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 3ofn_1_A DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LILEPGQVGI 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 LAQYREVAAF AQFGSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVATF 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 0.000 175.496 175.510 -0.024 0.000 1.280 26 N CA 0.000 53.041 53.050 -0.014 0.000 0.885 26 N CB 0.000 38.473 38.487 -0.023 0.000 1.341 27 L N 0.166 121.364 121.223 -0.041 0.000 3.558 27 L HA -0.211 4.128 4.340 -0.001 0.000 0.422 27 L C 0.519 177.322 176.870 -0.111 0.000 0.740 27 L CA 0.990 55.780 54.840 -0.083 0.000 2.578 27 L CB -1.332 40.679 42.059 -0.080 0.000 1.116 27 L HN 0.316 nan 8.230 nan 0.000 0.626 28 N N -0.063 118.590 118.700 -0.079 0.000 2.402 28 N HA -0.001 4.738 4.740 -0.001 0.000 0.174 28 N C 1.401 176.866 175.510 -0.075 0.000 1.027 28 N CA 1.451 54.455 53.050 -0.077 0.000 0.891 28 N CB 0.330 38.784 38.487 -0.055 0.000 1.016 28 N HN 0.414 nan 8.380 nan 0.000 0.439 29 E N -0.985 119.174 120.200 -0.068 0.000 2.485 29 E HA 0.119 4.468 4.350 -0.001 0.000 0.213 29 E C 0.259 176.811 176.600 -0.081 0.000 0.923 29 E CA 0.279 56.639 56.400 -0.067 0.000 1.054 29 E CB 0.629 30.298 29.700 -0.052 0.000 1.077 29 E HN 0.323 nan 8.360 nan 0.000 0.509 30 T N -1.335 113.171 114.554 -0.080 0.000 2.949 30 T HA 0.781 5.130 4.350 -0.001 0.000 0.287 30 T C 0.417 175.061 174.700 -0.093 0.000 1.034 30 T CA -0.628 61.420 62.100 -0.086 0.000 1.018 30 T CB 2.429 71.261 68.868 -0.060 0.000 1.135 30 T HN 0.026 nan 8.240 nan 0.000 0.532 31 G N -0.019 108.729 108.800 -0.088 0.000 2.695 31 G HA2 0.632 4.591 3.960 -0.001 0.000 0.290 31 G HA3 0.632 4.591 3.960 -0.001 0.000 0.290 31 G C -1.580 173.324 174.900 0.007 0.000 1.410 31 G CA -1.058 44.006 45.100 -0.060 0.000 0.844 31 G HN 0.610 nan 8.290 nan 0.000 0.478 32 R N 0.157 120.714 120.500 0.095 0.000 2.437 32 R HA 0.453 4.792 4.340 -0.001 0.000 0.310 32 R C -0.507 175.878 176.300 0.142 0.000 0.955 32 R CA -0.894 55.284 56.100 0.130 0.000 0.851 32 R CB 1.614 32.027 30.300 0.187 0.000 1.161 32 R HN 0.311 nan 8.270 nan 0.000 0.446 33 V N 5.861 125.850 119.914 0.125 0.000 2.403 33 V HA 0.011 4.130 4.120 -0.001 0.000 0.265 33 V C 1.906 178.058 176.094 0.098 0.000 1.034 33 V CA 0.221 62.605 62.300 0.138 0.000 1.036 33 V CB 0.063 31.987 31.823 0.168 0.000 1.032 33 V HN 0.656 nan 8.190 nan 0.000 0.478 34 L N 4.188 125.468 121.223 0.096 0.000 2.044 34 L HA 0.237 4.576 4.340 -0.001 0.000 0.205 34 L C 1.107 177.999 176.870 0.036 0.000 1.075 34 L CA 1.583 56.456 54.840 0.055 0.000 0.747 34 L CB -0.134 41.962 42.059 0.062 0.000 0.903 34 L HN 0.764 nan 8.230 nan 0.000 0.435 35 A N -1.319 121.527 122.820 0.044 0.000 2.609 35 A HA 0.702 5.021 4.320 -0.001 0.000 0.291 35 A C -1.625 175.975 177.584 0.026 0.000 1.096 35 A CA -0.396 51.657 52.037 0.027 0.000 0.684 35 A CB 2.094 21.104 19.000 0.017 0.000 1.282 35 A HN -0.188 nan 8.150 nan 0.000 0.412 36 V N -0.421 119.497 119.914 0.007 0.000 2.969 36 V HA 0.879 4.998 4.120 -0.001 0.000 0.304 36 V C -0.291 175.791 176.094 -0.020 0.000 1.192 36 V CA 0.927 63.220 62.300 -0.012 0.000 0.962 36 V CB 1.942 33.746 31.823 -0.030 0.000 1.045 36 V HN 2.674 nan 8.190 nan 0.000 0.428 37 G N 3.512 112.295 108.800 -0.028 0.000 2.352 37 G HA2 0.473 4.432 3.960 -0.001 0.000 0.303 37 G HA3 0.473 4.432 3.960 -0.001 0.000 0.303 37 G C -0.794 174.094 174.900 -0.021 0.000 1.593 37 G CA 0.163 45.248 45.100 -0.024 0.000 0.963 37 G HN 1.189 nan 8.290 nan 0.000 0.685 38 D N -0.944 119.445 120.400 -0.019 0.000 3.017 38 D HA -0.087 4.552 4.640 -0.001 0.000 0.220 38 D C 1.728 178.020 176.300 -0.013 0.000 1.141 38 D CA 3.064 57.055 54.000 -0.015 0.000 0.848 38 D CB -1.318 39.473 40.800 -0.014 0.000 1.102 38 D HN 2.389 nan 8.370 nan 0.000 0.427 39 G N -1.013 107.775 108.800 -0.020 0.000 2.168 39 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.263 39 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.263 39 G C 0.236 175.119 174.900 -0.028 0.000 0.977 39 G CA 0.557 45.646 45.100 -0.019 0.000 0.659 39 G HN 0.518 nan 8.290 nan 0.000 0.533 40 I N 0.534 121.086 120.570 -0.029 0.000 2.441 40 I HA 0.727 4.896 4.170 -0.001 0.000 0.295 40 I C 0.404 176.503 176.117 -0.030 0.000 0.994 40 I CA -1.088 60.199 61.300 -0.021 0.000 1.144 40 I CB 1.401 39.399 38.000 -0.004 0.000 1.314 40 I HN 0.333 nan 8.210 nan 0.000 0.445 41 A N 6.903 129.715 122.820 -0.013 0.000 2.304 41 A HA 0.674 4.993 4.320 -0.001 0.000 0.314 41 A C -0.114 177.527 177.584 0.096 0.000 1.187 41 A CA -0.720 51.335 52.037 0.030 0.000 0.810 41 A CB 0.700 19.708 19.000 0.013 0.000 1.183 41 A HN 0.722 nan 8.150 nan 0.000 0.487 42 R N 1.287 121.834 120.500 0.078 0.000 2.254 42 R HA 0.552 4.891 4.340 -0.001 0.000 0.318 42 R C -1.091 175.274 176.300 0.110 0.000 1.031 42 R CA -0.230 55.919 56.100 0.081 0.000 0.905 42 R CB 1.545 31.880 30.300 0.058 0.000 1.050 42 R HN 0.438 nan 8.270 nan 0.000 0.456 43 V N 4.621 124.600 119.914 0.109 0.000 2.577 43 V HA 0.276 4.395 4.120 -0.001 0.000 0.303 43 V C -0.891 175.282 176.094 0.132 0.000 1.042 43 V CA -0.856 61.514 62.300 0.117 0.000 0.872 43 V CB 1.628 33.494 31.823 0.072 0.000 0.998 43 V HN 0.569 nan 8.190 nan 0.000 0.423 44 F N 4.673 124.627 119.950 0.006 0.000 2.420 44 F HA 0.774 5.300 4.527 -0.001 0.000 0.352 44 F C 0.762 176.554 175.800 -0.012 0.000 1.108 44 F CA 1.315 59.314 58.000 -0.002 0.000 1.162 44 F CB 0.859 39.860 39.000 0.001 0.000 1.118 44 F HN 0.883 nan 8.300 nan 0.000 0.510 45 G N 4.289 112.691 108.800 -0.663 0.000 2.460 45 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.207 45 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.207 45 G C 0.061 174.790 174.900 -0.284 0.000 1.170 45 G CA -0.481 44.291 45.100 -0.546 0.000 1.151 45 G HN 1.250 nan 8.290 nan 0.000 0.575 46 L N 0.259 121.366 121.223 -0.194 0.000 3.737 46 L HA -0.231 4.108 4.340 -0.001 0.000 0.418 46 L C 1.708 178.504 176.870 -0.124 0.000 1.216 46 L CA 0.538 55.295 54.840 -0.138 0.000 0.915 46 L CB -1.340 40.646 42.059 -0.122 0.000 1.834 46 L HN 0.634 nan 8.230 nan 0.000 0.943 47 N N 0.300 118.918 118.700 -0.137 0.000 2.192 47 N HA -0.138 4.601 4.740 -0.001 0.000 0.188 47 N C 1.248 176.712 175.510 -0.077 0.000 1.013 47 N CA 1.748 54.729 53.050 -0.114 0.000 0.863 47 N CB -0.176 38.242 38.487 -0.115 0.000 0.990 47 N HN 0.580 nan 8.380 nan 0.000 0.430 48 N N 0.738 119.397 118.700 -0.068 0.000 2.398 48 N HA 0.093 4.832 4.740 -0.001 0.000 0.188 48 N C 0.611 176.095 175.510 -0.044 0.000 1.122 48 N CA -0.134 52.886 53.050 -0.050 0.000 0.866 48 N CB 0.514 38.975 38.487 -0.044 0.000 0.970 48 N HN 0.331 nan 8.380 nan 0.000 0.462 49 I N 1.373 121.912 120.570 -0.052 0.000 2.872 49 I HA -0.156 4.013 4.170 -0.001 0.000 0.291 49 I C 0.143 176.243 176.117 -0.029 0.000 1.216 49 I CA 0.186 61.459 61.300 -0.044 0.000 1.424 49 I CB 0.578 38.546 38.000 -0.054 0.000 1.351 49 I HN 0.071 nan 8.210 nan 0.000 0.592 50 Q N 5.138 124.927 119.800 -0.019 0.000 2.214 50 Q HA 0.543 4.882 4.340 -0.001 0.000 0.251 50 Q C -0.170 175.830 176.000 0.000 0.000 0.936 50 Q CA -0.886 54.913 55.803 -0.008 0.000 0.894 50 Q CB 1.456 30.192 28.738 -0.002 0.000 1.252 50 Q HN 0.770 nan 8.270 nan 0.000 0.448 51 A N 1.992 124.816 122.820 0.006 0.000 2.567 51 A HA -0.027 4.292 4.320 -0.001 0.000 0.240 51 A C 0.181 177.780 177.584 0.026 0.000 1.053 51 A CA 0.456 52.503 52.037 0.017 0.000 0.755 51 A CB -0.254 18.757 19.000 0.019 0.000 0.978 51 A HN 0.947 nan 8.150 nan 0.000 0.507 52 E N -0.516 119.707 120.200 0.039 0.000 3.413 52 E HA -0.185 4.164 4.350 -0.001 0.000 0.300 52 E C 0.124 176.757 176.600 0.055 0.000 0.891 52 E CA 1.190 57.625 56.400 0.058 0.000 1.050 52 E CB -1.231 28.500 29.700 0.051 0.000 1.534 52 E HN 0.927 nan 8.360 nan 0.000 0.436 53 E N 0.892 121.112 120.200 0.033 0.000 2.313 53 E HA 0.288 4.638 4.350 -0.001 0.000 0.276 53 E C -0.315 176.297 176.600 0.021 0.000 1.031 53 E CA -0.479 55.934 56.400 0.023 0.000 0.857 53 E CB 0.718 30.418 29.700 0.000 0.000 1.040 53 E HN 0.016 nan 8.360 nan 0.000 0.408 54 L N 4.595 125.838 121.223 0.034 0.000 2.439 54 L HA 0.167 4.507 4.340 -0.001 0.000 0.269 54 L C -0.398 176.454 176.870 -0.030 0.000 1.179 54 L CA 0.177 55.033 54.840 0.027 0.000 0.828 54 L CB 1.291 43.401 42.059 0.085 0.000 1.106 54 L HN 0.403 nan 8.230 nan 0.000 0.467 55 V N 0.596 120.466 119.914 -0.073 0.000 3.102 55 V HA 0.727 4.846 4.120 -0.001 0.000 0.312 55 V C -0.878 175.148 176.094 -0.112 0.000 1.135 55 V CA -0.843 61.374 62.300 -0.137 0.000 1.022 55 V CB 1.858 33.528 31.823 -0.255 0.000 1.056 55 V HN 0.828 nan 8.190 nan 0.000 0.436 56 E N 1.200 121.297 120.200 -0.171 0.000 2.222 56 E HA 0.621 4.970 4.350 -0.001 0.000 0.267 56 E C -1.878 174.614 176.600 -0.180 0.000 0.884 56 E CA -0.654 55.711 56.400 -0.058 0.000 0.764 56 E CB 1.904 31.597 29.700 -0.012 0.000 1.169 56 E HN 0.615 nan 8.360 nan 0.000 0.413 57 F N 1.679 121.615 119.950 -0.023 0.000 2.450 57 F HA 0.282 4.808 4.527 -0.001 0.000 0.328 57 F C 1.779 177.577 175.800 -0.003 0.000 1.068 57 F CA -0.503 57.488 58.000 -0.015 0.000 1.007 57 F CB 1.508 40.496 39.000 -0.019 0.000 1.251 57 F HN 0.512 nan 8.300 nan 0.000 0.492 58 S N 0.383 116.200 115.700 0.195 0.000 2.368 58 S HA -0.239 4.231 4.470 -0.001 0.000 0.226 58 S C 2.137 176.796 174.600 0.099 0.000 1.044 58 S CA 2.177 60.443 58.200 0.110 0.000 1.062 58 S CB -0.579 62.678 63.200 0.095 0.000 0.931 58 S HN 0.734 nan 8.310 nan 0.000 0.440 59 S N 0.010 115.777 115.700 0.110 0.000 2.500 59 S HA 0.149 4.618 4.470 -0.001 0.000 0.239 59 S C 1.624 176.269 174.600 0.075 0.000 0.989 59 S CA 1.209 59.452 58.200 0.072 0.000 0.951 59 S CB -0.476 62.753 63.200 0.048 0.000 0.759 59 S HN 0.979 nan 8.310 nan 0.000 0.523 60 G N 0.018 108.880 108.800 0.103 0.000 2.258 60 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.233 60 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.233 60 G C 0.242 175.212 174.900 0.118 0.000 1.006 60 G CA -0.052 45.105 45.100 0.094 0.000 0.620 60 G HN 0.795 nan 8.290 nan 0.000 0.511 61 V N 1.523 121.508 119.914 0.119 0.000 3.209 61 V HA 0.422 4.542 4.120 -0.001 0.000 0.305 61 V C 0.591 176.801 176.094 0.193 0.000 1.127 61 V CA 0.744 63.109 62.300 0.109 0.000 1.235 61 V CB 1.033 32.855 31.823 -0.001 0.000 0.987 61 V HN 0.387 nan 8.190 nan 0.000 0.499 62 K N 3.179 123.669 120.400 0.150 0.000 2.385 62 K HA 0.743 5.062 4.320 -0.001 0.000 0.248 62 K C -0.244 176.176 176.600 -0.300 0.000 0.955 62 K CA -0.347 55.994 56.287 0.089 0.000 0.816 62 K CB 2.173 34.782 32.500 0.182 0.000 1.250 62 K HN 0.890 nan 8.250 nan 0.000 0.434 63 G N 1.004 109.567 108.800 -0.395 0.000 2.694 63 G HA2 0.645 4.604 3.960 -0.001 0.000 0.290 63 G HA3 0.645 4.604 3.960 -0.001 0.000 0.290 63 G C -1.265 173.276 174.900 -0.597 0.000 1.386 63 G CA -0.936 43.721 45.100 -0.737 0.000 0.872 63 G HN 0.579 nan 8.290 nan 0.000 0.475 64 M N 0.098 119.449 119.600 -0.415 0.000 2.393 64 M HA 0.821 5.300 4.480 -0.001 0.000 0.316 64 M C -0.259 176.044 176.300 0.004 0.000 1.087 64 M CA -0.953 54.304 55.300 -0.073 0.000 0.937 64 M CB 2.524 35.216 32.600 0.153 0.000 1.668 64 M HN 0.696 nan 8.290 nan 0.000 0.438 65 A N 4.296 127.125 122.820 0.014 0.000 2.410 65 A HA 0.484 4.804 4.320 -0.001 0.000 0.292 65 A C 0.321 177.929 177.584 0.039 0.000 1.232 65 A CA -0.555 51.494 52.037 0.020 0.000 0.893 65 A CB -0.323 18.677 19.000 0.000 0.000 1.131 65 A HN 1.074 nan 8.150 nan 0.000 0.530 66 L N 2.554 123.803 121.223 0.043 0.000 2.515 66 L HA 0.324 4.663 4.340 -0.001 0.000 0.223 66 L C -0.105 176.787 176.870 0.036 0.000 1.079 66 L CA 0.580 55.449 54.840 0.049 0.000 0.857 66 L CB 0.128 42.219 42.059 0.054 0.000 1.050 66 L HN 0.608 nan 8.230 nan 0.000 0.476 67 I N 0.988 121.574 120.570 0.027 0.000 2.447 67 I HA 0.262 4.431 4.170 -0.001 0.000 0.287 67 I C -0.873 175.253 176.117 0.015 0.000 1.023 67 I CA -0.314 60.999 61.300 0.021 0.000 1.083 67 I CB 2.202 40.213 38.000 0.019 0.000 1.245 67 I HN -0.104 nan 8.210 nan 0.000 0.434 68 L N 6.492 127.721 121.223 0.011 0.000 2.262 68 L HA 0.541 4.880 4.340 -0.001 0.000 0.288 68 L C -0.095 176.778 176.870 0.006 0.000 1.035 68 L CA -0.293 54.549 54.840 0.003 0.000 0.820 68 L CB 1.129 43.187 42.059 -0.002 0.000 1.204 68 L HN 0.633 nan 8.230 nan 0.000 0.424 69 E N 3.063 123.268 120.200 0.007 0.000 2.339 69 E HA 0.375 4.724 4.350 -0.001 0.000 0.262 69 E C -1.695 174.911 176.600 0.010 0.000 0.934 69 E CA -1.720 54.687 56.400 0.012 0.000 0.802 69 E CB 2.179 31.891 29.700 0.020 0.000 1.275 69 E HN 0.292 nan 8.360 nan 0.000 0.427 70 P HA -0.211 nan 4.420 nan 0.000 0.209 70 P C 1.099 178.418 177.300 0.031 0.000 1.167 70 P CA 1.647 64.758 63.100 0.018 0.000 0.941 70 P CB -0.114 31.602 31.700 0.026 0.000 0.787 71 G N -1.292 107.547 108.800 0.064 0.000 2.448 71 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.218 71 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.218 71 G C 0.635 175.628 174.900 0.155 0.000 1.135 71 G CA 0.638 45.817 45.100 0.132 0.000 0.784 71 G HN 0.567 nan 8.290 nan 0.000 0.543 72 Q N -1.946 117.903 119.800 0.081 0.000 2.707 72 Q HA 0.632 4.971 4.340 -0.001 0.000 0.307 72 Q C -2.102 173.914 176.000 0.026 0.000 0.934 72 Q CA -0.939 54.910 55.803 0.077 0.000 0.753 72 Q CB 1.880 30.686 28.738 0.113 0.000 1.478 72 Q HN -0.063 nan 8.270 nan 0.000 0.458 73 V N 0.267 120.197 119.914 0.026 0.000 2.588 73 V HA 0.679 4.798 4.120 -0.001 0.000 0.304 73 V C -0.031 176.084 176.094 0.036 0.000 1.042 73 V CA -0.308 62.001 62.300 0.015 0.000 0.877 73 V CB 1.733 33.551 31.823 -0.008 0.000 0.996 73 V HN 0.847 nan 8.190 nan 0.000 0.425 74 G N 4.577 113.396 108.800 0.032 0.000 2.333 74 G HA2 0.679 4.638 3.960 -0.001 0.000 0.290 74 G HA3 0.679 4.638 3.960 -0.001 0.000 0.290 74 G C -0.778 174.147 174.900 0.041 0.000 1.150 74 G CA -0.237 44.885 45.100 0.037 0.000 0.895 74 G HN 0.597 nan 8.290 nan 0.000 0.444 75 I N 2.623 123.228 120.570 0.059 0.000 2.447 75 I HA 0.233 4.402 4.170 -0.001 0.000 0.287 75 I C 0.104 176.242 176.117 0.036 0.000 1.023 75 I CA -1.199 60.140 61.300 0.065 0.000 1.083 75 I CB 2.360 40.442 38.000 0.137 0.000 1.245 75 I HN 0.391 nan 8.210 nan 0.000 0.434 76 V N 5.701 125.625 119.914 0.017 0.000 2.498 76 V HA 0.524 4.644 4.120 -0.001 0.000 0.279 76 V C -0.119 175.943 176.094 -0.053 0.000 1.048 76 V CA -0.503 61.807 62.300 0.016 0.000 0.967 76 V CB 1.010 32.879 31.823 0.076 0.000 0.988 76 V HN 0.530 nan 8.190 nan 0.000 0.473 77 L N 4.255 125.450 121.223 -0.048 0.000 2.399 77 L HA 0.463 4.802 4.340 -0.001 0.000 0.266 77 L C 0.697 177.646 176.870 0.132 0.000 1.114 77 L CA -0.485 54.286 54.840 -0.115 0.000 0.804 77 L CB 0.942 42.899 42.059 -0.169 0.000 1.146 77 L HN 0.578 nan 8.230 nan 0.000 0.451 78 F N 0.030 119.995 119.950 0.024 0.000 2.714 78 F HA 0.266 4.792 4.527 -0.001 0.000 0.294 78 F C 1.274 177.087 175.800 0.021 0.000 1.120 78 F CA -0.507 57.518 58.000 0.042 0.000 1.398 78 F CB -0.305 38.733 39.000 0.064 0.000 1.120 78 F HN 0.463 nan 8.300 nan 0.000 0.589 79 G N -1.004 107.895 108.800 0.164 0.000 3.075 79 G HA2 0.343 4.303 3.960 -0.001 0.000 0.253 79 G HA3 0.343 4.303 3.960 -0.001 0.000 0.253 79 G C -0.691 174.224 174.900 0.025 0.000 1.353 79 G CA -0.564 44.586 45.100 0.083 0.000 1.051 79 G HN -0.050 nan 8.290 nan 0.000 0.553 80 S N 0.001 115.704 115.700 0.006 0.000 2.537 80 S HA 0.060 4.529 4.470 -0.001 0.000 0.286 80 S C 1.189 175.757 174.600 -0.053 0.000 1.299 80 S CA 0.212 58.404 58.200 -0.013 0.000 1.067 80 S CB 0.377 63.572 63.200 -0.007 0.000 0.864 80 S HN 0.567 nan 8.310 nan 0.000 0.494 81 D N 4.328 124.694 120.400 -0.057 0.000 2.358 81 D HA -0.106 4.533 4.640 -0.001 0.000 0.241 81 D C 1.317 177.573 176.300 -0.073 0.000 1.094 81 D CA 0.131 54.077 54.000 -0.090 0.000 0.907 81 D CB -0.183 40.572 40.800 -0.075 0.000 0.893 81 D HN 0.712 nan 8.370 nan 0.000 0.528 82 R N 0.410 120.879 120.500 -0.052 0.000 2.173 82 R HA 0.093 4.432 4.340 -0.001 0.000 0.208 82 R C 1.765 178.041 176.300 -0.041 0.000 1.035 82 R CA 0.084 56.161 56.100 -0.037 0.000 1.004 82 R CB -0.230 30.058 30.300 -0.020 0.000 0.917 82 R HN 0.129 nan 8.270 nan 0.000 0.462 83 L N 1.285 122.475 121.223 -0.055 0.000 2.622 83 L HA 0.103 4.442 4.340 -0.001 0.000 0.233 83 L C -0.172 176.656 176.870 -0.070 0.000 1.156 83 L CA -0.021 54.790 54.840 -0.049 0.000 0.866 83 L CB 0.342 42.373 42.059 -0.045 0.000 0.980 83 L HN -0.037 nan 8.230 nan 0.000 0.448 84 V N -0.738 119.114 119.914 -0.105 0.000 2.815 84 V HA 0.437 4.556 4.120 -0.001 0.000 0.314 84 V C -0.096 175.975 176.094 -0.038 0.000 1.064 84 V CA -0.918 61.319 62.300 -0.105 0.000 0.952 84 V CB 2.235 33.897 31.823 -0.267 0.000 1.020 84 V HN 0.065 nan 8.190 nan 0.000 0.439 85 K N 1.122 121.527 120.400 0.008 0.000 2.482 85 K HA 0.445 4.764 4.320 -0.001 0.000 0.257 85 K C -0.763 175.860 176.600 0.040 0.000 0.969 85 K CA -0.867 55.430 56.287 0.018 0.000 0.842 85 K CB 2.786 35.299 32.500 0.020 0.000 1.359 85 K HN 0.800 nan 8.250 nan 0.000 0.441 86 E N 0.090 120.308 120.200 0.029 0.000 2.392 86 E HA 0.065 4.414 4.350 -0.001 0.000 0.264 86 E C 0.532 177.154 176.600 0.038 0.000 1.024 86 E CA 1.234 57.655 56.400 0.035 0.000 0.903 86 E CB 0.357 30.068 29.700 0.019 0.000 0.963 86 E HN 0.759 nan 8.360 nan 