 V N 1.565 121.385 119.914 -0.155 0.000 2.515 344 V HA -0.105 4.015 4.120 0.000 0.000 0.250 344 V C 2.270 178.303 176.094 -0.102 0.000 1.058 344 V CA 0.915 63.104 62.300 -0.186 0.000 1.064 344 V CB -0.426 31.251 31.823 -0.243 0.000 0.675 344 V HN 0.243 nan 8.190 nan 0.000 0.461 345 I N 1.245 121.786 120.570 -0.048 0.000 2.163 345 I HA -0.257 3.913 4.170 0.000 0.000 0.243 345 I C 2.679 178.800 176.117 0.007 0.000 1.085 345 I CA 2.060 63.353 61.300 -0.012 0.000 1.347 345 I CB -0.444 37.559 38.000 0.004 0.000 1.044 345 I HN 0.511 nan 8.210 nan 0.000 0.408 346 S N 0.749 116.474 115.700 0.040 0.000 2.436 346 S HA -0.029 4.441 4.470 0.000 0.000 0.228 346 S C 1.939 176.585 174.600 0.077 0.000 1.014 346 S CA 0.483 58.734 58.200 0.084 0.000 0.950 346 S CB -0.573 62.720 63.200 0.156 0.000 0.784 346 S HN 0.395 nan 8.310 nan 0.000 0.504 347 I N 2.456 123.031 120.570 0.009 0.000 2.202 347 I HA -0.082 4.089 4.170 0.000 0.000 0.242 347 I C 1.801 177.904 176.117 -0.023 0.000 1.091 347 I CA 1.118 62.392 61.300 -0.042 0.000 1.368 347 I CB -1.079 36.795 38.000 -0.211 0.000 1.058 347 I HN 0.456 nan 8.210 nan 0.000 0.410 348 T N -1.768 112.765 114.554 -0.036 0.000 2.754 348 T HA 0.056 4.406 4.350 0.000 0.000 0.286 348 T C 0.576 175.275 174.700 -0.001 0.000 0.997 348 T CA -0.481 61.605 62.100 -0.023 0.000 0.982 348 T CB 0.716 69.566 68.868 -0.030 0.000 1.027 348 T HN 0.084 nan 8.240 nan 0.000 0.529 349 D N -0.022 120.379 120.400 0.002 0.000 2.339 349 D HA 0.322 4.962 4.640 0.000 0.000 0.217 349 D C 0.969 177.273 176.300 0.007 0.000 1.050 349 D CA 0.516 54.520 54.000 0.007 0.000 0.856 349 D CB 0.178 40.982 40.800 0.007 0.000 0.922 349 D HN 0.907 nan 8.370 nan 0.000 0.518 350 G N 0.727 109.531 108.800 0.006 0.000 2.328 350 G HA2 0.294 4.254 3.960 0.000 0.000 0.299 350 G HA3 0.294 4.254 3.960 0.000 0.000 0.299 350 G C -1.929 172.981 174.900 0.017 0.000 1.435 350 G CA -0.924 44.182 45.100 0.011 0.000 0.865 350 G HN 0.081 nan 8.290 nan 0.000 0.601 351 Q N -0.412 119.406 119.800 0.030 0.000 2.356 351 Q HA 0.745 5.085 4.340 0.000 0.000 0.270 351 Q C -1.271 174.774 176.000 0.075 0.000 1.058 351 Q CA -1.050 54.785 55.803 0.054 0.000 0.802 351 Q CB 2.261 31.039 28.738 0.067 0.000 1.303 351 Q HN 0.532 nan 8.270 nan 0.000 0.444 352 I N 3.920 124.537 120.570 0.079 0.000 2.307 352 I HA 0.303 4.473 4.170 0.000 0.000 0.289 352 I C -1.014 175.182 176.117 0.132 0.000 1.021 352 I CA -0.723 60.629 61.300 0.087 0.000 1.224 352 I CB 0.565 38.590 38.000 0.041 0.000 1.376 352 I HN 0.628 nan 8.210 nan 0.000 0.470 353 F N 8.091 128.042 119.950 0.002 0.000 2.404 353 F HA 0.540 5.067 4.527 0.000 0.000 0.354 353 F C -0.716 175.088 175.800 0.007 0.000 1.122 353 F CA -0.480 57.523 58.000 0.004 0.000 1.080 353 F CB 0.729 39.732 39.000 0.006 0.000 1.131 353 F HN 0.220 nan 8.300 nan 0.000 0.471 354 L N 5.640 126.529 121.223 -0.557 0.000 2.317 354 L HA 0.514 4.854 4.340 0.000 0.000 0.281 354 L C -0.516 175.994 176.870 -0.600 0.000 1.024 354 L CA -0.611 53.985 54.840 -0.407 0.000 0.810 354 L CB 1.746 43.673 42.059 -0.219 0.000 1.240 354 L HN 0.552 nan 8.230 nan 0.000 0.427 355 E N 0.565 120.582 120.200 -0.305 0.000 2.248 355 E HA 0.428 4.778 4.350 0.000 0.000 0.267 355 E C 0.126 176.635 176.600 -0.152 0.000 0.877 355 E CA -0.404 55.865 56.400 -0.218 0.000 0.759 355 E CB 2.269 31.945 29.700 -0.041 0.000 1.182 355 E HN 0.717 nan 8.360 nan 0.000 0.418 356 A N 3.326 126.057 122.820 -0.148 0.000 1.859 356 A HA -0.250 4.070 4.320 0.000 0.000 0.217 356 A C 1.722 179.107 177.584 -0.332 0.000 1.198 356 A CA 1.699 53.598 52.037 -0.230 0.000 0.629 356 A CB -0.387 18.603 19.000 -0.016 0.000 0.830 356 A HN 0.801 nan 8.150 nan 0.000 0.446 357 E N -0.398 119.767 120.200 -0.059 0.000 2.130 357 E HA -0.203 4.147 4.350 0.000 0.000 0.196 357 E C 1.965 178.559 176.600 -0.010 0.000 0.998 357 E CA 1.386 57.810 56.400 0.039 0.000 0.806 357 E CB -0.320 29.429 29.700 0.081 0.000 0.738 357 E HN 0.686 nan 8.360 nan 0.000 0.459 358 L N -0.385 120.813 121.223 -0.042 0.000 2.156 358 L HA -0.126 4.214 4.340 0.000 0.000 0.208 358 L C 2.370 179.201 176.870 -0.066 0.000 1.095 358 L CA 0.562 55.385 54.840 -0.028 0.000 0.770 358 L CB -0.451 41.598 42.059 -0.018 0.000 0.914 358 L HN 0.098 nan 8.230 nan 0.000 0.439 359 F N 0.789 120.550 119.950 -0.315 0.000 2.102 359 F HA -0.245 4.282 4.527 0.000 0.000 0.298 359 F C 2.265 177.924 175.800 -0.234 0.000 1.105 359 F CA 1.549 59.339 58.000 -0.350 0.000 1.239 359 F CB -0.324 38.343 39.000 -0.555 0.000 0.991 359 F HN -0.016 nan 8.300 nan 0.000 0.474 360 Y N -0.484 120.000 120.300 0.308 0.000 2.583 360 Y HA 0.077 4.627 4.550 0.000 0.000 0.293 360 Y C 1.995 177.957 175.900 0.103 0.000 1.157 360 Y CA 0.191 58.411 58.100 0.201 0.000 1.315 360 Y CB -1.067 37.476 38.460 0.138 0.000 1.021 360 Y HN -0.004 nan 8.280 nan 0.000 0.536 361 K N -0.255 120.233 120.400 0.146 0.000 2.459 361 K HA 0.118 4.438 4.320 0.000 0.000 0.193 361 K C 1.384 178.009 176.600 0.041 0.000 1.030 361 K CA 0.727 57.067 56.287 0.087 0.000 1.026 361 K CB -0.142 32.394 32.500 0.060 0.000 0.809 361 K HN 0.515 nan 8.250 nan 0.000 0.504 362 G N 1.532 110.332 108.800 0.001 0.000 2.175 362 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 362 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 362 G C 0.212 175.044 174.900 -0.113 0.000 0.982 362 G CA -0.265 44.801 45.100 -0.057 0.000 0.641 362 G HN 0.239 nan 8.290 nan 0.000 0.527 363 I N 1.588 122.095 120.570 -0.105 0.000 2.421 363 I HA 0.404 4.574 4.170 0.000 0.000 0.291 363 I C 0.647 176.630 176.117 -0.223 0.000 1.089 363 I CA 0.179 61.414 61.300 -0.109 0.000 1.354 363 I CB 0.449 38.423 38.000 -0.043 0.000 1.413 363 I HN 0.090 nan 8.210 nan 