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 3oe7_1_T DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXXDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.518 175.510 0.014 0.000 1.280 26 N CA 0.000 53.059 53.050 0.015 0.000 0.885 26 N CB 0.000 38.491 38.487 0.007 0.000 1.341 27 L N 2.252 123.482 121.223 0.012 0.000 2.851 27 L HA 0.310 4.650 4.340 0.000 0.000 0.237 27 L C 0.700 177.545 176.870 -0.042 0.000 1.257 27 L CA 0.116 54.953 54.840 -0.004 0.000 1.061 27 L CB -0.107 41.960 42.059 0.013 0.000 1.372 27 L HN 0.417 nan 8.230 nan 0.000 0.493 28 N N -0.967 117.714 118.700 -0.031 0.000 2.677 28 N HA -0.037 4.703 4.740 0.000 0.000 0.242 28 N C 1.510 176.998 175.510 -0.037 0.000 1.044 28 N CA 0.082 53.109 53.050 -0.039 0.000 0.934 28 N CB 0.342 38.812 38.487 -0.028 0.000 1.595 28 N HN 0.017 nan 8.380 nan 0.000 0.459 29 E N 0.251 120.434 120.200 -0.027 0.000 2.170 29 E HA 0.068 4.418 4.350 0.000 0.000 0.191 29 E C 0.125 176.704 176.600 -0.035 0.000 0.981 29 E CA 0.687 57.070 56.400 -0.028 0.000 0.830 29 E CB 0.125 29.813 29.700 -0.020 0.000 0.775 29 E HN 0.487 nan 8.360 nan 0.000 0.470 30 T N -3.598 110.938 114.554 -0.029 0.000 2.883 30 T HA 0.826 5.176 4.350 0.000 0.000 0.284 30 T C 0.326 175.011 174.700 -0.026 0.000 1.041 30 T CA -0.558 61.523 62.100 -0.032 0.000 1.007 30 T CB 1.834 70.693 68.868 -0.016 0.000 1.220 30 T HN 0.040 nan 8.240 nan 0.000 0.552 31 G N -0.241 108.549 108.800 -0.017 0.000 2.692 31 G HA2 0.626 4.586 3.960 0.000 0.000 0.291 31 G HA3 0.626 4.586 3.960 0.000 0.000 0.291 31 G C -1.583 173.353 174.900 0.060 0.000 1.423 31 G CA -0.977 44.133 45.100 0.016 0.000 0.843 31 G HN 0.631 nan 8.290 nan 0.000 0.486 32 R N 0.066 120.640 120.500 0.124 0.000 2.562 32 R HA 0.504 4.844 4.340 0.000 0.000 0.298 32 R C -0.507 175.887 176.300 0.157 0.000 0.961 32 R CA -0.708 55.472 56.100 0.135 0.000 0.881 32 R CB 2.028 32.410 30.300 0.136 0.000 1.159 32 R HN 0.337 nan 8.270 nan 0.000 0.450 33 V N 5.154 125.152 119.914 0.140 0.000 2.470 33 V HA 0.049 4.169 4.120 0.000 0.000 0.276 33 V C 1.798 177.955 176.094 0.104 0.000 1.040 33 V CA 0.125 62.512 62.300 0.145 0.000 1.008 33 V CB 0.946 32.862 31.823 0.155 0.000 0.990 33 V HN 0.714 nan 8.190 nan 0.000 0.477 34 L N 4.152 125.441 121.223 0.110 0.000 2.102 34 L HA 0.376 4.716 4.340 0.000 0.000 0.202 34 L C 0.968 177.865 176.870 0.044 0.000 1.076 34 L CA 1.467 56.351 54.840 0.072 0.000 0.761 34 L CB 0.171 42.289 42.059 0.097 0.000 0.921 34 L HN 0.831 nan 8.230 nan 0.000 0.444 35 A N -1.688 121.161 122.820 0.048 0.000 2.610 35 A HA 0.608 4.928 4.320 0.000 0.000 0.291 35 A C -1.800 175.793 177.584 0.015 0.000 1.086 35 A CA -0.373 51.678 52.037 0.024 0.000 0.677 35 A CB 1.727 20.737 19.000 0.016 0.000 1.278 35 A HN -0.199 nan 8.150 nan 0.000 0.414 36 V N 0.173 120.082 119.914 -0.009 0.000 2.668 36 V HA 0.889 5.009 4.120 0.000 0.000 0.304 36 V C -0.321 175.751 176.094 -0.037 0.000 1.071 36 V CA 0.816 63.095 62.300 -0.034 0.000 0.894 36 V CB 1.659 33.443 31.823 -0.065 0.000 1.008 36 V HN 2.366 nan 8.190 nan 0.000 0.425 37 G N 3.884 112.658 108.800 -0.042 0.000 2.476 37 G HA2 0.527 4.487 3.960 0.000 0.000 0.309 37 G HA3 0.527 4.487 3.960 0.000 0.000 0.309 37 G C -1.015 173.858 174.900 -0.044 0.000 1.575 37 G CA 0.066 45.143 45.100 -0.040 0.000 0.913 37 G HN 0.992 nan 8.290 nan 0.000 0.623 38 D N 0.198 120.570 120.400 -0.046 0.000 2.775 38 D HA -0.090 4.550 4.640 0.000 0.000 0.235 38 D C 1.654 177.917 176.300 -0.062 0.000 1.120 38 D CA 2.708 56.677 54.000 -0.050 0.000 0.708 38 D CB -1.260 39.511 40.800 -0.048 0.000 1.084 38 D HN 2.220 nan 8.370 nan 0.000 0.434 39 G N -1.287 107.473 108.800 -0.067 0.000 2.189 39 G HA2 -0.319 3.641 3.960 0.000 0.000 0.267 39 G HA3 -0.319 3.641 3.960 0.000 0.000 0.267 39 G C 0.233 175.079 174.900 -0.090 0.000 0.975 39 G CA 0.499 45.550 45.100 -0.081 0.000 0.644 39 G HN 0.501 nan 8.290 nan 0.000 0.537 40 I N 1.080 121.606 120.570 -0.073 0.000 2.378 40 I HA 0.690 4.860 4.170 0.000 0.000 0.291 40 I C 0.467 176.560 176.117 -0.040 0.000 0.992 40 I CA -1.198 60.069 61.300 -0.055 0.000 1.154 40 I CB 1.321 39.293 38.000 -0.046 0.000 1.315 40 I HN 0.333 nan 8.210 nan 0.000 0.448 41 A N 7.657 130.470 122.820 -0.011 0.000 2.273 41 A HA 0.652 4.972 4.320 0.000 0.000 0.315 41 A C -0.015 177.619 177.584 0.082 0.000 1.256 41 A CA -0.713 51.341 52.037 0.029 0.000 0.851 41 A CB 0.579 19.599 19.000 0.033 0.000 1.172 41 A HN 0.679 nan 8.150 nan 0.000 0.508 42 R N 1.534 122.075 120.500 0.067 0.000 2.254 42 R HA 0.536 4.876 4.340 0.000 0.000 0.318 42 R C -1.070 175.297 176.300 0.112 0.000 1.031 42 R CA -0.266 55.880 56.100 0.076 0.000 0.905 42 R CB 1.504 31.838 30.300 0.056 0.000 1.050 42 R HN 0.451 nan 8.270 nan 0.000 0.456 43 V N 4.450 124.432 119.914 0.114 0.000 2.656 43 V HA 0.313 4.433 4.120 0.000 0.000 0.307 43 V C -0.808 175.370 176.094 0.139 0.000 1.051 43 V CA -0.859 61.522 62.300 0.134 0.000 0.893 43 V CB 1.787 33.675 31.823 0.107 0.000 0.999 43 V HN 0.563 nan 8.190 nan 0.000 0.426 44 F N 4.054 124.019 119.950 0.025 0.000 2.411 44 F HA 0.757 5.284 4.527 0.000 0.000 0.350 44 F C 0.798 176.603 175.800 0.008 0.000 1.114 44 F CA 1.457 59.465 58.000 0.014 0.000 1.135 44 F CB 0.961 39.969 39.000 0.014 0.000 1.120 44 F HN 0.871 nan 8.300 nan 0.000 0.495 45 G N 4.090 112.601 108.800 -0.481 0.000 2.460 45 G HA2 -0.154 3.806 3.960 0.000 0.000 0.207 45 G HA3 -0.154 3.806 3.960 0.000 0.000 0.207 45 G C -0.084 174.702 174.900 -0.190 0.000 1.170 45 G CA -0.539 44.380 45.100 -0.302 0.000 1.151 45 G HN 1.137 nan 8.290 nan 0.000 0.575 46 L N 0.200 121.359 121.223 -0.106 0.000 3.795 46 L HA -0.184 4.156 4.340 0.000 0.000 0.489 46 L C 1.321 178.139 176.870 -0.086 0.000 1.259 46 L CA 0.513 55.303 54.840 -0.083 0.000 0.765 46 L CB -1.005 41.010 42.059 -0.074 0.000 1.519 46 L HN 0.604 nan 8.230 nan 0.000 0.842 47 N N -0.114 118.533 118.700 -0.088 0.000 2.446 47 N HA -0.013 4.727 4.740 0.000 0.000 0.179 47 N C 1.296 176.773 175.510 -0.054 0.000 1.054 47 N CA 0.578 53.579 53.050 -0.080 0.000 0.905 47 N CB 0.096 38.532 38.487 -0.086 0.000 0.973 47 N HN 0.535 nan 8.380 nan 0.000 0.448 48 N N 0.748 119.421 118.700 -0.045 0.000 2.353 48 N HA 0.086 4.826 4.740 0.000 0.000 0.185 48 N C 0.465 175.958 175.510 -0.029 0.000 1.098 48 N CA -0.101 52.930 53.050 -0.033 0.000 0.872 48 N CB 0.907 39.377 38.487 -0.028 0.000 0.970 48 N HN 0.276 nan 8.380 nan 0.000 0.467 49 I N 1.544 122.094 120.570 -0.034 0.000 2.696 49 I HA -0.066 4.104 4.170 0.000 0.000 0.284 49 I C 0.207 176.313 176.117 -0.019 0.000 1.129 49 I CA -0.215 61.069 61.300 -0.028 0.000 1.410 49 I CB 0.702 38.682 38.000 -0.034 0.000 1.399 49 I HN 0.026 nan 8.210 nan 0.000 0.579 50 Q N 5.094 124.887 119.800 -0.010 0.000 2.260 50 Q HA 0.506 4.846 4.340 0.000 0.000 0.242 50 Q C -0.232 175.770 176.000 0.004 0.000 0.932 50 Q CA -0.860 54.941 55.803 -0.003 0.000 0.891 50 Q CB 1.189 29.927 28.738 0.001 0.000 1.222 50 Q HN 0.759 nan 8.270 nan 0.000 0.453 51 A N 1.877 124.701 122.820 0.007 0.000 2.488 51 A HA 0.106 4.426 4.320 0.000 0.000 0.249 51 A C -0.007 177.593 177.584 0.026 0.000 1.083 51 A CA 0.062 52.108 52.037 0.015 0.000 0.768 51 A CB -0.199 18.810 19.000 0.014 0.000 1.017 51 A HN 0.948 nan 8.150 nan 0.000 0.496 52 E N -0.401 119.823 120.200 0.039 0.000 2.957 52 E HA -0.185 4.165 4.350 0.000 0.000 0.287 52 E C 0.063 176.702 176.600 0.067 0.000 0.976 52 E CA 1.142 57.580 56.400 0.062 0.000 0.907 52 E CB -1.353 28.380 29.700 0.055 0.000 1.456 52 E HN 0.892 nan 8.360 nan 0.000 0.421 53 E N 0.742 120.973 120.200 0.051 0.000 2.313 53 E HA 0.350 4.700 4.350 0.000 0.000 0.272 53 E C -0.358 176.283 176.600 0.068 0.000 1.038 53 E CA -0.667 55.759 56.400 0.044 0.000 0.863 53 E CB 0.843 30.554 29.700 0.018 0.000 1.060 53 E HN 0.066 nan 8.360 nan 0.000 0.402 54 L N 4.295 125.558 121.223 0.066 0.000 2.426 54 L HA 0.149 4.489 4.340 0.000 0.000 0.271 54 L C -0.577 176.316 176.870 0.039 0.000 1.169 54 L CA 0.169 55.062 54.840 0.088 0.000 0.836 54 L CB 1.140 43.232 42.059 0.054 0.000 1.112 54 L HN 0.373 nan 8.230 nan 0.000 0.465 55 V N 0.945 120.883 119.914 0.041 0.000 3.001 55 V HA 0.686 4.806 4.120 0.000 0.000 0.314 55 V C -0.785 175.256 176.094 -0.087 0.000 1.099 55 V CA -0.868 61.380 62.300 -0.086 0.000 0.989 55 V CB 1.847 33.534 31.823 -0.227 0.000 1.040 55 V HN 0.797 nan 8.190 nan 0.000 0.434 56 E N 1.173 121.268 120.200 -0.176 0.000 2.216 56 E HA 0.565 4.915 4.350 0.000 0.000 0.260 56 E C -1.748 174.753 176.600 -0.166 0.000 0.880 56 E CA -0.611 55.745 56.400 -0.073 0.000 0.765 56 E CB 1.541 31.235 29.700 -0.010 0.000 1.174 56 E HN 0.635 nan 8.360 nan 0.000 0.417 57 F N 1.663 121.641 119.950 0.047 0.000 2.375 57 F HA 0.154 4.681 4.527 0.000 0.000 0.333 57 F C 1.823 177.643 175.800 0.033 0.000 1.104 57 F CA -0.266 57.758 58.000 0.039 0.000 1.149 57 F CB 1.431 40.454 39.000 0.039 0.000 1.190 57 F HN 0.452 nan 8.300 nan 0.000 0.533 58 S N 0.260 116.081 115.700 0.203 0.000 2.440 58 S HA -0.187 4.283 4.470 0.000 0.000 0.240 58 S C 1.898 176.564 174.600 0.109 0.000 1.014 58 S CA 1.530 59.801 58.200 0.119 0.000 0.980 58 S CB -0.458 62.798 63.200 0.094 0.000 0.775 58 S HN 0.716 nan 8.310 nan 0.000 0.499 59 S N -0.256 115.525 115.700 0.135 0.000 2.603 59 S HA 0.394 4.864 4.470 0.000 0.000 0.220 59 S C 