0.000 0.432 87 G N 3.497 112.324 108.800 0.046 0.000 2.225 87 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.254 87 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.254 87 G C 0.305 175.238 174.900 0.055 0.000 0.988 87 G CA 0.430 45.555 45.100 0.042 0.000 0.625 87 G HN 0.636 nan 8.290 nan 0.000 0.527 88 E N -0.010 120.235 120.200 0.074 0.000 2.418 88 E HA 0.457 4.806 4.350 -0.001 0.000 0.261 88 E C 0.403 177.053 176.600 0.085 0.000 1.070 88 E CA -0.454 56.001 56.400 0.091 0.000 0.931 88 E CB 0.414 30.197 29.700 0.137 0.000 0.954 88 E HN 0.468 nan 8.360 nan 0.000 0.439 89 L N 3.997 125.256 121.223 0.060 0.000 2.334 89 L HA 0.434 4.773 4.340 -0.001 0.000 0.277 89 L C -1.329 175.510 176.870 -0.051 0.000 1.075 89 L CA -0.436 54.411 54.840 0.012 0.000 0.804 89 L CB 1.494 43.556 42.059 0.005 0.000 1.174 89 L HN 0.317 nan 8.230 nan 0.000 0.438 90 V N 4.011 123.840 119.914 -0.142 0.000 2.656 90 V HA 0.557 4.676 4.120 -0.001 0.000 0.307 90 V C -0.517 175.426 176.094 -0.252 0.000 1.051 90 V CA -0.940 61.151 62.300 -0.348 0.000 0.893 90 V CB 1.778 33.298 31.823 -0.506 0.000 0.999 90 V HN 0.735 nan 8.190 nan 0.000 0.426 91 K N 3.021 123.261 120.400 -0.266 0.000 2.203 91 K HA 0.634 4.953 4.320 -0.001 0.000 0.251 91 K C -0.671 175.832 176.600 -0.160 0.000 0.944 91 K CA -0.914 55.275 56.287 -0.164 0.000 0.829 91 K CB 2.462 34.899 32.500 -0.106 0.000 1.125 91 K HN 0.478 nan 8.250 nan 0.000 0.430 92 R N 1.229 121.662 120.500 -0.112 0.000 2.298 92 R HA 0.032 4.371 4.340 -0.001 0.000 0.310 92 R C 1.132 177.396 176.300 -0.060 0.000 1.068 92 R CA 0.082 56.129 56.100 -0.088 0.000 0.957 92 R CB 0.792 31.050 30.300 -0.070 0.000 1.003 92 R HN 0.838 nan 8.270 nan 0.000 0.454 93 T N -0.396 114.130 114.554 -0.047 0.000 3.067 93 T HA 0.059 4.409 4.350 -0.001 0.000 0.257 93 T C 1.294 175.986 174.700 -0.013 0.000 1.105 93 T CA 0.565 62.652 62.100 -0.021 0.000 1.104 93 T CB 0.242 69.109 68.868 -0.002 0.000 0.925 93 T HN 0.799 nan 8.240 nan 0.000 0.498 94 G N 1.841 110.631 108.800 -0.018 0.000 2.179 94 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.257 94 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.257 94 G C -0.318 174.582 174.900 -0.000 0.000 1.010 94 G CA 0.068 45.161 45.100 -0.012 0.000 0.736 94 G HN 0.672 nan 8.290 nan 0.000 0.513 95 N N 0.072 118.777 118.700 0.008 0.000 2.346 95 N HA 0.462 5.201 4.740 -0.001 0.000 0.289 95 N C 0.502 176.030 175.510 0.031 0.000 1.027 95 N CA -0.757 52.305 53.050 0.020 0.000 0.864 95 N CB 1.377 39.880 38.487 0.027 0.000 1.370 95 N HN 0.073 nan 8.380 nan 0.000 0.481 96 I N 1.141 121.729 120.570 0.029 0.000 2.813 96 I HA -0.016 4.153 4.170 -0.001 0.000 0.287 96 I C 0.884 177.035 176.117 0.057 0.000 1.196 96 I CA -0.277 61.046 61.300 0.039 0.000 1.421 96 I CB 0.080 38.095 38.000 0.026 0.000 1.365 96 I HN 0.169 nan 8.210 nan 0.000 0.591 97 V N 5.476 125.439 119.914 0.083 0.000 2.583 97 V HA -0.095 4.024 4.120 -0.001 0.000 0.302 97 V C 0.241 176.371 176.094 0.061 0.000 1.033 97 V CA 0.378 62.741 62.300 0.104 0.000 1.194 97 V CB -0.712 31.185 31.823 0.123 0.000 0.879 97 V HN 0.965 nan 8.190 nan 0.000 0.482 98 D N 3.736 124.171 120.400 0.058 0.000 2.652 98 D HA 0.723 5.362 4.640 -0.001 0.000 0.285 98 D C -1.008 175.310 176.300 0.031 0.000 1.173 98 D CA -0.780 53.242 54.000 0.038 0.000 0.981 98 D CB 2.215 43.033 40.800 0.030 0.000 1.440 98 D HN 0.414 nan 8.370 nan 0.000 0.485 99 V N -0.359 119.568 119.914 0.021 0.000 3.012 99 V HA 0.610 4.729 4.120 -0.001 0.000 0.307 99 V C -2.752 173.339 176.094 -0.005 0.000 1.166 99 V CA -2.095 60.212 62.300 0.011 0.000 0.974 99 V CB 2.520 34.352 31.823 0.015 0.000 1.040 99 V HN 0.642 nan 8.190 nan 0.000 0.428 100 P HA 0.293 nan 4.420 nan 0.000 0.271 100 P C -0.930 176.321 177.300 -0.080 0.000 1.216 100 P CA 0.259 63.328 63.100 -0.052 0.000 0.776 100 P CB 1.221 32.887 31.700 -0.055 0.000 0.881 101 V N -0.825 119.006 119.914 -0.139 0.000 2.962 101 V HA 1.022 5.141 4.120 -0.001 0.000 0.313 101 V C -0.098 175.682 176.094 -0.524 0.000 1.099 101 V CA -0.423 61.744 62.300 -0.222 0.000 0.971 101 V CB 1.455 33.221 31.823 -0.094 0.000 1.028 101 V HN 0.999 nan 8.190 nan 0.000 0.430 102 G N 2.485 110.765 108.800 -0.867 0.000 2.334 102 G HA2 0.242 4.201 3.960 -0.001 0.000 0.566 102 G HA3 0.242 4.201 3.960 -0.001 0.000 0.566 102 G C -2.548 171.714 174.900 -1.064 0.000 1.413 102 G CA 0.006 44.196 45.100 -1.517 0.000 0.993 102 G HN 0.694 nan 8.290 nan 0.000 0.642 103 P HA -0.005 nan 4.420 nan 0.000 0.226 103 P C 1.937 179.099 177.300 -0.230 0.000 1.153 103 P CA 1.623 64.450 63.100 -0.455 0.000 0.777 103 P CB -0.143 31.367 31.700 -0.317 0.000 0.794 104 G N 0.541 109.168 108.800 -0.288 0.000 2.485 104 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.221 104 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.221 104 G C 1.403 176.241 174.900 -0.104 0.000 1.115 104 G CA 0.482 45.483 45.100 -0.164 0.000 0.751 104 G HN 0.237 nan 8.290 nan 0.000 0.567 105 L N 0.075 121.230 121.223 -0.114 0.000 2.313 105 L HA 0.251 4.590 4.340 -0.001 0.000 0.214 105 L C 1.314 178.199 176.870 0.025 0.000 1.119 105 L CA 0.036 54.852 54.840 -0.040 0.000 0.809 105 L CB -0.254 41.784 42.059 -0.035 0.000 0.933 105 L HN 0.106 nan 8.230 nan 0.000 0.449 106 L N 0.288 121.546 121.223 0.057 0.000 2.640 106 L HA 0.045 4.384 4.340 -0.001 0.000 0.280 106 L C 1.468 178.373 176.870 0.059 0.000 1.229 106 L CA 0.925 55.827 54.840 0.103 0.000 0.919 106 L CB -0.274 41.874 42.059 0.149 0.000 1.168 106 L HN 0.440 nan 8.230 nan 0.000 0.496 107 G N 1.880 110.708 108.800 0.047 0.000 2.176 107 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.253 107 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.253 107 G C 0.244 175.147 174.900 0.004 0.000 0.979 107 G CA -0.397 44.712 45.100 0.014 0.000 0.641 107 G HN 0.466 nan 8.290 nan 0.000 0.530 108 R N -0.261 120.246 120.500 0.012 0.000 2.598 108 R HA 0.704 5.043 4.340 -0.001 0.000 0.279 108 R C -0.332 175.975 176.300 0.012 0.000 0.984 108 R CA -0.815 55.289 56.100 0.006 0.000 0.999 108 R CB 1.669 31.971 30.300 0.002 0.000 1.114 108 R HN 0.231 nan 8.270 nan 0.000 0.493 109 V N 2.797 122.716 119.914 0.009 0.000 2.350 109 V HA 0.336 4.455 4.120 -0.001 0.000 0.285 109 V C 0.112 176.214 176.094 0.013 0.000 1.014 109 V CA -0.758 61.551 62.300 0.016 0.000 0.831 109 V CB 1.426 33.257 31.823 0.013 0.000 1.000 109 V HN 0.581 nan 8.190 nan 0.000 0.433 110 V N 1.323 121.246 119.914 0.015 0.000 2.919 110 V HA 0.799 4.918 4.120 -0.001 0.000 0.316 110 V C -0.204 175.893 176.094 0.005 0.000 1.077 110 V CA -0.908 61.397 62.300 0.008 0.000 0.977 110 V CB 2.029 33.854 31.823 0.004 0.000 1.039 110 V HN 0.775 nan 8.190 nan 0.000 0.441 111 D N 2.039 122.438 120.400 -0.003 0.000 2.447 111 D HA 0.444 5.083 4.640 -0.001 0.000 0.265 111 D C 1.327 177.610 176.300 -0.028 0.000 1.250 111 D CA 0.137 54.129 54.000 -0.013 0.000 1.046 111 D CB 1.029 41.820 40.800 -0.016 0.000 1.095 111 D HN 0.804 nan 8.370 nan 0.000 0.555 112 A N -0.430 122.358 122.820 -0.053 0.000 1.948 112 A HA -0.142 4.177 4.320 -0.001 0.000 0.220 112 A C 2.231 179.773 177.584 -0.071 0.000 1.177 112 A CA 1.552 53.545 52.037 -0.073 0.000 0.636 112 A CB -0.901 18.024 19.000 -0.124 0.000 0.815 112 A HN 0.559 nan 8.150 nan 0.000 0.449 113 L N -1.793 119.385 121.223 -0.076 0.000 2.607 113 L HA 0.312 4.651 4.340 -0.001 0.000 0.228 113 L C 1.441 178.304 176.870 -0.013 0.000 1.123 113 L CA 0.437 55.251 54.840 -0.044 0.000 0.890 113 L CB 0.056 42.090 42.059 -0.041 0.000 1.103 113 L HN 0.562 nan 8.230 nan 0.000 0.468 114 G N -0.071 108.721 108.800 -0.014 0.000 2.131 114 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.223 114 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.223 114 G C -0.065 174.832 174.900 -0.005 0.000 0.990 114 G CA -0.508 44.587 45.100 -0.008 0.000 0.671 114 G HN 0.328 nan 8.290 nan 0.000 0.521 115 N N 1.875 120.573 118.700 -0.002 0.000 2.497 115 N HA 0.364 5.103 4.740 -0.001 0.000 0.271 115 N C -2.507 173.004 175.510 0.002 0.000 1.142 115 N CA -0.860 52.192 53.050 0.004 0.000 0.965 115 N CB 1.500 39.994 38.487 0.011 0.000 1.077 115 N HN 0.177 nan 8.380 nan 0.000 0.462 116 P HA 0.132 nan 4.420 nan 0.000 0.276 116 P C 0.626 177.929 177.300 0.004 0.000 1.253 116 P CA -0.105 62.995 63.100 0.001 0.000 0.766 116 P CB 0.374 32.073 31.700 -0.002 0.000 0.845 117 I N 0.555 121.128 120.570 0.006 0.000 3.976 117 I HA 0.175 4.344 4.170 -0.001 0.000 0.337 117 I C 0.350 176.471 176.117 0.007 0.000 1.359 117 I CA -0.010 61.295 61.300 0.008 0.000 1.098 117 I CB -0.101 37.905 38.000 0.010 0.000 1.027 117 I HN 0.050 nan 8.210 nan 0.000 0.394 118 D N 1.191 121.593 120.400 0.004 0.000 2.340 118 D HA 0.120 4.759 4.640 -0.001 0.000 0.217 118 D C 1.482 177.782 176.300 0.000 0.000 1.081 118 D CA 0.306 54.307 54.000 0.002 0.000 0.842 118 D CB -0.006 40.795 40.800 0.001 0.000 0.934 118 D HN 0.408 nan 8.370 nan 0.000 0.511 119 G N 1.042 109.843 108.800 0.001 0.000 2.273 119 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.280 119 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.280 119 G C 0.412 175.311 174.900 -0.001 0.000 1.047 119 G CA 0.334 45.435 45.100 0.001 0.000 0.869 119 G HN 0.456 nan 8.290 nan 0.000 0.502 120 K N -0.103 120.296 120.400 -0.002 0.000 2.758 120 K HA 0.481 4.800 4.320 -0.001 0.000 0.208 120 K C 1.298 177.895 176.600 -0.005 0.000 1.091 120 K CA 0.137 56.422 56.287 -0.004 0.000 1.059 120 K CB 0.536 33.033 32.500 -0.005 0.000 0.801 120 K HN 1.442 nan 8.250 nan 0.000 0.470 121 G N 2.259 111.057 108.800 -0.003 0.000 2.750 121 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.228 121 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.228 121 G C -2.613 172.283 174.900 -0.007 0.000 1.367 121 G CA -1.116 43.981 45.100 -0.004 0.000 0.871 121 G HN 0.111 nan 8.290 nan 0.000 0.560 122 P HA 0.489 nan 4.420 nan 0.000 0.274 122 P C 0.233 177.521 177.300 -0.019 0.000 1.260 122 P CA -0.576 62.517 63.100 -0.012 0.000 0.793 122 P CB 0.384 32.076 31.700 -0.012 0.000 1.048 123 I N 1.054 121.609 120.570 -0.024 0.000 2.385 123 I HA 0.166 4.335 4.170 -0.001 0.000 0.294 123 I C 0.054 176.140 176.117 -0.052 0.000 0.988 123 I CA -0.203 61.074 61.300 -0.038 0.000 1.265 123 I CB 0.570 38.547 38.000 -0.039 0.000 1.388 123 I HN 0.195 nan 8.210 nan 0.000 0.480 124 D N 5.348 125.707 120.400 -0.068 0.000 2.428 124 D HA 0.460 5.099 4.640 -0.001 0.000 0.221 124 D C 0.118 176.341 176.300 -0.129 0.000 1.123 124 D CA -0.033 53.916 54.000 -0.084 0.000 0.869 124 D CB 1.280 42.034 40.800 -0.078 0.000 1.032 124 D HN 0.564 nan 8.370 nan 0.000 0.506 125 A N 1.429 124.175 122.820 -0.122 0.000 2.304 125 A HA 0.623 4.942 4.320 -0.001 0.000 0.301 125 A C 1.034 178.510 177.584 -0.181 0.000 1.132 125 A CA -0.370 51.568 52.037 -0.164 0.000 0.819 125 A CB 1.181 20.111 19.000 -0.117 0.000 1.094 125 A HN 0.502 nan 8.150 nan 0.000 0.492 126 A N 1.160 123.819 122.820 -0.269 0.000 2.147 126 A HA 0.546 4.865 4.320 -0.001 0.000 0.211 126 A C 1.088 178.605 177.584 -0.111 0.000 1.160 126 A CA 1.348 53.253 52.037 -0.220 0.000 0.781 126 A CB -0.302 18.473 19.000 -0.376 0.000 0.842 126 A HN 2.175 nan 8.150 nan 0.000 0.475 127 G N -1.228 107.505 108.800 -0.110 0.000 2.341 127 G HA2 0.506 4.465 3.960 -0.001 0.000 0.299 127 G HA3 0.506 4.465 3.960 -0.001 0.000 0.299 127 G C -1.504 173.370 174.900 -0.043 0.000 1.274 127 G CA -0.973 44.101 45.100 -0.043 0.000 0.853 127 G HN 0.239 nan 8.290 nan 0.000 0.493 128 R N -0.661 119.832 120.500 -0.011 0.000 2.725 128 R HA 0.758 5.097 4.340 -0.001 0.000 0.277 128 R C -1.261 175.048 176.300 0.015 0.000 0.987 128 R CA -0.732 55.366 56.100 -0.004 0.000 0.901 128 R CB 2.377 32.676 30.300 -0.002 0.000 1.207 128 R HN 0.496 nan 8.270 nan 0.000 0.463 129 S N 1.269 116.982 115.700 0.021 0.000 2.536 129 S HA 0.432 4.901 4.470 -0.001 0.000 0.287 129 S C -0.614 174.004 174.600 0.029 0.000 1.101 129 S CA -0.923 57.296 58.200 0.032 0.000 0.950 129 S CB 2.009 65.237 63.200 0.047 0.000 1.056 129 S HN 0.405 nan 8.310 nan 0.000 0.481 130 R N 0.950 121.465 120.500 0.025 0.000 2.698 130 R HA 0.242 4.581 4.340 -0.001 0.000 0.266 130 R C 1.449 177.761 176.300 0.020 0.000 1.026 130 R CA 0.386 56.498 56.100 0.019 0.000 1.102 130 R CB 0.128 30.433 30.300 0.008 0.000 0.978 130 R HN 0.828 nan 8.270 nan 0.000 0.436 131 A N 2.789 125.616 122.820 0.012 0.000 1.972 131 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 131 A C 0.321 177.881 177.584 -0.040 0.000 1.169 131 A CA 1.195 53.240 52.037 0.014 0.000 0.635 131 A CB 0.071 19.071 19.000 -0.001 0.000 0.810 131 A HN 0.507 nan 8.150 nan 0.000 0.446 132 Q N 0.092 119.834 119.800 -0.097 0.000 2.340 132 Q HA 0.555 4.894 4.340 -0.001 0.000 0.259 132 Q C -1.350 174.615 176.000 -0.058 0.000 0.964 132 Q CA -0.015 55.696 55.803 -0.153 0.000 0.900 132 Q CB 1.476 30.099 28.738 -0.192 0.000 1.228 132 Q HN 0.106 nan 8.270 nan 0.000 0.449 133 V N 3.269 123.163 119.914 -0.033 0.000 2.686 133 V HA 0.255 4.374 4.120 -0.001 0.000 0.306 133 V C -0.114 175.985 176.094 0.009 0.000 1.065 133 V CA -1.082 61.220 62.300 0.004 0.000 0.894 133 V CB 2.307 34.147 31.823 0.029 0.000 1.004 133 V HN 0.568 nan 8.190 nan 0.000 0.424 134 K N 2.984 123.393 120.400 0.016 0.000 2.511 134 K HA 0.266 4.585 4.320 -0.001 0.000 0.280 134 K C 0.416 177.032 176.600 0.028 0.000 1.008 134 K CA 0.175 56.478 56.287 0.026 0.000 1.050 134 K CB 0.797 33.313 32.500 0.027 0.000 0.889 134 K HN 0.848 nan 8.250 nan 0.000 0.484 135 A N 5.737 128.576 122.820 0.031 0.000 2.445 135 A HA 0.276 4.595 4.320 -0.001 0.000 0.242 135 A C -1.958 175.644 177.584 0.029 0.000 1.075 135 A CA -1.118 50.937 52.037 0.030 0.000 0.777 135 A CB -0.406 18.612 19.000 0.029 0.000 1.013 135 A HN 0.415 nan 8.150 nan 0.000 0.493 136 P HA 0.180 nan 4.420 nan 0.000 0.265 136 P C 0.729 178.043 177.300 0.024 0.000 1.187 136 P CA 0.655 63.768 63.100 0.022 0.000 0.766 136 P CB 0.478 32.190 31.700 0.019 0.000 0.820 137 G N 1.928 110.742 108.800 0.022 0.000 2.516 137 G HA2 0.107 4.067 3.960 -0.001 0.000 0.276 137 G HA3 0.107 4.067 3.960 -0.001 0.000 0.276 137 G C 1.102 176.016 174.900 0.023 0.000 1.390 137 G CA -0.564 44.550 45.100 0.024 0.000 1.050 137 G HN 0.387 nan 8.290 nan 0.000 0.519 138 I N -0.624 119.960 120.570 0.023 0.000 2.353 138 I HA -0.057 4.112 4.170 -0.001 0.000 0.248 138 I C 2.599 178.727 176.117 0.019 0.000 1.119 138 I CA 0.863 62.176 61.300 0.022 0.000 1.417 138 I CB -0.838 37.175 38.000 0.022 0.000 1.078 138 I HN 0.289 nan 8.210 nan 0.000 0.421 139 L N 2.646 123.878 121.223 0.016 0.000 2.049 139 L HA 0.041 4.380 4.340 -0.001 0.000 0.203 139 L C -0.937 175.941 176.870 0.014 0.000 1.074 139 L CA 1.808 56.657 54.840 0.014 0.000 0.749 139 L CB -1.691 40.375 42.059 0.012 0.000 0.907 139 L HN 0.066 nan 8.230 nan 0.000 0.439 140 P HA 0.028 nan 4.420 nan 0.000 0.261 140 P C -0.830 176.477 177.300 0.013 0.000 1.650 140 P CA 0.465 63.572 63.100 0.010 0.000 0.846 140 P CB -0.316 31.388 31.700 0.008 0.000 1.758 141 R N 0.167 120.677 120.500 0.016 0.000 2.651 141 R HA 0.492 4.831 4.340 -0.001 0.000 0.278 141 R C -0.283 176.032 176.300 0.025 0.000 1.010 141 R CA -0.862 55.250 56.100 0.019 0.000 0.896 141 R CB 2.607 32.918 30.300 0.018 0.000 1.211 141 R HN 0.007 nan 8.270 nan 0.000 0.456 142 R N 0.985 121.504 120.500 0.032 0.000 2.664 142 R HA 0.351 4.690 4.340 -0.001 0.000 0.286 142 R C -0.668 175.664 176.300 0.053 0.000 0.967 142 R CA -0.430 55.702 56.100 0.052 0.000 0.933 142 R CB 1.986 32.334 30.300 0.081 0.000 1.146 142 R HN 0.673 nan 8.270 nan 0.000 0.468 143 S N 1.336 117.077 115.700 0.068 0.000 2.558 143 S HA -0.019 4.450 4.470 -0.001 0.000 0.291 143 S C 0.122 174.767 174.600 0.076 0.000 1.306 143 S CA -0.310 57.929 58.200 0.065 0.000 1.056 143 S CB 0.502 63.741 63.200 0.065 0.000 0.836 143 S HN 0.343 nan 8.310 nan 0.000 0.504 144 V N 5.585 125.510 119.914 0.019 0.000 2.450 144 V HA 0.074 4.193 4.120 -0.001 0.000 0.281 144 V C 1.409 177.505 176.094 0.002 0.000 1.019 144 V CA 0.516 62.790 62.300 -0.042 0.000 1.062 144 V CB -0.443 31.352 31.823 -0.046 0.000 0.979 144 V HN 1.097 nan 8.190 nan 0.000 0.477 145 H N 2.161 121.199 119.070 -0.054 0.000 3.580 145 H HA 0.304 4.859 4.556 -0.001 0.000 0.245 145 H C 0.168 175.450 175.328 -0.077 0.000 1.015 145 H CA -0.457 55.558 56.048 -0.055 0.000 1.113 145 H CB 0.845 30.581 29.762 -0.043 0.000 1.469 145 H HN 0.568 nan 8.280 nan 0.000 0.554 146 E N 3.912 123.851 120.200 -0.435 0.000 2.259 146 E HA 0.302 4.651 4.350 -0.001 0.000 0.281 146 E C -2.578 173.878 176.600 -0.240 0.000 1.027 146 E CA -2.029 54.200 56.400 -0.286 0.000 0.838 146 E CB 1.594 31.042 29.700 -0.420 0.000 1.066 146 E HN 0.297 nan 8.360 nan 0.000 0.401 147 P HA 0.043 nan 4.420 nan 0.000 0.274 147 P C -0.857 176.298 177.300 -0.240 0.000 1.231 147 P CA -0.354 62.645 63.100 -0.168 0.000 0.790 147 P CB 0.692 32.322 31.700 -0.117 0.000 0.951 148 V N 3.278 123.081 119.914 -0.185 0.000 2.266 148 V HA 0.161 4.281 4.120 -0.001 0.000 0.271 148 V C 0.243 176.274 176.094 -0.106 0.000 1.032 148 V CA -0.352 61.833 62.300 -0.190 0.000 0.806 148 V CB 0.074 31.812 31.823 -0.141 0.000 1.052 148 V HN 0.501 nan 8.190 nan 0.000 0.449 149 Q N 1.847 121.588 119.800 -0.099 0.000 2.255 