0.000 0.513 364 R N 7.384 127.743 120.500 -0.236 0.000 2.515 364 R HA 0.340 4.680 4.340 0.000 0.000 0.278 364 R C -2.747 173.439 176.300 -0.189 0.000 1.107 364 R CA -1.687 54.217 56.100 -0.326 0.000 0.945 364 R CB 2.130 32.101 30.300 -0.548 0.000 1.219 364 R HN 0.278 nan 8.270 nan 0.000 0.434 365 P HA -0.010 nan 4.420 nan 0.000 0.268 365 P C -0.309 176.928 177.300 -0.104 0.000 1.204 365 P CA -0.055 62.970 63.100 -0.125 0.000 0.768 365 P CB 0.885 32.541 31.700 -0.072 0.000 0.842 366 A N 5.327 128.090 122.820 -0.096 0.000 3.029 366 A HA 0.176 4.496 4.320 0.000 0.000 0.251 366 A C 0.799 178.361 177.584 -0.038 0.000 1.749 366 A CA -0.381 51.614 52.037 -0.071 0.000 1.386 366 A CB -1.369 17.611 19.000 -0.033 0.000 1.043 366 A HN 0.483 nan 8.150 nan 0.000 0.638 367 I N 1.279 121.839 120.570 -0.017 0.000 2.396 367 I HA 0.021 4.191 4.170 0.000 0.000 0.289 367 I C 0.497 176.652 176.117 0.064 0.000 1.056 367 I CA -0.412 60.900 61.300 0.020 0.000 1.365 367 I CB 0.577 38.591 38.000 0.022 0.000 1.407 367 I HN 0.391 nan 8.210 nan 0.000 0.509 368 N N 6.828 125.607 118.700 0.131 0.000 2.421 368 N HA 0.042 4.782 4.740 0.000 0.000 0.260 368 N C 0.803 176.392 175.510 0.132 0.000 1.173 368 N CA 0.041 53.195 53.050 0.173 0.000 0.960 368 N CB 1.195 39.880 38.487 0.330 0.000 1.273 368 N HN 0.432 nan 8.380 nan 0.000 0.497 369 V N 3.630 123.600 119.914 0.093 0.000 2.392 369 V HA -0.183 3.937 4.120 0.000 0.000 0.249 369 V C 2.407 178.539 176.094 0.063 0.000 1.059 369 V CA 2.213 64.558 62.300 0.075 0.000 1.051 369 V CB -0.921 30.947 31.823 0.076 0.000 0.658 369 V HN 0.727 nan 8.190 nan 0.000 0.455 370 G N -0.358 108.478 108.800 0.060 0.000 2.442 370 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 370 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 370 G C 1.452 176.360 174.900 0.013 0.000 1.141 370 G CA 0.883 46.004 45.100 0.035 0.000 0.763 370 G HN 0.512 nan 8.290 nan 0.000 0.554 371 L N 0.693 121.925 121.223 0.015 0.000 2.616 371 L HA 0.230 4.570 4.340 0.000 0.000 0.229 371 L C 0.593 177.465 176.870 0.004 0.000 1.110 371 L CA -0.256 54.559 54.840 -0.042 0.000 0.884 371 L CB 0.378 42.330 42.059 -0.179 0.000 1.115 371 L HN 0.016 nan 8.230 nan 0.000 0.481 372 S N 0.558 116.292 115.700 0.056 0.000 2.562 372 S HA 0.554 5.024 4.470 0.000 0.000 0.275 372 S C -0.162 174.460 174.600 0.035 0.000 1.281 372 S CA -0.516 57.724 58.200 0.067 0.000 1.045 372 S CB 1.880 65.130 63.200 0.084 0.000 0.962 372 S HN 0.049 nan 8.310 nan 0.000 0.503 373 V N -0.083 119.849 119.914 0.030 0.000 3.012 373 V HA 0.801 4.921 4.120 0.000 0.000 0.307 373 V C -0.462 175.642 176.094 0.017 0.000 1.166 373 V CA -0.924 61.387 62.300 0.018 0.000 0.974 373 V CB 1.784 33.612 31.823 0.009 0.000 1.040 373 V HN 0.725 nan 8.190 nan 0.000 0.428 374 S N 1.755 117.462 115.700 0.011 0.000 2.530 374 S HA 0.506 4.976 4.470 0.000 0.000 0.322 374 S C 0.551 175.154 174.600 0.005 0.000 1.085 374 S CA -0.718 57.486 58.200 0.007 0.000 1.096 374 S CB 1.392 64.594 63.200 0.004 0.000 0.988 374 S HN 0.782 nan 8.310 nan 0.000 0.466 375 R N 3.082 123.585 120.500 0.006 0.000 2.275 375 R HA 0.072 4.412 4.340 0.000 0.000 0.199 375 R C 1.494 177.797 176.300 0.006 0.000 0.989 375 R CA 0.605 56.709 56.100 0.006 0.000 1.016 375 R CB -0.106 30.199 30.300 0.008 0.000 0.918 375 R HN 0.570 nan 8.270 nan 0.000 0.473 376 V N 0.053 119.969 119.914 0.005 0.000 2.283 376 V HA -0.040 4.080 4.120 0.000 0.000 0.243 376 V C 1.780 177.875 176.094 0.002 0.000 1.039 376 V CA 1.689 63.991 62.300 0.004 0.000 1.016 376 V CB -0.798 31.026 31.823 0.001 0.000 0.650 376 V HN 0.663 nan 8.190 nan 0.000 0.449 377 G N 0.205 109.005 108.800 -0.001 0.000 2.622 377 G HA2 -0.413 3.547 3.960 0.000 0.000 0.307 377 G HA3 -0.413 3.547 3.960 0.000 0.000 0.307 377 G C 1.180 176.078 174.900 -0.004 0.000 1.226 377 G CA 0.794 45.893 45.100 -0.002 0.000 0.997 377 G HN 0.382 nan 8.290 nan 0.000 0.551 378 S N 0.643 116.342 115.700 -0.002 0.000 2.380 378 S HA -0.119 4.351 4.470 0.000 0.000 0.229 378 S C 2.796 177.396 174.600 -0.001 0.000 1.043 378 S CA 2.704 60.903 58.200 -0.002 0.000 1.038 378 S CB -0.747 62.452 63.200 -0.002 0.000 0.872 378 S HN 1.728 nan 8.310 nan 0.000 0.456 379 A N 0.382 123.205 122.820 0.005 0.000 2.125 379 A HA 0.227 4.547 4.320 0.000 0.000 0.219 379 A C 1.959 179.544 177.584 0.003 0.000 1.156 379 A CA 1.489 53.535 52.037 0.015 0.000 0.671 379 A CB -0.489 18.528 19.000 0.028 0.000 0.794 379 A HN 0.530 nan 8.150 nan 0.000 0.459 380 A N -1.617 121.193 122.820 -0.016 0.000 2.348 380 A HA 0.313 4.633 4.320 0.000 0.000 0.224 380 A C 0.891 178.444 177.584 -0.052 0.000 1.227 380 A CA 0.118 52.128 52.037 -0.045 0.000 0.885 380 A CB -0.043 18.932 19.000 -0.041 0.000 0.933 380 A HN 0.545 nan 8.150 nan 0.000 0.506 381 Q N 0.547 120.328 119.800 -0.032 0.000 2.241 381 Q HA 0.494 4.834 4.340 0.000 0.000 0.254 381 Q C -0.909 175.075 176.000 -0.026 0.000 0.917 381 Q CA -0.552 55.236 55.803 -0.026 0.000 0.919 381 Q CB 1.516 30.248 28.738 -0.011 0.000 1.237 381 Q HN 0.153 nan 8.270 nan 0.000 0.434 382 V N 5.257 125.154 119.914 -0.028 0.000 2.557 382 V HA -0.137 3.983 4.120 0.000 0.000 0.301 382 V C 1.544 177.635 176.094 -0.005 0.000 1.026 382 V CA 0.635 62.922 62.300 -0.021 0.000 1.137 382 V CB 0.554 32.370 31.823 -0.011 0.000 0.917 382 V HN 0.930 nan 8.190 nan 0.000 0.484 383 K N 4.545 124.943 120.400 -0.003 0.000 2.044 383 K HA -0.256 4.064 4.320 0.000 0.000 0.210 383 K C 2.118 178.726 176.600 0.013 0.000 1.049 383 K CA 1.875 58.165 56.287 0.005 0.000 0.927 383 K CB -0.249 32.254 32.500 0.005 0.000 0.713 383 K HN 0.849 nan 8.250 nan 0.000 0.443 384 A N 1.301 124.129 122.820 0.014 0.000 1.873 384 A HA -0.220 4.100 4.320 0.000 