1.547 176.201 174.600 0.090 0.000 0.967 59 S CA 0.611 58.866 58.200 0.091 0.000 0.920 59 S CB 0.104 63.344 63.200 0.066 0.000 0.773 59 S HN 0.686 nan 8.310 nan 0.000 0.529 60 G N 0.371 109.240 108.800 0.115 0.000 2.284 60 G HA2 -0.269 3.691 3.960 0.000 0.000 0.230 60 G HA3 -0.269 3.691 3.960 0.000 0.000 0.230 60 G C 0.170 175.147 174.900 0.128 0.000 1.021 60 G CA -0.067 45.092 45.100 0.099 0.000 0.619 60 G HN 0.848 nan 8.290 nan 0.000 0.510 61 V N 2.038 122.045 119.914 0.156 0.000 2.715 61 V HA 0.565 4.685 4.120 0.000 0.000 0.299 61 V C 0.757 177.049 176.094 0.331 0.000 1.054 61 V CA 0.330 62.739 62.300 0.182 0.000 1.077 61 V CB 1.130 33.014 31.823 0.102 0.000 0.972 61 V HN 0.408 nan 8.190 nan 0.000 0.484 62 K N 3.648 124.239 120.400 0.320 0.000 2.240 62 K HA 0.824 5.144 4.320 0.000 0.000 0.237 62 K C 0.121 177.058 176.600 0.561 0.000 1.027 62 K CA 0.019 56.540 56.287 0.389 0.000 0.937 62 K CB 1.678 34.326 32.500 0.247 0.000 1.171 62 K HN 0.909 nan 8.250 nan 0.000 0.479 63 G N -0.121 109.012 108.800 0.554 0.000 2.815 63 G HA2 0.582 4.542 3.960 0.000 0.000 0.305 63 G HA3 0.582 4.542 3.960 0.000 0.000 0.305 63 G C -1.852 173.280 174.900 0.386 0.000 1.277 63 G CA -0.645 44.736 45.100 0.467 0.000 0.795 63 G HN 0.462 nan 8.290 nan 0.000 0.528 64 M N 0.546 120.238 119.600 0.154 0.000 2.255 64 M HA 0.595 5.075 4.480 0.000 0.000 0.275 64 M C -0.713 175.628 176.300 0.069 0.000 1.050 64 M CA -0.763 54.628 55.300 0.151 0.000 0.978 64 M CB 1.867 34.572 32.600 0.174 0.000 1.761 64 M HN 0.889 nan 8.290 nan 0.000 0.479 65 A N 4.544 127.400 122.820 0.061 0.000 2.770 65 A HA 0.242 4.562 4.320 0.000 0.000 0.292 65 A C 0.501 178.103 177.584 0.030 0.000 1.604 65 A CA -0.220 51.837 52.037 0.032 0.000 1.271 65 A CB -0.440 18.568 19.000 0.014 0.000 1.075 65 A HN 0.935 nan 8.150 nan 0.000 0.573 66 L N 2.642 123.877 121.223 0.020 0.000 1.993 66 L HA 0.060 4.400 4.340 0.000 0.000 0.206 66 L C 0.792 177.669 176.870 0.011 0.000 1.074 66 L CA 1.990 56.839 54.840 0.015 0.000 0.746 66 L CB -0.391 41.661 42.059 -0.010 0.000 0.896 66 L HN 0.790 nan 8.230 nan 0.000 0.435 67 N N -0.385 118.317 118.700 0.003 0.000 2.362 67 N HA 0.488 5.228 4.740 0.000 0.000 0.298 67 N C -1.532 173.977 175.510 -0.001 0.000 1.048 67 N CA -0.503 52.548 53.050 0.002 0.000 0.858 67 N CB 0.912 39.398 38.487 -0.001 0.000 1.218 67 N HN 0.155 nan 8.380 nan 0.000 0.488 68 L N 0.749 121.969 121.223 -0.004 0.000 2.280 68 L HA 0.502 4.842 4.340 0.000 0.000 0.287 68 L C -0.159 176.703 176.870 -0.015 0.000 1.023 68 L CA -0.677 54.155 54.840 -0.013 0.000 0.819 68 L CB 0.828 42.877 42.059 -0.015 0.000 1.212 68 L HN 0.562 nan 8.230 nan 0.000 0.420 69 E N 3.799 123.988 120.200 -0.018 0.000 2.263 69 E HA 0.463 4.813 4.350 0.000 0.000 0.264 69 E C -2.475 174.108 176.600 -0.028 0.000 0.923 69 E CA -2.071 54.320 56.400 -0.016 0.000 0.802 69 E CB 1.438 31.135 29.700 -0.006 0.000 1.228 69 E HN 0.357 nan 8.360 nan 0.000 0.417 70 P HA 0.055 nan 4.420 nan 0.000 0.270 70 P C 0.450 177.734 177.300 -0.026 0.000 1.242 70 P CA 0.578 63.661 63.100 -0.029 0.000 0.768 70 P CB 0.782 32.474 31.700 -0.014 0.000 0.820 71 G N 3.202 111.960 108.800 -0.070 0.000 2.493 71 G HA2 -0.152 3.808 3.960 0.000 0.000 0.206 71 G HA3 -0.152 3.808 3.960 0.000 0.000 0.206 71 G C -0.133 174.687 174.900 -0.134 0.000 1.109 71 G CA 0.232 45.291 45.100 -0.067 0.000 0.689 71 G HN 0.792 nan 8.290 nan 0.000 0.516 72 Q N -0.661 119.109 119.800 -0.050 0.000 2.544 72 Q HA 0.783 5.123 4.340 0.000 0.000 0.291 72 Q C -1.528 174.458 176.000 -0.023 0.000 1.068 72 Q CA -1.098 54.695 55.803 -0.017 0.000 0.785 72 Q CB 2.842 31.628 28.738 0.079 0.000 1.481 72 Q HN 0.546 nan 8.270 nan 0.000 0.430 73 V N 0.713 120.624 119.914 -0.003 0.000 2.483 73 V HA 0.584 4.704 4.120 0.000 0.000 0.297 73 V C 0.020 176.129 176.094 0.026 0.000 1.027 73 V CA -0.436 61.863 62.300 -0.000 0.000 0.855 73 V CB 1.674 33.487 31.823 -0.015 0.000 0.995 73 V HN 0.877 nan 8.190 nan 0.000 0.424 74 G N 5.457 114.268 108.800 0.018 0.000 2.365 74 G HA2 0.582 4.542 3.960 0.000 0.000 0.293 74 G HA3 0.582 4.542 3.960 0.000 0.000 0.293 74 G C -0.551 174.364 174.900 0.026 0.000 1.128 74 G CA -0.128 44.984 45.100 0.021 0.000 0.971 74 G HN 0.603 nan 8.290 nan 0.000 0.422 75 I N 2.321 122.924 120.570 0.055 0.000 2.441 75 I HA 0.214 4.384 4.170 0.000 0.000 0.295 75 I C -0.146 175.988 176.117 0.029 0.000 0.994 75 I CA -0.948 60.398 61.300 0.076 0.000 1.144 75 I CB 2.361 40.475 38.000 0.189 0.000 1.314 75 I HN 0.075 nan 8.210 nan 0.000 0.445 76 V N 7.054 126.942 119.914 -0.043 0.000 2.432 76 V HA 0.299 4.419 4.120 0.000 0.000 0.275 76 V C 0.204 176.165 176.094 -0.222 0.000 1.043 76 V CA -0.597 61.611 62.300 -0.153 0.000 0.925 76 V CB 1.157 32.843 31.823 -0.228 0.000 0.985 76 V HN 0.446 nan 8.190 nan 0.000 0.466 77 L N 4.539 125.649 121.223 -0.188 0.000 2.349 77 L HA 0.368 4.708 4.340 0.000 0.000 0.275 77 L C 0.199 176.951 176.870 -0.196 0.000 1.115 77 L CA -0.106 54.649 54.840 -0.143 0.000 0.820 77 L CB 0.420 42.388 42.059 -0.152 0.000 1.135 77 L HN 0.516 nan 8.230 nan 0.000 0.445 78 F N 1.544 121.548 119.950 0.090 0.000 2.713 78 F HA 0.399 4.926 4.527 0.000 0.000 0.294 78 F C 1.044 176.879 175.800 0.058 0.000 1.152 78 F CA -0.247 57.806 58.000 0.088 0.000 1.385 78 F CB 0.223 39.287 39.000 0.105 0.000 0.981 78 F HN 0.532 nan 8.300 nan 0.000 0.514 79 G N -1.341 107.546 108.800 0.145 0.000 2.650 79 G HA2 0.310 4.270 3.960 0.000 0.000 0.310 79 G HA3 0.310 4.270 3.960 0.000 0.000 0.310 79 G C -1.144 173.769 174.900 0.022 0.000 1.270 79 G CA -0.678 44.475 45.100 0.088 0.000 0.810 79 G HN -0.108 nan 8.290 nan 0.000 0.493 80 S N -0.605 115.100 115.700 0.008 0.000 2.572 80 S HA 0.241 4.711 4.470 0.000 0.000 0.279 80 S C 0.978 175.546 174.600 -0.054 0.000 1.341 80 S CA 0.093 58.284 58.200 -0.016 0.000 1.043 80 S CB 0.621 63.817 63.200 -0.007 0.000 0.887 80 S HN 0.396 nan 8.310 nan 0.000 0.516 81 D N 2.811 123.175 120.400 -0.060 0.000 2.178 81 D HA -0.108 4.532 4.640 0.000 0.000 0.201 81 D C 1.911 178.161 176.300 -0.083 0.000 0.980 81 D CA 0.946 54.895 54.000 -0.086 0.000 0.842 81 D CB -0.204 40.556 40.800 -0.066 0.000 0.948 81 D HN 0.631 nan 8.370 nan 0.000 0.472 82 R N 0.580 121.047 120.500 -0.055 0.000 2.103 82 R HA -0.123 4.217 4.340 0.000 0.000 0.242 82 R C 2.040 178.310 176.300 -0.049 0.000 1.142 82 R CA 1.055 57.130 56.100 -0.042 0.000 0.960 82 R CB -0.369 29.917 30.300 -0.024 0.000 0.858 82 R HN 0.202 nan 8.270 nan 0.000 0.439 83 L N 0.511 121.700 121.223 -0.057 0.000 2.362 83 L HA 0.002 4.342 4.340 0.000 0.000 0.219 83 L C 0.168 176.987 176.870 -0.085 0.000 1.134 83 L CA 0.181 54.990 54.840 -0.051 0.000 0.807 83 L CB 0.190 42.229 42.059 -0.033 0.000 0.927 83 L HN -0.012 nan 8.230 nan 0.000 0.447 84 V N 0.747 120.569 119.914 -0.153 0.000 2.370 84 V HA 0.263 4.383 4.120 0.000 0.000 0.283 84 V C 0.062 176.094 176.094 -0.103 0.000 1.023 84 V CA -0.722 61.458 62.300 -0.201 0.000 0.857 84 V CB 1.504 33.031 31.823 -0.494 0.000 0.985 84 V HN 0.116 nan 8.190 nan 0.000 0.443 85 K N 2.694 123.071 120.400 -0.039 0.000 2.238 85 K HA 0.509 4.829 4.320 0.000 0.000 0.239 85 K C -0.229 176.381 176.600 0.017 0.000 0.987 85 K CA -0.859 55.422 56.287 -0.011 0.000 0.857 85 K CB 2.255 34.757 32.500 0.003 0.000 1.154 85 K HN 0.703 nan 8.250 nan 0.000 0.439 86 E N 0.001 120.210 120.200 0.016 0.000 2.392 86 E HA 0.068 4.418 4.350 0.000 0.000 0.264 86 E C 0.348 176.972 176.600 0.039 0.000 1.024 86 E CA 0.653 57.071 56.400 0.029 0.000 0.903 86 E CB 0.306 30.015 29.700 0.015 0.000 0.963 86 E HN 0.760 nan 8.360 nan 0.000 0.432 87 G N 3.245 112.077 108.800 0.054 0.000 2.147 87 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 87 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 87 G C 0.020 174.958 174.900 0.064 0.000 1.005 87 G CA 0.452 45.583 45.100 0.050 0.000 0.713 87 G HN 0.597 nan 8.290 nan 0.000 0.515 88 E N -1.137 119.118 120.200 0.092 0.000 2.312 88 E HA 0.580 4.930 4.350 0.000 0.000 0.259 88 E C 0.217 176.883 176.600 0.110 0.000 1.122 88 E CA -1.004 55.459 56.400 0.105 0.000 0.922 88 E CB 1.240 31.023 29.700 0.139 0.000 1.109 88 E HN 0.199 nan 8.360 nan 0.000 0.442 89 L N 1.664 122.940 121.223 0.088 0.000 2.349 89 L HA 0.161 4.501 4.340 0.000 0.000 0.275 89 L C -1.065 175.817 176.870 0.021 0.000 1.115 89 L CA -0.089 54.781 54.840 0.051 0.000 0.820 89 L CB 1.049 43.129 42.059 0.036 0.000 1.135 89 L HN 0.179 nan 8.230 nan 0.000 0.445 90 V N 4.964 124.847 119.914 -0.052 0.000 2.327 90 V HA 0.367 4.487 4.120 0.000 0.000 0.272 90 V C -0.089 175.901 176.094 -0.172 0.000 1.019 90 V CA -0.896 61.275 62.300 -0.216 0.000 0.814 90 V CB 0.596 32.225 31.823 -0.324 0.000 1.040 90 V HN 0.673 nan 8.190 nan 0.000 0.440 91 K N 3.483 123.798 120.400 -0.142 0.000 2.249 91 K HA 0.491 4.811 4.320 0.000 0.000 0.280 91 K C 0.428 176.966 176.600 -0.103 0.000 1.033 91 K CA -0.531 55.701 56.287 -0.092 0.000 0.946 91 K CB 1.413 33.882 32.500 -0.052 0.000 1.005 91 K HN 0.536 nan 8.250 nan 0.000 0.469 92 R N 0.431 120.887 120.500 -0.074 0.000 2.801 92 R HA 0.014 4.354 4.340 0.000 0.000 0.273 92 R C 0.816 177.092 176.300 -0.040 0.000 1.080 92 R CA 0.302 56.367 56.100 -0.059 0.000 1.197 92 R CB 0.459 30.734 30.300 -0.043 0.000 1.109 92 R HN 0.660 nan 8.270 nan 0.000 0.535 93 T N -0.881 113.657 114.554 -0.027 0.000 3.018 93 T HA 0.146 4.496 4.350 0.000 0.000 0.246 93 T C 1.107 175.799 174.700 -0.013 0.000 1.026 93 T CA 0.461 62.551 62.100 -0.016 0.000 1.081 93 T CB 0.543 69.406 68.868 -0.007 0.000 0.970 93 T HN 0.878 nan 8.240 nan 0.000 0.475 94 G N 2.402 111.195 108.800 -0.012 0.000 2.179 94 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 94 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 94 G C -0.180 174.717 174.900 -0.005 0.000 0.977 94 G CA -0.217 44.877 45.100 -0.010 0.000 0.641 94 G HN 0.491 nan 8.290 nan 0.000 0.533 95 N N 0.395 119.094 118.700 -0.003 0.000 2.346 95 N HA 0.475 5.215 4.740 0.000 0.000 0.289 95 N C 0.159 175.673 175.510 0.007 0.000 1.027 95 N CA -0.697 52.352 53.050 -0.000 0.000 0.864 95 N CB 1.507 39.991 38.487 -0.004 0.000 1.370 95 N HN 0.033 nan 8.380 nan 0.000 0.481 96 I N 1.418 121.993 120.570 0.009 0.000 2.752 96 I HA -0.024 4.146 4.170 0.000 0.000 0.287 96 I C 0.919 177.045 176.117 0.015 0.000 1.188 96 I CA -0.215 61.095 61.300 0.017 0.000 1.427 96 I CB 0.145 38.153 38.000 0.012 0.000 1.365 96 I HN 0.205 nan 8.210 nan 0.000 0.585 97 V N 6.877 126.809 119.914 0.031 0.000 2.699 97 V HA -0.132 3.988 4.120 0.000 0.000 0.296 97 V C 0.288 176.374 176.094 -0.013 0.000 1.030 97 V CA 0.532 62.842 62.300 0.017 0.000 1.219 97 V CB -1.121 30.739 31.823 0.062 0.000 0.848 97 V HN 0.891 nan 8.190 nan 0.000 0.468 98 D N 4.045 124.427 120.400 -0.031 0.000 2.579 98 D HA 0.729 5.369 4.640 0.000 0.000 0.257 98 D C -0.654 175.620 176.300 -0.044 0.000 1.176 98 D CA -0.620 53.363 54.000 -0.028 0.000 0.914 98 D CB 2.260 43.050 40.800 -0.017 0.000 1.431 98 D HN 0.451 nan 8.370 nan 0.000 0.454 99 V N -4.617 115.277 119.914 -0.034 0.000 3.007 99 V HA 0.699 4.819 4.120 0.000 0.000 0.311 99 V C -2.960 173.107 176.094 -0.046 0.000 1.120 99 V CA -2.446 59.829 62.300 -0.042 0.000 0.980 99 V CB 1.704 33.508 31.823 -0.033 0.000 1.033 99 V HN 0.382 nan 8.190 nan 0.000 0.429 100 P HA 0.330 nan 4.420 nan 0.000 0.266 100 P C -0.420 176.812 177.300 -0.113 0.000 1.215 100 P CA 0.171 63.221 63.100 -0.083 0.000 0.763 100 P CB 0.778 32.430 31.700 -0.080 0.000 0.806 101 V N 1.222 121.037 119.914 -0.164 0.000 2.864 101 V HA 1.034 5.154 4.120 0.000 0.000 0.314 101 V C 0.184 175.939 176.094 -0.566 0.000 1.073 101 V CA -0.310 61.838 62.300 -0.254 0.000 0.956 101 V CB 1.448 33.194 31.823 -0.127 0.000 1.023 101 V HN 0.879 nan 8.190 nan 0.000 0.435 102 G N 2.982 111.256 108.800 -0.877 0.000 2.353 102 G HA2 0.191 4.151 3.960 0.000 0.000 0.424 102 G HA3 0.191 4.151 3.960 0.000 0.000 0.424 102 G C -2.714 171.556 174.900 -1.051 0.000 1.320 102 G CA -0.005 44.156 45.100 -1.564 0.000 0.995 102 G HN 0.672 nan 8.290 nan 0.000 0.580 103 P HA 0.110 nan 4.420 nan 0.000 0.236 103 P C 1.612 178.799 177.300 -0.187 0.000 1.177 103 P CA 1.455 64.300 63.100 -0.425 0.000 0.773 103 P CB 0.056 31.588 31.700 -0.279 0.000 0.878 104 G N -0.060 108.592 108.800 -0.247 0.000 2.848 104 G HA2 -0.073 3.887 3.960 0.000 0.000 0.208 104 G HA3 -0.073 3.887 3.960 0.000 0.000 0.208 104 G C 1.118 175.966 174.900 -0.087 0.000 1.152 104 G CA 0.105 45.125 45.100 -0.133 0.000 0.789 104 G HN 0.182 nan 8.290 nan 0.000 0.531 105 L N -0.043 121.125 121.223 -0.092 0.000 2.558 105 L HA 0.325 4.665 4.340 0.000 0.000 0.225 105 L C 0.694 177.590 176.870 0.042 0.000 1.128 105 L CA -0.079 54.743 54.840 -0.030 0.000 0.868 105 L CB -0.209 41.825 42.059 -0.041 0.000 1.006 105 L HN 0.012 nan 8.230 nan 0.000 0.454 106 L N 0.756 122.028 121.223 0.083 0.000 2.559 106 L HA 0.245 4.585 4.340 0.000 0.000 0.274 106 L C 1.466 178.378 176.870 0.071 0.000 1.205 106 L CA 1.108 56.029 54.840 0.135 0.000 0.907 106 L CB -0.348 41.834 42.059 0.204 0.000 1.153 106 L HN 0.381 nan 8.230 nan 0.000 0.490 107 G N 2.090 110.919 108.800 0.049 0.000 2.148 107 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 107 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 107 G C 0.444 175.348 174.900 0.006 0.000 0.981 107 G CA -0.155 44.950 45.100 0.008 0.000 0.670 107 G HN 0.444 nan 8.290 nan 0.000 0.528 108 R N -0.682 119.828 120.500 0.018 0.000 2.732 108 R HA 0.716 5.056 4.340 0.000 0.000 0.278 108 R C -0.392 175.920 176.300 0.019 0.000 0.976 108 R CA -0.822 55.285 56.100 0.012 0.000 0.963 108 R CB 1.913 32.217 30.300 0.006 0.000 1.150 108 R HN 0.213 nan 8.270 nan 0.000 0.478 109 V N 2.552 122.476 119.914 0.016 0.000 2.409 109 V HA 0.420 4.540 4.120 0.000 0.000 0.291 109 V C 0.160 176.265 176.094 0.018 0.000 1.020 109 V CA -0.763 61.551 62.300 0.024 0.000 0.848 109 V CB 1.536 33.375 31.823 0.026 0.000 0.990 109 V HN 0.607 nan 8.190 nan 0.000 0.430 110 V N 1.198 121.124 119.914 0.020 0.000 3.113 110 V HA 0.821 4.941 4.120 0.000 0.000 0.316 110 V C -0.304 175.797 176.094 0.012 0.000 1.125 110 V CA -0.819 61.486 62.300 0.009 0.000 1.026 110 V CB 2.112 33.935 31.823 -0.000 0.000 1.080 110 V HN 0.774 nan 8.190 nan 0.000 0.444 111 D N 1.638 122.039 120.400 0.003 0.000 2.469 111 D HA 0.462 5.102 4.640 0.000 0.000 0.278 111 D C 1.142 177.436 176.300 -0.010 0.000 1.231 111 D CA 0.065 54.067 54.000 0.003 0.000 1.075 111 D CB 1.003 41.806 40.800 0.004 0.000 1.121 111 D HN 0.834 nan 8.370 nan 0.000 0.571 112 A N -1.013 121.799 122.820 -0.014 0.000 2.168 112 A HA 0.053 4.373 4.320 0.000 0.000 0.215 112 A C 2.076 179.603 177.584 -0.094 0.000 1.152 112 A CA 0.663 52.681 52.037 -0.032 0.000 0.716 112 A CB -0.696 18.304 19.000 -0.001 0.000 0.794 112 A HN 0.475 nan 8.150 nan 0.000 0.465 113 L N -1.948 119.206 121.223 -0.115 0.000 2.693 113 L HA 0.318 4.658 4.340 0.000 0.000 0.235 113 L C 1.444 178.260 176.870 -0.092 0.000 1.127 113 L CA 0.556 55.303 54.840 -0.155 0.000 0.914 113 L CB 0.411 42.342 42.059 -0.213 0.000 1.193 113 L HN 0.476 nan 8.230 nan 0.000 0.502 114 G N 0.050 108.815 108.800 -0.059 0.000 2.132 114 G HA2 -0.242 3.718 3.960 0.000 0.000 0.234 114 G HA3 -0.242 3.718 3.960 0.000 0.000 0.234 114 G C -0.059 174.820 174.900 -0.036 0.000 0.989 114 G CA -0.421 44.654 45.100 -0.043 0.000 0.676 114 G HN 0.340 nan 8.290 nan 0.000 0.522 115 N N 2.323 121.003 118.700 -0.032 0.000 2.411 115 N HA 0.319 5.059 4.740 0.000 0.000 0.259 115 N C -2.513 172.991 175.510 -0.011 0.000 1.103 115 N CA -0.902 52.136 53.050 -0.021 0.000 0.954 115 N CB 1.495 39.972 38.487 -0.016 0.000 1.085 115 N HN 0.203 nan 8.380 nan 0.000 0.485 116 P HA 0.031 nan 4.420 nan 0.000 0.263 116 P C 0.636 177.937 177.300 0.001 0.000 1.195 116 P CA 0.124 63.221 63.100 -0.005 0.000 0.762 116 P CB 0.391 32.086 31.700 -0.008 0.000 0.799 117 I N 0.126 120.700 120.570 0.006 0.000 4.154 117 I HA 0.168 4.338 4.170 0.000 0.000 0.334 117 I C 0.703 176.826 176.117 0.011 0.000 1.371 117 I CA -0.131 61.176 61.300 0.011 0.000 1.110 117 I CB -0.071 37.938 38.000 0.017 0.000 1.085 117 I HN 0.040 nan 8.210 nan 0.000 0.398 118 D N 1.507 121.912 120.400 0.008 0.000 2.340 118 D HA 0.082 4.722 4.640 0.000 0.000 0.220 118 D C 1.577 177.879 176.300 0.003 0.000 1.039 118 D CA 0.479 54.483 54.000 0.006 0.000 0.866 118 D CB -0.200 40.603 40.800 0.005 0.000 0.913 118 D HN 0.413 nan 8.370 nan 0.000 0.523 119 G N 0.931 109.733 108.800 0.003 0.000 2.323 119 G HA2 -0.354 3.606 3.960 0.000 0.000 0.292 119 G HA3 -0.354 3.606 3.960 0.000 0.000 0.292 119 G C 0.689 175.589 174.900 -0.001 0.000 1.040 119 G CA 0.545 45.645 45.100 0.002 0.000 0.942 119 G HN 0.469 nan 8.290 nan 0.000 0.506 120 K N -0.869 119.529 120.400 -0.002 0.000 2.438 120 K HA 0.463 4.783 4.320 0.000 0.000 0.206 120 K C 1.261 177.858 176.600 -0.005 0.000 1.081 120 K CA 0.499 56.783 56.287 -0.004 0.000 1.053 120 K CB 0.862 33.360 32.500 -0.004 0.000 0.908 120 K HN 1.426 nan 8.250 nan 0.000 0.556 121 G N 1.808 110.604 108.800 -0.006 0.000 2.331 121 G HA2 -0.119 3.841 3.960 0.000 0.000 0.479 121 G HA3 -0.119 3.841 3.960 0.000 0.000 0.479 121 G C -2.970 171.923 174.900 -0.011 0.000 1.262 121 G CA -1.228 43.867 45.100 -0.008 0.000 1.029 121 G HN -0.094 nan 8.290 nan 0.000 0.487 122 P HA 0.541 nan 4.420 nan 0.000 0.274 122 P C -0.046 177.239 177.300 -0.025 0.000 1.237 122 P CA -0.605 62.484 63.100 -0.019 0.000 0.793 122 P CB 0.501 32.189 31.700 -0.019 0.000 0.977 123 I N 1.887 122.438 120.570 -0.032 0.000 2.371 123 I HA 0.056 4.226 4.170 0.000 0.000 0.290 123 I C 0.549 176.631 176.117 -0.058 0.000 1.028 123 I CA -0.292 60.981 61.300 -0.045 0.000 1.345 123 I CB 0.093 38.064 38.000 -0.049 0.000 1.407 123 I HN 0.384 nan 8.210 nan 0.000 0.501 124 D N 6.346 126.705 120.400 -0.067 0.000 2.416 124 D HA 0.326 4.966 4.640 0.000 0.000 0.240 124 D C -0.041 176.182 176.300 -0.127 0.000 1.250 124 D CA -0.089 53.862 54.000 -0.083 0.000 0.967 124 D CB 0.371 41.127 40.800 -0.073 0.000 1.059 124 D HN 0.592 nan 8.370 nan 0.000 0.512 125 A N 3.150 125.897 122.820 -0.122 0.000 2.260 125 A HA 0.588 4.908 4.320 0.000 0.000 0.308 125 A C 1.027 178.508 177.584 -0.173 0.000 1.254 125 A CA -0.266 51.675 52.037 -0.160 0.000 0.874 125 A CB 1.153 20.082 19.000 -0.118 0.000 1.153 125 A HN 0.622 nan 8.150 nan 0.000 0.527 126 A N 2.261 124.918 122.820 -0.271 0.000 2.238 126 A HA 0.518 4.838 4.320 0.000 0.000 0.208 126 A C 1.128 178.632 177.584 -0.133 0.000 1.177 126 A CA 1.209 53.105 52.037 -0.235 0.000 0.804 126 A CB -0.444 18.308 19.000 -0.413 0.000 0.823 126 A HN 2.169 nan 8.150 nan 0.000 0.482 127 G N -1.279 107.441 