149 Q HA 0.066 4.405 4.340 -0.001 0.000 0.280 149 Q C 1.487 177.547 176.000 0.098 0.000 1.068 149 Q CA 0.604 56.442 55.803 0.059 0.000 0.911 149 Q CB 0.960 29.843 28.738 0.241 0.000 1.157 149 Q HN 0.913 nan 8.270 nan 0.000 0.380 150 T N -1.027 113.565 114.554 0.063 0.000 3.009 150 T HA 0.147 4.496 4.350 -0.001 0.000 0.258 150 T C 1.374 176.112 174.700 0.063 0.000 1.063 150 T CA 0.413 62.546 62.100 0.055 0.000 1.139 150 T CB 0.103 68.986 68.868 0.026 0.000 0.890 150 T HN 0.875 nan 8.240 nan 0.000 0.471 151 G N 1.293 110.132 108.800 0.065 0.000 2.176 151 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.253 151 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.253 151 G C -0.088 174.825 174.900 0.022 0.000 0.979 151 G CA 0.068 45.195 45.100 0.045 0.000 0.641 151 G HN 0.637 nan 8.290 nan 0.000 0.530 152 L N 0.575 121.809 121.223 0.018 0.000 2.257 152 L HA 0.404 4.743 4.340 -0.001 0.000 0.290 152 L C 1.743 178.622 176.870 0.015 0.000 1.044 152 L CA -0.811 54.033 54.840 0.007 0.000 0.810 152 L CB 1.169 43.226 42.059 -0.003 0.000 1.193 152 L HN 0.042 nan 8.230 nan 0.000 0.425 153 K N 2.441 122.850 120.400 0.016 0.000 2.059 153 K HA -0.263 4.056 4.320 -0.001 0.000 0.212 153 K C 2.042 178.658 176.600 0.027 0.000 1.050 153 K CA 1.950 58.252 56.287 0.025 0.000 0.927 153 K CB -0.156 32.361 32.500 0.029 0.000 0.714 153 K HN 0.820 nan 8.250 nan 0.000 0.447 154 A N 0.861 123.693 122.820 0.021 0.000 1.883 154 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 154 A C 2.424 180.023 177.584 0.026 0.000 1.186 154 A CA 1.748 53.800 52.037 0.025 0.000 0.624 154 A CB -0.724 18.286 19.000 0.017 0.000 0.822 154 A HN 0.094 nan 8.150 nan 0.000 0.444 155 V N 0.272 120.197 119.914 0.019 0.000 2.270 155 V HA -0.225 3.894 4.120 -0.001 0.000 0.245 155 V C 2.203 178.310 176.094 0.021 0.000 1.043 155 V CA 2.348 64.659 62.300 0.019 0.000 1.014 155 V CB -0.996 30.834 31.823 0.012 0.000 0.645 155 V HN 0.499 nan 8.190 nan 0.000 0.447 156 D N 0.340 120.753 120.400 0.023 0.000 2.158 156 D HA -0.146 4.493 4.640 -0.001 0.000 0.197 156 D C 2.055 178.371 176.300 0.027 0.000 0.995 156 D CA 1.654 55.668 54.000 0.025 0.000 0.846 156 D CB -0.191 40.628 40.800 0.032 0.000 0.941 156 D HN 0.451 nan 8.370 nan 0.000 0.456 157 A N -0.831 122.008 122.820 0.031 0.000 1.975 157 A HA 0.117 4.436 4.320 -0.001 0.000 0.215 157 A C 1.934 179.540 177.584 0.036 0.000 1.170 157 A CA 0.597 52.655 52.037 0.035 0.000 0.656 157 A CB -0.011 19.013 19.000 0.040 0.000 0.821 157 A HN 0.233 nan 8.150 nan 0.000 0.449 158 L N -1.558 119.686 121.223 0.036 0.000 2.717 158 L HA 0.211 4.551 4.340 -0.001 0.000 0.239 158 L C -0.346 176.544 176.870 0.034 0.000 1.086 158 L CA 0.150 55.014 54.840 0.039 0.000 0.897 158 L CB 1.034 43.121 42.059 0.047 0.000 1.214 158 L HN 0.039 nan 8.230 nan 0.000 0.508 159 V N 1.065 120.996 119.914 0.028 0.000 2.546 159 V HA 0.257 4.376 4.120 -0.001 0.000 0.260 159 V C -2.533 173.570 176.094 0.014 0.000 0.933 159 V CA -1.056 61.258 62.300 0.023 0.000 0.994 159 V CB 0.605 32.445 31.823 0.027 0.000 1.160 159 V HN -0.033 nan 8.190 nan 0.000 0.523 160 P HA 0.407 nan 4.420 nan 0.000 0.275 160 P C -0.475 176.819 177.300 -0.011 0.000 1.228 160 P CA 0.087 63.187 63.100 0.000 0.000 0.786 160 P CB 1.740 33.440 31.700 0.001 0.000 0.927 161 I N 1.244 121.799 120.570 -0.025 0.000 2.433 161 I HA 0.522 4.691 4.170 -0.001 0.000 0.292 161 I C 0.905 176.981 176.117 -0.070 0.000 1.001 161 I CA -0.510 60.767 61.300 -0.039 0.000 1.119 161 I CB 2.113 40.091 38.000 -0.036 0.000 1.289 161 I HN 0.353 nan 8.210 nan 0.000 0.438 162 G N 4.335 113.088 108.800 -0.079 0.000 2.489 162 G HA2 0.500 4.459 3.960 -0.001 0.000 0.327 162 G HA3 0.500 4.459 3.960 -0.001 0.000 0.327 162 G C -0.562 174.246 174.900 -0.153 0.000 1.189 162 G CA -0.912 44.114 45.100 -0.124 0.000 0.962 162 G HN 0.530 nan 8.290 nan 0.000 0.486 163 R N 0.309 120.671 120.500 -0.230 0.000 2.457 163 R HA 0.323 4.662 4.340 -0.001 0.000 0.335 163 R C 1.091 177.288 176.300 -0.171 0.000 1.003 163 R CA 1.005 56.954 56.100 -0.253 0.000 1.003 163 R CB 0.112 30.156 30.300 -0.426 0.000 0.950 163 R HN 1.161 nan 8.270 nan 0.000 0.428 164 G N 2.018 110.756 108.800 -0.103 0.000 2.192 164 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.193 164 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.193 164 G C 0.112 174.989 174.900 -0.039 0.000 0.999 164 G CA -0.349 44.718 45.100 -0.055 0.000 0.659 164 G HN 0.569 nan 8.290 nan 0.000 0.503 165 Q N 0.332 120.102 119.800 -0.050 0.000 2.293 165 Q HA 0.627 4.966 4.340 -0.001 0.000 0.251 165 Q C -0.045 175.944 176.000 -0.019 0.000 0.930 165 Q CA -0.459 55.325 55.803 -0.032 0.000 0.893 165 Q CB 0.409 29.125 28.738 -0.037 0.000 1.215 165 Q HN 0.294 nan 8.270 nan 0.000 0.425 166 R N 2.547 123.042 120.500 -0.008 0.000 2.229 166 R HA 0.282 4.621 4.340 -0.001 0.000 0.332 166 R C -1.227 175.071 176.300 -0.003 0.000 0.989 166 R CA -0.451 55.649 56.100 -0.001 0.000 0.842 166 R CB 1.269 31.570 30.300 0.002 0.000 1.119 166 R HN 0.441 nan 8.270 nan 0.000 0.456 167 E N 2.910 123.108 120.200 -0.003 0.000 2.220 167 E HA 0.254 4.603 4.350 -0.001 0.000 0.256 167 E C -1.494 175.107 176.600 0.002 0.000 0.881 167 E CA -0.887 55.513 56.400 0.000 0.000 0.766 167 E CB 0.884 30.582 29.700 -0.003 0.000 1.187 167 E HN 0.374 nan 8.360 nan 0.000 0.419 168 L N 5.683 126.909 121.223 0.004 0.000 2.360 168 L HA 0.455 4.794 4.340 -0.001 0.000 0.276 168 L C -0.915 175.961 176.870 0.010 0.000 1.121 168 L CA 0.141 54.980 54.840 -0.000 0.000 0.845 168 L CB 0.422 42.479 42.059 -0.003 0.000 1.143 168 L HN 0.653 nan 8.230 nan 0.000 0.452 169 I N 6.903 127.473 120.570 -0.001 0.000 2.331 169 I HA 0.407 4.576 4.170 -0.001 0.000 0.292 169 I C -0.160 175.946 176.117 -0.019 0.000 0.998 169 I CA -0.044 61.252 61.300 -0.007 0.000 1.267 169 I CB 1.143 39.137 38.000 -0.010 0.000 1.386 169 I HN 0.601 nan 8.210 nan 0.000 0.476 170 I N 5.086 125.638 120.570 -0.030 0.000 2.752 170 I HA 0.860 5.029 4.170 -0.001 0.000 0.295 170 I C -0.512 175.483 176.117 -0.204 0.000 1.219 170 I CA -0.019 61.258 61.300 -0.037 0.000 1.030 170 I CB 2.142 40.188 38.000 0.077 0.000 1.259 170 I HN 0.704 nan 8.210 nan 0.000 0.423 171 G N 4.631 113.305 108.800 -0.211 0.000 2.336 171 G HA2 0.134 4.093 3.960 -0.001 0.000 0.300 171 G HA3 0.134 4.093 3.960 -0.001 0.000 0.300 171 G C -1.903 172.881 174.900 -0.193 0.000 1.375 171 G CA -0.873 43.985 45.100 -0.402 0.000 0.885 171 G HN 0.553 nan 8.290 nan 0.000 0.599 172 D N 0.273 120.565 120.400 -0.181 0.000 2.346 172 D HA 0.375 5.014 4.640 -0.001 0.000 0.236 172 D C 1.395 177.629 176.300 -0.109 0.000 1.259 172 D CA 0.175 54.119 54.000 -0.093 0.000 0.898 172 D CB 0.385 41.142 40.800 -0.071 0.000 1.178 172 D HN 0.708 nan 8.370 nan 0.000 0.457 173 R N 0.557 121.013 120.500 -0.074 0.000 2.734 173 R HA 0.093 4.432 4.340 -0.001 0.000 0.266 173 R C -0.054 176.162 176.300 -0.140 0.000 1.044 173 R CA -0.331 55.722 56.100 -0.079 0.000 1.128 173 R CB 0.098 30.372 30.300 -0.043 0.000 1.010 173 R HN 0.149 nan 8.270 nan 0.000 0.461 174 Q N -0.102 119.606 119.800 -0.153 0.000 2.452 174 Q HA -0.160 4.179 4.340 -0.001 0.000 0.318 174 Q C -0.105 175.598 176.000 -0.495 0.000 1.386 174 Q CA 1.673 57.322 55.803 -0.256 0.000 0.872 174 Q CB -1.733 26.870 28.738 -0.224 0.000 1.151 174 Q HN 1.047 nan 8.270 nan 0.000 0.417 175 T N -5.728 108.622 114.554 -0.341 0.000 3.058 175 T HA 0.473 4.822 4.350 -0.001 0.000 0.278 175 T C 1.061 175.821 174.700 0.100 0.000 0.974 175 T CA 0.892 62.813 62.100 -0.298 0.000 0.893 175 T CB 1.165 69.909 68.868 -0.206 0.000 1.138 175 T HN 0.888 nan 8.240 nan 0.000 0.529 176 G N 1.866 110.707 108.800 0.070 0.000 2.168 176 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.197 176 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.197 176 G C 0.833 175.745 174.900 0.020 0.000 0.997 176 G CA 0.237 45.406 45.100 0.116 0.000 0.658 176 G HN 0.491 nan 8.290 nan 0.000 0.513 177 K N -0.161 120.232 120.400 -0.012 0.000 2.015 177 K HA -0.146 4.173 4.320 -0.001 0.000 0.216 177 K C 2.512 179.116 176.600 0.007 0.000 1.052 177 K CA 2.145 58.421 56.287 -0.018 0.000 0.937 177 K CB -0.459 32.021 32.500 -0.033 0.000 0.719 177 K HN 0.343 nan 8.250 nan 0.000 0.446 178 T N 0.960 115.527 114.554 0.023 0.000 2.777 178 T HA -0.097 4.252 4.350 -0.001 0.000 0.266 178 T C 1.996 176.702 174.700 0.010 0.000 1.040 178 T CA 1.233 63.368 62.100 0.057 0.000 1.141 178 T CB -0.297 68.619 68.868 0.080 0.000 0.868 178 T HN 0.372 nan 8.240 nan 0.000 0.444 179 A N 0.978 123.782 122.820 -0.026 0.000 1.986 179 A HA -0.110 4.209 4.320 -0.001 0.000 0.220 179 A C 2.543 180.071 177.584 -0.093 0.000 1.171 179 A CA 1.506 53.484 52.037 -0.098 0.000 0.640 179 A CB -1.058 17.875 19.000 -0.110 0.000 0.811 179 A HN 0.378 nan 8.150 nan 0.000 0.451 180 V N -0.588 119.299 119.914 -0.045 0.000 2.358 180 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 180 V C 3.031 179.116 176.094 -0.015 0.000 1.047 180 V CA 1.838 64.118 62.300 -0.034 0.000 1.035 180 V CB -1.076 30.735 31.823 -0.019 0.000 0.658 180 V HN 0.631 nan 8.190 nan 0.000 0.452 181 A N -0.217 122.609 122.820 0.011 0.000 1.898 181 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 181 A C 2.142 179.742 177.584 0.026 0.000 1.181 181 A CA 1.995 54.058 52.037 0.043 0.000 0.620 181 A CB -0.572 18.494 19.000 0.110 0.000 0.819 181 A HN 0.430 nan 8.150 nan 0.000 0.442 182 L N 0.374 121.588 121.223 -0.016 0.000 1.994 182 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 182 L C 1.648 178.490 176.870 -0.046 0.000 1.071 182 L CA 2.701 57.503 54.840 -0.064 0.000 0.745 182 L CB -0.941 41.057 42.059 -0.102 0.000 0.892 182 L HN 0.363 nan 8.230 nan 0.000 0.431 183 D N -1.099 119.256 120.400 -0.074 0.000 2.149 183 D HA -0.174 4.465 4.640 -0.001 0.000 0.198 183 D C 2.063 178.366 176.300 0.005 0.000 0.990 183 D CA 1.726 55.693 54.000 -0.056 0.000 0.839 183 D CB -0.223 40.517 40.800 -0.100 0.000 0.948 183 D HN 0.397 nan 8.370 nan 0.000 0.460 184 T N 0.393 114.955 114.554 0.013 0.000 2.674 184 T HA -0.092 4.257 4.350 -0.001 0.000 0.265 184 T C 2.133 176.881 174.700 0.080 0.000 1.039 184 T CA 0.662 62.788 62.100 0.043 0.000 1.150 184 T CB -0.333 68.553 68.868 0.030 0.000 0.864 184 T HN 0.159 nan 8.240 nan 0.000 0.427 185 I N 0.953 121.572 120.570 0.082 0.000 2.194 185 I HA -0.208 3.961 4.170 -0.001 0.000 0.246 185 I C 2.288 178.540 176.117 0.226 0.000 1.093 185 I CA 1.294 62.683 61.300 0.149 0.000 1.355 185 I CB -0.508 37.544 38.000 0.086 0.000 1.046 185 I HN 0.217 nan 8.210 nan 0.000 0.413 186 L N 0.189 121.491 121.223 0.133 0.000 2.017 186 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 186 L C 2.259 179.219 176.870 0.149 0.000 1.073 186 L CA 1.724 56.654 54.840 0.151 0.000 0.745 186 L CB -0.804 41.303 42.059 0.079 0.000 0.894 186 L HN 0.313 nan 8.230 nan 0.000 0.432 187 N N -0.377 118.383 118.700 0.099 0.000 2.430 187 N HA -0.205 4.535 4.740 -0.001 0.000 0.186 187 N C 1.734 177.270 175.510 0.044 0.000 1.032 187 N CA 0.772 53.856 53.050 0.057 0.000 0.893 187 N CB 0.143 38.683 38.487 0.088 0.000 0.957 187 N HN 0.253 nan 8.380 nan 0.000 0.442 188 Q N -0.006 119.852 119.800 0.098 0.000 2.451 188 Q HA 0.027 4.366 4.340 -0.001 0.000 0.206 188 Q C 1.372 177.236 176.000 -0.227 0.000 0.947 188 Q CA 0.423 56.261 55.803 0.058 0.000 0.937 188 Q CB 0.103 28.791 28.738 -0.083 0.000 1.025 188 Q HN 0.485 nan 8.270 nan 0.000 0.511 189 K N 0.761 121.052 120.400 -0.182 0.000 2.103 189 K HA -0.121 4.199 4.320 -0.001 0.000 0.207 189 K C 2.016 178.451 176.600 -0.275 0.000 1.048 189 K CA 0.880 57.066 56.287 -0.168 0.000 0.930 189 K CB -0.047 32.468 32.500 0.025 0.000 0.716 189 K HN 0.124 nan 8.250 nan 0.000 0.444 190 R N -0.308 119.915 120.500 -0.462 0.000 2.165 190 R HA -0.204 4.136 4.340 -0.001 0.000 0.254 190 R C 2.000 177.821 176.300 -0.798 0.000 1.153 190 R CA 2.115 57.728 56.100 -0.812 0.000 0.971 190 R CB -0.165 29.237 30.300 -1.497 0.000 0.878 190 R HN 0.448 nan 8.270 nan 0.000 0.449 191 W N -1.134 120.070 121.300 -0.160 0.000 2.735 191 W HA 0.161 4.821 4.660 -0.002 0.000 0.264 191 W C 1.452 177.850 176.519 -0.201 0.000 1.233 191 W CA -0.454 56.795 57.345 -0.159 0.000 1.408 191 W CB -0.519 28.846 29.460 -0.158 0.000 1.038 191 W HN 0.086 nan 8.180 nan 0.000 0.603 192 N N 1.216 119.850 118.700 -0.111 0.000 2.289 192 N HA -0.130 4.609 4.740 -0.001 0.000 0.184 192 N C 1.017 176.468 175.510 -0.099 0.000 1.016 192 N CA 0.983 53.891 53.050 -0.237 0.000 0.872 192 N CB -0.669 37.438 38.487 -0.633 0.000 0.973 192 N HN 0.074 nan 8.380 nan 0.000 0.433 193 N N 0.219 118.870 118.700 -0.082 0.000 2.515 193 N HA 0.036 4.776 4.740 -0.001 0.000 0.191 193 N C 0.745 176.241 175.510 -0.024 0.000 1.182 193 N CA 0.173 53.203 53.050 -0.033 0.000 0.879 193 N CB 0.158 38.619 38.487 -0.043 0.000 0.984 193 N HN 0.166 nan 8.380 nan 0.000 0.453 194 G N -1.008 107.783 108.800 -0.015 0.000 2.552 194 G HA2 0.330 4.290 3.960 -0.001 0.000 0.318 194 G HA3 0.330 4.290 3.960 -0.001 0.000 0.318 194 G C 0.556 175.475 174.900 0.032 0.000 1.240 194 G CA -0.352 44.755 45.100 0.010 0.000 1.002 194 G HN 0.058 nan 8.290 nan 0.000 0.493 195 S N -0.851 114.871 115.700 0.037 0.000 2.439 195 S HA 0.016 4.485 4.470 -0.001 0.000 0.224 195 S C 0.792 175.424 174.600 0.054 0.000 1.029 195 S CA 0.222 58.449 58.200 0.045 0.000 0.946 195 S CB 0.030 63.251 63.200 0.035 0.000 0.797 195 S HN 0.632 nan 8.310 nan 0.000 0.504 196 D N 2.305 122.738 120.400 0.056 0.000 2.342 196 D HA 0.056 4.695 4.640 -0.001 0.000 0.260 196 D C 0.950 177.286 176.300 0.059 0.000 1.278 196 D CA 0.097 54.131 54.000 0.057 0.000 0.910 196 D CB 0.472 41.308 40.800 0.059 0.000 1.079 196 D HN 0.023 nan 8.370 nan 0.000 0.496 197 E N 1.739 121.979 120.200 0.065 0.000 2.051 197 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 197 E C 1.873 178.508 176.600 0.059 0.000 0.991 197 E CA 1.134 57.585 56.400 0.085 0.000 0.799 197 E CB -0.406 29.350 29.700 0.094 0.000 0.748 197 E HN 0.631 nan 8.360 nan 0.000 0.449 198 S N 0.515 116.241 115.700 0.043 0.000 2.465 198 S HA -0.129 4.340 4.470 -0.001 0.000 0.241 198 S C 1.688 176.348 174.600 0.100 0.000 1.000 198 S CA 1.115 59.347 58.200 0.054 0.000 0.964 198 S CB -0.082 63.150 63.200 0.054 0.000 0.763 198 S HN 0.143 nan 8.310 nan 0.000 0.512 199 K N 0.522 120.941 120.400 0.032 0.000 2.334 199 K HA 0.207 4.526 4.320 -0.001 0.000 0.195 199 K C 0.449 176.978 176.600 -0.119 0.000 1.045 199 K CA 0.117 56.361 56.287 -0.072 0.000 1.004 199 K CB 0.167 32.639 32.500 -0.048 0.000 0.837 199 K HN 0.352 nan 8.250 nan 0.000 0.510 200 K N 1.262 121.623 120.400 -0.065 0.000 2.380 200 K HA 0.085 4.405 4.320 -0.001 0.000 0.267 200 K C -0.604 175.832 176.600 -0.274 0.000 0.990 200 K CA -0.052 56.101 56.287 -0.224 0.000 0.946 200 K CB 0.514 32.777 32.500 -0.396 0.000 0.937 200 K HN -0.130 nan 8.250 nan 0.000 0.491 201 L N 3.579 124.559 121.223 -0.405 0.000 2.471 201 L HA 0.275 4.615 4.340 -0.001 0.000 0.263 201 L C -1.640 175.015 176.870 -0.357 0.000 0.985 201 L CA -0.350 54.323 54.840 -0.278 0.000 0.868 201 L CB 0.589 42.537 42.059 -0.186 0.000 1.203 201 L HN 0.423 nan 8.230 nan 0.000 0.429 202 Y N 2.963 123.158 120.300 -0.174 0.000 2.319 202 Y HA 0.426 4.975 4.550 -0.001 0.000 0.328 202 Y C 0.516 176.314 175.900 -0.170 0.000 1.133 202 Y CA -0.168 57.806 58.100 -0.212 0.000 1.265 202 Y CB 0.822 38.919 38.460 -0.605 0.000 1.218 202 Y HN 0.464 nan 8.280 nan 0.000 0.508 203 C N 3.330 122.717 119.300 0.145 0.000 2.351 203 C HA 0.663 5.122 4.460 -0.001 0.000 0.326 203 C C -0.250 174.776 174.990 0.060 0.000 1.272 203 C CA -1.136 57.940 59.018 0.097 0.000 1.650 203 C CB 0.340 28.185 27.740 0.175 0.000 2.257 203 C HN 0.566 nan 8.230 nan 0.000 0.505 204 V N 3.699 123.627 119.914 0.023 0.000 2.378 204 V HA 0.293 4.412 4.120 -0.001 0.000 0.288 204 V C -0.870 175.236 176.094 0.020 0.000 1.016 204 V CA -0.533 61.781 62.300 0.024 0.000 0.840 204 V CB 0.956 32.774 31.823 -0.008 0.000 0.994 204 V HN 0.798 nan 8.190 nan 0.000 0.431 205 Y N 4.926 125.186 120.300 -0.067 0.000 2.331 205 Y HA 0.631 5.180 4.550 -0.002 0.000 0.338 205 Y C -0.229 175.634 175.900 -0.062 0.000 0.976 205 Y CA -0.661 57.394 58.100 -0.075 0.000 1.137 205 Y CB 1.719 40.148 38.460 -0.052 0.000 1.172 205 Y HN 0.423 nan 8.280 nan 0.000 0.478 206 V N 6.299 125.894 119.914 -0.532 0.000 2.294 206 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 206 V C 0.012 175.859 176.094 -0.412 0.000 1.027 206 V CA -0.828 61.274 62.300 -0.329 0.000 0.823 206 V CB 0.591 32.299 31.823 -0.192 0.000 1.030 206 V HN 0.929 nan 8.190 nan 0.000 0.457 207 A N 5.240 127.936 122.820 -0.206 0.000 2.279 207 A HA 0.710 5.029 4.320 -0.001 0.000 0.306 207 A C -0.329 177.229 177.584 -0.043 0.000 1.300 207 A CA -0.323 51.658 52.037 -0.093 0.000 0.925 207 A CB 0.515 19.570 19.000 0.092 0.000 1.152 207 A HN 0.675 nan 8.150 nan 0.000 0.544 208 V N 2.619 122.507 119.914 -0.044 0.000 2.378 208 V HA 0.608 4.727 4.120 -0.001 0.000 0.288 208 V C 1.188 177.291 176.094 0.015 0.000 1.016 208 V CA 0.514 62.807 62.300 -0.011 0.000 0.840 208 V CB 0.758 32.571 31.823 -0.016 0.000 0.994 208 V HN 1.753 nan 8.190 nan 0.000 0.431 209 G N 3.817 112.634 108.800 0.028 0.000 2.155 209 