0.000 0.218 384 A C 2.066 179.670 177.584 0.033 0.000 1.193 384 A CA 1.769 53.819 52.037 0.021 0.000 0.629 384 A CB -0.809 18.199 19.000 0.014 0.000 0.826 384 A HN 0.404 nan 8.150 nan 0.000 0.447 385 L N -0.027 121.213 121.223 0.029 0.000 2.046 385 L HA -0.145 4.195 4.340 0.000 0.000 0.208 385 L C 2.321 179.212 176.870 0.036 0.000 1.077 385 L CA 2.583 57.445 54.840 0.037 0.000 0.747 385 L CB -0.653 41.423 42.059 0.028 0.000 0.896 385 L HN 0.498 nan 8.230 nan 0.000 0.432 386 K N -0.842 119.572 120.400 0.023 0.000 2.063 386 K HA -0.240 4.080 4.320 0.000 0.000 0.208 386 K C 2.042 178.655 176.600 0.022 0.000 1.048 386 K CA 1.895 58.192 56.287 0.016 0.000 0.928 386 K CB -0.097 32.408 32.500 0.008 0.000 0.713 386 K HN 0.514 nan 8.250 nan 0.000 0.442 387 Q N 0.153 119.973 119.800 0.033 0.000 2.061 387 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 387 Q C 2.129 178.167 176.000 0.063 0.000 0.984 387 Q CA 2.170 57.999 55.803 0.044 0.000 0.846 387 Q CB -0.153 28.617 28.738 0.054 0.000 0.902 387 Q HN 0.370 nan 8.270 nan 0.000 0.421 388 V N -2.502 117.467 119.914 0.093 0.000 2.591 388 V HA -0.005 4.115 4.120 0.000 0.000 0.249 388 V C 2.093 178.227 176.094 0.066 0.000 1.053 388 V CA 1.362 63.736 62.300 0.125 0.000 1.068 388 V CB -1.057 30.885 31.823 0.198 0.000 0.689 388 V HN 0.270 nan 8.190 nan 0.000 0.462 389 A N 1.104 123.951 122.820 0.045 0.000 1.930 389 A HA 0.194 4.514 4.320 0.000 0.000 0.217 389 A C 2.440 180.007 177.584 -0.029 0.000 1.175 389 A CA 1.885 53.934 52.037 0.020 0.000 0.627 389 A CB -1.483 17.529 19.000 0.020 0.000 0.815 389 A HN 0.955 nan 8.150 nan 0.000 0.443 390 G N 0.539 109.318 108.800 -0.034 0.000 3.534 390 G HA2 -0.540 3.420 3.960 0.000 0.000 0.278 390 G HA3 -0.540 3.420 3.960 0.000 0.000 0.278 390 G C 1.950 176.771 174.900 -0.131 0.000 0.991 390 G CA 3.533 48.590 45.100 -0.072 0.000 0.904 390 G HN 1.383 nan 8.290 nan 0.000 1.258 391 S N 0.323 115.879 115.700 -0.240 0.000 2.368 391 S HA -0.084 4.386 4.470 0.000 0.000 0.225 391 S C 2.336 176.718 174.600 -0.364 0.000 1.030 391 S CA 1.918 59.871 58.200 -0.412 0.000 0.999 391 S CB -0.483 62.213 63.200 -0.839 0.000 0.844 391 S HN 1.010 nan 8.310 nan 0.000 0.459 392 L N 1.990 123.056 121.223 -0.263 0.000 2.201 392 L HA -0.332 4.008 4.340 0.000 0.000 0.233 392 L C 2.401 179.279 176.870 0.014 0.000 1.115 392 L CA 2.621 57.432 54.840 -0.048 0.000 0.840 392 L CB -1.142 40.935 42.059 0.031 0.000 0.924 392 L HN 0.451 nan 8.230 nan 0.000 0.450 393 K N -1.177 119.213 120.400 -0.016 0.000 2.057 393 K HA -0.198 4.122 4.320 0.000 0.000 0.207 393 K C 2.021 178.634 176.600 0.022 0.000 1.049 393 K CA 1.787 58.083 56.287 0.015 0.000 0.931 393 K CB -0.560 31.940 32.500 -0.000 0.000 0.714 393 K HN 0.388 nan 8.250 nan 0.000 0.440 394 L N -0.045 121.156 121.223 -0.036 0.000 1.956 394 L HA -0.168 4.172 4.340 0.000 0.000 0.216 394 L C 1.850 178.778 176.870 0.097 0.000 1.073 394 L CA 1.824 56.649 54.840 -0.024 0.000 0.762 394 L CB -0.716 41.267 42.059 -0.128 0.000 0.889 394 L HN 0.128 nan 8.230 nan 0.000 0.433 395 F N 0.006 119.965 119.950 0.016 0.000 2.027 395 F HA -0.297 4.230 4.527 0.000 0.000 0.297 395 F C 2.482 178.316 175.800 0.056 0.000 1.129 395 F CA 1.880 59.890 58.000 0.017 0.000 1.195 395 F CB -1.403 37.589 39.000 -0.013 0.000 0.960 395 F HN 0.067 nan 8.300 nan 0.000 0.485 396 L N -0.633 120.761 121.223 0.285 0.000 2.081 396 L HA -0.277 4.063 4.340 0.000 0.000 0.212 396 L C 2.620 179.621 176.870 0.219 0.000 1.080 396 L CA 1.298 56.278 54.840 0.234 0.000 0.754 396 L CB -1.006 41.155 42.059 0.169 0.000 0.893 396 L HN 0.186 nan 8.230 nan 0.000 0.433 397 A N -0.570 122.342 122.820 0.153 0.000 1.902 397 A HA -0.240 4.080 4.320 0.000 0.000 0.217 397 A C 2.163 179.812 177.584 0.109 0.000 1.181 397 A CA 1.492 53.592 52.037 0.105 0.000 0.623 397 A CB -0.415 18.626 19.000 0.068 0.000 0.818 397 A HN 0.500 nan 8.150 nan 0.000 0.443 398 Q N -2.268 117.618 119.800 0.145 0.000 2.369 398 Q HA -0.100 4.240 4.340 0.000 0.000 0.206 398 Q C 1.759 177.859 176.000 0.167 0.000 0.963 398 Q CA 1.015 56.899 55.803 0.135 0.000 0.894 398 Q CB -0.191 28.639 28.738 0.153 0.000 0.965 398 Q HN 0.825 nan 8.270 nan 0.000 0.475 399 Y N 1.645 121.974 120.300 0.047 0.000 2.109 399 Y HA -0.131 4.419 4.550 0.000 0.000 0.281 399 Y C 1.933 177.844 175.900 0.018 0.000 1.113 399 Y CA 1.486 59.599 58.100 0.021 0.000 1.098 399 Y CB -0.175 38.298 38.460 0.021 0.000 0.996 399 Y HN -0.148 nan 8.280 nan 0.000 0.485 400 R N 0.477 120.906 120.500 -0.119 0.000 2.170 400 R HA -0.192 4.148 4.340 0.000 0.000 0.242 400 R C 2.155 178.378 176.300 -0.128 0.000 1.145 400 R CA 1.595 57.565 56.100 -0.217 0.000 0.984 400 R CB -0.388 29.870 30.300 -0.071 0.000 0.869 400 R HN 0.535 nan 8.270 nan 0.000 0.455 401 E N 0.202 120.375 120.200 -0.046 0.000 2.118 401 E HA -0.167 4.183 4.350 0.000 0.000 0.195 401 E C 1.716 178.292 176.600 -0.040 0.000 0.992 401 E CA 1.492 57.877 56.400 -0.023 0.000 0.804 401 E CB 0.176 29.884 29.700 0.014 0.000 0.741 401 E HN 0.170 nan 8.360 nan 0.000 0.458 402 V N 0.385 120.268 119.914 -0.052 0.000 3.174 402 V HA -0.005 4.115 4.120 0.000 0.000 0.254 402 V C 2.126 178.164 176.094 -0.093 0.000 1.120 402 V CA 0.848 63.121 62.300 -0.045 0.000 1.114 402 V CB -0.067 31.756 31.823 0.001 0.000 0.756 402 V HN 0.252 nan 8.190 nan 0.000 0.467 403 A N 1.136 123.838 122.820 -0.197 0.000 2.016 403 A HA -0.384 3.936 4.320 0.000 0.000 0.225 403 A C 2.419 179.932 177.584 -0.119 0.000 1.230 403 A CA 2.826 54.719 52.037 -0.240 0.000 0.678 403 A CB -0.894 17.923 19.000 -0.305 0.000 0.826 403 A HN 0.666 nan 8.150 nan 0.000 0.484 404 A N -0.930 121.841 122.820 -0.081 0.000 1.865 404 A HA -0.106 4.214 4.320 