108.800 -0.134 0.000 2.323 127 G HA2 0.483 4.443 3.960 0.000 0.000 0.291 127 G HA3 0.483 4.443 3.960 0.000 0.000 0.291 127 G C -1.449 173.414 174.900 -0.061 0.000 1.278 127 G CA -1.019 44.047 45.100 -0.057 0.000 0.860 127 G HN 0.216 nan 8.290 nan 0.000 0.504 128 R N -0.116 120.370 120.500 -0.024 0.000 2.522 128 R HA 0.635 4.975 4.340 0.000 0.000 0.283 128 R C -0.817 175.484 176.300 0.003 0.000 1.074 128 R CA -0.433 55.654 56.100 -0.021 0.000 0.925 128 R CB 2.079 32.364 30.300 -0.025 0.000 1.205 128 R HN 0.954 nan 8.270 nan 0.000 0.436 129 S N 1.937 117.642 115.700 0.008 0.000 2.570 129 S HA 0.592 5.062 4.470 0.000 0.000 0.286 129 S C -0.328 174.279 174.600 0.012 0.000 1.099 129 S CA -1.216 56.997 58.200 0.020 0.000 0.913 129 S CB 2.065 65.291 63.200 0.043 0.000 1.085 129 S HN 0.475 nan 8.310 nan 0.000 0.480 130 R N 0.512 121.019 120.500 0.011 0.000 2.694 130 R HA 0.529 4.869 4.340 0.000 0.000 0.268 130 R C 1.476 177.780 176.300 0.007 0.000 1.061 130 R CA 0.236 56.338 56.100 0.004 0.000 1.133 130 R CB 0.133 30.434 30.300 0.002 0.000 1.020 130 R HN 0.851 nan 8.270 nan 0.000 0.475 131 A N 1.914 124.730 122.820 -0.006 0.000 1.897 131 A HA -0.100 4.220 4.320 0.000 0.000 0.215 131 A C 0.855 178.420 177.584 -0.031 0.000 1.181 131 A CA 1.043 53.079 52.037 -0.002 0.000 0.620 131 A CB 0.021 19.006 19.000 -0.025 0.000 0.821 131 A HN 0.536 nan 8.150 nan 0.000 0.443 132 Q N 0.741 120.489 119.800 -0.087 0.000 3.122 132 Q HA 0.275 4.615 4.340 0.000 0.000 0.360 132 Q C -0.772 175.197 176.000 -0.052 0.000 1.300 132 Q CA -0.069 55.650 55.803 -0.140 0.000 0.982 132 Q CB -0.069 28.566 28.738 -0.171 0.000 1.534 132 Q HN 0.286 nan 8.270 nan 0.000 0.474 133 V N 1.513 121.423 119.914 -0.007 0.000 2.508 133 V HA 0.060 4.180 4.120 0.000 0.000 0.281 133 V C 0.765 176.872 176.094 0.022 0.000 1.041 133 V CA -0.142 62.167 62.300 0.015 0.000 1.016 133 V CB 1.074 32.916 31.823 0.032 0.000 0.984 133 V HN 0.276 nan 8.190 nan 0.000 0.478 134 K N 4.155 124.569 120.400 0.023 0.000 2.298 134 K HA 0.480 4.800 4.320 0.000 0.000 0.280 134 K C 0.282 176.903 176.600 0.036 0.000 1.032 134 K CA -0.333 55.974 56.287 0.034 0.000 0.958 134 K CB 0.922 33.446 32.500 0.040 0.000 0.978 134 K HN 0.818 nan 8.250 nan 0.000 0.472 135 A N 5.414 128.258 122.820 0.041 0.000 2.466 135 A HA 0.238 4.559 4.320 0.000 0.000 0.238 135 A C -2.057 175.547 177.584 0.034 0.000 1.074 135 A CA -1.064 50.996 52.037 0.038 0.000 0.774 135 A CB -0.454 18.569 19.000 0.038 0.000 1.015 135 A HN 0.632 nan 8.150 nan 0.000 0.498 136 P HA 0.155 nan 4.420 nan 0.000 0.266 136 P C 0.668 177.984 177.300 0.027 0.000 1.195 136 P CA 0.477 63.592 63.100 0.024 0.000 0.768 136 P CB 0.430 32.142 31.700 0.020 0.000 0.838 137 G N 1.455 110.270 108.800 0.024 0.000 2.580 137 G HA2 0.144 4.104 3.960 0.000 0.000 0.225 137 G HA3 0.144 4.104 3.960 0.000 0.000 0.225 137 G C 1.015 175.929 174.900 0.024 0.000 1.521 137 G CA -0.351 44.764 45.100 0.025 0.000 1.068 137 G HN 0.331 nan 8.290 nan 0.000 0.564 138 I N -0.848 119.735 120.570 0.022 0.000 2.162 138 I HA 0.014 4.184 4.170 0.000 0.000 0.238 138 I C 2.539 178.666 176.117 0.017 0.000 1.076 138 I CA 0.585 61.897 61.300 0.021 0.000 1.353 138 I CB -0.382 37.629 38.000 0.019 0.000 1.063 138 I HN 0.235 nan 8.210 nan 0.000 0.408 139 L N 1.447 122.678 121.223 0.014 0.000 2.217 139 L HA -0.012 4.328 4.340 0.000 0.000 0.211 139 L C -0.597 176.279 176.870 0.010 0.000 1.107 139 L CA 1.581 56.428 54.840 0.011 0.000 0.783 139 L CB -1.468 40.596 42.059 0.008 0.000 0.919 139 L HN 0.209 nan 8.230 nan 0.000 0.442 140 P HA -0.061 nan 4.420 nan 0.000 0.242 140 P C 0.151 177.460 177.300 0.014 0.000 1.197 140 P CA 0.564 63.669 63.100 0.009 0.000 0.765 140 P CB 0.068 31.772 31.700 0.007 0.000 0.936 141 R N 0.110 120.622 120.500 0.019 0.000 2.596 141 R HA 0.605 4.945 4.340 0.000 0.000 0.267 141 R C 0.444 176.762 176.300 0.030 0.000 1.026 141 R CA -0.661 55.455 56.100 0.026 0.000 1.087 141 R CB 1.619 31.936 30.300 0.028 0.000 1.132 141 R HN -0.072 nan 8.270 nan 0.000 0.531 142 R N 0.262 120.788 120.500 0.042 0.000 2.668 142 R HA 0.197 4.537 4.340 0.000 0.000 0.272 142 R C -1.157 175.182 176.300 0.065 0.000 1.019 142 R CA -0.520 55.611 56.100 0.052 0.000 0.894 142 R CB 1.973 32.315 30.300 0.070 0.000 1.228 142 R HN 0.880 nan 8.270 nan 0.000 0.460 143 S N 2.045 117.782 115.700 0.061 0.000 2.533 143 S HA 0.138 4.608 4.470 0.000 0.000 0.282 143 S C 0.847 175.513 174.600 0.110 0.000 1.304 143 S CA -0.810 57.430 58.200 0.066 0.000 1.063 143 S CB 0.731 63.959 63.200 0.047 0.000 0.881 143 S HN 0.469 nan 8.310 nan 0.000 0.493 144 V N 2.039 122.001 119.914 0.080 0.000 2.720 144 V HA 0.121 4.241 4.120 0.000 0.000 0.307 144 V C 1.277 177.435 176.094 0.107 0.000 1.071 144 V CA 0.517 62.854 62.300 0.061 0.000 1.199 144 V CB -0.619 31.208 31.823 0.007 0.000 0.900 144 V HN 1.184 nan 8.190 nan 0.000 0.494 145 H N 0.684 119.742 119.070 -0.019 0.000 3.680 145 H HA 0.419 4.975 4.556 0.000 0.000 0.260 145 H C 0.027 175.326 175.328 -0.049 0.000 1.183 145 H CA -0.225 55.808 56.048 -0.025 0.000 1.159 145 H CB 0.543 30.297 29.762 -0.014 0.000 1.567 145 H HN 0.699 nan 8.280 nan 0.000 0.648 146 E N 4.035 123.958 120.200 -0.463 0.000 2.191 146 E HA 0.344 4.694 4.350 0.000 0.000 0.278 146 E C -2.668 173.767 176.600 -0.274 0.000 0.972 146 E CA -2.148 54.015 56.400 -0.395 0.000 0.804 146 E CB 2.226 31.601 29.700 -0.541 0.000 1.110 146 E HN 0.213 nan 8.360 nan 0.000 0.394 147 P HA 0.070 nan 4.420 nan 0.000 0.285 147 P C -0.634 176.502 177.300 -0.272 0.000 1.259 147 P CA -0.405 62.577 63.100 -0.197 0.000 0.794 147 P CB 0.957 32.570 31.700 -0.144 0.000 0.940 148 V N 4.632 124.418 119.914 -0.214 0.000 2.353 148 V HA 0.136 4.256 4.120 0.000 0.000 0.264 148 V C 0.783 176.774 176.094 -0.173 0.000 1.049 148 V CA -0.160 62.002 62.300 -0.229 0.000 0.896 148 V CB -0.089 31.640 31.823 -0.157 0.000 1.025 148 V HN 0.490 nan 8.190 nan 0.000 0.475 149 Q N 2.443 122.108 119.800 -0.226 0.000 2.296 149 Q HA 0.158 4.498 4.340 0.000 0.000 0.263 149 Q C 1.374 177.372 176.000 -0.003 0.000 1.026 149 Q CA 0.147 55.901 55.803 -0.080 0.000 0.912 149 Q CB 1.190 29.927 28.738 -0.002 0.000 1.198 149 Q HN 0.946 nan 8.270 nan 0.000 0.407 150 T N -1.084 113.478 114.554 0.014 0.000 3.014 150 T HA 0.085 4.435 4.350 0.000 0.000 0.263 150 T C 1.392 176.123 174.700 0.052 0.000 1.078 150 T CA 0.453 62.568 62.100 0.025 0.000 1.135 150 T CB 0.016 68.893 68.868 0.015 0.000 0.895 150 T HN 0.874 nan 8.240 nan 0.000 0.480 151 G N 1.274 110.116 108.800 0.070 0.000 2.153 151 G HA2 -0.198 3.763 3.960 0.000 0.000 0.252 151 G HA3 -0.198 3.763 3.960 0.000 0.000 0.252 151 G C -0.138 174.788 174.900 0.044 0.000 0.994 151 G CA 0.345 45.486 45.100 0.068 0.000 0.698 151 G HN 0.660 nan 8.290 nan 0.000 0.521 152 L N -0.623 120.622 121.223 0.037 0.000 2.356 152 L HA 0.456 4.796 4.340 0.000 0.000 0.277 152 L C 1.546 178.437 176.870 0.035 0.000 0.996 152 L CA -1.091 53.767 54.840 0.030 0.000 0.822 152 L CB 1.557 43.629 42.059 0.022 0.000 1.256 152 L HN 0.010 nan 8.230 nan 0.000 0.413 153 K N 2.086 122.508 120.400 0.037 0.000 2.020 153 K HA -0.213 4.107 4.320 0.000 0.000 0.212 153 K C 1.864 178.489 176.600 0.042 0.000 1.050 153 K CA 1.980 58.292 56.287 0.042 0.000 0.929 153 K CB -0.134 32.392 32.500 0.044 0.000 0.714 153 K HN 0.794 nan 8.250 nan 0.000 0.443 154 A N 0.767 123.612 122.820 0.042 0.000 2.066 154 A HA -0.057 4.263 4.320 0.000 0.000 0.218 154 A C 2.254 179.865 177.584 0.046 0.000 1.157 154 A CA 1.051 53.116 52.037 0.047 0.000 0.670 154 A CB -0.327 18.704 19.000 0.052 0.000 0.804 154 A HN 0.078 nan 8.150 nan 0.000 0.453 155 V N 0.202 120.139 119.914 0.039 0.000 2.256 155 V HA -0.155 3.965 4.120 0.000 0.000 0.240 155 V C 2.066 178.178 176.094 0.031 0.000 1.036 155 V CA 1.912 64.233 62.300 0.034 0.000 1.008 155 V CB -0.874 30.965 31.823 0.027 0.000 0.648 155 V HN 0.407 nan 8.190 nan 0.000 0.453 156 D N 0.501 120.919 120.400 0.029 0.000 2.182 156 D HA -0.126 4.514 4.640 0.000 0.000 0.201 156 D C 2.041 178.358 176.300 0.028 0.000 0.986 156 D CA 1.686 55.701 54.000 0.025 0.000 0.847 156 D CB -0.164 40.654 40.800 0.030 0.000 0.942 156 D HN 0.457 nan 8.370 nan 0.000 0.467 157 A N -0.216 122.625 122.820 0.035 0.000 1.878 157 A HA 0.055 4.375 4.320 0.000 0.000 0.213 157 A C 2.284 179.891 177.584 0.039 0.000 1.192 157 A CA 0.513 52.572 52.037 0.037 0.000 0.619 157 A CB -0.397 18.627 19.000 0.040 0.000 0.837 157 A HN 0.157 nan 8.150 nan 0.000 0.446 158 L N -0.411 120.838 121.223 0.044 0.000 2.145 158 L HA 0.066 4.406 4.340 0.000 0.000 0.201 158 L C 0.502 177.399 176.870 0.045 0.000 1.075 158 L CA 0.700 55.570 54.840 0.050 0.000 0.773 158 L CB -0.014 42.082 42.059 0.062 0.000 0.936 158 L HN 0.258 nan 8.230 nan 0.000 0.451 159 V N -1.987 117.952 119.914 0.041 0.000 2.271 159 V HA 0.405 4.525 4.120 0.000 0.000 0.259 159 V C -2.616 173.492 176.094 0.024 0.000 1.030 159 V CA -1.929 60.392 62.300 0.035 0.000 0.957 159 V CB -0.278 31.570 31.823 0.042 0.000 1.186 159 V HN -0.044 nan 8.190 nan 0.000 0.471 160 P HA 0.431 nan 4.420 nan 0.000 0.275 160 P C -0.389 176.907 177.300 -0.006 0.000 1.227 160 P CA 0.110 63.213 63.100 0.005 0.000 0.781 160 P CB 1.626 33.329 31.700 0.005 0.000 0.906 161 I N 1.717 122.274 120.570 -0.021 0.000 2.404 161 I HA 0.494 4.664 