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.257 209 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.257 209 G C 0.194 175.116 174.900 0.037 0.000 0.983 209 G CA 0.419 45.541 45.100 0.038 0.000 0.676 209 G HN 0.675 nan 8.290 nan 0.000 0.528 210 Q N 0.269 120.092 119.800 0.038 0.000 2.382 210 Q HA 0.440 4.779 4.340 -0.001 0.000 0.229 210 Q C 0.797 176.820 176.000 0.040 0.000 1.006 210 Q CA -0.241 55.588 55.803 0.044 0.000 0.916 210 Q CB 0.757 29.532 28.738 0.062 0.000 1.235 210 Q HN 0.619 nan 8.270 nan 0.000 0.512 211 K N 0.671 121.094 120.400 0.037 0.000 2.230 211 K HA 0.084 4.404 4.320 -0.001 0.000 0.253 211 K C 0.710 177.330 176.600 0.034 0.000 1.008 211 K CA -0.267 56.039 56.287 0.032 0.000 0.910 211 K CB 0.766 33.282 32.500 0.028 0.000 0.994 211 K HN 0.458 nan 8.250 nan 0.000 0.495 212 R N 0.452 120.969 120.500 0.029 0.000 2.075 212 R HA -0.101 4.238 4.340 -0.001 0.000 0.226 212 R C 2.578 178.892 176.300 0.024 0.000 1.114 212 R CA 1.554 57.671 56.100 0.027 0.000 0.972 212 R CB -0.181 30.133 30.300 0.023 0.000 0.869 212 R HN 0.889 nan 8.270 nan 0.000 0.437 213 S N -0.142 115.570 115.700 0.021 0.000 2.400 213 S HA -0.160 4.309 4.470 -0.001 0.000 0.232 213 S C 1.847 176.458 174.600 0.018 0.000 1.025 213 S CA 1.807 60.017 58.200 0.016 0.000 0.993 213 S CB -0.520 62.689 63.200 0.015 0.000 0.808 213 S HN 0.189 nan 8.310 nan 0.000 0.478 214 T N 2.183 116.752 114.554 0.025 0.000 2.708 214 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 214 T C 1.907 176.623 174.700 0.027 0.000 1.037 214 T CA 1.503 63.620 62.100 0.029 0.000 1.146 214 T CB -0.575 68.317 68.868 0.042 0.000 0.865 214 T HN 0.317 nan 8.240 nan 0.000 0.435 215 V N 1.666 121.604 119.914 0.040 0.000 2.358 215 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 215 V C 2.872 178.973 176.094 0.011 0.000 1.047 215 V CA 1.497 63.824 62.300 0.044 0.000 1.035 215 V CB -1.260 30.603 31.823 0.067 0.000 0.658 215 V HN 0.515 nan 8.190 nan 0.000 0.452 216 A N -0.107 122.719 122.820 0.010 0.000 1.873 216 A HA -0.358 3.961 4.320 -0.001 0.000 0.218 216 A C 2.205 179.781 177.584 -0.013 0.000 1.193 216 A CA 2.531 54.568 52.037 -0.001 0.000 0.629 216 A CB -0.684 18.318 19.000 0.003 0.000 0.826 216 A HN 0.530 nan 8.150 nan 0.000 0.447 217 Q N -0.510 119.284 119.800 -0.010 0.000 2.084 217 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 217 Q C 1.882 177.859 176.000 -0.039 0.000 0.978 217 Q CA 1.905 57.697 55.803 -0.019 0.000 0.844 217 Q CB -0.600 28.135 28.738 -0.006 0.000 0.898 217 Q HN 0.583 nan 8.270 nan 0.000 0.426 218 L N -0.767 120.425 121.223 -0.052 0.000 1.989 218 L HA -0.171 4.168 4.340 -0.001 0.000 0.211 218 L C 2.151 178.948 176.870 -0.122 0.000 1.071 218 L CA 1.565 56.339 54.840 -0.111 0.000 0.749 218 L CB -0.595 41.359 42.059 -0.175 0.000 0.890 218 L HN 0.152 nan 8.230 nan 0.000 0.431 219 V N -0.467 119.393 119.914 -0.089 0.000 2.287 219 V HA -0.396 3.723 4.120 -0.001 0.000 0.248 219 V C 2.560 178.614 176.094 -0.066 0.000 1.053 219 V CA 2.240 64.494 62.300 -0.076 0.000 1.027 219 V CB -0.664 31.133 31.823 -0.043 0.000 0.646 219 V HN 0.613 nan 8.190 nan 0.000 0.447 220 Q N -0.541 119.228 119.800 -0.051 0.000 2.112 220 Q HA -0.238 4.101 4.340 -0.001 0.000 0.206 220 Q C 2.279 178.253 176.000 -0.043 0.000 0.987 220 Q CA 2.486 58.264 55.803 -0.042 0.000 0.858 220 Q CB -0.201 28.516 28.738 -0.035 0.000 0.905 220 Q HN 0.738 nan 8.270 nan 0.000 0.420 221 T N 0.985 115.502 114.554 -0.062 0.000 2.737 221 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 221 T C 1.811 176.485 174.700 -0.042 0.000 1.038 221 T CA 1.054 63.111 62.100 -0.071 0.000 1.144 221 T CB -0.227 68.559 68.868 -0.136 0.000 0.866 221 T HN 0.225 nan 8.240 nan 0.000 0.434 222 L N 0.689 121.855 121.223 -0.095 0.000 2.012 222 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 222 L C 2.800 179.637 176.870 -0.056 0.000 1.073 222 L CA 1.592 56.369 54.840 -0.106 0.000 0.748 222 L CB -0.596 41.363 42.059 -0.167 0.000 0.891 222 L HN 0.326 nan 8.230 nan 0.000 0.431 223 E N -0.325 119.844 120.200 -0.051 0.000 2.051 223 E HA -0.269 4.080 4.350 -0.001 0.000 0.192 223 E C 2.293 178.883 176.600 -0.016 0.000 0.991 223 E CA 1.256 57.633 56.400 -0.039 0.000 0.799 223 E CB -0.037 29.640 29.700 -0.039 0.000 0.748 223 E HN 0.504 nan 8.360 nan 0.000 0.449 224 Q N -0.379 119.426 119.800 0.008 0.000 2.096 224 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 224 Q C 1.027 176.982 176.000 -0.075 0.000 0.982 224 Q CA 1.305 57.094 55.803 -0.023 0.000 0.850 224 Q CB -0.086 28.648 28.738 -0.006 0.000 0.901 224 Q HN 0.409 nan 8.270 nan 0.000 0.422 225 H N -0.141 118.879 119.070 -0.083 0.000 2.568 225 H HA 0.076 4.631 4.556 -0.001 0.000 0.302 225 H C -0.558 174.747 175.328 -0.037 0.000 1.065 225 H CA 0.085 56.101 56.048 -0.053 0.000 1.140 225 H CB -0.065 29.676 29.762 -0.036 0.000 1.474 225 H HN 0.168 nan 8.280 nan 0.000 0.545 226 D N -0.030 120.388 120.400 0.030 0.000 2.733 226 D HA -0.250 4.389 4.640 -0.001 0.000 0.232 226 D C 0.941 177.234 176.300 -0.011 0.000 1.161 226 D CA 0.835 54.840 54.000 0.008 0.000 0.653 226 D CB -0.908 39.906 40.800 0.023 0.000 1.052 226 D HN 0.550 nan 8.370 nan 0.000 0.424 227 A N -0.722 122.015 122.820 -0.139 0.000 2.229 227 A HA 0.161 4.480 4.320 -0.001 0.000 0.211 227 A C 1.854 178.945 177.584 -0.820 0.000 1.193 227 A CA 0.832 52.538 52.037 -0.552 0.000 0.879 227 A CB -0.073 18.729 19.000 -0.330 0.000 0.911 227 A HN 0.313 nan 8.150 nan 0.000 0.492 228 M N 1.639 121.019 119.600 -0.368 0.000 2.202 228 M HA -0.153 4.326 4.480 -0.001 0.000 0.262 228 M C 1.922 178.104 176.300 -0.197 0.000 1.063 228 M CA 2.200 57.350 55.300 -0.250 0.000 1.097 228 M CB -0.557 31.965 32.600 -0.130 0.000 1.382 228 M HN 0.473 nan 8.290 nan 0.000 0.413 229 K N -0.452 119.859 120.400 -0.150 0.000 2.360 229 K HA -0.178 4.142 4.320 -0.001 0.000 0.201 229 K C 0.842 177.506 176.600 0.106 0.000 1.046 229 K CA 1.671 57.958 56.287 0.000 0.000 0.945 229 K CB -0.815 31.720 32.500 0.059 0.000 0.750 229 K HN 0.647 nan 8.250 nan 0.000 0.464 230 Y N -0.455 119.893 120.300 0.080 0.000 2.584 230 Y HA 0.477 5.026 4.550 -0.001 0.000 0.254 230 Y C -0.318 175.650 175.900 0.112 0.000 1.177 230 Y CA -1.088 57.089 58.100 0.127 0.000 1.216 230 Y CB 0.293 38.788 38.460 0.059 0.000 1.172 230 Y HN -0.113 nan 8.280 nan 0.000 0.529 231 S N 0.956 116.649 115.700 -0.012 0.000 2.607 231 S HA 0.732 5.201 4.470 -0.001 0.000 0.303 231 S C -0.782 173.843 174.600 0.042 0.000 1.086 231 S CA -0.718 57.486 58.200 0.007 0.000 0.995 231 S CB 2.073 65.205 63.200 -0.114 0.000 1.084 231 S HN 0.226 nan 8.310 nan 0.000 0.507 232 I N 1.985 122.595 120.570 0.067 0.000 2.465 232 I HA 0.402 4.571 4.170 -0.001 0.000 0.291 232 I C -1.054 175.106 176.117 0.073 0.000 1.014 232 I CA -0.674 60.669 61.300 0.071 0.000 1.093 232 I CB 1.445 39.507 38.000 0.104 0.000 1.267 232 I HN 0.363 nan 8.210 nan 0.000 0.431 233 I N 6.776 127.384 120.570 0.064 0.000 2.339 233 I HA 0.346 4.515 4.170 -0.001 0.000 0.290 233 I C -0.169 175.987 176.117 0.065 0.000 0.994 233 I CA -0.699 60.657 61.300 0.095 0.000 1.191 233 I CB 1.540 39.591 38.000 0.085 0.000 1.343 233 I HN 0.155 nan 8.210 nan 0.000 0.458 234 V N 6.031 125.977 119.914 0.053 0.000 2.357 234 V HA 0.646 4.765 4.120 -0.001 0.000 0.284 234 V C 0.330 176.432 176.094 0.014 0.000 1.018 234 V CA -0.537 61.774 62.300 0.019 0.000 0.841 234 V CB 1.524 33.345 31.823 -0.002 0.000 0.991 234 V HN 0.868 nan 8.190 nan 0.000 0.437 235 A N 4.460 127.290 122.820 0.018 0.000 2.318 235 A HA 0.896 5.215 4.320 -0.001 0.000 0.317 235 A C -0.017 177.569 177.584 0.003 0.000 1.159 235 A CA -0.344 51.706 52.037 0.021 0.000 0.799 235 A CB 1.392 20.416 19.000 0.039 0.000 1.194 235 A HN 1.259 nan 8.150 nan 0.000 0.479 236 A N 3.060 125.880 122.820 -0.000 0.000 2.586 236 A HA 0.621 4.940 4.320 -0.001 0.000 0.320 236 A C 0.503 178.095 177.584 0.015 0.000 1.281 236 A CA 0.099 52.136 52.037 -0.001 0.000 0.775 236 A CB -0.317 18.676 19.000 -0.012 0.000 1.122 236 A HN 1.263 nan 8.150 nan 0.000 0.470 237 T N -1.038 113.528 114.554 0.020 0.000 2.793 237 T HA 0.536 4.885 4.350 -0.001 0.000 0.299 237 T C 1.645 176.364 174.700 0.032 0.000 1.038 237 T CA 0.168 62.285 62.100 0.028 0.000 0.948 237 T CB 0.587 69.473 68.868 0.029 0.000 1.231 237 T HN 1.046 nan 8.240 nan 0.000 0.538 238 A N 0.688 123.528 122.820 0.033 0.000 1.940 238 A HA -0.045 4.274 4.320 -0.001 0.000 0.219 238 A C 2.521 180.126 177.584 0.034 0.000 1.176 238 A CA 2.136 54.194 52.037 0.035 0.000 0.631 238 A CB -1.372 17.647 19.000 0.032 0.000 0.814 238 A HN 1.093 nan 8.150 nan 0.000 0.446 239 S N -0.272 115.447 115.700 0.031 0.000 2.548 239 S HA 0.096 4.565 4.470 -0.001 0.000 0.215 239 S C 0.338 174.959 174.600 0.035 0.000 0.976 239 S CA -0.305 57.913 58.200 0.031 0.000 0.908 239 S CB -0.177 63.039 63.200 0.026 0.000 0.781 239 S HN 0.592 nan 8.310 nan 0.000 0.519 240 E N 1.944 122.166 120.200 0.036 0.000 2.366 240 E HA 0.483 4.832 4.350 -0.001 0.000 0.266 240 E C 0.094 176.726 176.600 0.053 0.000 1.051 240 E CA -0.220 56.203 56.400 0.038 0.000 0.884 240 E CB 0.809 30.523 29.700 0.024 0.000 1.006 240 E HN 0.416 nan 8.360 nan 0.000 0.417 241 A N 2.130 124.992 122.820 0.069 0.000 2.587 241 A HA 0.120 4.439 4.320 -0.001 0.000 0.233 241 A C 1.446 179.096 177.584 0.110 0.000 1.049 241 A CA 0.692 52.788 52.037 0.098 0.000 0.754 241 A CB 0.169 19.258 19.000 0.148 0.000 0.977 241 A HN 0.832 nan 8.150 nan 0.000 0.509 242 A N 4.125 127.014 122.820 0.114 0.000 1.896 242 A HA -0.157 4.163 4.320 -0.001 0.000 0.220 242 A C 0.013 177.715 177.584 0.196 0.000 1.206 242 A CA 2.306 54.425 52.037 0.135 0.000 0.647 242 A CB -1.918 17.148 19.000 0.110 0.000 0.828 242 A HN 0.670 nan 8.150 nan 0.000 0.455 243 P HA -0.142 nan 4.420 nan 0.000 0.217 243 P C 1.358 178.801 177.300 0.238 0.000 1.148 243 P CA 0.976 64.279 63.100 0.338 0.000 0.828 243 P CB -0.153 31.837 31.700 0.483 0.000 0.783 244 L N -0.985 120.268 121.223 0.050 0.000 2.109 244 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 244 L C 2.641 179.511 176.870 -0.001 0.000 1.086 244 L CA 1.353 56.134 54.840 -0.098 0.000 0.760 244 L CB -0.914 41.050 42.059 -0.158 0.000 0.910 244 L HN 0.010 nan 8.230 nan 0.000 0.437 245 Q N -0.923 118.918 119.800 0.068 0.000 2.119 245 Q HA -0.243 4.096 4.340 -0.001 0.000 0.201 245 Q C 2.115 178.184 176.000 0.113 0.000 0.972 245 Q CA 1.631 57.478 55.803 0.074 0.000 0.847 245 Q CB -0.444 28.350 28.738 0.094 0.000 0.903 245 Q HN 0.491 nan 8.270 nan 0.000 0.433 246 Y N 1.626 121.977 120.300 0.084 0.000 2.165 246 Y HA -0.185 4.364 4.550 -0.001 0.000 0.286 246 Y C 1.782 177.779 175.900 0.162 0.000 1.155 246 Y CA 1.280 59.460 58.100 0.134 0.000 1.164 246 Y CB -0.238 38.344 38.460 0.203 0.000 0.978 246 Y HN -0.017 nan 8.280 nan 0.000 0.513 247 L N -0.371 120.805 121.223 -0.078 0.000 2.240 247 L HA -0.056 4.283 4.340 -0.001 0.000 0.211 247 L C 2.749 179.580 176.870 -0.065 0.000 1.106 247 L CA 0.674 55.438 54.840 -0.126 0.000 0.793 247 L CB -0.843 41.181 42.059 -0.059 0.000 0.927 247 L HN 0.369 nan 8.230 nan 0.000 0.446 248 A N 1.330 124.107 122.820 -0.072 0.000 1.859 248 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 248 A C -0.095 177.441 177.584 -0.080 0.000 1.209 248 A CA 2.157 54.157 52.037 -0.062 0.000 0.639 248 A CB -1.997 16.974 19.000 -0.049 0.000 0.835 248 A HN 0.255 nan 8.150 nan 0.000 0.450 249 P HA -0.132 nan 4.420 nan 0.000 0.216 249 P C 0.964 178.135 177.300 -0.214 0.000 1.150 249 P CA 1.207 64.182 63.100 -0.208 0.000 0.843 249 P CB -0.168 31.138 31.700 -0.657 0.000 0.787 250 F N -1.437 118.441 119.950 -0.121 0.000 2.234 250 F HA -0.066 4.460 4.527 -0.001 0.000 0.296 250 F C 2.410 178.182 175.800 -0.047 0.000 1.089 250 F CA 1.256 59.186 58.000 -0.118 0.000 1.343 250 F CB -1.709 37.156 39.000 -0.227 0.000 1.040 250 F HN -0.138 nan 8.300 nan 0.000 0.498 251 T N -0.208 114.415 114.554 0.115 0.000 2.737 251 T HA -0.131 4.219 4.350 -0.001 0.000 0.265 251 T C 2.277 177.017 174.700 0.066 0.000 1.038 251 T CA 1.390 63.531 62.100 0.069 0.000 1.144 251 T CB -0.490 68.393 68.868 0.024 0.000 0.866 251 T HN 0.266 nan 8.240 nan 0.000 0.434 252 A N 1.057 123.911 122.820 0.057 0.000 1.968 252 A HA 0.294 4.613 4.320 -0.001 0.000 0.217 252 A C 2.565 180.195 177.584 0.077 0.000 1.169 252 A CA 1.565 53.632 52.037 0.050 0.000 0.638 252 A CB -0.865 18.137 19.000 0.004 0.000 0.812 252 A HN 0.487 nan 8.150 nan 0.000 0.446 253 A N -0.410 122.481 122.820 0.119 0.000 1.972 253 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 253 A C 2.390 180.052 177.584 0.130 0.000 1.169 253 A CA 2.048 54.171 52.037 0.143 0.000 0.635 253 A CB -0.669 18.442 19.000 0.185 0.000 0.810 253 A HN 0.438 nan 8.150 nan 0.000 0.446 254 S N -0.408 115.363 115.700 0.119 0.000 2.387 254 S HA -0.008 4.461 4.470 -0.001 0.000 0.226 254 S C 1.767 176.443 174.600 0.126 0.000 1.026 254 S CA 1.095 59.360 58.200 0.108 0.000 0.972 254 S CB -0.391 62.859 63.200 0.083 0.000 0.814 254 S HN 0.556 nan 8.310 nan 0.000 0.477 255 I N 1.474 122.119 120.570 0.124 0.000 2.226 255 I HA -0.150 4.019 4.170 -0.001 0.000 0.245 255 I C 2.590 178.887 176.117 0.300 0.000 1.100 255 I CA 1.257 62.647 61.300 0.149 0.000 1.374 255 I CB -0.624 37.449 38.000 0.123 0.000 1.057 255 I HN 0.375 nan 8.210 nan 0.000 0.413 256 G N -0.212 108.765 108.800 0.296 0.000 2.448 256 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.218 256 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.218 256 G C 1.509 176.648 174.900 0.398 0.000 1.135 256 G CA 0.229 45.575 45.100 0.410 0.000 0.784 256 G HN 0.373 nan 8.290 nan 0.000 0.543 257 E N -0.705 119.636 120.200 0.234 0.000 2.152 257 E HA -0.101 4.248 4.350 -0.001 0.000 0.192 257 E C 1.867 178.521 176.600 0.091 0.000 0.983 257 E CA 0.311 56.798 56.400 0.145 0.000 0.818 257 E CB -0.176 29.583 29.700 0.098 0.000 0.758 257 E HN 0.618 nan 8.360 nan 0.000 0.467 258 W N 0.717 121.967 121.300 -0.084 0.000 2.305 258 W HA -0.287 4.372 4.660 -0.001 0.000 0.308 258 W C 1.372 177.712 176.519 -0.298 0.000 1.226 258 W CA 1.811 59.000 57.345 -0.260 0.000 1.253 258 W CB -0.384 28.802 29.460 -0.458 0.000 1.146 258 W HN 0.018 nan 8.180 nan 0.000 0.507 259 F N 0.149 120.104 119.950 0.008 0.000 2.075 259 F HA -0.138 4.388 4.527 -0.001 0.000 0.297 259 F C 2.769 178.418 175.800 -0.252 0.000 1.113 259 F CA 2.198 60.088 58.000 -0.184 0.000 1.218 259 F CB -1.498 37.536 39.000 0.058 0.000 0.984 259 F HN -0.210 nan 8.300 nan 0.000 0.472 260 R N 0.626 121.178 120.500 0.087 0.000 2.127 260 R HA -0.180 4.159 4.340 -0.001 0.000 0.238 260 R C 1.267 177.512 176.300 -0.091 0.000 1.134 260 R CA 1.956 58.068 56.100 0.021 0.000 0.975 260 R CB -0.480 29.857 30.300 0.061 0.000 0.865 260 R HN 0.224 nan 8.270 nan 0.000 0.447 261 D N -0.082 120.210 120.400 -0.179 0.000 2.317 261 D HA -0.035 4.605 4.640 -0.001 0.000 0.211 261 D C 0.224 176.348 176.300 -0.292 0.000 0.966 261 D CA 0.716 54.590 54.000 -0.210 0.000 0.876 261 D CB 0.021 40.700 40.800 -0.201 0.000 0.927 261 D HN 0.213 nan 8.370 nan 0.000 0.519 262 N N 0.095 118.540 118.700 -0.426 0.000 2.535 262 N HA 0.179 4.918 4.740 -0.001 0.000 0.294 262 N C 0.532 175.860 175.510 -0.304 0.000 1.408 262 N CA -0.016 52.770 53.050 -0.439 0.000 0.927 262 N CB 1.265 39.282 38.487 -0.784 0.000 1.276 262 N HN 0.006 nan 8.380 nan 0.000 0.505 263 G N 1.412 110.081 108.800 -0.219 0.000 2.341 263 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.292 263 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.292 263 G C -0.013 174.712 174.900 -0.292 0.000 1.021 263 G CA 0.796 45.782 45.100 -0.191 0.000 0.905 263 G HN 0.359 nan 8.290 nan 0.000 0.508 264 K N -0.803 119.408 120.400 -0.315 0.000 2.395 264 K HA 0.642 4.961 4.320 -0.001 0.000 0.245 264 K C -0.707 175.700 176.600 -0.321 0.000 1.017 264 K CA -1.102 54.993 56.287 -0.319 0.000 0.852 264 K CB 1.456 33.971 32.500 0.025 0.000 1.311 264 K HN 0.263 nan 8.250 nan 0.000 0.452 265 H N 0.057 119.226 119.070 0.164 0.000 2.539 265 H HA 0.479 5.035 4.556 -0.001 0.000 0.332 265 H C -0.987 174.377 175.328 0.061 0.000 1.031 265 H CA -0.799 55.287 56.048 0.063 0.000 1.206 265 H CB 1.713 31.448 29.762 -0.044 0.000 1.446 265 H HN 0.686 nan 8.280 nan 0.000 0.496 266 A N 3.381 126.277 122.820 0.127 0.000 2.337 266 A HA 0.515 4.834 4.320 -0.001 0.000 0.329 266 A C -0.779 176.801 177.584 -0.007 0.000 1.146 266 A CA -0.708 51.316 52.037 -0.022 0.000 0.800 266 A CB 1.221 20.199 19.000 -0.037 0.000 1.220 266 A HN 0.517 nan 8.150 nan 0.000 0.472 267 L N 2.845 124.044 121.223 -0.039 0.000 2.296 267 L HA 0.708 5.047 4.340 -0.001 0.000 0.286 267 L C -0.783 176.042 176.870 -0.074 0.000 1.023 267 L CA -0.328 54.485 54.840 -0.046 0.000 0.812 267 L CB 0.991 43.031 42.059 -0.032 0.000 1.223 267 L HN 0.667 nan 8.230 nan 0.000 0.421 268 I N 5.457 125.943 120.570 -0.140 0.000 2.404 268 I HA 0.522 4.691 4.170 -0.001 0.000 0.293 268 I C -1.182 174.701 176.117 -0.390 0.000 0.992 268 I CA -0.745 60.382 61.300 -0.288 0.000 1.149 268 I CB 1.716 39.466 38.000 -0.417 0.000 1.315 268 I HN 0.383 nan 8.210 nan 0.000 0.446 269 V N 7.975 127.667 119.914 -0.369 0.000 2.357 269 V HA 0.293 4.412 4.120 -0.001 0.000 0.284 269 V C -1.092 174.715 176.094 -0.479 0.000 