0.000 0.000 0.217 404 A C 2.418 179.982 177.584 -0.033 0.000 1.191 404 A CA 2.290 54.298 52.037 -0.047 0.000 0.623 404 A CB -1.089 17.890 19.000 -0.034 0.000 0.826 404 A HN 0.617 nan 8.150 nan 0.000 0.444 405 S N 0.120 115.803 115.700 -0.028 0.000 2.419 405 S HA 0.163 4.633 4.470 0.000 0.000 0.235 405 S C 1.327 175.920 174.600 -0.011 0.000 1.019 405 S CA 0.521 58.712 58.200 -0.016 0.000 0.982 405 S CB -0.706 62.488 63.200 -0.011 0.000 0.789 405 S HN 0.856 nan 8.310 nan 0.000 0.490 411 D N 1.374 121.773 120.400 -0.003 0.000 2.861 411 D HA 0.548 5.188 4.640 0.000 0.000 0.357 411 D C -1.044 175.254 176.300 -0.003 0.000 1.250 411 D CA 0.108 54.106 54.000 -0.003 0.000 0.802 411 D CB 0.728 41.526 40.800 -0.003 0.000 1.141 411 D HN 0.440 nan 8.370 nan 0.000 0.489 412 L N 1.221 122.442 121.223 -0.003 0.000 2.385 412 L HA 0.412 4.752 4.340 0.000 0.000 0.273 412 L C 0.157 177.024 176.870 -0.004 0.000 0.990 412 L CA -1.325 53.514 54.840 -0.002 0.000 0.821 412 L CB 1.624 43.683 42.059 -0.000 0.000 1.279 412 L HN 0.092 nan 8.230 nan 0.000 0.412 413 D N 2.312 122.710 120.400 -0.004 0.000 2.406 413 D HA -0.068 4.572 4.640 0.000 0.000 0.234 413 D C 1.093 177.387 176.300 -0.009 0.000 1.196 413 D CA 0.325 54.321 54.000 -0.006 0.000 0.881 413 D CB 1.173 41.970 40.800 -0.004 0.000 1.205 413 D HN 0.609 nan 8.370 nan 0.000 0.453 414 A N 1.913 124.726 122.820 -0.012 0.000 1.884 414 A HA -0.270 4.050 4.320 0.000 0.000 0.219 414 A C 2.372 179.944 177.584 -0.019 0.000 1.197 414 A CA 2.781 54.808 52.037 -0.017 0.000 0.637 414 A CB -1.146 17.843 19.000 -0.018 0.000 0.827 414 A HN 0.677 nan 8.150 nan 0.000 0.450 415 S N -0.759 114.932 115.700 -0.014 0.000 2.359 415 S HA -0.221 4.249 4.470 0.000 0.000 0.223 415 S C 2.206 176.798 174.600 -0.014 0.000 1.039 415 S CA 2.921 61.112 58.200 -0.014 0.000 1.042 415 S CB -0.804 62.393 63.200 -0.005 0.000 0.915 415 S HN 0.876 nan 8.310 nan 0.000 0.439 416 T N -1.135 113.416 114.554 -0.006 0.000 2.951 416 T HA 0.097 4.447 4.350 0.000 0.000 0.268 416 T C 1.788 176.488 174.700 -0.001 0.000 1.073 416 T CA 1.128 63.229 62.100 0.002 0.000 1.134 416 T CB -0.289 68.584 68.868 0.008 0.000 0.884 416 T HN 0.384 nan 8.240 nan 0.000 0.479 417 K N 1.119 121.513 120.400 -0.010 0.000 2.057 417 K HA -0.183 4.137 4.320 0.000 0.000 0.207 417 K C 2.636 179.215 176.600 -0.034 0.000 1.049 417 K CA 1.703 57.981 56.287 -0.015 0.000 0.931 417 K CB -0.151 32.337 32.500 -0.019 0.000 0.714 417 K HN 0.560 nan 8.250 nan 0.000 0.440 418 Q N -0.032 119.738 119.800 -0.049 0.000 2.167 418 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 418 Q C 1.467 177.400 176.000 -0.112 0.000 0.970 418 Q CA 2.222 57.976 55.803 -0.081 0.000 0.855 418 Q CB -0.404 28.286 28.738 -0.080 0.000 0.911 418 Q HN 0.105 nan 8.270 nan 0.000 0.438 419 T N 1.097 115.603 114.554 -0.081 0.000 2.701 419 T HA -0.064 4.286 4.350 0.000 0.000 0.263 419 T C 1.711 176.364 174.700 -0.079 0.000 1.040 419 T CA 1.333 63.377 62.100 -0.093 0.000 1.147 419 T CB -0.398 68.461 68.868 -0.014 0.000 0.865 419 T HN 0.210 nan 8.240 nan 0.000 0.426 420 L N 0.916 122.142 121.223 0.006 0.000 2.137 420 L HA -0.154 4.186 4.340 0.000 0.000 0.213 420 L C 2.593 179.423 176.870 -0.066 0.000 1.085 420 L CA 0.921 55.800 54.840 0.064 0.000 0.760 420 L CB -0.659 41.449 42.059 0.081 0.000 0.893 420 L HN 0.148 nan 8.230 nan 0.000 0.434 421 V N -0.717 119.133 119.914 -0.107 0.000 2.261 421 V HA -0.259 3.861 4.120 0.000 0.000 0.246 421 V C 2.602 178.559 176.094 -0.227 0.000 1.047 421 V CA 1.622 63.834 62.300 -0.145 0.000 1.015 421 V CB -0.591 31.153 31.823 -0.131 0.000 0.642 421 V HN 0.416 nan 8.190 nan 0.000 0.446 422 R N 0.312 120.639 120.500 -0.288 0.000 2.152 422 R HA -0.087 4.253 4.340 0.000 0.000 0.232 422 R C 2.366 178.399 176.300 -0.444 0.000 1.117 422 R CA 1.359 57.231 56.100 -0.380 0.000 0.981 422 R CB -1.046 28.920 30.300 -0.555 0.000 0.870 422 R HN 0.604 nan 8.270 nan 0.000 0.451 423 G N 1.147 109.597 108.800 -0.583 0.000 2.414 423 G HA2 -0.256 3.704 3.960 0.000 0.000 0.215 423 G HA3 -0.256 3.704 3.960 0.000 0.000 0.215 423 G C 1.236 175.427 174.900 -1.181 0.000 1.188 423 G CA 0.483 44.791 45.100 -1.321 0.000 0.783 423 G HN 0.308 nan 8.290 nan 0.000 0.537 424 E N 0.045 119.862 120.200 -0.638 0.000 2.077 424 E HA -0.037 4.313 4.350 0.000 0.000 0.193 424 E C 2.683 179.162 176.600 -0.202 0.000 0.989 424 E CA 0.727 56.967 56.400 -0.266 0.000 0.800 424 E CB -0.083 29.552 29.700 -0.108 0.000 0.746 424 E HN 0.262 nan 8.360 nan 0.000 0.452 425 R N 0.046 120.416 120.500 -0.217 0.000 2.096 425 R HA -0.067 4.273 4.340 0.000 0.000 0.235 425 R C 2.137 178.368 176.300 -0.114 0.000 1.127 425 R CA 0.993 57.003 56.100 -0.151 0.000 0.968 425 R CB -0.110 30.088 30.300 -0.170 0.000 0.861 425 R HN 0.154 nan 8.270 nan 0.000 0.440 426 L N -0.851 120.283 121.223 -0.148 0.000 2.209 426 L HA -0.038 4.303 4.340 0.000 0.000 0.207 426 L C 2.098 178.941 176.870 -0.046 0.000 1.094 426 L CA 0.936 55.733 54.840 -0.072 0.000 0.790 426 L CB -0.387 41.638 42.059 -0.057 0.000 0.932 426 L HN 0.187 nan 8.230 nan 0.000 0.447 427 T N -0.855 113.647 114.554 -0.087 0.000 2.635 427 T HA -0.320 4.030 4.350 0.000 0.000 0.267 427 T C 1.839 176.535 174.700 -0.006 0.000 1.040 427 T CA 1.768 63.857 62.100 -0.018 0.000 1.156 427 T CB -0.231 68.644 68.868 0.013 0.000 0.863 427 T HN 0.173 nan 8.240 nan 0.000 0.430 428 Q N 0.470 120.258 119.800 -0.020 0.000 2.170 428 Q HA 0.088 4.428 4.340 0.000 0.000 0.203 428 Q C 2.054 178.065 176.000 0.019 0.000 0.976 428 Q CA 1.108 56.910 55.803 -0.001 0.000 0.858 428 Q CB -0.589 28.145 28.738 -0.006 0.000 0.907 428 Q HN 0.516 nan 8.270 nan 0.000 0.433 429 L N -0.687 120.550 121.223 0.023 0.000 