4.170 0.000 0.000 0.293 161 I C 1.102 177.184 176.117 -0.059 0.000 0.992 161 I CA -0.606 60.675 61.300 -0.031 0.000 1.149 161 I CB 1.886 39.868 38.000 -0.031 0.000 1.315 161 I HN 0.311 nan 8.210 nan 0.000 0.446 162 G N 4.418 113.185 108.800 -0.055 0.000 2.462 162 G HA2 0.497 4.457 3.960 0.000 0.000 0.319 162 G HA3 0.497 4.457 3.960 0.000 0.000 0.319 162 G C -0.389 174.453 174.900 -0.096 0.000 1.171 162 G CA -0.856 44.194 45.100 -0.084 0.000 0.920 162 G HN 0.551 nan 8.290 nan 0.000 0.499 163 R N 0.314 120.728 120.500 -0.143 0.000 2.272 163 R HA 0.416 4.756 4.340 0.000 0.000 0.334 163 R C 0.936 177.211 176.300 -0.043 0.000 1.117 163 R CA 0.804 56.829 56.100 -0.125 0.000 0.966 163 R CB 0.530 30.683 30.300 -0.246 0.000 1.049 163 R HN 0.981 nan 8.270 nan 0.000 0.477 164 G N 1.933 110.728 108.800 -0.008 0.000 2.260 164 G HA2 -0.235 3.725 3.960 0.000 0.000 0.179 164 G HA3 -0.235 3.725 3.960 0.000 0.000 0.179 164 G C 0.063 174.972 174.900 0.016 0.000 1.002 164 G CA -0.520 44.592 45.100 0.019 0.000 0.677 164 G HN 0.539 nan 8.290 nan 0.000 0.486 165 Q N 0.562 120.363 119.800 0.002 0.000 2.299 165 Q HA 0.643 4.983 4.340 0.000 0.000 0.246 165 Q C -0.053 175.956 176.000 0.014 0.000 0.935 165 Q CA -0.525 55.282 55.803 0.007 0.000 0.887 165 Q CB 0.455 29.191 28.738 -0.003 0.000 1.223 165 Q HN 0.412 nan 8.270 nan 0.000 0.439 166 R N 2.711 123.223 120.500 0.020 0.000 2.275 166 R HA 0.278 4.618 4.340 0.000 0.000 0.326 166 R C -1.259 175.052 176.300 0.019 0.000 0.973 166 R CA -0.547 55.568 56.100 0.025 0.000 0.854 166 R CB 1.287 31.603 30.300 0.027 0.000 1.156 166 R HN 0.464 nan 8.270 nan 0.000 0.487 167 E N 3.039 123.250 120.200 0.019 0.000 2.185 167 E HA 0.196 4.546 4.350 0.000 0.000 0.261 167 E C -1.415 175.196 176.600 0.019 0.000 0.879 167 E CA -0.947 55.464 56.400 0.018 0.000 0.756 167 E CB 1.095 30.804 29.700 0.014 0.000 1.152 167 E HN 0.346 nan 8.360 nan 0.000 0.416 168 L N 5.827 127.061 121.223 0.018 0.000 2.360 168 L HA 0.401 4.741 4.340 0.000 0.000 0.276 168 L C -0.879 176.006 176.870 0.025 0.000 1.121 168 L CA 0.268 55.116 54.840 0.014 0.000 0.845 168 L CB 0.347 42.411 42.059 0.008 0.000 1.143 168 L HN 0.638 nan 8.230 nan 0.000 0.452 169 I N 7.061 127.639 120.570 0.014 0.000 2.304 169 I HA 0.360 4.530 4.170 0.000 0.000 0.291 169 I C -0.084 176.032 176.117 -0.002 0.000 1.018 169 I CA -0.050 61.255 61.300 0.008 0.000 1.260 169 I CB 0.998 38.998 38.000 0.000 0.000 1.390 169 I HN 0.601 nan 8.210 nan 0.000 0.475 170 I N 5.032 125.603 120.570 0.002 0.000 2.828 170 I HA 0.909 5.079 4.170 0.000 0.000 0.302 170 I C -0.266 175.761 176.117 -0.151 0.000 1.101 170 I CA -0.109 61.194 61.300 0.005 0.000 1.031 170 I CB 2.224 40.302 38.000 0.131 0.000 1.231 170 I HN 0.694 nan 8.210 nan 0.000 0.427 171 G N 4.270 112.971 108.800 -0.164 0.000 2.339 171 G HA2 0.122 4.082 3.960 0.000 0.000 0.302 171 G HA3 0.122 4.082 3.960 0.000 0.000 0.302 171 G C -1.911 172.883 174.900 -0.177 0.000 1.425 171 G CA -0.903 43.983 45.100 -0.355 0.000 0.899 171 G HN 0.549 nan 8.290 nan 0.000 0.619 172 D N 0.290 120.587 120.400 -0.171 0.000 2.346 172 D HA 0.345 4.985 4.640 0.000 0.000 0.236 172 D C 1.431 177.656 176.300 -0.124 0.000 1.259 172 D CA 0.157 54.100 54.000 -0.095 0.000 0.898 172 D CB 0.366 41.123 40.800 -0.072 0.000 1.178 172 D HN 0.699 nan 8.370 nan 0.000 0.457 173 R N 0.809 121.260 120.500 -0.081 0.000 2.640 173 R HA 0.021 4.361 4.340 0.000 0.000 0.270 173 R C -0.156 176.054 176.300 -0.151 0.000 1.024 173 R CA -0.206 55.842 56.100 -0.087 0.000 1.085 173 R CB 0.044 30.319 30.300 -0.041 0.000 0.963 173 R HN 0.245 nan 8.270 nan 0.000 0.426 174 Q N 0.259 119.954 119.800 -0.175 0.000 2.460 174 Q HA -0.152 4.188 4.340 0.000 0.000 0.311 174 Q C -0.094 175.526 176.000 -0.634 0.000 1.396 174 Q CA 1.597 57.242 55.803 -0.263 0.000 0.838 174 Q CB -1.610 27.046 28.738 -0.137 0.000 1.140 174 Q HN 1.027 nan 8.270 nan 0.000 0.415 175 T N -5.004 109.146 114.554 -0.674 0.000 3.040 175 T HA 0.454 4.804 4.350 0.000 0.000 0.266 175 T C 1.006 175.242 174.700 -0.773 0.000 1.005 175 T CA 0.617 62.101 62.100 -1.027 0.000 0.906 175 T CB 1.139 69.696 68.868 -0.518 0.000 1.082 175 T HN 0.913 nan 8.240 nan 0.000 0.531 176 G N 1.950 110.490 108.800 -0.433 0.000 2.207 176 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 176 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 176 G C 0.558 175.422 174.900 -0.060 0.000 1.053 176 G CA 0.223 45.277 45.100 -0.077 0.000 0.764 176 G HN 0.520 nan 8.290 nan 0.000 0.495 177 K N -0.614 119.730 120.400 -0.094 0.000 2.007 177 K HA -0.005 4.315 4.320 0.000 0.000 0.206 177 K C 2.606 179.201 176.600 -0.008 0.000 1.047 177 K CA 1.742 57.996 56.287 -0.055 0.000 0.937 177 K CB -0.287 32.173 32.500 -0.066 0.000 0.718 177 K HN 0.298 nan 8.250 nan 0.000 0.438 178 T N 1.485 116.044 114.554 0.009 0.000 2.746 178 T HA -0.134 4.216 4.350 0.000 0.000 0.267 178 T C 2.080 176.795 174.700 0.025 0.000 1.039 178 T CA 1.326 63.457 62.100 0.052 0.000 1.142 178 T CB -0.319 68.594 68.868 0.074 0.000 0.866 178 T HN 0.306 nan 8.240 nan 0.000 0.444 179 A N 1.017 123.839 122.820 0.003 0.000 1.978 179 A HA -0.065 4.255 4.320 0.000 0.000 0.220 179 A C 2.577 180.148 177.584 -0.021 0.000 1.170 179 A CA 1.312 53.335 52.037 -0.024 0.000 0.636 179 A CB -1.024 17.955 19.000 -0.034 0.000 0.810 179 A HN 0.372 nan 8.150 nan 0.000 0.448 180 V N -0.474 119.438 119.914 -0.003 0.000 2.358 180 V HA -0.207 3.913 4.120 0.000 0.000 0.246 180 V C 3.028 179.127 176.094 0.008 0.000 1.047 180 V CA 1.884 64.185 62.300 0.003 0.000 1.035 180 V CB -1.052 30.775 31.823 0.006 0.000 0.658 180 V HN 0.622 nan 8.190 nan 0.000 0.452 181 A N -0.372 122.460 122.820 0.020 0.000 1.898 181 A HA -0.158 4.162 4.320 0.000 0.000 0.216 181 A C 2.138 179.733 177.584 0.018 0.000 1.181 181 A CA 1.868 53.926 52.037 0.035 0.000 0.620 181 A CB -0.567 18.482 19.000 0.081 0.000 0.819 181 A HN 0.424 nan 8.150 nan 0.000 0.442 182 L N 0.381 121.602 121.223 -0.004 0.000 1.989 182 L HA -0.202 4.138 4.340 0.000 0.000 0.211 182 L C 1.692 178.550 176.870 -0.019 0.000 1.071 182 L CA 2.723 57.541 54.840 -0.036 0.000 0.749 182 L CB -0.744 41.298 42.059 -0.028 0.000 0.890 182 L HN 0.391 nan 8.230 nan 0.000 0.431 183 D N -1.608 118.783 120.400 -0.016 0.000 2.218 183 D HA -0.152 4.488 4.640 0.000 0.000 0.204 183 D C 2.066 178.374 176.300 0.012 0.000 0.976 183 D CA 1.446 55.440 54.000 -0.011 0.000 0.853 183 D CB -0.077 40.708 40.800 -0.025 0.000 0.939 183 D HN 0.354 nan 8.370 nan 0.000 0.481 184 T N 0.095 114.658 114.554 0.015 0.000 2.746 184 T HA -0.074 4.276 4.350 0.000 0.000 0.267 184 T C 2.002 176.727 174.700 0.041 0.000 1.039 184 T CA 0.626 62.741 62.100 0.024 0.000 1.142 184 T CB -0.169 68.706 68.868 0.011 0.000 0.866 184 T HN 0.160 nan 8.240 nan 0.000 0.444 185 I N 0.676 121.274 120.570 0.047 0.000 2.252 185 I HA -0.103 4.067 4.170 0.000 0.000 0.245 185 I C 2.043 178.265 176.117 0.175 0.000 1.102 185 I CA 1.127 62.489 61.300 0.104 0.000 1.385 185 I CB -0.336 37.706 38.000 0.070 0.000 1.064 185 I HN 0.191 nan 8.210 nan 0.000 0.414 186 L N 0.356 121.633 121.223 0.090 0.000 2.275 186 L HA -0.162 4.178 4.340 0.000 0.000 0.215 186 L C 2.102 179.039 176.870 0.111 0.000 1.119 186 L CA 0.921 55.812 54.840 0.086 0.000 0.790 186 L CB -0.693 41.321 42.059 -0.074 0.000 0.919 186 L HN 0.295 nan 8.230 nan 0.000 0.443 187 N N -0.297 118.462 118.700 0.099 0.000 2.396 187 N HA -0.152 4.588 4.740 0.000 0.000 0.180 187 N C 1.726 177.356 175.510 0.200 0.000 1.028 187 N CA 0.726 53.851 53.050 0.126 0.000 0.893 187 N CB 0.154 38.727 38.487 0.143 0.000 0.967 187 N HN 0.194 nan 8.380 nan 0.000 0.440 188 Q N 0.102 119.981 119.800 0.131 0.000 2.482 188 Q HA -0.018 4.322 4.340 0.000 0.000 0.209 188 Q C 1.400 177.306 176.000 -0.157 0.000 0.961 188 Q CA 0.336 56.183 55.803 0.072 0.000 0.945 188 Q CB -0.036 28.576 28.738 -0.210 0.000 1.012 188 Q HN 0.479 nan 8.270 nan 0.000 0.515 189 K N 1.152 121.490 120.400 -0.104 0.000 2.147 189 K HA -0.097 4.223 4.320 0.000 0.000 0.205 189 K C 1.731 178.248 176.600 -0.139 0.000 1.049 189 K CA 0.733 56.975 56.287 -0.075 0.000 0.936 189 K CB 0.186 32.755 32.500 0.116 0.000 0.722 189 K HN 0.060 nan 8.250 nan 0.000 0.446 190 R N -0.751 119.594 120.500 -0.259 0.000 2.127 190 R HA -0.126 4.214 4.340 0.000 0.000 0.238 190 R C 1.785 177.728 176.300 -0.595 0.000 1.134 190 R CA 1.667 57.430 56.100 -0.562 0.000 0.975 190 R CB -0.036 29.619 30.300 -1.075 0.000 0.865 190 R HN 0.404 nan 8.270 nan 0.000 0.447 191 W N -0.594 120.610 121.300 -0.159 0.000 2.735 191 W HA 0.182 4.842 4.660 0.000 0.000 0.264 191 W C 0.903 177.311 176.519 -0.185 0.000 1.233 191 W CA -0.374 56.878 57.345 -0.155 0.000 1.408 191 W CB -0.241 29.120 29.460 -0.165 0.000 1.038 191 W HN 0.038 nan 8.180 nan 0.000 0.603 192 N N 1.258 119.913 118.700 -0.075 0.000 2.575 192 N HA -0.064 4.676 4.740 0.000 0.000 0.192 192 N C 0.176 175.648 175.510 -0.064 0.000 1.200 192 N CA 0.747 53.679 53.050 -0.196 0.000 0.897 192 N CB -0.437 37.716 38.487 -0.557 0.000 0.990 192 N HN 0.097 nan 8.380 nan 0.000 0.449 193 N N 0.104 118.780 118.700 -0.039 0.000 2.535 193 N HA 0.230 4.970 4.740 0.000 0.000 0.294 193 N C 0.321 175.826 175.510 -0.008 0.000 1.408 193 N CA -0.026 53.018 53.050 -0.010 0.000 0.927 193 N CB 1.206 39.681 38.487 -0.019 0.000 