1.018 269 V CA -0.494 61.618 62.300 -0.313 0.000 0.841 269 V CB 1.093 32.877 31.823 -0.065 0.000 0.991 269 V HN 0.469 nan 8.190 nan 0.000 0.437 270 Y N 2.417 122.580 120.300 -0.228 0.000 2.518 270 Y HA 0.482 5.031 4.550 -0.001 0.000 0.344 270 Y C 0.232 175.971 175.900 -0.268 0.000 0.982 270 Y CA -0.864 57.074 58.100 -0.270 0.000 1.234 270 Y CB 0.783 39.098 38.460 -0.241 0.000 1.114 270 Y HN 0.535 nan 8.280 nan 0.000 0.515 271 D N 3.426 123.688 120.400 -0.230 0.000 2.461 271 D HA 0.220 4.859 4.640 -0.001 0.000 0.240 271 D C -1.190 175.044 176.300 -0.111 0.000 1.094 271 D CA -0.469 53.422 54.000 -0.181 0.000 0.868 271 D CB 0.517 41.158 40.800 -0.266 0.000 1.062 271 D HN 0.624 nan 8.370 nan 0.000 0.530 272 D N 0.767 121.135 120.400 -0.053 0.000 2.493 272 D HA 0.258 4.898 4.640 -0.001 0.000 0.239 272 D C 0.880 177.148 176.300 -0.054 0.000 1.049 272 D CA -0.736 53.234 54.000 -0.050 0.000 1.008 272 D CB 1.113 41.894 40.800 -0.031 0.000 1.398 272 D HN 0.130 nan 8.370 nan 0.000 0.513 273 L N 0.169 121.329 121.223 -0.105 0.000 2.554 273 L HA 0.023 4.363 4.340 -0.001 0.000 0.226 273 L C 1.804 178.664 176.870 -0.017 0.000 1.137 273 L CA 0.261 55.015 54.840 -0.144 0.000 0.863 273 L CB -0.245 41.523 42.059 -0.484 0.000 0.985 273 L HN 0.407 nan 8.230 nan 0.000 0.451 274 S N 0.282 115.976 115.700 -0.010 0.000 2.355 274 S HA -0.143 4.327 4.470 -0.001 0.000 0.222 274 S C 1.952 176.611 174.600 0.097 0.000 1.031 274 S CA 1.319 59.548 58.200 0.048 0.000 0.993 274 S CB 0.060 63.282 63.200 0.036 0.000 0.859 274 S HN 0.380 nan 8.310 nan 0.000 0.453 275 K N 0.949 121.393 120.400 0.073 0.000 2.155 275 K HA -0.055 4.264 4.320 -0.001 0.000 0.203 275 K C 2.391 179.059 176.600 0.114 0.000 1.052 275 K CA 0.757 57.097 56.287 0.089 0.000 0.948 275 K CB -0.122 32.412 32.500 0.058 0.000 0.728 275 K HN 0.366 nan 8.250 nan 0.000 0.448 276 Q N 0.949 120.811 119.800 0.103 0.000 2.079 276 Q HA -0.152 4.187 4.340 -0.001 0.000 0.200 276 Q C 2.064 178.193 176.000 0.215 0.000 0.974 276 Q CA 1.515 57.397 55.803 0.132 0.000 0.840 276 Q CB -0.093 28.678 28.738 0.055 0.000 0.898 276 Q HN 0.309 nan 8.270 nan 0.000 0.430 277 A N 0.217 123.163 122.820 0.210 0.000 1.940 277 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 277 A C 2.223 180.044 177.584 0.394 0.000 1.176 277 A CA 1.631 53.797 52.037 0.215 0.000 0.631 277 A CB -0.728 18.316 19.000 0.073 0.000 0.814 277 A HN 0.307 nan 8.150 nan 0.000 0.446 278 V N -0.201 119.918 119.914 0.342 0.000 2.343 278 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 278 V C 3.036 179.253 176.094 0.206 0.000 1.051 278 V CA 1.928 64.399 62.300 0.285 0.000 1.036 278 V CB -1.303 30.634 31.823 0.190 0.000 0.654 278 V HN 0.614 nan 8.190 nan 0.000 0.451 279 A N -0.963 121.982 122.820 0.209 0.000 1.933 279 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 279 A C 2.185 179.909 177.584 0.233 0.000 1.175 279 A CA 2.007 54.162 52.037 0.197 0.000 0.628 279 A CB -0.704 18.422 19.000 0.209 0.000 0.814 279 A HN 0.622 nan 8.150 nan 0.000 0.444 280 Y N 0.487 120.875 120.300 0.146 0.000 2.163 280 Y HA -0.150 4.399 4.550 -0.002 0.000 0.288 280 Y C 2.436 178.357 175.900 0.035 0.000 1.136 280 Y CA 1.763 59.896 58.100 0.055 0.000 1.147 280 Y CB -0.607 37.929 38.460 0.127 0.000 0.987 280 Y HN 0.352 nan 8.280 nan 0.000 0.509 281 R N 0.324 120.844 120.500 0.033 0.000 2.117 281 R HA -0.267 4.072 4.340 -0.001 0.000 0.243 281 R C 2.447 178.670 176.300 -0.127 0.000 1.143 281 R CA 2.067 58.116 56.100 -0.085 0.000 0.968 281 R CB -0.423 29.853 30.300 -0.040 0.000 0.863 281 R HN 0.565 nan 8.270 nan 0.000 0.444 282 Q N 0.478 120.251 119.800 -0.046 0.000 2.002 282 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 282 Q C 2.246 178.206 176.000 -0.066 0.000 0.988 282 Q CA 2.127 57.907 55.803 -0.039 0.000 0.843 282 Q CB -0.155 28.591 28.738 0.013 0.000 0.908 282 Q HN 0.460 nan 8.270 nan 0.000 0.420 283 L N 0.240 121.418 121.223 -0.075 0.000 1.978 283 L HA -0.280 4.059 4.340 -0.001 0.000 0.218 283 L C 2.619 179.407 176.870 -0.136 0.000 1.075 283 L CA 1.732 56.517 54.840 -0.093 0.000 0.767 283 L CB -0.870 41.113 42.059 -0.127 0.000 0.890 283 L HN 0.188 nan 8.230 nan 0.000 0.434 284 S N 0.102 115.656 115.700 -0.243 0.000 2.356 284 S HA -0.125 4.344 4.470 -0.001 0.000 0.223 284 S C 2.036 176.552 174.600 -0.140 0.000 1.032 284 S CA 1.261 59.320 58.200 -0.235 0.000 1.005 284 S CB -0.436 62.533 63.200 -0.385 0.000 0.867 284 S HN 0.266 nan 8.310 nan 0.000 0.449 285 L N 0.951 122.096 121.223 -0.130 0.000 2.079 285 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 285 L C 2.168 178.999 176.870 -0.065 0.000 1.081 285 L CA 1.059 55.845 54.840 -0.090 0.000 0.752 285 L CB -0.431 41.574 42.059 -0.090 0.000 0.896 285 L HN 0.299 nan 8.230 nan 0.000 0.433 286 L N -1.040 120.146 121.223 -0.061 0.000 2.240 286 L HA -0.129 4.210 4.340 -0.001 0.000 0.211 286 L C 2.102 178.952 176.870 -0.034 0.000 1.106 286 L CA 0.630 55.446 54.840 -0.040 0.000 0.793 286 L CB -0.119 41.922 42.059 -0.031 0.000 0.927 286 L HN 0.271 nan 8.230 nan 0.000 0.446 287 L N -0.530 120.668 121.223 -0.042 0.000 2.599 287 L HA 0.038 4.378 4.340 -0.001 0.000 0.230 287 L C 0.809 177.662 176.870 -0.027 0.000 1.141 287 L CA 0.195 55.017 54.840 -0.029 0.000 0.877 287 L CB -0.151 41.888 42.059 -0.034 0.000 1.009 287 L HN 0.262 nan 8.230 nan 0.000 0.447 288 R N -0.325 120.154 120.500 -0.034 0.000 3.875 288 R HA -0.167 4.172 4.340 -0.001 0.000 0.321 288 R C 0.226 176.509 176.300 -0.028 0.000 1.196 288 R CA 0.410 56.492 56.100 -0.029 0.000 0.868 288 R CB -1.650 28.639 30.300 -0.019 0.000 1.333 288 R HN 0.352 nan 8.270 nan 0.000 0.522 289 R N 1.231 121.708 120.500 -0.038 0.000 2.734 289 R HA 0.096 4.436 4.340 -0.001 0.000 0.266 289 R C -1.987 174.295 176.300 -0.030 0.000 1.044 289 R CA -1.272 54.809 56.100 -0.032 0.000 1.128 289 R CB 0.209 30.482 30.300 -0.045 0.000 1.010 289 R HN -0.122 nan 8.270 nan 0.000 0.461 290 P HA 0.073 nan 4.420 nan 0.000 0.267 290 P C -2.258 175.039 177.300 -0.005 0.000 1.209 290 P CA -0.746 62.350 63.100 -0.007 0.000 0.763 290 P CB 0.217 31.921 31.700 0.006 0.000 0.816 291 P HA 0.419 nan 4.420 nan 0.000 0.285 291 P C -0.132 177.178 177.300 0.017 0.000 1.269 291 P CA -0.255 62.842 63.100 -0.004 0.000 0.844 291 P CB 1.782 33.465 31.700 -0.028 0.000 1.094 292 G N 0.511 109.339 108.800 0.047 0.000 3.212 292 G HA2 0.418 4.377 3.960 -0.001 0.000 0.188 292 G HA3 0.418 4.377 3.960 -0.001 0.000 0.188 292 G C -0.733 174.179 174.900 0.021 0.000 1.254 292 G CA -0.949 44.178 45.100 0.046 0.000 0.957 292 G HN 0.614 nan 8.290 nan 0.000 0.596 293 R N 0.493 120.969 120.500 -0.040 0.000 2.502 293 R HA 0.124 4.464 4.340 -0.001 0.000 0.292 293 R C 0.051 176.357 176.300 0.010 0.000 0.998 293 R CA 1.081 57.087 56.100 -0.156 0.000 1.056 293 R CB -0.343 29.639 30.300 -0.529 0.000 0.939 293 R HN 0.695 nan 8.270 nan 0.000 0.411 294 E N 2.844 123.049 120.200 0.008 0.000 2.586 294 E HA -0.332 4.017 4.350 -0.001 0.000 0.259 294 E C 0.302 176.823 176.600 -0.130 0.000 1.107 294 E CA 0.476 56.895 56.400 0.033 0.000 0.754 294 E CB -1.407 28.438 29.700 0.241 0.000 1.335 294 E HN 0.915 nan 8.360 nan 0.000 0.411 295 A N -2.220 120.551 122.820 -0.081 0.000 2.945 295 A HA -0.307 4.012 4.320 -0.001 0.000 0.263 295 A C 0.082 177.580 177.584 -0.144 0.000 1.293 295 A CA 1.847 53.810 52.037 -0.123 0.000 0.944 295 A CB -2.030 16.872 19.000 -0.164 0.000 1.093 295 A HN 0.440 nan 8.150 nan 0.000 0.786 296 Y N 0.207 120.557 120.300 0.084 0.000 2.326 296 Y HA 0.440 4.989 4.550 -0.002 0.000 0.333 296 Y C -1.524 174.414 175.900 0.062 0.000 1.240 296 Y CA -1.498 56.660 58.100 0.096 0.000 1.365 296 Y CB 0.179 38.780 38.460 0.234 0.000 1.289 296 Y HN 0.177 nan 8.280 nan 0.000 0.548 297 P HA -0.041 nan 4.420 nan 0.000 0.266 297 P C 0.723 178.147 177.300 0.206 0.000 1.195 297 P CA 0.469 63.616 63.100 0.078 0.000 0.768 297 P CB 0.729 32.371 31.700 -0.097 0.000 0.838 298 G N 2.922 111.818 108.800 0.159 0.000 2.517 298 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.222 298 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.222 298 G C 0.618 175.653 174.900 0.226 0.000 1.109 298 G CA 0.769 45.972 45.100 0.173 0.000 0.746 298 G HN 0.637 nan 8.290 nan 0.000 0.576 299 D N 0.171 120.728 120.400 0.260 0.000 2.615 299 D HA 0.129 4.768 4.640 -0.001 0.000 0.236 299 D C 1.585 178.091 176.300 0.344 0.000 1.233 299 D CA -0.505 53.681 54.000 0.311 0.000 0.829 299 D CB 0.229 41.213 40.800 0.307 0.000 1.024 299 D HN 0.086 nan 8.370 nan 0.000 0.490 300 V N -0.054 120.047 119.914 0.311 0.000 2.594 300 V HA -0.161 3.958 4.120 -0.001 0.000 0.253 300 V C 1.697 177.809 176.094 0.030 0.000 1.069 300 V CA 1.241 63.650 62.300 0.180 0.000 1.082 300 V CB -0.810 31.062 31.823 0.083 0.000 0.680 300 V HN 0.280 nan 8.190 nan 0.000 0.469 301 F N 0.261 120.215 119.950 0.008 0.000 2.075 301 F HA -0.202 4.325 4.527 -0.001 0.000 0.297 301 F C 2.111 177.961 175.800 0.083 0.000 1.113 301 F CA 2.342 60.351 58.000 0.016 0.000 1.218 301 F CB -0.710 38.331 39.000 0.068 0.000 0.984 301 F HN 0.338 nan 8.300 nan 0.000 0.472 302 Y N 0.638 120.910 120.300 -0.046 0.000 2.421 302 Y HA -0.122 4.427 4.550 -0.002 0.000 0.292 302 Y C 2.053 177.868 175.900 -0.141 0.000 1.136 302 Y CA 1.286 59.304 58.100 -0.136 0.000 1.255 302 Y CB -0.620 37.867 38.460 0.044 0.000 0.991 302 Y HN 0.262 nan 8.280 nan 0.000 0.552 303 L N -0.643 120.459 121.223 -0.202 0.000 2.079 303 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 303 L C 1.850 178.562 176.870 -0.263 0.000 1.081 303 L CA 2.230 56.889 54.840 -0.302 0.000 0.752 303 L CB -0.550 41.244 42.059 -0.441 0.000 0.896 303 L HN 0.309 nan 8.230 nan 0.000 0.433 304 H N -2.188 116.699 119.070 -0.306 0.000 2.582 304 H HA 0.084 4.640 4.556 -0.001 0.000 0.269 304 H C 2.194 177.280 175.328 -0.404 0.000 0.962 304 H CA 0.593 56.422 56.048 -0.365 0.000 1.230 304 H CB 0.326 29.892 29.762 -0.326 0.000 1.445 304 H HN 0.510 nan 8.280 nan 0.000 0.528 305 S N 0.269 115.737 115.700 -0.387 0.000 2.458 305 S HA -0.031 4.438 4.470 -0.001 0.000 0.223 305 S C 1.953 176.397 174.600 -0.261 0.000 1.019 305 S CA -0.009 57.962 58.200 -0.382 0.000 0.937 305 S CB 0.203 63.023 63.200 -0.634 0.000 0.788 305 S HN 0.241 nan 8.310 nan 0.000 0.511 306 R N 0.571 120.833 120.500 -0.397 0.000 2.073 306 R HA 0.003 4.342 4.340 -0.001 0.000 0.234 306 R C 2.367 178.591 176.300 -0.128 0.000 1.134 306 R CA 1.530 57.402 56.100 -0.380 0.000 0.952 306 R CB -0.549 29.274 30.300 -0.795 0.000 0.850 306 R HN 0.486 nan 8.270 nan 0.000 0.433 307 L N 0.918 122.096 121.223 -0.075 0.000 1.976 307 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 307 L C 1.936 178.724 176.870 -0.136 0.000 1.071 307 L CA 1.723 56.493 54.840 -0.116 0.000 0.746 307 L CB -0.305 41.453 42.059 -0.502 0.000 0.890 307 L HN 0.183 nan 8.230 nan 0.000 0.432 308 L N -0.534 120.587 121.223 -0.169 0.000 2.552 308 L HA -0.023 4.316 4.340 -0.001 0.000 0.227 308 L C 2.066 178.913 176.870 -0.038 0.000 1.146 308 L CA 0.259 55.040 54.840 -0.099 0.000 0.858 308 L CB -0.414 41.566 42.059 -0.131 0.000 0.969 308 L HN 0.359 nan 8.230 nan 0.000 0.451 309 E N 0.120 120.297 120.200 -0.039 0.000 2.442 309 E HA -0.047 4.302 4.350 -0.001 0.000 0.195 309 E C 1.883 178.491 176.600 0.014 0.000 1.030 309 E CA 0.216 56.612 56.400 -0.007 0.000 0.869 309 E CB 0.273 29.972 29.700 -0.002 0.000 0.857 309 E HN 0.494 nan 8.360 nan 0.000 0.505 310 R N 0.705 121.218 120.500 0.021 0.000 2.193 310 R HA 0.087 4.426 4.340 -0.001 0.000 0.213 310 R C 1.001 177.332 176.300 0.052 0.000 1.055 310 R CA 0.402 56.529 56.100 0.044 0.000 0.995 310 R CB 0.071 30.409 30.300 0.064 0.000 0.893 310 R HN -0.096 nan 8.270 nan 0.000 0.459 311 A N 1.433 124.284 122.820 0.053 0.000 2.404 311 A HA 0.583 4.902 4.320 -0.001 0.000 0.273 311 A C -0.238 177.361 177.584 0.026 0.000 1.144 311 A CA 0.016 52.079 52.037 0.044 0.000 0.806 311 A CB 0.347 19.375 19.000 0.048 0.000 1.080 311 A HN 0.310 nan 8.150 nan 0.000 0.509 312 A N 2.539 125.372 122.820 0.022 0.000 2.612 312 A HA 0.701 5.020 4.320 -0.001 0.000 0.293 312 A C -0.698 176.890 177.584 0.007 0.000 1.075 312 A CA -0.764 51.281 52.037 0.013 0.000 0.680 312 A CB 1.017 20.028 19.000 0.018 0.000 1.279 312 A HN 0.916 nan 8.150 nan 0.000 0.411 313 K N 0.952 121.348 120.400 -0.006 0.000 2.156 313 K HA 0.742 5.061 4.320 -0.001 0.000 0.271 313 K C -1.285 175.319 176.600 0.007 0.000 0.995 313 K CA -0.200 56.080 56.287 -0.013 0.000 0.890 313 K CB 0.678 33.145 32.500 -0.055 0.000 1.073 313 K HN 0.578 nan 8.250 nan 0.000 0.454 314 L N 3.261 124.494 121.223 0.017 0.000 2.331 314 L HA 0.420 4.759 4.340 -0.001 0.000 0.275 314 L C 0.145 177.029 176.870 0.023 0.000 1.022 314 L CA -1.167 53.683 54.840 0.017 0.000 0.812 314 L CB 1.854 43.919 42.059 0.009 0.000 1.257 314 L HN 0.930 nan 8.230 nan 0.000 0.435 315 S N 0.356 116.068 115.700 0.019 0.000 2.569 315 S HA -0.008 4.461 4.470 -0.001 0.000 0.274 315 S C 0.809 175.421 174.600 0.020 0.000 1.353 315 S CA -0.509 57.704 58.200 0.022 0.000 1.023 315 S CB 0.811 64.020 63.200 0.015 0.000 0.876 315 S HN 0.651 nan 8.310 nan 0.000 0.540 316 E N 1.587 121.802 120.200 0.024 0.000 2.049 316 E HA -0.209 4.140 4.350 -0.001 0.000 0.198 316 E C 1.716 178.319 176.600 0.007 0.000 1.007 316 E CA 1.585 57.997 56.400 0.019 0.000 0.809 316 E CB -0.316 29.394 29.700 0.017 0.000 0.749 316 E HN 0.781 nan 8.360 nan 0.000 0.450 317 K N 0.343 120.746 120.400 0.004 0.000 2.442 317 K HA -0.220 4.099 4.320 -0.001 0.000 0.200 317 K C 0.876 177.471 176.600 -0.009 0.000 1.045 317 K CA 1.245 57.530 56.287 -0.002 0.000 0.937 317 K CB 0.079 32.578 32.500 -0.001 0.000 0.757 317 K HN 0.036 nan 8.250 nan 0.000 0.474 318 E N -1.967 118.228 120.200 -0.009 0.000 2.601 318 E HA 0.129 4.478 4.350 -0.001 0.000 0.219 318 E C 0.306 176.887 176.600 -0.032 0.000 0.964 318 E CA 0.527 56.915 56.400 -0.020 0.000 1.050 318 E CB 1.191 30.883 29.700 -0.015 0.000 1.068 318 E HN 0.402 nan 8.360 nan 0.000 0.496 319 G N -0.685 108.100 108.800 -0.025 0.000 2.296 319 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.188 319 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.188 319 G C 0.671 175.561 174.900 -0.017 0.000 1.000 319 G CA 0.013 45.090 45.100 -0.038 0.000 0.672 319 G HN 0.307 nan 8.290 nan 0.000 0.483 320 S N -0.939 114.768 115.700 0.011 0.000 3.270 320 S HA -0.167 4.303 4.470 -0.001 0.000 0.293 320 S C 1.659 176.316 174.600 0.095 0.000 1.278 320 S CA 1.599 59.830 58.200 0.052 0.000 1.038 320 S CB -1.641 61.602 63.200 0.071 0.000 1.218 320 S HN 2.208 nan 8.310 nan 0.000 0.659 321 G N 1.341 110.158 108.800 0.028 0.000 2.614 321 G HA2 0.440 4.399 3.960 -0.001 0.000 0.239 321 G HA3 0.440 4.399 3.960 -0.001 0.000 0.239 321 G C -0.017 174.959 174.900 0.127 0.000 1.240 321 G CA 0.448 45.564 45.100 0.026 0.000 0.842 321 G HN 1.278 nan 8.290 nan 0.000 0.584 322 S N -0.197 115.648 115.700 0.242 0.000 2.548 322 S HA 0.567 5.036 4.470 -0.001 0.000 0.276 322 S C -1.185 173.495 174.600 0.132 0.000 1.129 322 S CA -0.885 57.411 58.200 0.160 0.000 0.931 322 S CB 1.943 65.188 63.200 0.074 0.000 1.068 322 S HN 0.864 nan 8.310 nan 0.000 0.480 323 L N 2.418 123.683 121.223 0.070 0.000 2.325 323 L HA 0.734 5.073 4.340 -0.001 0.000 0.281 323 L C -0.706 176.173 176.870 0.015 0.000 1.004 323 L CA 0.259 55.132 54.840 0.055 0.000 0.823 323 L CB 1.865 43.965 42.059 0.068 0.000 1.236 323 L HN 0.905 nan 8.230 nan 0.000 0.415 324 T N 4.668 119.216 114.554 -0.010 0.000 2.779 324 T HA 0.794 5.143 4.350 -0.001 0.000 0.280 324 T C -0.409 174.266 174.700 -0.041 0.000 0.987 324 T CA -0.341 61.740 62.100 -0.032 0.000 0.966 324 T CB 1.393 70.226 68.868 -0.058 0.000 0.933 324 T HN 0.763 nan 8.240 nan 0.000 0.442 325 A N 3.628 126.435 122.820 -0.023 0.000 2.304 325 A HA 0.755 5.074 4.320 -0.001 0.000 0.323 325 A C -0.415 177.159 177.584 -0.017 0.000 1.195 325 A CA -0.678 51.343 52.037 -0.027 0.000 0.826 325 A CB 0.450 19.511 19.000 0.102 0.000 1.184 325 A HN 0.874 nan 8.150 nan 0.000 0.496 326 L N 4.994 126.188 121.223 -0.048 0.000 2.371 326 L HA 0.318 4.657 4.340 -0.001 0.000 0.262 326 L C -2.162 174.710 176.870 0.005 0.000 1.054 326 L CA -1.795 53.033 54.840 -0.019 0.000 0.924 326 L CB 1.343 43.388 42.059 -0.022 0.000 1.295 326 L HN 0.517 nan 8.230 nan 0.000 0.441 327 P HA 0.185 nan 4.420 nan 0.000 0.274 327 P C -0.694 176.598 177.300 -0.014 0.000 1.246 327 P CA -0.239 62.897 63.100 0.059 0.000 0.795 327 P CB 1.944 33.632 31.700 -0.020 0.000 1.006 328 V N 2.610 122.500 119.914 -0.040 0.000 2.638 328 V HA 0.380 4.499 4.120 -0.001 0.000 0.306 328 V C -0.007 176.047 176.094 -0.067 0.000 1.052 328 V CA -0.546 61.728 62.300 -0.044 0.000 0.885 328 V CB 1.901 33.707 31.823 -0.029 0.000 0.999 328 V HN 0.378 nan 8.190 nan 0.000 0.424 329 I N 3.306 123.843 120.570 -0.054 0.000 2.465 329 I HA 0.461 4.630 4.170 -0.001 0.000 0.291 329 I C 0.072 176.176 176.117 -0.022 0.000 1.014 329 I CA -0.502 60.771 61.300 -0.046 0.000 1.093 329 I CB 2.065 40.035 38.000 -0.049 0.000 1.267 329 I HN 0.810 nan 8.210 nan 0.000 0.431 330 E N 4.495 124.690 120.200 -0.008 0.000 2.249 330 E HA 0.458 4.807 4.350 -0.001 0.000 0.280 330 E C -0.659 175.956 176.600 0.025 0.000 1.016 330 E CA -0.353 56.046 56.400 -0.002 0.000 0.830 330 E CB 1.193 30.896 29.700 0.005 0.000 1.081 330 E HN 0.701 nan 8.360 nan 0.000 0.395 331 T N 1.700 116.271 114.554 0.029 0.000 2.952 331 T HA 0.369 4.718 4.350 -0.001 0.000 0.286 331 T C -0.336 174.402 174.700 0.063 0.000 1.024 331 T CA -1.128 61.014 62.100 0.070 0.000 1.029 331 T CB 1.553 70.495 68.868 0.124 0.000 1.094 331 T HN 0.350 nan 8.240 nan 0.000 0.515 332 Q N 0.517 120.365 119.800 0.080 0.000 2.307 332 Q HA 0.473 4.813 4.340 -0.001 0.000 0.262 332 Q C 0.963 177.011 176.000 0.081 0.000 0.961 332 Q CA -0.093 55.753 55.803 0.072 0.000 0.882 332 Q CB 1.152 29.934 28.738 0.073 0.000 1.264 332 Q HN 1.296 nan 8.270 nan 0.000 0.446 333 G N 1.944 110.787 108.800 0.073 0.000 2.422 333 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.301 333 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.301 333 G C 0.933 175.903 174.900 0.116 0.000 0.981 333 G CA 1.084 46.234 45.100 0.083 0.000 0.994 333 G HN 1.233 nan 8.290 nan 0.000 0.514 334 G N -0.594 108.299 108.800 0.155 0.000 2.205 334 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.269 334 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.269 334 G C 0.443 175.477 174.900 0.222 0.000 0.977 334 G CA 1.187 46.458 45.100 0.284 0.000 0.652 334 G HN 1.551 nan 8.290 nan 0.000 0.539 335 D N 0.484 120.968 120.400 0.140 0.000 2.357 335 D HA 0.328 4.967 4.640 -0.001 0.000 0.265 335 D C 1.800 178.162 176.300 0.105 0.000 1.334 335 D CA 0.535 54.593 54.000 0.097 0.000 0.984 335 D CB 0.558 41.407 40.800 0.082 0.000 1.077 335 D HN 0.647 nan 8.370 nan 0.000 0.514 336 V N 1.109 121.067 119.914 0.074 0.000 3.461 336 V HA 0.027 4.146 4.120 -0.001 0.000 0.267 336 V C 1.458 177.584 176.094 0.053 0.000 1.186 336 V CA 0.757 63.099 62.300 0.069 0.000 1.154 336 V CB -0.035 31.784 31.823 -0.006 0.000 0.802 336 V HN 0.346 nan 8.190 nan 0.000 0.474 337 S N 0.796 116.526 115.700 0.050 0.000 2.593 337 S HA 0.531 5.001 4.470 -0.001 0.000 0.217 337 S C 1.290 175.945 174.600 0.092 0.000 0.966 337 S CA 0.356 58.591 58.200 0.058 0.000 0.914 337 S CB -0.185 63.039 63.200 0.041 0.000 0.776 337 S HN 0.921 nan 8.310 nan 0.000 0.523 338 A N 0.824 123.706 122.820 0.104 0.000 2.492 338 A HA 0.177 4.496 4.320 -0.001 0.000 0.236 338 A C 0.947 178.644 177.584 0.189 0.000 1.078 338 A CA -0.059 52.064 52.037 0.142 0.000 0.773 338 A CB -0.189 18.890 19.000 0.132 0.000 1.023 338 A HN 0.371 nan 8.150 nan 0.000 0.504 339 Y N 1.702 122.047 120.300 0.075 0.000 2.030 339 Y HA -0.253 4.297 4.550 -0.001 0.000 0.274 339 Y C 1.888 177.816 175.900 0.046 0.000 1.153 339 Y CA 2.450 60.591 58.100 0.067 0.000 1.115 339 Y CB -0.268 38.251 38.460 0.099 0.000 0.969 339 Y HN 0.518 nan 8.280 nan 0.000 0.488 340 I N 0.413 120.896 120.570 -0.144 0.000 2.202 340 I HA -0.154 4.015 4.170 -0.001 0.000 0.242 340 I C -0.406 175.665 176.117 -0.077 0.000 1.091 340 I CA 1.104 62.264 61.300 -0.233 0.000 1.368 340 I CB -2.866 35.005 38.000 -0.214 0.000 1.058 340 I HN 0.170 nan 8.210 nan 0.000 0.410 341 P HA -0.147 nan 4.420 nan 0.000 0.215 341 P C 1.770 179.086 177.300 0.026 0.000 1.163 341 P CA 2.184 65.296 63.100 0.021 0.000 0.894 341 P CB -0.304 31.435 31.700 0.065 0.000 0.791 342 T N -1.013 113.568 114.554 0.045 0.000 2.699 342 T HA -0.186 4.163 4.350 -0.001 0.000 0.268 342 T C 1.654 176.393 174.700 0.065 0.000 1.036 342 T CA 1.613 63.747 62.100 0.056 0.000 1.147 342 T CB -1.115 67.800 68.868 0.078 0.000 0.862 342 T HN 0.091 nan 8.240 nan 0.000 0.446 343 N N 0.863 119.590 118.700 0.045 0.000 2.036 343 N HA -0.088 4.651 4.740 -0.001 0.000 0.195 343 N C 1.925 177.520 175.510 0.141 0.000 1.037 343 N CA 1.020 54.154 53.050 0.139 0.000 0.855 343 N CB -0.800 37.720 38.487 0.054 0.000 1.033 343 N HN 0.249 nan 8.380 nan 0.000 0.423 344 V N 1.094 121.023 119.914 0.024 0.000 2.453 344 V HA -0.070 4.049 4.120 -0.001 0.000 0.247 344 V C 2.232 178.322 176.094 -0.007 0.000 1.048 344 V CA 0.814 63.086 62.300 -0.047 0.000 1.049 344 V CB -0.325 31.399 31.823 -0.166 0.000 0.672 344 V HN 0.238 nan 8.190 nan 0.000 0.457 345 I N 1.326 121.907 120.570 0.019 0.000 2.248 345 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 345 I C 2.506 178.651 176.117 0.047 0.000 1.107 345 I CA 2.059 63.379 61.300 0.033 0.000 1.373 345 I CB -0.289 37.735 38.000 0.040 0.000 1.055 345 I HN 0.501 nan 8.210 nan 0.000 0.418 346 S N -0.201 115.546 115.700 0.078 0.000 2.527 346 S HA 0.092 4.561 4.470 -0.001 0.000 0.222 346 S C 1.725 176.402 174.600 0.128 0.000 0.985 346 S CA 0.202 58.465 58.200 0.106 0.000 0.921 346 S CB -0.289 62.989 63.200 0.130 0.000 0.772 346 S HN 0.412 nan 8.310 nan 0.000 0.529 347 I N 2.142 122.770 120.570 0.096 0.000 2.556 347 I HA 0.015 4.184 4.170 -0.001 0.000 0.251 347 I C 1.564 177.691 176.117 0.016 0.000 1.105 347 I CA 0.767 62.096 61.300 0.048 0.000 1.436 347 I CB -0.538 37.435 38.000 -0.046 0.000 1.139 347 I HN 0.380 nan 8.210 nan 0.000 0.438 348 T N -1.311 113.244 114.554 0.002 0.000 2.802 348 T HA 0.011 4.360 4.350 -0.001 0.000 0.305 348 T C 0.383 175.090 174.700 0.012 0.000 1.053 348 T CA -0.407 61.692 62.100 -0.002 0.000 1.058 348 T CB 0.521 69.384 68.868 -0.009 0.000 0.988 348 T HN 0.132 nan 8.240 nan 0.000 0.539 349 D N 0.750 121.156 120.400 0.009 0.000 2.538 349 D HA 0.384 5.024 4.640 -0.001 0.000 0.234 349 D C 0.915 177.223 176.300 0.013 0.000 1.191 349 D CA 0.149 54.156 54.000 0.012 0.000 0.828 349 D CB -0.452 40.352 40.800 0.007 0.000 0.981 349 D HN 0.988 nan 8.370 nan 0.000 0.490 350 G N 0.523 109.334 108.800 0.017 0.000 2.317 350 G HA2 0.094 4.053 3.960 -0.001 0.000 0.445 350 G HA3 0.094 4.053 3.960 -0.001 0.000 0.445 350 G C -1.611 173.306 174.900 0.028 0.000 1.486 350 G CA -1.039 44.074 45.100 0.022 0.000 0.991 350 G HN -0.002 nan 8.290 nan 0.000 0.660 351 Q N -0.849 118.976 119.800 0.042 0.000 2.348 351 Q HA 0.814 5.153 4.340 -0.001 0.000 0.271 351 Q C -0.104 175.940 176.000 0.072 0.000 1.067 351 Q CA -0.572 55.270 55.803 0.064 0.000 0.839 351 Q CB 2.496 31.290 28.738 0.094 0.000 1.354 351 Q HN 0.589 nan 8.270 nan 0.000 0.447 352 I N 1.957 122.573 120.570 0.077 0.000 2.464 352 I HA 0.293 4.463 4.170 -0.001 0.000 0.277 352 I C -1.156 175.025 176.117 0.107 0.000 1.040 352 I CA -0.594 60.753 61.300 0.079 0.000 1.153 352 I CB 0.616 38.639 38.000 0.037 0.000 1.274 352 I HN 0.490 nan 8.210 nan 0.000 0.469 353 F N 7.646 127.602 119.950 0.010 0.000 2.424 353 F HA 0.535 5.061 4.527 -0.001 0.000 0.356 353 F C -0.586 175.224 175.800 0.017 0.000 1.110 353 F CA -0.330 57.677 58.000 0.012 0.000 1.161 353 F CB 0.606 39.613 39.000 0.012 0.000 1.115 353 F HN 0.191 nan 8.300 nan 0.000 0.507 354 L N 5.572 126.460 121.223 -0.558 0.000 2.322 354 L HA 0.502 4.841 4.340 -0.001 0.000 0.279 354 L C -0.449 176.116 176.870 -0.508 0.000 1.036 354 L CA -0.749 53.883 54.840 -0.348 0.000 0.807 354 L CB 1.659 43.602 42.059 -0.193 0.000 1.226 354 L HN 0.561 nan 8.230 nan 0.000 0.433 355 E N 0.859 120.970 120.200 -0.147 0.000 2.191 355 E HA 0.384 4.733 4.350 -0.001 0.000 0.263 355 E C 0.237 176.820 176.600 -0.029 0.000 0.881 355 E CA -0.382 55.997 56.400 -0.034 0.000 0.757 355 E CB 2.110 31.914 29.700 0.173 0.000 1.147 355 E HN 0.751 nan 8.360 nan 0.000 0.414 356 A N 4.558 127.323 122.820 -0.091 0.000 1.978 356 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 356 A C 1.759 179.209 177.584 -0.224 0.000 1.170 356 A CA 1.292 53.175 52.037 -0.256 0.000 0.636 356 A CB -0.245 18.631 19.000 -0.207 0.000 0.810 356 A HN 0.766 nan 8.150 nan 0.000 0.448 357 E N -0.103 120.120 120.200 0.038 0.000 2.035 357 E HA -0.228 4.121 4.350 -0.001 0.000 0.204 357 E C 2.032 178.701 176.600 0.115 0.000 1.025 357 E CA 1.737 58.223 56.400 0.144 0.000 0.835 357 E CB -0.391 29.386 29.700 0.128 0.000 0.764 357 E HN 0.689 nan 8.360 nan 0.000 0.457 358 L N -0.140 121.126 121.223 0.072 0.000 2.083 358 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 358 L C 2.513 179.395 176.870 0.020 0.000 1.083 358 L CA 0.791 55.662 54.840 0.052 0.000 0.752 358 L CB -0.480 41.604 42.059 0.042 0.000 0.899 358 L HN 0.087 nan 8.230 nan 0.000 0.433 359 F N 0.357 120.200 119.950 -0.178 0.000 2.043 359 F HA -0.327 4.199 4.527 -0.002 0.000 0.297 359 F C 2.384 178.084 175.800 -0.166 0.000 1.121 359 F CA 1.826 59.679 58.000 -0.246 0.000 1.199 359 F CB -0.465 38.273 39.000 -0.436 0.000 0.968 359 F HN -0.020 nan 8.300 nan 0.000 0.478 360 Y N 0.122 120.615 120.300 0.321 0.000 2.352 360 Y HA -0.105 4.444 4.550 -0.002 0.000 0.292 360 Y C 2.284 178.246 175.900 0.103 0.000 1.136 360 Y CA 0.897 59.123 58.100 0.211 0.000 1.227 360 Y CB -1.023 37.527 38.460 0.150 0.000 0.991 360 Y HN 0.017 nan 8.280 nan 0.000 0.545 361 K N -0.737 119.788 120.400 0.208 0.000 2.152 361 K HA -0.083 4.236 4.320 -0.001 0.000 0.206 361 K C 1.699 178.338 176.600 0.065 0.000 1.048 361 K CA 1.333 57.693 56.287 0.121 0.000 0.933 361 K CB -0.441 32.113 32.500 0.091 0.000 0.721 361 K HN 0.556 nan 8.250 nan 0.000 0.447 362 G N 0.673 109.478 108.800 0.008 0.000 2.255 362 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.196 362 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.196 362 G C 0.175 175.004 174.900 -0.117 0.000 0.998 362 G CA -0.344 44.724 45.100 -0.054 0.000 0.656 362 G HN 0.157 nan 8.290 nan 0.000 0.490 363 I N 2.648 123.164 120.570 -0.090 0.000 2.577 363 I HA 0.310 4.480 4.170 -0.001 0.000 0.299 363 I C 0.771 176.783 176.117 -0.175 0.000 1.157 363 I CA 0.533 61.782 61.300 -0.085 0.000 1.418 363 I CB 0.023 38.012 38.000 -0.020 0.000 1.467 363 I HN 0.068 nan 8.210 nan 0.000 0.624 364 R N 7.382 127.760 120.500 -0.203 0.000 2.532 364 R HA 0.433 4.772 4.340 -0.001 0.000 0.297 364 R C -2.578 173.629 176.300 -0.156 0.000 0.984 364 R CA -1.876 54.060 56.100 -0.274 0.000 0.884 364 R CB 1.731 31.752 30.300 -0.465 0.000 1.182 364 R HN 0.202 nan 8.270 nan 0.000 0.442 365 P HA -0.044 nan 4.420 nan 0.000 0.266 365 P C -0.375 176.873 177.300 -0.086 0.000 1.195 365 P CA 0.021 63.059 63.100 -0.104 0.000 0.768 365 P CB 0.770 32.438 31.700 -0.054 0.000 0.838 366 A N 4.727 127.504 122.820 -0.072 0.000 3.033 366 A HA 0.176 4.495 4.320 -0.001 0.000 0.250 366 A C 0.838 178.428 177.584 0.010 0.000 1.633 366 A CA -0.430 51.590 52.037 -0.029 0.000 1.290 366 A CB -1.430 17.580 19.000 0.017 0.000 1.048 366 A HN 0.486 nan 8.150 nan 0.000 0.648 367 I N 1.467 122.048 120.570 0.018 0.000 2.587 367 I HA -0.036 4.133 4.170 -0.001 0.000 0.284 367 I C 0.640 176.811 176.117 0.089 0.000 1.134 367 I CA -0.171 61.160 61.300 0.051 0.000 1.410 367 I CB 0.297 38.323 38.000 0.044 0.000 1.392 367 I HN 0.415 nan 8.210 nan 0.000 0.545 368 N N 6.668 125.461 118.700 0.155 0.000 2.399 368 N HA 0.041 4.780 4.740 -0.001 0.000 0.259 368 N C 0.806 176.385 175.510 0.115 0.000 1.160 368 N CA -0.065 53.086 53.050 0.169 0.000 0.946 368 N CB 1.433 40.100 38.487 0.300 0.000 1.156 368 N HN 0.416 nan 8.380 nan 0.000 0.489 369 V N 3.852 123.814 119.914 0.080 0.000 2.427 369 V HA -0.120 4.000 4.120 -0.001 0.000 0.248 369 V C 2.422 178.541 176.094 0.042 0.000 1.051 369 V CA 2.001 64.339 62.300 0.062 0.000 1.048 369 V CB -0.941 30.920 31.823 0.063 0.000 0.666 369 V HN 0.734 nan 8.190 nan 0.000 0.456 370 G N 0.431 109.248 108.800 0.027 0.000 2.418 370 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.217 370 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.217 370 G C 1.320 176.210 174.900 -0.016 0.000 1.158 370 G CA 0.807 45.906 45.100 -0.002 0.000 0.771 370 G HN 0.542 nan 8.290 nan 0.000 0.545 371 L N 0.729 121.940 121.223 -0.019 0.000 2.769 371 L HA 0.323 4.662 4.340 -0.001 0.000 0.240 371 L C 0.145 177.023 176.870 0.013 0.000 1.163 371 L CA -0.217 54.587 54.840 -0.060 0.000 0.962 371 L CB 0.457 42.379 42.059 -0.229 0.000 1.258 371 L HN -0.021 nan 8.230 nan 0.000 0.513 372 S N 0.919 116.650 115.700 0.051 0.000 2.501 372 S HA 0.737 5.207 4.470 -0.001 0.000 0.301 372 S C -0.219 174.407 174.600 0.044 0.000 1.096 372 S CA -0.577 57.665 58.200 0.070 0.000 1.063 372 S CB 2.611 65.866 63.200 0.093 0.000 1.042 372 S HN 0.093 nan 8.310 nan 0.000 0.494 373 V N -0.242 119.696 119.914 0.040 0.000 3.178 373 V HA 0.850 4.970 4.120 -0.001 0.000 0.302 373 V C -0.616 175.494 176.094 0.026 0.000 1.262 373 V CA -0.812 61.506 62.300 0.029 0.000 1.030 373 V CB 1.816 33.652 31.823 0.022 0.000 1.074 373 V HN 0.690 nan 8.190 nan 0.000 0.438 374 S N 0.947 116.659 115.700 0.021 0.000 2.498 374 S HA 0.503 4.973 4.470 -0.001 0.000 0.324 374 S C 0.741 175.349 174.600 0.014 0.000 1.071 374 S CA -0.646 57.563 58.200 0.015 0.000 1.113 374 S CB 1.152 64.359 63.200 0.011 0.000 0.976 374 S HN 0.821 nan 8.310 nan 0.000 0.462 375 R N 2.943 123.451 120.500 0.013 0.000 2.148 375 R HA -0.020 4.319 4.340 -0.001 0.000 0.227 375 R C 1.740 178.046 176.300 0.011 0.000 1.103 375 R CA 1.114 57.222 56.100 0.013 0.000 0.983 375 R CB -0.258 30.051 30.300 0.015 0.000 0.874 375 R HN 0.583 nan 8.270 nan 0.000 0.451 376 V N 0.317 120.235 119.914 0.007 0.000 2.490 376 V HA -0.118 4.001 4.120 -0.001 0.000 0.250 376 V C 1.655 177.754 176.094 0.008 0.000 1.061 376 V CA 1.554 63.857 62.300 0.005 0.000 1.064 376 V CB -0.998 30.822 31.823 -0.004 0.000 0.670 376 V HN 0.720 nan 8.190 nan 0.000 0.461 377 G N -0.028 108.777 108.800 0.008 0.000 2.566 377 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.280 377 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.280 377 G C 1.036 175.943 174.900 0.010 0.000 1.225 377 G CA 0.483 45.590 45.100 0.011 0.000 0.966 377 G HN 0.315 nan 8.290 nan 0.000 0.560 378 S N 0.558 116.266 115.700 0.013 0.000 2.400 378 S HA 0.019 4.489 4.470 -0.001 0.000 0.232 378 S C 2.820 177.428 174.600 0.013 0.000 1.025 378 S CA 1.956 60.164 58.200 0.013 0.000 0.993 378 S CB -0.709 62.500 63.200 0.015 0.000 0.808 378 S HN 1.718 nan 8.310 nan 0.000 0.478 379 A N 0.500 123.329 122.820 0.015 0.000 2.093 379 A HA 0.034 4.353 4.320 -0.001 0.000 0.222 379 A C 1.510 179.110 177.584 0.028 0.000 1.162 379 A CA 1.695 53.747 52.037 0.025 0.000 0.655 379 A CB -0.429 18.588 19.000 0.030 0.000 0.805 379 A HN 0.572 nan 8.150 nan 0.000 0.461 380 A N -1.184 121.638 122.820 0.005 0.000 2.812 380 A HA 0.521 4.840 4.320 -0.001 0.000 0.294 380 A C 0.036 177.606 177.584 -0.023 0.000 1.014 380 A CA -0.165 51.860 52.037 -0.019 0.000 1.024 380 A CB -0.028 18.944 19.000 -0.047 0.000 1.162 380 A HN 0.490 nan 8.150 nan 0.000 0.511 381 Q N 0.379 120.175 119.800 -0.006 0.000 2.342 381 Q HA 0.555 4.894 4.340 -0.001 0.000 0.267 381 Q C -1.005 174.996 176.000 0.001 0.000 1.038 381 Q CA -0.602 55.200 55.803 -0.002 0.000 0.832 381 Q CB 2.108 30.851 28.738 0.009 0.000 1.323 381 Q HN 0.179 nan 8.270 nan 0.000 0.448 382 V N 5.327 125.242 119.914 0.003 0.000 2.458 382 V HA -0.115 4.004 4.120 -0.001 0.000 0.287 382 V C 1.532 177.635 176.094 0.016 0.000 1.009 382 V CA 0.712 63.017 62.300 0.009 0.000 1.091 382 V CB 0.425 32.260 31.823 0.019 0.000 0.960 382 V HN 0.902 nan 8.190 nan 0.000 0.476 383 K N 5.325 125.733 120.400 0.014 0.000 2.077 383 K HA -0.296 4.023 4.320 -0.001 0.000 0.213 383 K C 2.072 178.686 176.600 0.023 0.000 1.051 383 K CA 2.115 58.412 56.287 0.017 0.000 0.929 383 K CB -0.239 32.269 32.500 0.013 0.000 0.715 383 K HN 0.813 nan 8.250 nan 0.000 0.451 384 A N 0.987 123.820 122.820 0.023 0.000 1.927 384 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 384 A C 2.088 179.696 177.584 0.040 0.000 1.185 384 A CA 1.872 53.926 52.037 0.028 0.000 0.639 384 A CB -0.688 18.325 19.000 0.020 0.000 0.820 384 A HN 0.429 nan 8.150 nan 0.000 0.451 385 L N -0.262 120.983 121.223 0.037 0.000 2.044 385 L HA -0.053 4.286 4.340 -0.001 0.000 0.205 385 L C 2.356 179.251 176.870 0.041 0.000 1.075 385 L CA 2.485 57.350 54.840 0.042 0.000 0.747 385 L CB -0.503 41.578 42.059 0.037 0.000 0.903 385 L HN 0.464 nan 8.230 nan 0.000 0.435 386 K N -0.896 119.524 120.400 0.033 0.000 2.218 386 K HA -0.247 4.073 4.320 -0.001 0.000 0.205 386 K C 1.961 178.582 176.600 0.034 0.000 1.046 386 K CA 1.713 58.018 56.287 0.030 0.000 0.933 386 K CB -0.035 32.479 32.500 0.023 0.000 0.728 386 K HN 0.545 nan 8.250 nan 0.000 0.454 387 Q N -0.064 119.761 119.800 0.041 0.000 2.049 387 Q HA -0.114 4.225 4.340 -0.001 0.000 0.198 387 Q C 2.186 178.223 176.000 0.062 0.000 0.971 387 Q CA 1.810 57.642 55.803 0.049 0.000 0.833 387 Q CB 0.114 28.885 28.738 0.055 0.000 0.896 387 Q HN 0.374 nan 8.270 nan 0.000 0.434 388 V N -3.116 116.847 119.914 0.082 0.000 2.725 388 V HA 0.160 4.279 4.120 -0.001 0.000 0.247 388 V C 1.881 178.000 176.094 0.041 0.000 1.058 388 V CA 1.241 63.596 62.300 0.090 0.000 1.080 388 V CB -0.482 31.448 31.823 0.178 0.000 0.713 388 V HN 0.218 nan 8.190 nan 0.000 0.465 389 A N 1.307 124.153 122.820 0.043 0.000 1.975 389 A HA 0.417 4.736 4.320 -0.001 0.000 0.215 389 A C 1.750 179.350 177.584 0.026 0.000 1.170 389 A CA 0.737 52.794 52.037 0.033 0.000 0.656 389 A CB -1.268 17.756 19.000 0.040 0.000 0.821 389 A HN 0.865 nan 8.150 nan 0.000 0.449 390 G N 0.032 108.848 108.800 0.026 0.000 2.341 390 G HA2 0.298 4.258 3.960 -0.001 0.000 0.231 390 G HA3 0.298 4.258 3.960 -0.001 0.000 0.231 390 G C 0.866 175.781 174.900 0.025 0.000 1.206 390 G CA 1.230 46.345 45.100 0.025 0.000 0.865 390 G HN 1.801 nan 8.290 nan 0.000 0.515 391 S N 0.194 115.915 115.700 0.036 0.000 