2.141 429 L HA -0.086 4.254 4.340 0.000 0.000 0.209 429 L C 1.475 178.372 176.870 0.045 0.000 1.094 429 L CA 0.719 55.592 54.840 0.055 0.000 0.763 429 L CB -0.035 42.064 42.059 0.066 0.000 0.908 429 L HN 0.284 nan 8.230 nan 0.000 0.437 430 L N -0.918 120.321 121.223 0.028 0.000 2.591 430 L HA 0.036 4.376 4.340 0.000 0.000 0.228 430 L C 0.814 177.685 176.870 0.001 0.000 1.133 430 L CA -0.001 54.851 54.840 0.021 0.000 0.880 430 L CB -0.225 41.849 42.059 0.025 0.000 1.033 430 L HN 0.083 nan 8.230 nan 0.000 0.450 431 K N 0.968 121.365 120.400 -0.005 0.000 2.219 431 K HA 0.355 4.675 4.320 0.000 0.000 0.258 431 K C -0.275 176.309 176.600 -0.027 0.000 1.008 431 K CA -0.034 56.235 56.287 -0.030 0.000 0.928 431 K CB 0.865 33.348 32.500 -0.028 0.000 0.983 431 K HN -0.013 nan 8.250 nan 0.000 0.484 432 Q N 0.849 120.618 119.800 -0.053 0.000 2.503 432 Q HA 0.152 4.492 4.340 0.000 0.000 0.268 432 Q C -1.575 174.385 176.000 -0.067 0.000 0.982 432 Q CA -0.747 55.030 55.803 -0.045 0.000 0.907 432 Q CB 1.706 30.419 28.738 -0.042 0.000 1.467 432 Q HN 0.499 nan 8.270 nan 0.000 0.394 433 N N 2.058 120.734 118.700 -0.040 0.000 2.508 433 N HA 0.048 4.788 4.740 0.000 0.000 0.264 433 N C -0.578 174.886 175.510 -0.076 0.000 1.216 433 N CA 0.023 53.050 53.050 -0.039 0.000 0.943 433 N CB 0.755 39.250 38.487 0.013 0.000 1.113 433 N HN 0.501 nan 8.380 nan 0.000 0.447 434 Q N 0.718 120.431 119.800 -0.145 0.000 2.432 434 Q HA -0.040 4.300 4.340 0.000 0.000 0.264 434 Q C -0.479 175.366 176.000 -0.258 0.000 1.035 434 Q CA 0.128 55.717 55.803 -0.356 0.000 0.908 434 Q CB 0.205 28.570 28.738 -0.620 0.000 1.280 434 Q HN 0.606 nan 8.270 nan 0.000 0.455 435 Y N -0.541 119.734 120.300 -0.042 0.000 4.569 435 Y HA -0.232 4.318 4.550 0.000 0.000 0.237 435 Y C -0.380 175.505 175.900 -0.024 0.000 1.090 435 Y CA 0.817 58.867 58.100 -0.082 0.000 2.052 435 Y CB -2.199 36.232 38.460 -0.048 0.000 1.621 435 Y HN 0.406 nan 8.280 nan 0.000 0.682 436 S N 0.217 115.956 115.700 0.065 0.000 2.112 436 S HA 0.395 4.865 4.470 0.000 0.000 0.151 436 S C -2.659 171.952 174.600 0.019 0.000 1.723 436 S CA -1.009 57.223 58.200 0.055 0.000 1.263 436 S CB 1.412 64.640 63.200 0.046 0.000 1.194 436 S HN 0.011 nan 8.310 nan 0.000 0.419 437 P HA 0.323 nan 4.420 nan 0.000 0.281 437 P C -0.544 176.757 177.300 0.002 0.000 1.252 437 P CA -0.377 62.730 63.100 0.012 0.000 0.778 437 P CB 0.685 32.398 31.700 0.021 0.000 0.895 438 L N 2.036 123.261 121.223 0.003 0.000 2.357 438 L HA 0.587 4.927 4.340 0.000 0.000 0.273 438 L C 1.031 177.895 176.870 -0.010 0.000 1.080 438 L CA -1.147 53.687 54.840 -0.010 0.000 0.803 438 L CB 0.982 43.039 42.059 -0.004 0.000 1.174 438 L HN 0.368 nan 8.230 nan 0.000 0.443 439 A N 1.440 124.236 122.820 -0.040 0.000 2.425 439 A HA 0.232 4.552 4.320 0.000 0.000 0.242 439 A C 1.168 178.752 177.584 0.001 0.000 1.077 439 A CA -0.153 51.861 52.037 -0.039 0.000 0.781 439 A CB 0.344 19.293 19.000 -0.084 0.000 1.020 439 A HN 0.879 nan 8.150 nan 0.000 0.494 440 T N 1.009 115.589 114.554 0.043 0.000 2.746 440 T HA -0.138 4.212 4.350 0.000 0.000 0.267 440 T C 1.759 176.465 174.700 0.010 0.000 1.039 440 T CA 1.691 63.818 62.100 0.045 0.000 1.142 440 T CB -0.223 68.691 68.868 0.077 0.000 0.866 440 T HN 0.889 nan 8.240 nan 0.000 0.444 441 E N 1.768 121.963 120.200 -0.009 0.000 2.331 441 E HA -0.206 4.144 4.350 0.000 0.000 0.199 441 E C 1.268 177.826 176.600 -0.070 0.000 1.008 441 E CA 1.229 57.604 56.400 -0.041 0.000 0.843 441 E CB -0.258 29.410 29.700 -0.053 0.000 0.761 441 E HN 0.606 nan 8.360 nan 0.000 0.507 442 E N 0.126 120.290 120.200 -0.060 0.000 2.389 442 E HA 0.044 4.394 4.350 0.000 0.000 0.199 442 E C 1.986 178.563 176.600 -0.038 0.000 0.978 442 E CA 0.029 56.382 56.400 -0.078 0.000 0.912 442 E CB 0.236 29.888 29.700 -0.081 0.000 0.907 442 E HN 0.262 nan 8.360 nan 0.000 0.494 443 Q N 0.414 120.211 119.800 -0.005 0.000 2.062 443 Q HA -0.097 4.243 4.340 0.000 0.000 0.196 443 Q C 2.495 178.526 176.000 0.052 0.000 0.967 443 Q CA 1.520 57.340 55.803 0.028 0.000 0.832 443 Q CB 0.113 28.872 28.738 0.035 0.000 0.899 443 Q HN 0.267 nan 8.270 nan 0.000 0.442 444 V N -1.156 118.782 119.914 0.040 0.000 2.626 444 V HA -0.043 4.077 4.120 0.000 0.000 0.252 444 V C -1.195 174.960 176.094 0.102 0.000 1.067 444 V CA 0.904 63.246 62.300 0.069 0.000 1.081 444 V CB -1.396 30.455 31.823 0.047 0.000 0.686 444 V HN 0.169 nan 8.190 nan 0.000 0.468 445 P HA 0.003 nan 4.420 nan 0.000 0.216 445 P C 2.103 179.579 177.300 0.293 0.000 1.153 445 P CA 1.346 64.497 63.100 0.085 0.000 0.844 445 P CB -0.047 31.568 31.700 -0.142 0.000 0.787 446 L N -1.148 120.216 121.223 0.236 0.000 1.989 446 L HA -0.193 4.147 4.340 0.000 0.000 0.211 446 L C 2.478 179.524 176.870 0.294 0.000 1.071 446 L CA 1.595 56.629 54.840 0.322 0.000 0.749 446 L CB -0.870 41.315 42.059 0.210 0.000 0.890 446 L HN -0.106 nan 8.230 nan 0.000 0.431 447 I N -1.665 119.037 120.570 0.221 0.000 2.179 447 I HA -0.358 3.812 4.170 0.000 0.000 0.242 447 I C 2.500 178.750 176.117 0.221 0.000 1.088 447 I CA 1.425 62.837 61.300 0.186 0.000 1.357 447 I CB -0.356 37.728 38.000 0.139 0.000 1.051 447 I HN 0.182 nan 8.210 nan 0.000 0.409 448 Y N 1.675 122.059 120.300 0.141 0.000 2.069 448 Y HA -0.414 4.136 4.550 0.000 0.000 0.278 448 Y C 2.535 178.553 175.900 0.196 0.000 1.175 448 Y CA 1.934 60.124 58.100 0.150 0.000 1.134 448 Y CB -0.385 38.153 38.460 0.130 0.000 0.965 448 Y HN 0.163 nan 8.280 nan 0.000 0.498 449 A N 0.104 123.193 122.820 0.449 0.000 1.908 449 A HA -0.165 4.155 4.320 0.000 0.000 0.218 449 A C 2.440 180.127 177.584 0.172 0.000 1.181 449 A CA 1.985 54.226 52.037 0.340 0.000 0.627 449 A CB -1.762 17.441 19.000 0.338 0.000 0.818 449 A