1.276 193 N HN 0.138 nan 8.380 nan 0.000 0.505 194 G N -1.161 107.648 108.800 0.014 0.000 3.135 194 G HA2 0.355 4.315 3.960 0.000 0.000 0.278 194 G HA3 0.355 4.315 3.960 0.000 0.000 0.278 194 G C -0.012 174.917 174.900 0.049 0.000 1.302 194 G CA -0.213 44.902 45.100 0.025 0.000 0.880 194 G HN 0.034 nan 8.290 nan 0.000 0.574 195 S N -0.830 114.901 115.700 0.052 0.000 2.523 195 S HA 0.200 4.670 4.470 0.000 0.000 0.217 195 S C -0.086 174.558 174.600 0.073 0.000 0.996 195 S CA -0.115 58.121 58.200 0.060 0.000 0.921 195 S CB 0.311 63.538 63.200 0.045 0.000 0.829 195 S HN 0.490 nan 8.310 nan 0.000 0.495 196 D N 2.254 122.704 120.400 0.084 0.000 2.352 196 D HA 0.179 4.819 4.640 0.000 0.000 0.245 196 D C 0.970 177.336 176.300 0.111 0.000 1.224 196 D CA 0.106 54.162 54.000 0.094 0.000 0.879 196 D CB 0.621 41.486 40.800 0.108 0.000 1.057 196 D HN -0.037 nan 8.370 nan 0.000 0.491 197 E N 0.996 121.261 120.200 0.109 0.000 2.216 197 E HA -0.098 4.252 4.350 0.000 0.000 0.192 197 E C 1.584 178.277 176.600 0.155 0.000 0.988 197 E CA 0.491 56.972 56.400 0.135 0.000 0.834 197 E CB 0.115 29.880 29.700 0.108 0.000 0.772 197 E HN 0.492 nan 8.360 nan 0.000 0.479 198 S N -0.131 115.651 115.700 0.135 0.000 2.593 198 S HA 0.120 4.590 4.470 0.000 0.000 0.217 198 S C 1.514 176.180 174.600 0.111 0.000 0.966 198 S CA 0.137 58.449 58.200 0.188 0.000 0.914 198 S CB 0.263 63.548 63.200 0.141 0.000 0.776 198 S HN -0.048 nan 8.310 nan 0.000 0.523 199 K N 0.906 121.334 120.400 0.046 0.000 2.380 199 K HA 0.312 4.632 4.320 0.000 0.000 0.198 199 K C 0.005 176.513 176.600 -0.154 0.000 1.070 199 K CA 0.090 56.306 56.287 -0.119 0.000 1.040 199 K CB 0.382 32.874 32.500 -0.013 0.000 0.903 199 K HN 0.379 nan 8.250 nan 0.000 0.549 200 K N 1.309 121.716 120.400 0.011 0.000 2.270 200 K HA 0.157 4.477 4.320 0.000 0.000 0.276 200 K C -0.522 176.018 176.600 -0.099 0.000 1.023 200 K CA -0.371 55.883 56.287 -0.055 0.000 0.955 200 K CB 0.721 33.214 32.500 -0.013 0.000 0.975 200 K HN -0.168 nan 8.250 nan 0.000 0.471 201 L N 4.006 125.058 121.223 -0.286 0.000 2.349 201 L HA 0.338 4.678 4.340 0.000 0.000 0.278 201 L C -1.628 175.025 176.870 -0.362 0.000 0.996 201 L CA -0.467 54.237 54.840 -0.226 0.000 0.825 201 L CB 0.850 42.766 42.059 -0.240 0.000 1.243 201 L HN 0.427 nan 8.230 nan 0.000 0.412 202 Y N 3.257 123.406 120.300 -0.252 0.000 2.330 202 Y HA 0.501 5.051 4.550 0.000 0.000 0.336 202 Y C 0.024 175.762 175.900 -0.270 0.000 1.036 202 Y CA -0.355 57.532 58.100 -0.355 0.000 1.125 202 Y CB 1.456 39.331 38.460 -0.974 0.000 1.194 202 Y HN 0.491 nan 8.280 nan 0.000 0.469 203 C N 3.634 122.960 119.300 0.042 0.000 2.298 203 C HA 0.631 5.091 4.460 0.000 0.000 0.323 203 C C -0.170 174.861 174.990 0.068 0.000 1.284 203 C CA -1.244 57.809 59.018 0.058 0.000 1.577 203 C CB -0.065 27.752 27.740 0.129 0.000 2.249 203 C HN 0.551 nan 8.230 nan 0.000 0.497 204 V N 4.051 123.989 119.914 0.040 0.000 2.334 204 V HA 0.228 4.348 4.120 0.000 0.000 0.281 204 V C -0.672 175.438 176.094 0.026 0.000 1.016 204 V CA -0.445 61.882 62.300 0.046 0.000 0.832 204 V CB 0.607 32.445 31.823 0.025 0.000 0.999 204 V HN 0.792 nan 8.190 nan 0.000 0.439 205 Y N 5.523 125.790 120.300 -0.055 0.000 2.367 205 Y HA 0.593 5.143 4.550 0.000 0.000 0.342 205 Y C -0.159 175.708 175.900 -0.056 0.000 0.979 205 Y CA -0.640 57.419 58.100 -0.068 0.000 1.161 205 Y CB 1.458 39.895 38.460 -0.038 0.000 1.155 205 Y HN 0.425 nan 8.280 nan 0.000 0.503 206 V N 6.121 125.703 119.914 -0.554 0.000 2.370 206 V HA 0.626 4.746 4.120 0.000 0.000 0.279 206 V C 0.014 175.769 176.094 -0.565 0.000 1.029 206 V CA -0.732 61.332 62.300 -0.393 0.000 0.870 206 V CB 0.841 32.547 31.823 -0.194 0.000 0.984 206 V HN 0.923 nan 8.190 nan 0.000 0.451 207 A N 5.232 127.855 122.820 -0.328 0.000 2.444 207 A HA 0.699 5.019 4.320 0.000 0.000 0.332 207 A C -0.426 177.115 177.584 -0.071 0.000 1.430 207 A CA -0.388 51.527 52.037 -0.203 0.000 0.975 207 A CB 0.427 19.415 19.000 -0.020 0.000 1.147 207 A HN 0.705 nan 8.150 nan 0.000 0.524 208 V N 2.538 122.418 119.914 -0.058 0.000 2.293 208 V HA 0.624 4.744 4.120 0.000 0.000 0.275 208 V C 1.171 177.283 176.094 0.030 0.000 1.021 208 V CA 0.522 62.825 62.300 0.005 0.000 0.815 208 V CB 0.244 32.077 31.823 0.015 0.000 1.025 208 V HN 1.635 nan 8.190 nan 0.000 0.448 209 G N 3.774 112.601 108.800 0.046 0.000 2.194 209 G HA2 -0.202 3.758 3.960 0.000 0.000 0.236 209 G HA3 -0.202 3.758 3.960 0.000 0.000 0.236 209 G C 0.216 175.146 174.900 0.049 0.000 0.987 209 G CA -0.010 45.122 45.100 0.054 0.000 0.635 209 G HN 0.585 nan 8.290 nan 0.000 0.520 210 Q N 0.411 120.239 119.800 0.047 0.000 2.443 210 Q HA 0.465 4.805 4.340 0.000 0.000 0.232 210 Q C 0.396 176.429 176.000 0.055 0.000 1.026 210 Q CA -0.024 55.812 55.803 0.056 0.000 0.924 210 Q CB 0.650 29.432 28.738 0.074 0.000 1.256 210 Q HN 0.358 nan 8.270 nan 0.000 0.519 211 K N 0.836 121.269 120.400 0.054 0.000 2.355 211 K HA 0.005 4.325 4.320 0.000 0.000 0.270 211 K C 1.053 177.685 176.600 0.052 0.000 1.003 211 K CA 0.127 56.443 56.287 0.048 0.000 0.957 211 K CB 0.588 33.114 32.500 0.043 0.000 0.939 211 K HN 0.429 nan 8.250 nan 0.000 0.482 212 R N 0.721 121.248 120.500 0.045 0.000 2.073 212 R HA -0.173 4.167 4.340 0.000 0.000 0.234 212 R C 2.317 178.642 176.300 0.042 0.000 1.134 212 R CA 2.086 58.213 56.100 0.044 0.000 0.952 212 R CB -0.244 30.078 30.300 0.037 0.000 0.850 212 R HN 0.820 nan 8.270 nan 0.000 0.433 213 S N -0.174 115.547 115.700 0.036 0.000 2.387 213 S HA -0.179 4.291 4.470 0.000 0.000 0.230 213 S C 1.923 176.544 174.600 0.035 0.000 1.035 213 S CA 1.892 60.111 58.200 0.031 0.000 1.014 213 S CB -0.688 62.529 63.200 0.029 0.000 0.836 213 S HN 0.257 nan 8.310 nan 0.000 0.466 214 T N 2.544 117.125 114.554 0.045 0.000 2.674 214 T HA -0.028 4.322 4.350 0.000 0.000 0.265 214 T C 1.992 176.726 174.700 0.057 0.000 1.039 214 T CA 1.531 63.662 62.100 0.052 0.000 1.150 214 T CB -0.767 68.140 68.868 0.065 0.000 0.864 214 T HN 0.324 nan 8.240 nan 0.000 0.427 215 V N 2.012 121.972 119.914 0.077 0.000 2.407 215 V HA -0.165 3.955 4.120 0.000 0.000 0.248 215 V C 2.945 179.068 176.094 0.048 0.000 1.055 215 V CA 1.617 63.974 62.300 0.096 0.000 1.049 215 V CB -1.375 30.523 31.823 0.124 0.000 0.662 215 V HN 0.545 nan 8.190 nan 0.000 0.455 216 A N -0.694 122.148 122.820 0.036 0.000 1.933 216 A HA -0.273 4.047 4.320 0.000 0.000 0.218 216 A C 2.205 179.791 177.584 0.002 0.000 1.175 216 A CA 1.905 53.953 52.037 0.018 0.000 0.628 216 A CB -0.443 18.567 19.000 0.018 0.000 0.814 216 A HN 0.618 nan 8.150 nan 0.000 0.444 217 Q N -1.067 118.736 119.800 0.006 0.000 2.245 217 Q HA 0.045 4.385 4.340 0.000 0.000 0.201 217 Q C 2.059 178.046 176.000 -0.021 0.000 0.955 217 Q CA 1.020 56.820 55.803 -0.004 0.000 0.870 217 Q CB -0.174 28.569 28.738 0.009 0.000 0.945 217 Q HN 0.735 nan 8.270 nan 0.000 0.461 218 L N -0.228 120.979 121.223 -0.027 0.000 2.072 218 L HA -0.131 4.209 4.340 0.000 0.000 0.205 218 L C 2.020 178.830 176.870 -0.101 0.000 1.079 218 L CA 0.846 55.639 54.840 -0.077 0.000 0.752 218 L CB -0.088 41.896 42.059 -0.125 0.000 0.906 218 L HN -0.014 nan 8.230 nan 0.000 0.436 219 V N 0.068 119.939 119.914 -0.071 0.000 2.407 219 V HA -0.303 3.817 4.120 0.000 0.000 0.248 219 V C 2.559 178.617 176.094 -0.060 0.000 1.055 219 V CA 1.936 64.197 62.300 -0.065 0.000 1.049 219 V CB -0.660 31.146 31.823 -0.029 0.000 0.662 219 V HN 0.592 nan 8.190 nan 0.000 0.455 220 Q N 0.593 120.364 119.800 -0.049 0.000 2.170 220 Q HA -0.171 4.169 4.340 0.000 0.000 0.203 220 Q C 2.066 178.032 176.000 -0.058 0.000 0.976 220 Q CA 2.488 58.262 55.803 -0.048 0.000 0.858 220 Q CB -0.666 28.049 28.738 -0.039 0.000 0.907 220 Q HN 0.697 nan 8.270 nan 0.000 0.433 221 T N 0.539 115.053 114.554 -0.067 0.000 2.777 221 T HA -0.061 4.289 4.350 0.000 0.000 0.266 221 T C 1.776 176.475 174.700 -0.001 0.000 1.040 221 T CA 1.342 63.402 62.100 -0.068 0.000 1.141 221 T CB -0.276 68.519 68.868 -0.121 0.000 0.868 221 T HN 0.228 nan 8.240 nan 0.000 0.444 222 L N 0.769 121.955 121.223 -0.061 0.000 2.046 222 L HA -0.028 4.312 4.340 0.000 0.000 0.208 222 L C 2.751 179.584 176.870 -0.061 0.000 1.077 222 L CA 1.282 56.074 54.840 -0.079 0.000 0.747 222 L CB -0.575 41.397 42.059 -0.145 0.000 0.896 222 L HN 0.241 nan 8.230 nan 0.000 0.432 223 E N -0.350 119.812 120.200 -0.063 0.000 2.418 223 E HA -0.215 4.135 4.350 0.000 0.000 0.197 223 E C 1.972 178.539 176.600 -0.056 0.000 1.026 223 E CA 0.472 56.835 56.400 -0.062 0.000 0.862 223 E CB 0.154 29.820 29.700 -0.056 0.000 0.799 223 E HN 0.515 nan 8.360 nan 0.000 0.518 224 Q N -0.586 119.185 119.800 -0.049 0.000 2.339 224 Q HA -0.063 4.277 4.340 0.000 0.000 0.205 224 Q C 0.793 176.684 176.000 -0.181 0.000 0.925 224 Q CA 0.589 56.325 55.803 -0.112 0.000 0.898 224 Q CB 0.297 28.950 28.738 -0.142 0.000 1.013 224 Q HN 0.305 nan 8.270 nan 0.000 0.504 225 H N -0.241 118.776 119.070 -0.089 0.000 2.529 225 H HA 0.089 4.645 4.556 0.000 0.000 0.277 225 H C -0.372 174.930 175.328 -0.043 0.000 1.004 225 H CA 0.579 56.593 56.048 -0.057 0.000 1.167 225 H CB 0.554 30.291 29.762 -0.042 0.000 1.445 225 H HN 0.247 nan 8.280 nan 0.000 0.554 226 D N -0.452 119.954 120.400 0.011 0.000 2.911 226 D HA -0.230 4.410 4.640 0.000 0.000 0.227 226 D C 1.130 177.371 176.300 -0.099 0.000 1.164 226 D CA 