3.127 391 S HA -0.317 4.152 4.470 -0.001 0.000 0.281 391 S C 1.470 176.119 174.600 0.082 0.000 1.293 391 S CA 1.474 59.705 58.200 0.052 0.000 1.156 391 S CB -1.719 61.506 63.200 0.042 0.000 1.389 391 S HN 1.656 nan 8.310 nan 0.000 0.672 392 L N 1.750 123.016 121.223 0.072 0.000 2.017 392 L HA 0.184 4.523 4.340 -0.001 0.000 0.208 392 L C 2.440 179.402 176.870 0.153 0.000 1.073 392 L CA 2.742 57.645 54.840 0.106 0.000 0.745 392 L CB -0.985 41.114 42.059 0.066 0.000 0.894 392 L HN 0.552 nan 8.230 nan 0.000 0.432 393 K N -0.841 119.620 120.400 0.103 0.000 2.063 393 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 393 K C 2.145 178.798 176.600 0.088 0.000 1.048 393 K CA 1.633 57.973 56.287 0.089 0.000 0.928 393 K CB -0.323 32.214 32.500 0.061 0.000 0.713 393 K HN 0.403 nan 8.250 nan 0.000 0.442 394 L N 0.610 121.887 121.223 0.090 0.000 2.093 394 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 394 L C 2.062 178.995 176.870 0.105 0.000 1.085 394 L CA 1.524 56.411 54.840 0.078 0.000 0.755 394 L CB -0.549 41.551 42.059 0.069 0.000 0.904 394 L HN 0.266 nan 8.230 nan 0.000 0.435 395 F N 0.902 120.868 119.950 0.026 0.000 2.060 395 F HA -0.221 4.305 4.527 -0.001 0.000 0.295 395 F C 2.277 178.127 175.800 0.084 0.000 1.120 395 F CA 1.585 59.606 58.000 0.034 0.000 1.205 395 F CB -0.517 38.486 39.000 0.004 0.000 0.986 395 F HN -0.043 nan 8.300 nan 0.000 0.470 396 L N 0.399 121.659 121.223 0.062 0.000 2.197 396 L HA -0.288 4.051 4.340 -0.001 0.000 0.215 396 L C 2.731 179.591 176.870 -0.017 0.000 1.095 396 L CA 1.141 56.005 54.840 0.041 0.000 0.764 396 L CB -1.274 40.875 42.059 0.151 0.000 0.897 396 L HN 0.360 nan 8.230 nan 0.000 0.436 397 A N -0.093 122.710 122.820 -0.028 0.000 1.835 397 A HA -0.276 4.043 4.320 -0.001 0.000 0.215 397 A C 2.222 179.746 177.584 -0.101 0.000 1.199 397 A CA 1.838 53.848 52.037 -0.045 0.000 0.615 397 A CB -0.600 18.390 19.000 -0.017 0.000 0.838 397 A HN 0.473 nan 8.150 nan 0.000 0.444 398 Q N -1.975 117.747 119.800 -0.131 0.000 2.170 398 Q HA -0.184 4.155 4.340 -0.001 0.000 0.203 398 Q C 1.923 177.804 176.000 -0.198 0.000 0.976 398 Q CA 1.674 57.386 55.803 -0.151 0.000 0.858 398 Q CB -0.410 28.257 28.738 -0.118 0.000 0.907 398 Q HN 0.835 nan 8.270 nan 0.000 0.433 399 Y N 1.832 121.855 120.300 -0.461 0.000 2.274 399 Y HA -0.193 4.356 4.550 -0.001 0.000 0.290 399 Y C 1.738 177.511 175.900 -0.211 0.000 1.145 399 Y CA 1.353 59.195 58.100 -0.431 0.000 1.203 399 Y CB 0.014 38.074 38.460 -0.666 0.000 0.984 399 Y HN -0.050 nan 8.280 nan 0.000 0.533 400 R N 0.437 120.712 120.500 -0.375 0.000 2.088 400 R HA -0.248 4.091 4.340 -0.001 0.000 0.232 400 R C 2.188 178.316 176.300 -0.286 0.000 1.136 400 R CA 1.860 57.747 56.100 -0.356 0.000 0.926 400 R CB -0.898 29.300 30.300 -0.171 0.000 0.837 400 R HN 0.460 nan 8.270 nan 0.000 0.429 401 E N 1.523 121.609 120.200 -0.189 0.000 2.035 401 E HA -0.219 4.130 4.350 -0.001 0.000 0.204 401 E C 1.953 178.490 176.600 -0.105 0.000 1.025 401 E CA 2.200 58.517 56.400 -0.137 0.000 0.835 401 E CB -0.510 29.105 29.700 -0.141 0.000 0.764 401 E HN 0.130 nan 8.360 nan 0.000 0.457 402 V N 1.034 120.885 119.914 -0.105 0.000 2.332 402 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 402 V C 2.541 178.640 176.094 0.008 0.000 1.055 402 V CA 2.023 64.350 62.300 0.044 0.000 1.038 402 V CB -1.088 30.761 31.823 0.042 0.000 0.651 402 V HN 0.578 nan 8.190 nan 0.000 0.450 403 A N -0.181 122.524 122.820 -0.191 0.000 1.940 403 A HA -0.082 4.237 4.320 -0.001 0.000 0.219 403 A C 2.174 179.639 177.584 -0.197 0.000 1.176 403 A CA 1.947 53.841 52.037 -0.239 0.000 0.631 403 A CB -0.572 18.119 19.000 -0.515 0.000 0.814 403 A HN 0.632 nan 8.150 nan 0.000 0.446 404 A N -2.502 120.212 122.820 -0.178 0.000 2.278 404 A HA 0.399 4.718 4.320 -0.001 0.000 0.212 404 A C 1.352 178.798 177.584 -0.229 0.000 1.213 404 A CA 0.717 52.655 52.037 -0.166 0.000 0.840 404 A CB -0.503 18.445 19.000 -0.088 0.000 0.866 404 A HN 0.750 nan 8.150 nan 0.000 0.489 405 F N -1.234 118.493 119.950 -0.371 0.000 2.727 405 F HA 0.486 5.012 4.527 -0.002 0.000 0.302 405 F C 1.740 177.273 175.800 -0.445 0.000 1.107 405 F CA 0.629 58.383 58.000 -0.410 0.000 1.277 405 F CB 0.235 39.116 39.000 -0.198 0.000 1.079 405 F HN 0.120 nan 8.300 nan 0.000 0.594 406 A N 0.152 122.705 122.820 -0.445 0.000 2.238 406 A HA 0.075 4.394 4.320 -0.001 0.000 0.210 406 A C 1.966 179.313 177.584 -0.395 0.000 1.179 406 A CA 0.156 51.943 52.037 -0.418 0.000 0.827 406 A CB -0.426 18.461 19.000 -0.188 0.000 0.856 406 A HN 0.381 nan 8.150 nan 0.000 0.488 407 Q N -0.140 119.364 119.800 -0.493 0.000 2.047 407 Q HA -0.252 4.087 4.340 -0.001 0.000 0.211 407 Q C 1.496 177.347 176.000 -0.249 0.000 1.005 407 Q CA 2.532 58.109 55.803 -0.376 0.000 0.866 407 Q CB -0.395 28.075 28.738 -0.447 0.000 0.938 407 Q HN 0.907 nan 8.270 nan 0.000 0.414 408 F N -2.454 117.434 119.950 -0.103 0.000 2.724 408 F HA 0.429 4.956 4.527 0.000 0.000 0.306 408 F C 1.233 176.946 175.800 -0.146 0.000 1.100 408 F CA -0.154 57.786 58.000 -0.100 0.000 1.255 408 F CB -0.400 38.556 39.000 -0.074 0.000 1.072 408 F HN -0.138 nan 8.300 nan 0.000 0.589 409 G N 1.324 109.945 108.800 -0.299 0.000 2.605 409 G HA2 0.288 4.247 3.960 -0.001 0.000 0.301 409 G HA3 0.288 4.247 3.960 -0.001 0.000 0.301 409 G C 0.769 175.546 174.900 -0.205 0.000 0.881 409 G CA 0.207 45.122 45.100 -0.307 0.000 1.553 409 G HN 0.365 nan 8.290 nan 0.000 0.483 410 S N 1.240 116.880 115.700 -0.101 0.000 2.527 410 S HA 0.003 4.472 4.470 -0.001 0.000 0.222 410 S C 0.529 175.094 174.600 -0.059 0.000 0.985 410 S CA -0.148 58.012 58.200 -0.067 0.000 0.921 410 S CB 0.347 63.528 63.200 -0.031 0.000 0.772 410 S HN 0.390 nan 8.310 nan 0.000 0.529 411 D N 1.718 122.075 120.400 -0.070 0.000 2.325 411 D HA 0.441 5.080 4.640 -0.001 0.000 0.251 411 D C -0.984 175.282 176.300 -0.057 0.000 1.196 411 D CA 0.025 53.996 54.000 -0.049 0.000 0.866 411 D CB 0.503 41.281 40.800 -0.037 0.000 1.101 411 D HN 0.295 nan 8.370 nan 0.000 0.476 412 L N 4.240 125.446 121.223 -0.029 0.000 2.388 412 L HA 0.288 4.627 4.340 -0.001 0.000 0.267 412 L C -0.255 176.620 176.870 0.009 0.000 0.995 412 L CA -1.167 53.665 54.840 -0.014 0.000 0.864 412 L CB 1.317 43.366 42.059 -0.016 0.000 1.216 412 L HN 0.323 nan 8.230 nan 0.000 0.430 413 D N 2.566 122.982 120.400 0.027 0.000 2.425 413 D HA 0.038 4.677 4.640 -0.001 0.000 0.247 413 D C 1.132 177.451 176.300 0.032 0.000 1.147 413 D CA -0.158 53.862 54.000 0.032 0.000 0.879 413 D CB 2.024 42.851 40.800 0.045 0.000 1.179 413 D HN 0.520 nan 8.370 nan 0.000 0.456 414 A N 2.860 125.694 122.820 0.022 0.000 2.148 414 A HA -0.248 4.071 4.320 -0.001 0.000 0.222 414 A C 2.233 179.834 177.584 0.027 0.000 1.161 414 A CA 1.808 53.856 52.037 0.019 0.000 0.662 414 A CB -0.510 18.496 19.000 0.011 0.000 0.799 414 A HN 0.608 nan 8.150 nan 0.000 0.466 415 S N -0.731 114.989 115.700 0.034 0.000 2.338 415 S HA -0.138 4.331 4.470 -0.001 0.000 0.218 415 S C 2.259 176.896 174.600 0.062 0.000 1.032 415 S CA 2.298 60.523 58.200 0.042 0.000 0.999 415 S CB -0.522 62.703 63.200 0.041 0.000 0.905 415 S HN 0.844 nan 8.310 nan 0.000 0.439 416 T N -0.082 114.516 114.554 0.074 0.000 2.942 416 T HA 0.102 4.451 4.350 -0.001 0.000 0.265 416 T C 1.853 176.608 174.700 0.092 0.000 1.062 416 T CA 0.885 63.043 62.100 0.097 0.000 1.139 416 T CB -0.270 68.679 68.868 0.136 0.000 0.883 416 T HN 0.227 nan 8.240 nan 0.000 0.468 417 K N 1.482 121.921 120.400 0.065 0.000 2.057 417 K HA -0.185 4.135 4.320 -0.001 0.000 0.206 417 K C 2.456 179.088 176.600 0.055 0.000 1.050 417 K CA 1.905 58.222 56.287 0.051 0.000 0.935 417 K CB -0.333 32.183 32.500 0.027 0.000 0.715 417 K HN 0.489 nan 8.250 nan 0.000 0.439 418 Q N 0.457 120.285 119.800 0.048 0.000 2.170 418 Q HA -0.077 4.263 4.340 -0.001 0.000 0.203 418 Q C 1.551 177.594 176.000 0.071 0.000 0.976 418 Q CA 2.296 58.122 55.803 0.037 0.000 0.858 418 Q CB -0.396 28.353 28.738 0.020 0.000 0.907 418 Q HN 0.232 nan 8.270 nan 0.000 0.433 419 T N 0.708 115.334 114.554 0.121 0.000 2.951 419 T HA 0.029 4.378 4.350 -0.001 0.000 0.268 419 T C 1.511 176.356 174.700 0.242 0.000 1.073 419 T CA 0.878 63.116 62.100 0.228 0.000 1.134 419 T CB -0.086 68.916 68.868 0.223 0.000 0.884 419 T HN 0.239 nan 8.240 nan 0.000 0.479 420 L N 0.674 122.004 121.223 0.178 0.000 2.093 420 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 420 L C 2.563 179.487 176.870 0.089 0.000 1.085 420 L CA 0.872 55.835 54.840 0.205 0.000 0.755 420 L CB -0.576 41.583 42.059 0.168 0.000 0.904 420 L HN 0.170 nan 8.230 nan 0.000 0.435 421 V N -0.393 119.555 119.914 0.056 0.000 2.343 421 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 421 V C 2.589 178.661 176.094 -0.037 0.000 1.051 421 V CA 1.688 63.989 62.300 0.002 0.000 1.036 421 V CB -0.664 31.154 31.823 -0.009 0.000 0.654 421 V HN 0.371 nan 8.190 nan 0.000 0.451 422 R N 1.132 121.629 120.500 -0.005 0.000 2.096 422 R HA -0.060 4.279 4.340 -0.001 0.000 0.235 422 R C 2.226 178.520 176.300 -0.010 0.000 1.127 422 R CA 1.656 57.712 56.100 -0.073 0.000 0.968 422 R CB -1.154 29.035 30.300 -0.184 0.000 0.861 422 R HN 0.489 nan 8.270 nan 0.000 0.440 423 G N 0.015 108.798 108.800 -0.029 0.000 2.414 423 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 423 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 423 G C 1.131 175.550 174.900 -0.802 0.000 1.188 423 G CA 0.709 45.287 45.100 -0.871 0.000 0.783 423 G HN 0.440 nan 8.290 nan 0.000 0.537 424 E N -0.008 119.931 120.200 -0.434 0.000 2.204 424 E HA -0.074 4.275 4.350 -0.001 0.000 0.195 424 E C 2.685 179.236 176.600 -0.082 0.000 0.990 424 E CA 0.527 56.855 56.400 -0.120 0.000 0.821 424 E CB -0.011 29.693 29.700 0.006 0.000 0.750 424 E HN 0.285 nan 8.360 nan 0.000 0.477 425 R N 0.189 120.627 120.500 -0.104 0.000 2.075 425 R HA 0.018 4.357 4.340 -0.001 0.000 0.226 425 R C 2.289 178.550 176.300 -0.066 0.000 1.114 425 R CA 0.636 56.688 56.100 -0.080 0.000 0.972 425 R CB -0.058 30.179 30.300 -0.104 0.000 0.869 425 R HN 0.097 nan 8.270 nan 0.000 0.437 426 L N -0.388 120.790 121.223 -0.075 0.000 2.056 426 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 426 L C 2.206 179.078 176.870 0.004 0.000 1.078 426 L CA 1.329 56.151 54.840 -0.030 0.000 0.749 426 L CB -0.523 41.534 42.059 -0.003 0.000 0.901 426 L HN 0.235 nan 8.230 nan 0.000 0.433 427 T N -1.095 113.453 114.554 -0.009 0.000 2.720 427 T HA -0.303 4.046 4.350 -0.001 0.000 0.268 427 T C 1.853 176.573 174.700 0.033 0.000 1.037 427 T CA 1.802 63.926 62.100 0.041 0.000 1.144 427 T CB -0.125 68.799 68.868 0.094 0.000 0.864 427 T HN 0.242 nan 8.240 nan 0.000 0.444 428 Q N 0.284 120.095 119.800 0.019 0.000 2.230 428 Q HA 0.160 4.500 4.340 -0.001 0.000 0.202 428 Q C 2.008 178.027 176.000 0.032 0.000 0.963 428 Q CA 0.963 56.781 55.803 0.025 0.000 0.866 428 Q CB -0.469 28.283 28.738 0.023 0.000 0.931 428 Q HN 0.495 nan 8.270 nan 0.000 0.452 429 L N -0.464 120.776 121.223 0.028 0.000 2.156 429 L HA -0.011 4.328 4.340 -0.001 0.000 0.208 429 L C 1.444 178.340 176.870 0.045 0.000 1.095 429 L CA 0.734 55.602 54.840 0.047 0.000 0.770 429 L CB 0.059 42.143 42.059 0.041 0.000 0.914 429 L HN 0.334 nan 8.230 nan 0.000 0.439 430 L N -0.641 120.602 121.223 0.034 0.000 2.591 430 L HA 0.013 4.352 4.340 -0.001 0.000 0.228 430 L C 0.850 177.727 176.870 0.012 0.000 1.133 430 L CA 0.034 54.891 54.840 0.029 0.000 0.880 430 L CB -0.205 41.874 42.059 0.035 0.000 1.033 430 L HN 0.103 nan 8.230 nan 0.000 0.450 431 K N 1.193 121.598 120.400 0.008 0.000 2.355 431 K HA 0.194 4.513 4.320 -0.001 0.000 0.270 431 K C -0.159 176.434 176.600 -0.012 0.000 1.003 431 K CA 0.348 56.627 56.287 -0.014 0.000 0.957 431 K CB 0.709 33.203 32.500 -0.010 0.000 0.939 431 K HN 0.020 nan 8.250 nan 0.000 0.482 432 Q N 1.578 121.356 119.800 -0.036 0.000 2.352 432 Q HA 0.169 4.508 4.340 -0.001 0.000 0.270 432 Q C -1.454 174.517 176.000 -0.048 0.000 1.006 432 Q CA -0.793 54.992 55.803 -0.030 0.000 0.880 432 Q CB 1.562 30.282 28.738 -0.029 0.000 1.392 432 Q HN 0.490 nan 8.270 nan 0.000 0.401 433 N N 2.184 120.870 118.700 -0.023 0.000 2.479 433 N HA 0.029 4.768 4.740 -0.001 0.000 0.257 433 N C -0.604 174.876 175.510 -0.051 0.000 1.232 433 N CA 0.120 53.159 53.050 -0.018 0.000 0.920 433 N CB 0.753 39.256 38.487 0.027 0.000 1.105 433 N HN 0.529 nan 8.380 nan 0.000 0.444 434 Q N 0.803 120.541 119.800 -0.102 0.000 2.394 434 Q HA 0.008 4.347 4.340 -0.001 0.000 0.248 434 Q C -0.363 175.510 176.000 -0.212 0.000 0.992 434 Q CA -0.120 55.487 55.803 -0.327 0.000 0.888 434 Q CB 0.243 28.642 28.738 -0.565 0.000 1.257 434 Q HN 0.617 nan 8.270 nan 0.000 0.462 435 Y N -0.303 119.982 120.300 -0.025 0.000 4.079 435 Y HA -0.265 4.284 4.550 -0.001 0.000 0.223 435 Y C -0.204 175.723 175.900 0.044 0.000 1.155 435 Y CA 0.741 58.829 58.100 -0.021 0.000 1.805 435 Y CB -2.439 36.015 38.460 -0.010 0.000 1.571 435 Y HN 0.398 nan 8.280 nan 0.000 0.654 436 S N -0.450 115.307 115.700 0.095 0.000 2.327 436 S HA 0.314 4.783 4.470 -0.001 0.000 0.203 436 S C -2.333 172.285 174.600 0.030 0.000 1.326 436 S CA -0.972 57.272 58.200 0.074 0.000 1.248 436 S CB 1.029 64.266 63.200 0.061 0.000 1.199 436 S HN 0.149 nan 8.310 nan 0.000 0.422 437 P HA 0.315 nan 4.420 nan 0.000 0.271 437 P C -0.602 176.695 177.300 -0.005 0.000 1.218 437 P CA -0.364 62.742 63.100 0.009 0.000 0.780 437 P CB 0.908 32.618 31.700 0.017 0.000 0.901 438 L N 1.254 122.472 121.223 -0.008 0.000 2.334 438 L HA 0.623 4.962 4.340 -0.001 0.000 0.272 438 L C 0.813 177.665 176.870 -0.030 0.000 1.020 438 L CA -1.132 53.693 54.840 -0.025 0.000 0.812 438 L CB 1.528 43.576 42.059 -0.018 0.000 1.264 438 L HN 0.399 nan 8.230 nan 0.000 0.439 439 A N 0.825 123.609 122.820 -0.059 0.000 2.332 439 A HA 0.319 4.638 4.320 -0.001 0.000 0.258 439 A C 1.076 178.652 177.584 -0.014 0.000 1.087 439 A CA -0.136 51.867 52.037 -0.058 0.000 0.802 439 A CB 0.373 19.309 19.000 -0.105 0.000 1.042 439 A HN 0.859 nan 8.150 nan 0.000 0.489 440 T N 0.779 115.350 114.554 0.029 0.000 2.788 440 T HA -0.131 4.218 4.350 -0.001 0.000 0.268 440 T C 1.656 176.358 174.700 0.002 0.000 1.044 440 T CA 1.638 63.759 62.100 0.036 0.000 1.139 440 T CB -0.172 68.738 68.868 0.070 0.000 0.867 440 T HN 0.870 nan 8.240 nan 0.000 0.454 441 E N 1.766 121.955 120.200 -0.018 0.000 2.409 441 E HA -0.149 4.200 4.350 -0.001 0.000 0.198 441 E C 1.314 177.863 176.600 -0.086 0.000 1.024 441 E CA 0.992 57.362 56.400 -0.050 0.000 0.861 441 E CB -0.166 29.500 29.700 -0.058 0.000 0.788 441 E HN 0.586 nan 8.360 nan 0.000 0.521 442 E N 0.378 120.530 120.200 -0.080 0.000 2.276 442 E HA 0.013 4.362 4.350 -0.001 0.000 0.193 442 E C 2.076 178.636 176.600 -0.067 0.000 0.983 442 E CA 0.113 56.450 56.400 -0.106 0.000 0.861 442 E CB 0.167 29.806 29.700 -0.100 0.000 0.817 442 E HN 0.291 nan 8.360 nan 0.000 0.485 443 Q N 0.499 120.284 119.800 -0.025 0.000 2.083 443 Q HA -0.109 4.230 4.340 -0.001 0.000 0.198 443 Q C 2.566 178.588 176.000 0.036 0.000 0.969 443 Q CA 1.547 57.358 55.803 0.012 0.000 0.838 443 Q CB 0.115 28.867 28.738 0.023 0.000 0.900 443 Q HN 0.261 nan 8.270 nan 0.000 0.436 444 V N -0.548 119.381 119.914 0.026 0.000 2.358 444 V HA -0.055 4.064 4.120 -0.001 0.000 0.246 444 V C -0.935 175.219 176.094 0.099 0.000 1.047 444 V CA 1.100 63.437 62.300 0.061 0.000 1.035 444 V CB -1.804 30.047 31.823 0.046 0.000 0.658 444 V HN 0.186 nan 8.190 nan 0.000 0.452 445 P HA -0.097 nan 4.420 nan 0.000 0.220 445 P C 2.095 179.561 177.300 0.277 0.000 1.148 445 P CA 1.424 64.559 63.100 0.059 0.000 0.803 445 P CB -0.008 31.573 31.700 -0.198 0.000 0.782 446 L N -1.126 120.212 121.223 0.192 0.000 2.095 446 L HA -0.050 4.289 4.340 -0.001 0.000 0.204 446 L C 2.682 179.698 176.870 0.244 0.000 1.080 446 L CA 1.059 56.066 54.840 0.279 0.000 0.759 446 L CB -0.519 41.638 42.059 0.165 0.000 0.914 446 L HN -0.155 nan 8.230 nan 0.000 0.439 447 I N -1.546 119.129 120.570 0.175 0.000 2.353 447 I HA -0.325 3.844 4.170 -0.001 0.000 0.248 447 I C 2.383 178.583 176.117 0.138 0.000 1.119 447 I CA 1.103 62.478 61.300 0.125 0.000 1.417 447 I CB -0.188 37.865 38.000 0.089 0.000 1.078 447 I HN 0.187 nan 8.210 nan 0.000 0.421 448 Y N 1.611 121.964 120.300 0.089 0.000 2.097 448 Y HA -0.371 4.178 4.550 -0.001 0.000 0.282 448 Y C 2.539 178.516 175.900 0.129 0.000 1.152 448 Y CA 1.821 59.976 58.100 0.093 0.000 1.136 448 Y CB -0.365 38.150 38.460 0.091 0.000 0.975 448 Y HN 0.142 nan 8.280 nan 0.000 0.498 449 A N 0.290 123.330 122.820 0.366 0.000 1.917 449 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 449 A C 2.446 180.085 177.584 0.092 0.000 1.182 449 A CA 2.005 54.185 52.037 0.239 0.000 0.633 449 A CB -1.814 17.314 19.000 0.214 0.000 0.819 449 A HN 0.650 nan 8.150 nan 0.000 0.448 450 G N -0.640 108.180 108.800 0.032 0.000 2.484 450 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.215 450 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.215 450 G C 1.522 176.337 174.900 -0.142 0.000 1.219 450 G CA 1.359 46.421 45.100 -0.064 0.000 0.791 450 G HN 0.349 nan 8.290 nan 0.000 0.550 451 V N 1.737 121.557 119.914 -0.157 0.000 2.407 451 V HA -0.139 3.980 4.120 -0.001 0.000 0.248 451 V C 1.989 177.913 176.094 -0.283 0.000 1.055 451 V CA 1.611 63.765 62.300 -0.244 