HN 0.645 nan 8.150 nan 0.000 0.445 450 G N -0.532 108.343 108.800 0.125 0.000 2.464 450 G HA2 -0.080 3.880 3.960 0.000 0.000 0.214 450 G HA3 -0.080 3.880 3.960 0.000 0.000 0.214 450 G C 1.532 176.439 174.900 0.011 0.000 1.218 450 G CA 1.348 46.468 45.100 0.033 0.000 0.794 450 G HN 0.331 nan 8.290 nan 0.000 0.542 451 V N 2.145 122.106 119.914 0.079 0.000 2.231 451 V HA -0.269 3.851 4.120 0.000 0.000 0.250 451 V C 2.317 178.450 176.094 0.067 0.000 1.058 451 V CA 2.040 64.446 62.300 0.177 0.000 1.022 451 V CB -0.592 31.311 31.823 0.135 0.000 0.640 451 V HN 0.405 nan 8.190 nan 0.000 0.445 452 N N 0.309 118.956 118.700 -0.088 0.000 2.571 452 N HA 0.014 4.754 4.740 0.000 0.000 0.189 452 N C 1.501 176.851 175.510 -0.267 0.000 1.154 452 N CA 1.070 54.013 53.050 -0.178 0.000 0.907 452 N CB 0.496 38.803 38.487 -0.300 0.000 0.977 452 N HN 0.725 nan 8.380 nan 0.000 0.449 453 G N 0.619 109.301 108.800 -0.197 0.000 2.159 453 G HA2 -0.293 3.667 3.960 0.000 0.000 0.256 453 G HA3 -0.293 3.667 3.960 0.000 0.000 0.256 453 G C 0.369 175.110 174.900 -0.267 0.000 0.977 453 G CA 0.249 45.203 45.100 -0.245 0.000 0.652 453 G HN 0.533 nan 8.290 nan 0.000 0.531 454 H N -0.359 118.640 119.070 -0.119 0.000 2.567 454 H HA 0.355 4.911 4.556 0.000 0.000 0.276 454 H C 2.236 177.428 175.328 -0.227 0.000 1.016 454 H CA 1.118 57.090 56.048 -0.127 0.000 1.186 454 H CB 0.087 29.812 29.762 -0.061 0.000 1.351 454 H HN 0.481 nan 8.280 nan 0.000 0.605 455 L N -0.674 120.451 121.223 -0.163 0.000 2.858 455 L HA 0.109 4.449 4.340 0.000 0.000 0.251 455 L C 0.683 177.425 176.870 -0.213 0.000 1.149 455 L CA -0.029 54.650 54.840 -0.269 0.000 0.955 455 L CB 0.533 42.414 42.059 -0.296 0.000 1.289 455 L HN 0.065 nan 8.230 nan 0.000 0.542 456 D N 1.049 121.339 120.400 -0.182 0.000 2.378 456 D HA -0.079 4.561 4.640 0.000 0.000 0.222 456 D C 1.898 178.116 176.300 -0.137 0.000 0.980 456 D CA 1.021 54.925 54.000 -0.161 0.000 0.907 456 D CB 0.118 40.821 40.800 -0.161 0.000 0.899 456 D HN 0.322 nan 8.370 nan 0.000 0.527 457 G N 0.759 109.473 108.800 -0.143 0.000 2.572 457 G HA2 -0.015 3.945 3.960 0.000 0.000 0.214 457 G HA3 -0.015 3.945 3.960 0.000 0.000 0.214 457 G C 0.614 175.439 174.900 -0.124 0.000 1.246 457 G CA -0.360 44.666 45.100 -0.123 0.000 0.835 457 G HN 0.233 nan 8.290 nan 0.000 0.551 458 I N 2.782 123.258 120.570 -0.157 0.000 2.996 458 I HA -0.066 4.104 4.170 0.000 0.000 0.310 458 I C 0.857 176.912 176.117 -0.104 0.000 1.225 458 I CA 0.046 61.264 61.300 -0.138 0.000 1.442 458 I CB 0.144 38.024 38.000 -0.201 0.000 1.334 458 I HN 0.498 nan 8.210 nan 0.000 0.550 459 E N 5.878 126.037 120.200 -0.068 0.000 2.436 459 E HA -0.080 4.271 4.350 0.000 0.000 0.262 459 E C 0.841 177.414 176.600 -0.044 0.000 1.063 459 E CA -0.675 55.695 56.400 -0.050 0.000 0.944 459 E CB 0.787 30.468 29.700 -0.032 0.000 0.950 459 E HN 0.502 nan 8.360 nan 0.000 0.444 460 L N 3.329 124.528 121.223 -0.039 0.000 1.990 460 L HA -0.281 4.059 4.340 0.000 0.000 0.213 460 L C 2.468 179.332 176.870 -0.010 0.000 1.072 460 L CA 2.791 57.613 54.840 -0.031 0.000 0.755 460 L CB -1.050 40.995 42.059 -0.022 0.000 0.889 460 L HN 0.841 nan 8.230 nan 0.000 0.432 461 S N -1.059 114.639 115.700 -0.002 0.000 2.440 461 S HA -0.214 4.256 4.470 0.000 0.000 0.240 461 S C 1.868 176.482 174.600 0.024 0.000 1.014 461 S CA 1.262 59.468 58.200 0.011 0.000 0.980 461 S CB -0.575 62.631 63.200 0.009 0.000 0.775 461 S HN 0.602 nan 8.310 nan 0.000 0.499 462 R N -0.364 120.152 120.500 0.026 0.000 2.437 462 R HA 0.376 4.716 4.340 0.000 0.000 0.257 462 R C 1.279 177.639 176.300 0.101 0.000 0.927 462 R CA -0.177 55.957 56.100 0.056 0.000 1.078 462 R CB 0.028 30.357 30.300 0.049 0.000 1.161 462 R HN 0.351 nan 8.270 nan 0.000 0.529 463 I N 0.849 121.465 120.570 0.076 0.000 2.151 463 I HA -0.208 3.962 4.170 0.000 0.000 0.243 463 I C 2.375 178.612 176.117 0.200 0.000 1.080 463 I CA 1.925 63.297 61.300 0.121 0.000 1.339 463 I CB -1.359 36.670 38.000 0.048 0.000 1.039 463 I HN 0.238 nan 8.210 nan 0.000 0.409 464 G N 1.136 110.011 108.800 0.126 0.000 2.476 464 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 464 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 464 G C 1.525 176.499 174.900 0.123 0.000 1.164 464 G CA 1.102 46.268 45.100 0.109 0.000 0.768 464 G HN 0.630 nan 8.290 nan 0.000 0.560 465 E N -0.436 119.841 120.200 0.128 0.000 2.085 465 E HA -0.189 4.161 4.350 0.000 0.000 0.194 465 E C 2.108 178.815 176.600 0.178 0.000 0.994 465 E CA 1.146 57.623 56.400 0.128 0.000 0.801 465 E CB -0.535 29.234 29.700 0.116 0.000 0.743 465 E HN 0.426 nan 8.360 nan 0.000 0.453 466 F N 1.777 121.789 119.950 0.104 0.000 2.095 466 F HA -0.186 4.341 4.527 0.000 0.000 0.298 466 F C 2.302 178.204 175.800 0.171 0.000 1.104 466 F CA 2.201 60.297 58.000 0.160 0.000 1.232 466 F CB -0.266 38.806 39.000 0.120 0.000 0.987 466 F HN 0.114 nan 8.300 nan 0.000 0.475 467 E N 0.275 120.550 120.200 0.125 0.000 2.048 467 E HA -0.285 4.065 4.350 0.000 0.000 0.202 467 E C 2.195 178.740 176.600 -0.092 0.000 1.021 467 E CA 2.442 58.852 56.400 0.016 0.000 0.825 467 E CB -0.322 29.441 29.700 0.106 0.000 0.756 467 E HN 0.545 nan 8.360 nan 0.000 0.454 468 S N 0.165 115.850 115.700 -0.026 0.000 2.370 468 S HA -0.170 4.300 4.470 0.000 0.000 0.226 468 S C 2.237 176.802 174.600 -0.059 0.000 1.033 468 S CA 1.435 59.617 58.200 -0.030 0.000 1.011 468 S CB -0.313 62.895 63.200 0.014 0.000 0.852 468 S HN 0.160 nan 8.310 nan 0.000 0.457 469 S N 0.802 116.475 115.700 -0.046 0.000 2.406 469 S HA 0.127 4.597 4.470 0.000 0.000 0.228 469 S C 1.398 175.874 174.600 -0.206 0.000 1.020 469 S CA 0.602 58.813 58.200 0.019 0.000 0.965 469 S CB -0.339 63.003 63.200 0.237 0.000 