0.765 54.752 54.000 -0.022 0.000 0.782 226 D CB -1.154 39.655 40.800 0.015 0.000 1.094 226 D HN 0.507 nan 8.370 nan 0.000 0.425 227 A N -0.999 121.714 122.820 -0.179 0.000 2.178 227 A HA 0.148 4.468 4.320 0.000 0.000 0.211 227 A C 1.991 179.073 177.584 -0.836 0.000 1.157 227 A CA 1.124 52.831 52.037 -0.550 0.000 0.780 227 A CB -0.137 18.739 19.000 -0.208 0.000 0.828 227 A HN 0.319 nan 8.150 nan 0.000 0.476 228 M N 0.949 120.297 119.600 -0.420 0.000 2.288 228 M HA -0.057 4.423 4.480 0.000 0.000 0.266 228 M C 1.954 178.099 176.300 -0.257 0.000 1.072 228 M CA 1.899 57.026 55.300 -0.289 0.000 1.132 228 M CB -0.370 32.141 32.600 -0.149 0.000 1.386 228 M HN 0.477 nan 8.290 nan 0.000 0.432 229 K N -0.319 119.939 120.400 -0.237 0.000 2.209 229 K HA -0.183 4.137 4.320 0.000 0.000 0.204 229 K C 0.631 177.251 176.600 0.033 0.000 1.048 229 K CA 1.736 57.983 56.287 -0.066 0.000 0.940 229 K CB -0.910 31.592 32.500 0.003 0.000 0.729 229 K HN 0.599 nan 8.250 nan 0.000 0.451 230 Y N 0.661 120.980 120.300 0.033 0.000 2.708 230 Y HA 0.428 4.978 4.550 0.000 0.000 0.287 230 Y C -0.523 175.401 175.900 0.041 0.000 1.145 230 Y CA -1.137 56.973 58.100 0.017 0.000 1.249 230 Y CB -0.201 38.158 38.460 -0.167 0.000 1.152 230 Y HN 0.097 nan 8.280 nan 0.000 0.532 231 S N -0.044 115.687 115.700 0.052 0.000 2.579 231 S HA 0.811 5.281 4.470 0.000 0.000 0.272 231 S C -1.176 173.473 174.600 0.081 0.000 1.141 231 S CA -0.836 57.405 58.200 0.068 0.000 0.843 231 S CB 1.841 65.024 63.200 -0.028 0.000 1.122 231 S HN 0.243 nan 8.310 nan 0.000 0.468 232 I N 1.708 122.343 120.570 0.108 0.000 2.499 232 I HA 0.410 4.580 4.170 0.000 0.000 0.288 232 I C -1.149 175.028 176.117 0.101 0.000 1.048 232 I CA -0.880 60.483 61.300 0.105 0.000 1.062 232 I CB 1.842 39.926 38.000 0.141 0.000 1.238 232 I HN 0.545 nan 8.210 nan 0.000 0.426 233 I N 7.031 127.655 120.570 0.090 0.000 2.371 233 I HA 0.299 4.469 4.170 0.000 0.000 0.282 233 I C -0.069 176.095 176.117 0.078 0.000 1.031 233 I CA -0.709 60.664 61.300 0.123 0.000 1.180 233 I CB 1.102 39.188 38.000 0.142 0.000 1.336 233 I HN 0.153 nan 8.210 nan 0.000 0.467 234 V N 5.856 125.798 119.914 0.048 0.000 2.385 234 V HA 0.596 4.716 4.120 0.000 0.000 0.269 234 V C 0.672 176.770 176.094 0.007 0.000 1.043 234 V CA -0.399 61.913 62.300 0.019 0.000 0.906 234 V CB 1.212 33.040 31.823 0.007 0.000 0.995 234 V HN 0.847 nan 8.190 nan 0.000 0.467 235 A N 4.648 127.481 122.820 0.022 0.000 2.318 235 A HA 0.888 5.208 4.320 0.000 0.000 0.317 235 A C 0.005 177.608 177.584 0.030 0.000 1.159 235 A CA -0.358 51.695 52.037 0.027 0.000 0.799 235 A CB 1.413 20.441 19.000 0.048 0.000 1.194 235 A HN 1.251 nan 8.150 nan 0.000 0.479 236 A N 2.894 125.734 122.820 0.034 0.000 2.646 236 A HA 0.624 4.944 4.320 0.000 0.000 0.312 236 A C 0.391 178.008 177.584 0.055 0.000 1.245 236 A CA 0.067 52.136 52.037 0.053 0.000 0.755 236 A CB -0.249 18.792 19.000 0.069 0.000 1.132 236 A HN 1.318 nan 8.150 nan 0.000 0.458 237 T N -1.049 113.538 114.554 0.054 0.000 2.732 237 T HA 0.532 4.882 4.350 0.000 0.000 0.287 237 T C 1.576 176.309 174.700 0.055 0.000 0.993 237 T CA 0.108 62.239 62.100 0.053 0.000 0.966 237 T CB 0.991 69.889 68.868 0.050 0.000 1.047 237 T HN 1.101 nan 8.240 nan 0.000 0.527 238 A N 0.859 123.709 122.820 0.050 0.000 1.933 238 A HA -0.054 4.266 4.320 0.000 0.000 0.218 238 A C 2.545 180.157 177.584 0.046 0.000 1.175 238 A CA 2.017 54.083 52.037 0.049 0.000 0.628 238 A CB -1.422 17.604 19.000 0.043 0.000 0.814 238 A HN 1.105 nan 8.150 nan 0.000 0.444 239 S N -0.454 115.271 115.700 0.043 0.000 2.527 239 S HA 0.065 4.535 4.470 0.000 0.000 0.222 239 S C 0.534 175.161 174.600 0.045 0.000 0.985 239 S CA 0.038 58.262 58.200 0.039 0.000 0.921 239 S CB -0.193 63.028 63.200 0.033 0.000 0.772 239 S HN 0.629 nan 8.310 nan 0.000 0.529 240 E N 1.442 121.675 120.200 0.055 0.000 2.373 240 E HA 0.536 4.886 4.350 0.000 0.000 0.263 240 E C 0.167 176.815 176.600 0.080 0.000 1.073 240 E CA -0.315 56.126 56.400 0.069 0.000 0.894 240 E CB 0.806 30.551 29.700 0.076 0.000 1.008 240 E HN 0.474 nan 8.360 nan 0.000 0.420 241 A N 1.818 124.694 122.820 0.094 0.000 2.555 241 A HA 0.137 4.457 4.320 0.000 0.000 0.233 241 A C 1.211 178.867 177.584 0.120 0.000 1.060 241 A CA 0.720 52.814 52.037 0.095 0.000 0.759 241 A CB 0.279 19.343 19.000 0.107 0.000 0.995 241 A HN 0.809 nan 8.150 nan 0.000 0.506 242 A N 3.352 126.227 122.820 0.092 0.000 1.908 242 A HA -0.036 4.284 4.320 0.000 0.000 0.218 242 A C -0.134 177.564 177.584 0.190 0.000 1.181 242 A CA 2.011 54.117 52.037 0.114 0.000 0.627 242 A CB -1.588 17.448 19.000 0.061 0.000 0.818 242 A HN 0.641 nan 8.150 nan 0.000 0.445 243 P HA -0.133 nan 4.420 nan 0.000 0.216 243 P C 1.422 179.029 177.300 0.511 0.000 1.150 243 P CA 0.829 64.089 63.100 0.266 0.000 0.837 243 P CB -0.150 31.508 31.700 -0.070 0.000 0.786 244 L N -1.024 120.466 121.223 0.444 0.000 2.083 244 L HA -0.218 4.122 4.340 0.000 0.000 0.209 244 L C 2.568 179.585 176.870 0.246 0.000 1.083 244 L CA 1.576 56.637 54.840 0.369 0.000 0.752 244 L CB -0.812 41.401 42.059 0.256 0.000 0.899 244 L HN 0.042 nan 8.230 nan 0.000 0.433 245 Q N -1.299 118.641 119.800 0.234 0.000 2.123 245 Q HA -0.230 4.110 4.340 0.000 0.000 0.199 245 Q C 2.091 178.225 176.000 0.225 0.000 0.966 245 Q CA 1.663 57.578 55.803 0.186 0.000 0.845 245 Q CB -0.269 28.568 28.738 0.165 0.000 0.907 245 Q HN 0.533 nan 8.270 nan 0.000 0.439 246 Y N 1.002 121.428 120.300 0.209 0.000 2.181 246 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 246 Y C 1.849 177.936 175.900 0.312 0.000 1.146 246 Y CA 1.211 59.466 58.100 0.258 0.000 1.164 246 Y CB -0.290 38.373 38.460 0.339 0.000 0.982 246 Y HN 0.082 nan 8.280 nan 0.000 0.515 247 L N 0.720 121.903 121.223 -0.067 0.000 2.240 247 L HA 0.105 4.445 4.340 0.000 0.000 0.211 247 L C 2.502 179.369 176.870 -0.004 0.000 1.106 247 L CA 1.551 56.309 54.840 -0.137 0.000 0.793 247 L CB -1.061 41.053 42.059 0.092 0.000 0.927 247 L HN 0.343 nan 8.230 nan 0.000 0.446 248 A N 0.529 123.357 122.820 0.013 0.000 1.873 248 A HA -0.157 4.163 4.320 0.000 0.000 0.218 248 A C 0.044 177.620 177.584 -0.014 0.000 1.193 248 A CA 2.122 54.163 52.037 0.007 0.000 0.629 248 A CB -2.066 16.947 19.000 0.021 0.000 0.826 248 A HN 0.385 nan 8.150 nan 0.000 0.447 249 P HA -0.151 nan 4.420 nan 0.000 0.215 249 P C 1.063 178.275 177.300 -0.147 0.000 1.157 249 P CA 1.245 64.271 63.100 -0.123 0.000 0.874 249 P CB -0.207 31.203 31.700 -0.484 0.000 0.790 250 F N -0.183 119.702 119.950 -0.109 0.000 2.102 250 F HA -0.182 4.345 4.527 0.000 0.000 0.298 250 F C 2.544 178.316 175.800 -0.046 0.000 1.105 250 F CA 2.024 59.956 58.000 -0.113 0.000 1.239 250 F CB -2.061 36.812 39.000 -0.211 0.000 0.991 250 F HN -0.010 nan 8.300 nan 0.000 0.474 251 T N -1.853 112.780 114.554 0.133 0.000 2.821 251 T HA -0.088 4.262 4.350 0.000 0.000 0.267 251 T C 2.140 176.881 174.700 0.068 0.000 1.046 251 T CA 0.958 63.099 62.100 0.068 0.000 1.139 251 T CB -0.867 68.009 68.868 0.014 0.000 0.871 251 T HN 0.188 nan 8.240 nan 0.000 0.454 252 A N 1.747 124.610 122.820 0.071 0.000 1.972 252 A HA 0.341 4.661 4.320 0.000 0.000 0.219 252 A C 2.783 180.432 177.584 0.109 0.000 1.169 252 A CA 1.782 53.863 52.037 0.074 0.000 0.635 252 A CB -1.300 17.731 19.000 0.053 0.000 0.810 252 A HN 0.778 nan 8.150 nan 0.000 0.446 253 A N -0.648 122.260 122.820 0.147 0.000 1.930 253 A HA -0.004 4.316 4.320 0.000 0.000 0.217 253 A C 2.424 180.092 177.584 0.139 0.000 1.175 253 A CA 1.856 53.993 52.037 0.166 0.000 0.627 253 A CB -0.724 18.382 19.000 0.176 0.000 0.815 253 A HN 0.442 nan 8.150 nan 0.000 0.443 254 S N 0.046 115.817 115.700 0.119 0.000 2.356 254 S HA -0.123 4.347 4.470 0.000 0.000 0.223 254 S C 1.818 176.483 174.600 0.108 0.000 1.032 254 S CA 1.442 59.702 58.200 0.100 0.000 1.005 254 S CB -0.517 62.726 63.200 0.073 0.000 0.867 254 S HN 0.535 nan 8.310 nan 0.000 0.449 255 I N 1.579 122.206 120.570 0.095 0.000 2.118 255 I HA -0.228 3.942 4.170 0.000 0.000 0.241 255 I C 2.712 178.943 176.117 0.190 0.000 1.070 255 I CA 1.416 62.773 61.300 0.094 0.000 1.327 255 I CB -0.893 37.155 38.000 0.080 0.000 1.034 255 I HN 0.400 nan 8.210 nan 0.000 0.405 256 G N -0.152 108.785 108.800 0.229 0.000 2.422 256 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 256 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 256 G C 1.500 176.594 174.900 0.322 0.000 1.146 256 G CA 0.557 45.856 45.100 0.332 0.000 0.769 256 G HN 0.423 nan 8.290 nan 0.000 0.547 257 E N -0.844 119.479 120.200 0.204 0.000 2.204 257 E HA -0.158 4.192 4.350 0.000 0.000 0.195 257 E C 1.906 178.575 176.600 0.115 0.000 0.990 257 E CA 0.505 56.991 56.400 0.142 0.000 0.821 257 E CB -0.186 29.574 29.700 0.101 0.000 0.750 257 E HN 0.693 nan 8.360 nan 0.000 0.477 258 W N 0.157 121.414 121.300 -0.072 0.000 2.363 258 W HA -0.196 4.464 4.660 0.000 0.000 0.296 258 W C 1.389 177.758 176.519 -0.249 0.000 1.212 258 W CA 1.362 58.582 57.345 -0.209 0.000 1.260 258 W CB -0.216 29.032 29.460 -0.353 0.000 1.131 258 W HN 0.006 nan 8.180 nan 0.000 0.530 259 F N 0.016 120.036 119.950 0.117 0.000 2.186 259 F HA -0.106 4.421 4.527 0.000 0.000 0.299 259 F C 2.708 178.385 175.800 -0.204 0.000 1.090 259 F CA 2.029 59.987 58.000 -0.071 0.000 1.307 259 F CB -1.103 37.908 39.000 0.018 0.000 1.019 259 F HN -0.200 