0.000 1.049 451 V CB -0.416 31.290 31.823 -0.196 0.000 0.662 451 V HN 0.358 nan 8.190 nan 0.000 0.455 452 N N 0.165 118.698 118.700 -0.278 0.000 2.421 452 N HA 0.095 4.834 4.740 -0.001 0.000 0.201 452 N C 1.550 176.823 175.510 -0.396 0.000 1.198 452 N CA 0.955 53.806 53.050 -0.332 0.000 0.838 452 N CB 0.706 38.958 38.487 -0.392 0.000 1.011 452 N HN 0.603 nan 8.380 nan 0.000 0.463 453 G N 0.524 109.143 108.800 -0.302 0.000 2.184 453 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.264 453 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.264 453 G C 0.673 175.420 174.900 -0.255 0.000 0.975 453 G CA 0.571 45.504 45.100 -0.279 0.000 0.642 453 G HN 0.531 nan 8.290 nan 0.000 0.536 454 H N -0.265 118.720 119.070 -0.142 0.000 2.541 454 H HA 0.222 4.777 4.556 -0.001 0.000 0.289 454 H C 2.492 177.711 175.328 -0.182 0.000 1.054 454 H CA 1.383 57.360 56.048 -0.117 0.000 1.250 454 H CB 0.028 29.748 29.762 -0.071 0.000 1.369 454 H HN 0.476 nan 8.280 nan 0.000 0.578 455 L N -0.395 120.749 121.223 -0.132 0.000 2.590 455 L HA 0.009 4.348 4.340 -0.001 0.000 0.227 455 L C 1.164 177.940 176.870 -0.157 0.000 1.099 455 L CA -0.016 54.686 54.840 -0.231 0.000 0.872 455 L CB 0.288 42.172 42.059 -0.291 0.000 1.088 455 L HN 0.161 nan 8.230 nan 0.000 0.479 456 D N 0.786 121.109 120.400 -0.129 0.000 2.149 456 D HA -0.161 4.478 4.640 -0.001 0.000 0.198 456 D C 2.120 178.373 176.300 -0.078 0.000 0.990 456 D CA 1.526 55.466 54.000 -0.101 0.000 0.839 456 D CB -0.232 40.507 40.800 -0.102 0.000 0.948 456 D HN 0.310 nan 8.370 nan 0.000 0.460 457 G N 0.365 109.121 108.800 -0.074 0.000 2.403 457 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.216 457 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.216 457 G C 0.780 175.646 174.900 -0.057 0.000 1.154 457 G CA -0.087 44.980 45.100 -0.056 0.000 0.784 457 G HN 0.239 nan 8.290 nan 0.000 0.538 458 I N 2.213 122.745 120.570 -0.063 0.000 2.533 458 I HA 0.102 4.271 4.170 -0.001 0.000 0.284 458 I C 0.578 176.667 176.117 -0.048 0.000 1.109 458 I CA -0.445 60.825 61.300 -0.051 0.000 1.412 458 I CB 0.862 38.857 38.000 -0.008 0.000 1.396 458 I HN 0.391 nan 8.210 nan 0.000 0.543 459 E N 5.863 126.037 120.200 -0.043 0.000 2.413 459 E HA -0.054 4.295 4.350 -0.001 0.000 0.263 459 E C 0.720 177.316 176.600 -0.005 0.000 1.015 459 E CA -0.589 55.794 56.400 -0.028 0.000 0.916 459 E CB 0.848 30.529 29.700 -0.032 0.000 0.947 459 E HN 0.477 nan 8.360 nan 0.000 0.440 460 L N 3.214 124.436 121.223 -0.001 0.000 2.079 460 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 460 L C 2.449 179.338 176.870 0.032 0.000 1.081 460 L CA 2.180 57.027 54.840 0.011 0.000 0.752 460 L CB -0.735 41.332 42.059 0.013 0.000 0.896 460 L HN 0.827 nan 8.230 nan 0.000 0.433 461 S N -0.934 114.785 115.700 0.032 0.000 2.469 461 S HA -0.110 4.359 4.470 -0.001 0.000 0.238 461 S C 1.784 176.427 174.600 0.071 0.000 0.998 461 S CA 0.866 59.092 58.200 0.044 0.000 0.957 461 S CB -0.214 63.006 63.200 0.032 0.000 0.764 461 S HN 0.502 nan 8.310 nan 0.000 0.514 462 R N 0.164 120.717 120.500 0.088 0.000 2.546 462 R HA 0.299 4.638 4.340 -0.001 0.000 0.320 462 R C 1.062 177.519 176.300 0.262 0.000 1.021 462 R CA -0.245 55.953 56.100 0.165 0.000 1.088 462 R CB 0.164 30.544 30.300 0.134 0.000 1.278 462 R HN 0.388 nan 8.270 nan 0.000 0.557 463 I N 0.241 120.916 120.570 0.174 0.000 2.286 463 I HA -0.135 4.034 4.170 -0.001 0.000 0.248 463 I C 2.308 178.577 176.117 0.252 0.000 1.115 463 I CA 1.579 62.986 61.300 0.177 0.000 1.392 463 I CB -1.258 36.784 38.000 0.071 0.000 1.065 463 I HN 0.236 nan 8.210 nan 0.000 0.418 464 G N 1.796 110.709 108.800 0.188 0.000 2.433 464 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.216 464 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.216 464 G C 1.462 176.475 174.900 0.189 0.000 1.186 464 G CA 0.974 46.172 45.100 0.162 0.000 0.779 464 G HN 0.611 nan 8.290 nan 0.000 0.543 465 E N -0.551 119.781 120.200 0.221 0.000 2.333 465 E HA -0.089 4.260 4.350 -0.001 0.000 0.198 465 E C 1.957 178.715 176.600 0.263 0.000 1.007 465 E CA 0.750 57.291 56.400 0.236 0.000 0.845 465 E CB -0.406 29.457 29.700 0.271 0.000 0.766 465 E HN 0.445 nan 8.360 nan 0.000 0.507 466 F N 2.037 122.099 119.950 0.186 0.000 2.074 466 F HA -0.096 4.430 4.527 -0.001 0.000 0.293 466 F C 2.349 178.131 175.800 -0.030 0.000 1.116 466 F CA 1.971 59.981 58.000 0.017 0.000 1.212 466 F CB -0.355 38.725 39.000 0.134 0.000 0.998 466 F HN 0.091 nan 8.300 nan 0.000 0.471 467 E N -0.345 119.996 120.200 0.234 0.000 2.136 467 E HA -0.290 4.059 4.350 -0.001 0.000 0.202 467 E C 2.239 178.788 176.600 -0.085 0.000 1.019 467 E CA 1.829 58.285 56.400 0.094 0.000 0.819 467 E CB -0.525 29.259 29.700 0.140 0.000 0.739 467 E HN 0.442 nan 8.360 nan 0.000 0.458 468 S N -0.618 115.055 115.700 -0.045 0.000 2.335 468 S HA -0.122 4.348 4.470 -0.001 0.000 0.216 468 S C 2.118 176.643 174.600 -0.125 0.000 1.032 468 S CA 1.352 59.520 58.200 -0.054 0.000 1.000 468 S CB -0.336 62.875 63.200 0.018 0.000 0.928 468 S HN 0.375 nan 8.310 nan 0.000 0.434 469 S N 0.997 116.619 115.700 -0.130 0.000 2.383 469 S HA -0.082 4.387 4.470 -0.001 0.000 0.229 469 S C 1.526 175.896 174.600 -0.383 0.000 1.030 469 S CA 1.211 59.350 58.200 -0.101 0.000 1.002 469 S CB -0.521 62.735 63.200 0.094 0.000 0.829 469 S HN 0.568 nan 8.310 nan 0.000 0.467 470 F N 2.368 121.627 119.950 -1.152 0.000 2.102 470 F HA -0.018 4.508 4.527 -0.001 0.000 0.298 470 F C 1.848 177.256 175.800 -0.654 0.000 1.105 470 F CA 0.924 57.997 58.000 -1.546 0.000 1.239 470 F CB -0.850 37.063 39.000 -1.810 0.000 0.991 470 F HN 0.108 nan 8.300 nan 0.000 0.474 471 L N -0.108 120.795 121.223 -0.533 0.000 1.989 471 L HA -0.275 4.064 4.340 -0.001 0.000 0.211 471 L C 2.696 179.381 176.870 -0.308 0.000 1.071 471 L CA 1.982 56.556 54.840 -0.443 0.000 0.749 471 L CB -1.011 40.884 42.059 -0.273 0.000 0.890 471 L HN 0.307 nan 8.230 nan 0.000 0.431 472 S N -1.393 114.190 115.700 -0.194 0.000 2.428 472 S HA -0.238 4.232 4.470 -0.001 0.000 0.230 472 S C 1.929 176.490 174.600 -0.066 0.000 1.014 472 S CA 0.760 58.893 58.200 -0.111 0.000 0.957 472 S CB -0.768 62.400 63.200 -0.052 0.000 0.784 472 S HN 0.485 nan 8.310 nan 0.000 0.499 473 Y N 2.646 122.853 120.300 -0.155 0.000 2.145 473 Y HA 0.023 4.572 4.550 -0.001 0.000 0.286 473 Y C 1.949 177.816 175.900 -0.056 0.000 1.145 473 Y CA 1.308 59.384 58.100 -0.041 0.000 1.148 473 Y CB -0.583 37.919 38.460 0.070 0.000 0.981 473 Y HN 0.192 nan 8.280 nan 0.000 0.507 474 L N 0.205 121.221 121.223 -0.344 0.000 2.079 474 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 474 L C 2.515 179.202 176.870 -0.305 0.000 1.081 474 L CA 1.738 56.345 54.840 -0.389 0.000 0.752 474 L CB -0.538 41.207 42.059 -0.523 0.000 0.896 474 L HN 0.201 nan 8.230 nan 0.000 0.433 475 K N -0.553 119.691 120.400 -0.260 0.000 2.026 475 K HA -0.130 4.189 4.320 -0.001 0.000 0.208 475 K C 2.339 178.828 176.600 -0.185 0.000 1.048 475 K CA 1.673 57.842 56.287 -0.196 0.000 0.929 475 K CB -0.085 32.320 32.500 -0.158 0.000 0.713 475 K HN 0.146 nan 8.250 nan 0.000 0.439 476 S N 0.808 116.395 115.700 -0.189 0.000 2.345 476 S HA -0.059 4.410 4.470 -0.001 0.000 0.220 476 S C 1.576 176.024 174.600 -0.253 0.000 1.031 476 S CA 1.186 59.282 58.200 -0.174 0.000 0.996 476 S CB -0.153 62.977 63.200 -0.116 0.000 0.882 476 S HN 0.321 nan 8.310 nan 0.000 0.445 477 N N -0.111 118.338 118.700 -0.419 0.000 2.436 477 N HA 0.041 4.780 4.740 -0.001 0.000 0.178 477 N C 0.054 175.112 175.510 -0.753 0.000 1.026 477 N CA 0.699 53.376 53.050 -0.621 0.000 0.880 477 N CB 0.077 38.041 38.487 -0.872 0.000 1.061 477 N HN 0.429 nan 8.380 nan 0.000 0.434 478 H N 0.358 119.211 119.070 -0.362 0.000 2.474 478 H HA 0.229 4.784 4.556 -0.001 0.000 0.250 478 H C 0.286 175.484 175.328 -0.216 0.000 1.307 478 H CA -0.210 55.686 56.048 -0.252 0.000 1.058 478 H CB 0.205 29.819 29.762 -0.247 0.000 1.693 478 H HN 0.168 nan 8.280 nan 0.000 0.552 479 N N 1.205 119.821 118.700 -0.140 0.000 2.188 479 N HA -0.147 4.592 4.740 -0.001 0.000 0.184 479 N C 1.452 176.907 175.510 -0.091 0.000 1.018 479 N CA 1.060 54.035 53.050 -0.124 0.000 0.858 479 N CB 0.512 38.923 38.487 -0.126 0.000 0.989 479 N HN 0.340 nan 8.380 nan 0.000 0.426 480 E N 0.383 120.538 120.200 -0.074 0.000 2.118 480 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 480 E C 1.835 178.403 176.600 -0.053 0.000 0.992 480 E CA 0.898 57.264 56.400 -0.056 0.000 0.804 480 E CB -0.459 29.216 29.700 -0.043 0.000 0.741 480 E HN 0.432 nan 8.360 nan 0.000 0.458 481 L N 0.119 121.310 121.223 -0.054 0.000 2.056 481 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 481 L C 2.418 179.239 176.870 -0.082 0.000 1.078 481 L CA 1.017 55.817 54.840 -0.066 0.000 0.749 481 L CB -0.658 41.353 42.059 -0.079 0.000 0.901 481 L HN 0.134 nan 8.230 nan 0.000 0.433 482 L N -0.476 120.689 121.223 -0.098 0.000 2.046 482 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 482 L C 2.714 179.538 176.870 -0.077 0.000 1.077 482 L CA 1.527 56.305 54.840 -0.104 0.000 0.747 482 L CB -1.106 40.875 42.059 -0.131 0.000 0.896 482 L HN 0.278 nan 8.230 nan 0.000 0.432 483 T N -1.038 113.475 114.554 -0.069 0.000 2.720 483 T HA -0.253 4.096 4.350 -0.001 0.000 0.268 483 T C 1.781 176.458 174.700 -0.039 0.000 1.037 483 T CA 1.537 63.605 62.100 -0.053 0.000 1.144 483 T CB -0.175 68.662 68.868 -0.051 0.000 0.864 483 T HN 0.354 nan 8.240 nan 0.000 0.444 484 E N 0.307 120.482 120.200 -0.040 0.000 2.107 484 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 484 E C 2.139 178.723 176.600 -0.026 0.000 0.982 484 E CA 0.548 56.930 56.400 -0.030 0.000 0.809 484 E CB -0.172 29.509 29.700 -0.032 0.000 0.756 484 E HN 0.488 nan 8.360 nan 0.000 0.459 485 I N 0.583 121.131 120.570 -0.036 0.000 2.208 485 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 485 I C 2.762 178.873 176.117 -0.011 0.000 1.097 485 I CA 1.148 62.431 61.300 -0.028 0.000 1.363 485 I CB -0.250 37.724 38.000 -0.044 0.000 1.051 485 I HN 0.061 nan 8.210 nan 0.000 0.413 486 R N 1.006 121.498 120.500 -0.014 0.000 2.090 486 R HA -0.138 4.202 4.340 -0.001 0.000 0.228 486 R C 1.867 178.181 176.300 0.023 0.000 1.110 486 R CA 1.389 57.493 56.100 0.007 0.000 0.973 486 R CB 0.033 30.327 30.300 -0.010 0.000 0.869 486 R HN 0.372 nan 8.270 nan 0.000 0.440 487 E N -0.772 119.433 120.200 0.008 0.000 2.442 487 E HA -0.034 4.316 4.350 -0.001 0.000 0.195 487 E C 1.124 177.731 176.600 0.012 0.000 1.030 487 E CA 0.611 57.019 56.400 0.013 0.000 0.869 487 E CB 0.529 30.231 29.700 0.002 0.000 0.857 487 E HN 0.228 nan 8.360 nan 0.000 0.505 488 K N -1.548 118.857 120.400 0.008 0.000 2.511 488 K HA 0.149 4.468 4.320 -0.001 0.000 0.206 488 K C 0.931 177.536 176.600 0.009 0.000 1.333 488 K CA 0.471 56.761 56.287 0.006 0.000 0.957 488 K CB 1.357 33.857 32.500 -0.000 0.000 1.172 488 K HN 0.109 nan 8.250 nan 0.000 0.547 489 G N 2.399 111.206 108.800 0.012 0.000 2.203 489 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.263 489 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.263 489 G C -0.289 174.618 174.900 0.012 0.000 1.012 489 G CA 0.897 46.006 45.100 0.016 0.000 0.749 489 G HN 0.346 nan 8.290 nan 0.000 0.512 490 E N -1.468 118.737 120.200 0.008 0.000 2.416 490 E HA 0.691 5.040 4.350 -0.001 0.000 0.273 490 E C -0.416 176.187 176.600 0.006 0.000 0.935 490 E CA -1.033 55.371 56.400 0.008 0.000 0.784 490 E CB 1.592 31.295 29.700 0.005 0.000 1.301 490 E HN 0.143 nan 8.360 nan 0.000 0.454 491 L N 1.886 123.115 121.223 0.011 0.000 2.319 491 L HA 0.381 4.720 4.340 -0.001 0.000 0.281 491 L C -0.318 176.557 176.870 0.009 0.000 1.005 491 L CA -0.693 54.151 54.840 0.006 0.000 0.828 491 L CB 1.673 43.742 42.059 0.017 0.000 1.227 491 L HN 0.457 nan 8.230 nan 0.000 0.415 492 S N 1.760 117.460 115.700 -0.000 0.000 2.600 492 S HA 0.205 4.674 4.470 -0.001 0.000 0.265 492 S C 1.021 175.625 174.600 0.007 0.000 1.325 492 S CA -0.855 57.347 58.200 0.003 0.000 1.002 492 S CB 1.371 64.569 63.200 -0.003 0.000 0.921 492 S HN 0.531 nan 8.310 nan 0.000 0.554 493 K N 1.109 121.517 120.400 0.012 0.000 2.147 493 K HA -0.136 4.183 4.320 -0.001 0.000 0.205 493 K C 1.672 178.280 176.600 0.013 0.000 1.049 493 K CA 1.397 57.696 56.287 0.019 0.000 0.936 493 K CB -0.183 32.329 32.500 0.020 0.000 0.722 493 K HN 0.561 nan 8.250 nan 0.000 0.446 494 E N 1.232 121.435 120.200 0.005 0.000 2.047 494 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 494 E C 1.962 178.554 176.600 -0.013 0.000 0.987 494 E CA 0.591 56.991 56.400 -0.000 0.000 0.799 494 E CB -0.219 29.480 29.700 -0.001 0.000 0.752 494 E HN 0.128 nan 8.360 nan 0.000 0.449 495 L N 0.225 121.436 121.223 -0.019 0.000 2.083 495 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 495 L C 2.119 178.948 176.870 -0.068 0.000 1.083 495 L CA 0.823 55.639 54.840 -0.041 0.000 0.752 495 L CB -0.100 41.938 42.059 -0.034 0.000 0.899 495 L HN 0.204 nan 8.230 nan 0.000 0.433 496 L N -1.002 120.197 121.223 -0.040 0.000 2.027 496 L HA -0.207 4.133 4.340 -0.001 0.000 0.206 496 L C 2.761 179.600 176.870 -0.052 0.000 1.074 496 L CA 1.309 56.124 54.840 -0.041 0.000 0.745 496 L CB -0.549 41.541 42.059 0.052 0.000 0.898 496 L HN 0.258 nan 8.230 nan 0.000 0.433 497 A N -1.271 121.544 122.820 -0.008 0.000 1.940 497 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 497 A C 2.479 180.048 177.584 -0.024 0.000 1.176 497 A CA 2.136 54.178 52.037 0.008 0.000 0.631 497 A CB -0.683 18.328 19.000 0.019 0.000 0.814 497 A HN 0.372 nan 8.150 nan 0.000 0.446 498 S N -0.880 114.790 115.700 -0.049 0.000 2.382 498 S HA -0.109 4.360 4.470 -0.001 0.000 0.228 498 S C 1.817 176.334 174.600 -0.139 0.000 1.027 498 S CA 1.402 59.562 58.200 -0.066 0.000 0.991 498 S CB -0.315 62.852 63.200 -0.054 0.000 0.823 498 S HN 0.427 nan 8.310 nan 0.000 0.469 499 L N 1.789 122.877 121.223 -0.226 0.000 2.072 499 L HA 0.069 4.408 4.340 -0.001 0.000 0.205 499 L C 2.182 178.821 176.870 -0.386 0.000 1.079 499 L CA 1.728 56.327 54.840 -0.402 0.000 0.752 499 L CB -0.583 41.051 42.059 -0.707 0.000 0.906 499 L HN 0.139 nan 8.230 nan 0.000 0.436 500 K N -1.294 118.967 120.400 -0.231 0.000 2.009 500 K HA -0.219 4.100 4.320 -0.001 0.000 0.210 500 K C 2.358 178.971 176.600 0.021 0.000 1.049 500 K CA 1.784 58.121 56.287 0.084 0.000 0.929 500 K CB -0.343 32.288 32.500 0.218 0.000 0.714 500 K HN 0.316 nan 8.250 nan 0.000 0.440 501 S N -0.054 115.646 115.700 -0.000 0.000 2.365 501 S HA -0.221 4.248 4.470 -0.001 0.000 0.221 501 S C 1.987 176.573 174.600 -0.024 0.000 1.037 501 S CA 1.754 59.958 58.200 0.007 0.000 1.060 501 S CB -0.466 62.740 63.200 0.010 0.000 0.974 501 S HN 0.497 nan 8.310 nan 0.000 0.427 502 A N 0.220 122.962 122.820 -0.129 0.000 1.978 502 A HA -0.073 4.246 4.320 -0.001 0.000 0.220 502 A C 2.312 179.944 177.584 0.080 0.000 1.170 502 A CA 2.284 54.174 52.037 -0.245 0.000 0.636 502 A CB -1.423 17.195 19.000 -0.637 0.000 0.810 502 A HN 0.640 nan 8.150 nan 0.000 0.448 503 T N 0.035 114.608 114.554 0.032 0.000 2.643 503 T HA -0.148 4.201 4.350 -0.001 0.000 0.264 503 T C 1.776 176.425 174.700 -0.086 0.000 1.045 503 T CA 1.669 63.712 62.100 -0.095 0.000 1.155 503 T CB -0.325 68.373 68.868 -0.283 0.000 0.863 503 T HN 0.667 nan 8.240 nan 0.000 0.420 504 E N 0.833 120.995 120.200 -0.062 0.000 2.118 504 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 504 E C 2.527 179.164 176.600 0.062 0.000 0.992 504 E CA 1.004 57.431 56.400 0.045 0.000 0.804 504 E CB -0.184 29.576 29.700 0.100 0.000 0.741 504 E HN 0.245 nan 8.360 nan 0.000 0.458 505 S N -0.075 115.674 115.700 0.081 0.000 2.359 505 S HA -0.192 4.277 4.470 -0.001 0.000 0.224 505 S C 1.612 176.239 174.600 0.045 0.000 1.035 505 S CA 1.181 59.446 58.200 0.109 0.000 1.018 505 S CB -0.263 63.064 63.200 0.212 0.000 0.876 505 S HN 0.324 nan 8.310 nan 0.000 0.448 506 F N 1.894 121.761 119.950 -0.138 0.000 2.060 506 F HA -0.081 4.445 4.527 -0.002 0.000 0.295 506 F C 2.181 177.884 175.800 -0.162 0.000 1.120 506 F CA 1.515 59.289 58.000 -0.377 0.000 1.205 506 F CB -0.802 37.903 39.000 -0.492 0.000 0.986 506 F HN -0.005 nan 8.300 nan 0.000 0.470 507 V N 1.016 120.980 119.914 0.085 0.000 2.277 507 V HA -0.441 3.678 4.120 -0.001 0.000 0.253 507 V C 2.727 178.841 176.094 0.033 0.000 1.067 507 V CA 2.222 64.615 62.300 0.155 0.000 1.047 507 V CB -1.726 30.198 31.823 0.168 0.000 0.649 507 V HN 0.552 nan 8.190 nan 0.000 0.447 508 A N -1.589 121.223 122.820 -0.014 0.000 1.933 508 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 508 A C 2.325 179.857 177.584 -0.087 0.000 1.175 508 A CA 2.314 54.332 52.037 -0.032 0.000 0.628 508 A CB -0.775 18.219 19.000 -0.010 0.000 0.814 508 A HN 0.468 nan 8.150 nan 0.000 0.444 509 T N -1.658 112.791 114.554 -0.175 0.000 3.160 509 T HA 0.335 4.684 4.350 -0.001 0.000 0.257 509 T C -0.092 174.484 174.700 -0.207 0.000 1.147 509 T CA 0.693 62.669 62.100 -0.208 0.000 1.064 509 T CB -0.669 68.040 68.868 -0.265 0.000 0.949 509 T HN 0.438 nan 8.240 nan 0.000 0.526 510 F N 0.000 119.699 119.950 -0.419 0.000 2.286 510 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 510 F CA 0.000 57.779 58.000 -0.369 0.000 1.383 510 F CB 0.000 38.570 39.000 -0.716 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574