0.798 469 S HN 0.527 nan 8.310 nan 0.000 0.488 470 F N 1.950 121.437 119.950 -0.772 0.000 2.416 470 F HA 0.258 4.785 4.527 0.000 0.000 0.296 470 F C 1.539 177.016 175.800 -0.539 0.000 1.099 470 F CA 0.370 57.684 58.000 -1.144 0.000 1.427 470 F CB -0.392 37.715 39.000 -1.489 0.000 1.079 470 F HN 0.095 nan 8.300 nan 0.000 0.536 471 L N -0.463 120.517 121.223 -0.404 0.000 2.068 471 L HA -0.135 4.205 4.340 0.000 0.000 0.204 471 L C 2.634 179.352 176.870 -0.252 0.000 1.076 471 L CA 1.414 56.038 54.840 -0.359 0.000 0.753 471 L CB -0.924 40.996 42.059 -0.232 0.000 0.910 471 L HN 0.199 nan 8.230 nan 0.000 0.439 472 S N -0.993 114.615 115.700 -0.154 0.000 2.447 472 S HA -0.238 4.232 4.470 0.000 0.000 0.233 472 S C 1.954 176.521 174.600 -0.056 0.000 1.006 472 S CA 0.661 58.806 58.200 -0.090 0.000 0.957 472 S CB -0.672 62.505 63.200 -0.038 0.000 0.773 472 S HN 0.498 nan 8.310 nan 0.000 0.507 473 Y N 2.309 122.498 120.300 -0.185 0.000 2.200 473 Y HA 0.122 4.672 4.550 0.000 0.000 0.290 473 Y C 1.874 177.706 175.900 -0.113 0.000 1.137 473 Y CA 1.199 59.229 58.100 -0.117 0.000 1.163 473 Y CB -0.443 37.897 38.460 -0.199 0.000 0.988 473 Y HN 0.212 nan 8.280 nan 0.000 0.518 474 L N 0.173 121.154 121.223 -0.403 0.000 2.141 474 L HA -0.190 4.150 4.340 0.000 0.000 0.209 474 L C 2.378 179.068 176.870 -0.299 0.000 1.094 474 L CA 1.482 56.069 54.840 -0.422 0.000 0.763 474 L CB -0.468 41.314 42.059 -0.462 0.000 0.908 474 L HN 0.182 nan 8.230 nan 0.000 0.437 475 K N -0.624 119.631 120.400 -0.241 0.000 2.057 475 K HA -0.104 4.216 4.320 0.000 0.000 0.206 475 K C 2.359 178.857 176.600 -0.169 0.000 1.050 475 K CA 1.426 57.607 56.287 -0.177 0.000 0.935 475 K CB -0.073 32.345 32.500 -0.138 0.000 0.715 475 K HN 0.098 nan 8.250 nan 0.000 0.439 476 S N 0.719 116.312 115.700 -0.178 0.000 2.345 476 S HA -0.051 4.419 4.470 0.000 0.000 0.219 476 S C 1.508 175.975 174.600 -0.222 0.000 1.031 476 S CA 1.365 59.471 58.200 -0.158 0.000 0.984 476 S CB -0.118 63.020 63.200 -0.103 0.000 0.874 476 S HN 0.279 nan 8.310 nan 0.000 0.451 477 N N 0.604 119.087 118.700 -0.361 0.000 2.324 477 N HA 0.067 4.807 4.740 0.000 0.000 0.192 477 N C 0.725 175.920 175.510 -0.524 0.000 1.046 477 N CA 0.915 53.664 53.050 -0.502 0.000 0.898 477 N CB -0.368 37.659 38.487 -0.766 0.000 1.079 477 N HN 0.371 nan 8.380 nan 0.000 0.456 478 H N 0.289 119.147 119.070 -0.353 0.000 2.605 478 H HA 0.199 4.755 4.556 0.000 0.000 0.308 478 H C 0.558 175.761 175.328 -0.208 0.000 1.080 478 H CA -0.130 55.769 56.048 -0.248 0.000 1.119 478 H CB -0.208 29.403 29.762 -0.251 0.000 1.479 478 H HN 0.294 nan 8.280 nan 0.000 0.537 479 N N 1.774 120.394 118.700 -0.133 0.000 2.132 479 N HA -0.216 4.524 4.740 0.000 0.000 0.191 479 N C 1.506 176.965 175.510 -0.087 0.000 1.015 479 N CA 1.507 54.486 53.050 -0.117 0.000 0.864 479 N CB 0.230 38.646 38.487 -0.117 0.000 1.006 479 N HN 0.378 nan 8.380 nan 0.000 0.430 480 E N -0.552 119.606 120.200 -0.070 0.000 2.274 480 E HA -0.054 4.296 4.350 0.000 0.000 0.194 480 E C 1.823 178.395 176.600 -0.046 0.000 0.996 480 E CA 0.691 57.059 56.400 -0.053 0.000 0.840 480 E CB 0.006 29.680 29.700 -0.044 0.000 0.772 480 E HN 0.474 nan 8.360 nan 0.000 0.491 481 L N 0.205 121.401 121.223 -0.045 0.000 2.027 481 L HA -0.168 4.172 4.340 0.000 0.000 0.206 481 L C 2.345 179.172 176.870 -0.072 0.000 1.074 481 L CA 0.980 55.786 54.840 -0.057 0.000 0.745 481 L CB -0.791 41.223 42.059 -0.075 0.000 0.898 481 L HN 0.144 nan 8.230 nan 0.000 0.433 482 L N -0.198 120.971 121.223 -0.089 0.000 1.990 482 L HA -0.215 4.125 4.340 0.000 0.000 0.213 482 L C 2.777 179.605 176.870 -0.069 0.000 1.072 482 L CA 1.853 56.636 54.840 -0.094 0.000 0.755 482 L CB -1.301 40.688 42.059 -0.118 0.000 0.889 482 L HN 0.314 nan 8.230 nan 0.000 0.432 483 T N -0.921 113.595 114.554 -0.064 0.000 2.665 483 T HA -0.276 4.074 4.350 0.000 0.000 0.268 483 T C 1.825 176.503 174.700 -0.037 0.000 1.035 483 T CA 1.757 63.827 62.100 -0.050 0.000 1.151 483 T CB -0.212 68.627 68.868 -0.048 0.000 0.862 483 T HN 0.363 nan 8.240 nan 0.000 0.438 484 E N 0.031 120.209 120.200 -0.036 0.000 2.208 484 E HA -0.026 4.324 4.350 0.000 0.000 0.193 484 E C 2.157 178.743 176.600 -0.024 0.000 0.988 484 E CA 0.445 56.829 56.400 -0.027 0.000 0.828 484 E CB -0.101 29.583 29.700 -0.026 0.000 0.763 484 E HN 0.503 nan 8.360 nan 0.000 0.478 485 I N 0.475 121.026 120.570 -0.032 0.000 2.163 485 I HA -0.269 3.901 4.170 0.000 0.000 0.240 485 I C 2.808 178.918 176.117 -0.011 0.000 1.081 485 I CA 0.951 62.236 61.300 -0.026 0.000 1.353 485 I CB -0.335 37.641 38.000 -0.039 0.000 1.054 485 I HN 0.052 nan 8.210 nan 0.000 0.407 486 R N 0.823 121.315 120.500 -0.014 0.000 2.117 486 R HA -0.252 4.088 4.340 0.000 0.000 0.243 486 R C 2.107 178.416 176.300 0.016 0.000 1.143 486 R CA 2.040 58.143 56.100 0.005 0.000 0.968 486 R CB -0.086 30.208 30.300 -0.011 0.000 0.863 486 R HN 0.409 nan 8.270 nan 0.000 0.444 487 E N -0.561 119.641 120.200 0.002 0.000 2.042 487 E HA -0.062 4.288 4.350 0.000 0.000 0.189 487 E C 1.773 178.376 176.600 0.004 0.000 0.974 487 E CA 0.688 57.091 56.400 0.005 0.000 0.806 487 E CB 0.307 30.005 29.700 -0.004 0.000 0.769 487 E HN 0.062 nan 8.360 nan 0.000 0.451 488 K N -0.653 119.747 120.400 -0.001 0.000 2.296 488 K HA 0.041 4.361 4.320 0.000 0.000 0.200 488 K C 1.322 177.922 176.600 0.000 0.000 1.048 488 K CA 0.886 57.172 56.287 -0.001 0.000 0.966 488 K CB 0.293 32.790 32.500 -0.004 0.000 0.754 488 K HN 0.334 nan 8.250 nan 0.000 0.466 489 G N 1.914 110.715 108.800 0.002 0.000 2.175 489 G HA2 -0.301 3.659 3.960 0.000 0.000 0.265 489 G HA3 -0.301 3.659 3.960 0.000 0.000 0.265 489 G C -0.012 174.890 174.900 0.003 0.000 0.979 489 G CA 1.092 46.194 45.100 0.004 0.000 0.663 489 G HN 0.444 nan 8.290 nan 0.000 0.533 490 E N -1.629 118.572 120.200 0.002 0.000 2.450 490 E HA 0.788 5.138 4.350 0.000 0.000 0.272 490 E C -0.747 175.855 176.600 0.003 0.000 0.967 490 E CA -1.102 55.301 56.400 0.004 0.000 0.818 490 E CB 1.526 31.228 29.700 0.005 0.000 1.401 490 E HN 0.129 nan 8.360 nan 0.000 0.450 491 L N 1.364 122.592 121.223 0.008 0.000 2.406 491 L HA 0.350 4.690 4.340 0.000 0.000 0.272 491 L C -0.205 176.672 176.870 0.012 0.000 0.980 491 L CA -0.568 54.276 54.840 0.006 0.000 0.831 491 L CB 1.896 43.964 42.059 0.014 0.000 1.253 491 L HN 0.584 nan 8.230 nan 0.000 0.406 492 S N 1.299 117.002 115.700 0.006 0.000 2.671 492 S HA 0.383 4.853 4.470 0.000 0.000 0.272 492 S C 0.855 175.464 174.600 0.015 0.000 1.174 492 S CA -0.731 57.475 58.200 0.010 0.000 1.004 492 S CB 1.275 64.478 63.200 0.006 0.000 1.077 492 S HN 0.564 nan 8.310 nan 0.000 0.553 493 K N 0.401 120.812 120.400 0.019 0.000 2.209 493 K HA -0.056 4.264 4.320 0.000 0.000 0.204 493 K C 1.841 178.452 176.600 0.018 0.000 1.048 493 K CA 1.446 57.748 56.287 0.025 0.000 0.940 493 K CB -0.202 32.313 32.500 0.025 0.000 0.729 493 K HN 0.550 nan 8.250 nan 0.000 0.451 494 E N 0.448 120.654 120.200 0.010 0.000 2.076 494 E HA -0.045 4.305 4.350 0.000 0.000 0.190 494 E C 1.730 178.325 176.600 -0.008 0.000 0.979 494 E CA 0.768 57.170 56.400 0.004 0.000 0.807 494 E CB -0.079 29.623 29.700 0.003 0.000 0.761 494 E HN 0.142 nan 8.360 nan 0.000 0.454 495 L N 0.137 121.351 121.223 -0.015 0.000 2.141 495 L HA -0.112 4.228 4.340 0.000 0.000 0.209 495 L C 2.170 179.002 176.870 -0.063 0.000 1.094 495 L CA 0.460 55.278 54.840 -0.037 0.000 0.763 495 L CB -0.235 41.805 42.059 -0.032 0.000 0.908 495 L HN 0.185 nan 8.230 nan 0.000 0.437 496 L N -0.279 120.922 121.223 -0.036 0.000 2.131 496 L HA -0.006 4.334 4.340 0.000 0.000 0.206 496 L C 2.547 179.395 176.870 -0.037 0.000 1.087 496 L CA 1.813 56.630 54.840 -0.038 0.000 0.767 496 L CB -0.633 41.456 42.059 0.050 0.000 0.917 496 L HN 0.098 nan 8.230 nan 0.000 0.441 497 A N -1.032 121.788 122.820 -0.000 0.000 1.873 497 A HA -0.153 4.167 4.320 0.000 0.000 0.215 497 A C 2.327 179.906 177.584 -0.009 0.000 1.186 497 A CA 1.907 53.955 52.037 0.019 0.000 0.616 497 A CB -0.960 18.056 19.000 0.028 0.000 0.823 497 A HN 0.536 nan 8.150 nan 0.000 0.442 498 S N -0.180 115.502 115.700 -0.031 0.000 2.356 498 S HA -0.166 4.304 4.470 0.000 0.000 0.223 498 S C 1.854 176.389 174.600 -0.109 0.000 1.032 498 S CA 1.445 59.621 58.200 -0.039 0.000 1.005 498 S CB -0.583 62.602 63.200 -0.025 0.000 0.867 498 S HN 0.420 nan 8.310 nan 0.000 0.449 499 L N 2.151 123.265 121.223 -0.182 0.000 2.013 499 L HA -0.145 4.195 4.340 0.000 0.000 0.212 499 L C 2.290 178.969 176.870 -0.318 0.000 1.073 499 L CA 1.902 56.551 54.840 -0.318 0.000 0.753 499 L CB -0.582 41.173 42.059 -0.506 0.000 0.890 499 L HN 0.216 nan 8.230 nan 0.000 0.432 500 K N -1.573 118.696 120.400 -0.219 0.000 2.063 500 K HA -0.199 4.121 4.320 0.000 0.000 0.208 500 K C 2.352 178.959 176.600 0.012 0.000 1.048 500 K CA 1.652 57.951 56.287 0.020 0.000 0.928 500 K CB -0.265 32.348 32.500 0.187 0.000 0.713 500 K HN 0.380 nan 8.250 nan 0.000 0.442 501 S N -0.202 115.500 115.700 0.003 0.000 2.338 501 S HA -0.114 4.356 4.470 0.000 0.000 0.218 501 S C 1.971 176.583 174.600 0.021 0.000 1.032 501 S CA 1.252 59.471 58.200 0.033 0.000 0.999 501 S CB -0.405 62.823 63.200 0.047 0.000 0.905 501 S HN 0.491 nan 8.310 nan 0.000 0.439 502 A N 0.591 123.364 122.820 -0.079 0.000 1.948 502 A HA -0.142 4.178 4.320 0.000 0.000 0.220 502 A C 2.300 179.984 177.584 0.167 0.000 1.177 502 A CA 2.511 54.458 52.037 -0.150 0.000 0.636 502 A CB -1.573 17.060 19.000 -0.611 0.000 0.815 502 A HN 0.631 nan 8.150 nan 0.000 0.449 503 T N -0.334 114.277 114.554 0.095 0.000 2.668 503 T HA -0.127 4.223 4.350 0.000 0.000 0.262 503 T C 1.796 176.461 174.700 -0.058 0.000 1.045 503 T CA 1.536 63.633 62.100 -0.005 0.000 1.152 503 T CB -0.311 68.428 68.868 -0.215 0.000 0.864 503 T HN 0.654 nan 8.240 nan 0.000 0.419 504 E N 0.843 121.017 120.200 -0.044 0.000 2.110 504 E HA -0.098 4.252 4.350 0.000 0.000 0.193 504 E C 2.471 179.108 176.600 0.062 0.000 0.988 504 E CA 0.881 57.316 56.400 0.058 0.000 0.804 504 E CB -0.175 29.594 29.700 0.114 0.000 0.745 504 E HN 0.266 nan 8.360 nan 0.000 0.458 505 S N -0.345 115.414 115.700 0.098 0.000 2.387 505 S HA -0.186 4.284 4.470 0.000 0.000 0.230 505 S C 1.501 176.157 174.600 0.093 0.000 1.035 505 S CA 1.084 59.367 58.200 0.140 0.000 1.014 505 S CB -0.154 63.199 63.200 0.255 0.000 0.836 505 S HN 0.333 nan 8.310 nan 0.000 0.466 506 F N 0.770 120.650 119.950 -0.117 0.000 2.530 506 F HA 0.204 4.731 4.527 0.000 0.000 0.292 506 F C 1.859 177.553 175.800 -0.177 0.000 1.109 506 F CA 0.392 58.215 58.000 -0.296 0.000 1.450 506 F CB -0.119 38.608 39.000 -0.455 0.000 1.114 506 F HN -0.012 nan 8.300 nan 0.000 0.560 507 V N 0.656 120.495 119.914 -0.125 0.000 2.343 507 V HA -0.266 3.854 4.120 0.000 0.000 0.247 507 V C 2.681 178.651 176.094 -0.206 0.000 1.051 507 V CA 1.735 63.944 62.300 -0.150 0.000 1.036 507 V CB -1.513 30.274 31.823 -0.060 0.000 0.654 507 V HN 0.394 nan 8.190 nan 0.000 0.451 508 A N -0.601 122.126 122.820 -0.154 0.000 2.234 508 A HA -0.051 4.269 4.320 0.000 0.000 0.216 508 A C 1.248 178.723 177.584 -0.182 0.000 1.167 508 A CA 1.656 53.614 52.037 -0.132 0.000 0.698 508 A CB -0.586 18.367 19.000 -0.078 0.000 0.779 508 A HN 0.586 nan 8.150 nan 0.000 0.475 509 T N 0.000 114.365 114.554 -0.316 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.892 62.100 -0.346 0.000 1.349 509 T CB 0.000 68.659 68.868 -0.349 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658