nan 8.300 nan 0.000 0.489 260 R N 0.668 121.198 120.500 0.050 0.000 2.062 260 R HA -0.132 4.208 4.340 0.000 0.000 0.229 260 R C 1.462 177.682 176.300 -0.133 0.000 1.128 260 R CA 1.808 57.886 56.100 -0.037 0.000 0.960 260 R CB -0.408 29.904 30.300 0.020 0.000 0.855 260 R HN 0.155 nan 8.270 nan 0.000 0.432 261 D N 0.380 120.673 120.400 -0.177 0.000 2.350 261 D HA -0.089 4.551 4.640 0.000 0.000 0.216 261 D C 0.241 176.345 176.300 -0.326 0.000 0.968 261 D CA 0.783 54.650 54.000 -0.221 0.000 0.894 261 D CB -0.093 40.580 40.800 -0.213 0.000 0.909 261 D HN 0.244 nan 8.370 nan 0.000 0.520 262 N N -0.076 118.361 118.700 -0.440 0.000 2.467 262 N HA 0.177 4.918 4.740 0.000 0.000 0.278 262 N C 0.716 176.038 175.510 -0.313 0.000 1.306 262 N CA 0.054 52.812 53.050 -0.488 0.000 0.905 262 N CB 1.306 39.236 38.487 -0.929 0.000 1.236 262 N HN 0.053 nan 8.380 nan 0.000 0.509 263 G N 1.311 109.971 108.800 -0.235 0.000 2.258 263 G HA2 -0.316 3.644 3.960 0.000 0.000 0.274 263 G HA3 -0.316 3.644 3.960 0.000 0.000 0.274 263 G C 0.069 174.825 174.900 -0.241 0.000 1.021 263 G CA 0.772 45.752 45.100 -0.199 0.000 0.798 263 G HN 0.349 nan 8.290 nan 0.000 0.507 264 K N -0.887 119.362 120.400 -0.253 0.000 2.378 264 K HA 0.600 4.920 4.320 0.000 0.000 0.244 264 K C -0.601 175.819 176.600 -0.300 0.000 1.039 264 K CA -1.074 55.083 56.287 -0.217 0.000 0.863 264 K CB 1.302 33.819 32.500 0.029 0.000 1.326 264 K HN 0.259 nan 8.250 nan 0.000 0.460 265 H N 0.208 119.341 119.070 0.105 0.000 2.551 265 H HA 0.415 4.971 4.556 0.000 0.000 0.321 265 H C -0.804 174.534 175.328 0.017 0.000 1.028 265 H CA -0.551 55.519 56.048 0.036 0.000 1.215 265 H CB 1.590 31.330 29.762 -0.037 0.000 1.414 265 H HN 0.653 nan 8.280 nan 0.000 0.480 266 A N 3.435 126.308 122.820 0.088 0.000 2.311 266 A HA 0.582 4.902 4.320 0.000 0.000 0.334 266 A C -0.826 176.757 177.584 -0.001 0.000 1.139 266 A CA -0.683 51.342 52.037 -0.020 0.000 0.830 266 A CB 1.286 20.323 19.000 0.062 0.000 1.234 266 A HN 0.520 nan 8.150 nan 0.000 0.483 267 L N 1.641 122.843 121.223 -0.035 0.000 2.409 267 L HA 0.741 5.081 4.340 0.000 0.000 0.272 267 L C -1.187 175.646 176.870 -0.061 0.000 0.980 267 L CA -0.271 54.546 54.840 -0.039 0.000 0.826 267 L CB 1.390 43.423 42.059 -0.042 0.000 1.268 267 L HN 0.680 nan 8.230 nan 0.000 0.407 268 I N 5.224 125.722 120.570 -0.119 0.000 2.433 268 I HA 0.612 4.782 4.170 0.000 0.000 0.292 268 I C -1.267 174.597 176.117 -0.421 0.000 1.001 268 I CA -0.670 60.461 61.300 -0.283 0.000 1.119 268 I CB 1.806 39.596 38.000 -0.350 0.000 1.289 268 I HN 0.407 nan 8.210 nan 0.000 0.438 269 V N 8.080 127.745 119.914 -0.415 0.000 2.350 269 V HA 0.299 4.419 4.120 0.000 0.000 0.285 269 V C -1.091 174.718 176.094 -0.474 0.000 1.014 269 V CA -0.509 61.596 62.300 -0.324 0.000 0.831 269 V CB 0.943 32.752 31.823 -0.023 0.000 1.000 269 V HN 0.469 nan 8.190 nan 0.000 0.433 270 Y N 2.505 122.722 120.300 -0.138 0.000 2.535 270 Y HA 0.469 5.019 4.550 0.000 0.000 0.349 270 Y C 0.398 176.189 175.900 -0.181 0.000 0.992 270 Y CA -0.760 57.229 58.100 -0.185 0.000 1.248 270 Y CB 0.574 38.929 38.460 -0.174 0.000 1.124 270 Y HN 0.531 nan 8.280 nan 0.000 0.520 271 D N 3.546 123.858 120.400 -0.147 0.000 2.432 271 D HA 0.193 4.833 4.640 0.000 0.000 0.265 271 D C -1.242 175.008 176.300 -0.084 0.000 1.160 271 D CA -0.442 53.485 54.000 -0.122 0.000 0.911 271 D CB 0.178 40.873 40.800 -0.176 0.000 1.052 271 D HN 0.681 nan 8.370 nan 0.000 0.508 272 D N -0.024 120.361 120.400 -0.024 0.000 2.592 272 D HA 0.255 4.895 4.640 0.000 0.000 0.263 272 D C 0.770 177.068 176.300 -0.003 0.000 1.132 272 D CA -0.729 53.264 54.000 -0.012 0.000 0.996 272 D CB 0.977 41.773 40.800 -0.008 0.000 1.442 272 D HN 0.068 nan 8.370 nan 0.000 0.486 273 L N 0.026 121.220 121.223 -0.049 0.000 2.418 273 L HA 0.037 4.377 4.340 0.000 0.000 0.218 273 L C 1.741 178.628 176.870 0.028 0.000 1.125 273 L CA 0.371 55.163 54.840 -0.080 0.000 0.835 273 L CB -0.295 41.509 42.059 -0.424 0.000 0.953 273 L HN 0.389 nan 8.230 nan 0.000 0.454 274 S N 0.201 115.911 115.700 0.017 0.000 2.368 274 S HA -0.136 4.334 4.470 0.000 0.000 0.224 274 S C 1.901 176.588 174.600 0.145 0.000 1.029 274 S CA 1.193 59.446 58.200 0.088 0.000 0.988 274 S CB -0.032 63.205 63.200 0.061 0.000 0.838 274 S HN 0.367 nan 8.310 nan 0.000 0.462 275 K N 0.949 121.413 120.400 0.106 0.000 2.296 275 K HA 0.041 4.361 4.320 0.000 0.000 0.200 275 K C 2.333 179.016 176.600 0.139 0.000 1.048 275 K CA 0.429 56.783 56.287 0.112 0.000 0.966 275 K CB -0.029 32.515 32.500 0.074 0.000 0.754 275 K HN 0.329 nan 8.250 nan 0.000 0.466 276 Q N 0.441 120.331 119.800 0.150 0.000 2.083 276 Q HA -0.085 4.255 4.340 0.000 0.000 0.198 276 Q C 1.980 178.138 176.000 0.263 0.000 0.969 276 Q CA 1.226 57.139 55.803 0.183 0.000 0.838 276 Q CB 0.027 28.845 28.738 0.134 0.000 0.900 276 Q HN 0.309 nan 8.270 nan 0.000 0.436 277 A N -0.012 122.990 122.820 0.304 0.000 1.930 277 A HA -0.101 4.219 4.320 0.000 0.000 0.217 277 A C 2.171 180.033 177.584 0.463 0.000 1.175 277 A CA 1.268 53.535 52.037 0.384 0.000 0.627 277 A CB -0.557 18.672 19.000 0.381 0.000 0.815 277 A HN 0.278 nan 8.150 nan 0.000 0.443 278 V N -0.207 119.911 119.914 0.339 0.000 2.358 278 V HA -0.224 3.896 4.120 0.000 0.000 0.246 278 V C 3.010 179.182 176.094 0.130 0.000 1.047 278 V CA 1.867 64.280 62.300 0.188 0.000 1.035 278 V CB -1.065 30.843 31.823 0.141 0.000 0.658 278 V HN 0.601 nan 8.190 nan 0.000 0.452 279 A N -1.266 121.658 122.820 0.173 0.000 1.969 279 A HA -0.223 4.097 4.320 0.000 0.000 0.218 279 A C 2.134 179.824 177.584 0.176 0.000 1.169 279 A CA 1.711 53.843 52.037 0.158 0.000 0.635 279 A CB -0.638 18.475 19.000 0.189 0.000 0.810 279 A HN 0.617 nan 8.150 nan 0.000 0.445 280 Y N 0.236 120.607 120.300 0.119 0.000 2.263 280 Y HA -0.087 4.463 4.550 0.000 0.000 0.292 280 Y C 2.442 178.357 175.900 0.024 0.000 1.130 280 Y CA 1.755 59.893 58.100 0.063 0.000 1.179 280 Y CB -0.289 38.234 38.460 0.105 0.000 0.998 280 Y HN 0.304 nan 8.280 nan 0.000 0.532 281 R N 0.295 120.814 120.500 0.032 0.000 2.120 281 R HA -0.214 4.126 4.340 0.000 0.000 0.234 281 R C 2.368 178.567 176.300 -0.168 0.000 1.123 281 R CA 1.626 57.660 56.100 -0.111 0.000 0.975 281 R CB -0.277 29.906 30.300 -0.196 0.000 0.866 281 R HN 0.534 nan 8.270 nan 0.000 0.446 282 Q N 0.598 120.330 119.800 -0.114 0.000 2.002 282 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 282 Q C 2.179 178.090 176.000 -0.149 0.000 0.988 282 Q CA 1.838 57.579 55.803 -0.104 0.000 0.843 282 Q CB -0.133 28.576 28.738 -0.049 0.000 0.908 282 Q HN 0.425 nan 8.270 nan 0.000 0.420 283 L N 0.325 121.430 121.223 -0.196 0.000 1.989 283 L HA -0.242 4.098 4.340 0.000 0.000 0.211 283 L C 2.657 179.358 176.870 -0.282 0.000 1.071 283 L CA 1.538 56.232 54.840 -0.242 0.000 0.749 283 L CB -0.587 41.289 42.059 -0.305 0.000 0.890 283 L HN 0.265 nan 8.230 nan 0.000 0.431 284 S N 0.248 115.698 115.700 -0.417 0.000 2.368 284 S HA -0.245 4.225 4.470 0.000 0.000 0.226 284 S C 1.937 176.423 174.600 -0.189 0.000 1.044 284 S CA 1.615 59.611 58.200 -0.340 0.000 1.062 284 S CB -0.560 62.407 63.200 -0.388 0.000 0.931 284 S HN 0.296 nan 8.310 nan 0.000 0.440 285 L N 0.737 121.862 121.223 -0.164 0.000 2.093 285 L HA -0.038 4.302 4.340 0.000 0.000 0.208 285 L C 2.176 178.988 176.870 -0.096 0.000 1.085 285 L CA 0.932 55.704 54.840 -0.113 0.000 0.755 285 L CB -0.451 41.544 42.059 -0.107 0.000 0.904 285 L HN 0.285 nan 8.230 nan 0.000 0.435 286 L N -0.771 120.388 121.223 -0.106 0.000 2.313 286 L HA -0.126 4.214 4.340 0.000 0.000 0.214 286 L C 1.890 178.711 176.870 -0.083 0.000 1.119 286 L CA 0.616 55.404 54.840 -0.086 0.000 0.809 286 L CB -0.061 41.946 42.059 -0.086 0.000 0.933 286 L HN 0.284 nan 8.230 nan 0.000 0.449 287 L N -0.554 120.609 121.223 -0.100 0.000 2.611 287 L HA 0.135 4.475 4.340 0.000 0.000 0.229 287 L C 0.816 177.645 176.870 -0.067 0.000 1.137 287 L CA 0.108 54.896 54.840 -0.086 0.000 0.901 287 L CB -0.049 41.944 42.059 -0.110 0.000 1.098 287 L HN 0.219 nan 8.230 nan 0.000 0.456 288 R N -0.984 119.478 120.500 -0.064 0.000 3.963 288 R HA -0.138 4.202 4.340 0.000 0.000 0.394 288 R C -0.204 176.070 176.300 -0.043 0.000 1.131 288 R CA 0.324 56.395 56.100 -0.048 0.000 1.059 288 R CB -1.573 28.706 30.300 -0.035 0.000 1.614 288 R HN 0.299 nan 8.270 nan 0.000 0.546 289 R N 1.673 122.141 120.500 -0.054 0.000 2.484 289 R HA 0.098 4.438 4.340 0.000 0.000 0.293 289 R C -2.144 174.139 176.300 -0.028 0.000 1.023 289 R CA -1.178 54.898 56.100 -0.039 0.000 1.037 289 R CB -0.144 30.124 30.300 -0.052 0.000 0.951 289 R HN -0.020 nan 8.270 nan 0.000 0.418 290 P HA 0.096 nan 4.420 nan 0.000 0.267 290 P C -2.116 175.184 177.300 -0.000 0.000 1.205 290 P CA -0.909 62.186 63.100 -0.009 0.000 0.765 290 P CB 0.131 31.829 31.700 -0.004 0.000 0.828 291 P HA 0.210 nan 4.420 nan 0.000 0.278 291 P C 0.170 177.472 177.300 0.004 0.000 1.238 291 P CA 0.001 63.102 63.100 0.001 0.000 0.794 291 P CB 1.330 33.017 31.700 -0.020 0.000 0.955 292 G N 2.140 110.950 108.800 0.017 0.000 3.434 292 G HA2 0.234 4.194 3.960 0.000 0.000 0.197 292 G HA3 0.234 4.194 3.960 0.000 0.000 0.197 292 G C -0.233 174.626 174.900 -0.068 0.000 1.559 292 G CA -0.672 44.410 45.100 -0.030 0.000 0.852 292 G HN 0.394 nan 8.290 nan 0.000 0.682 293 R N 1.292 121.670 120.500 -0.203 0.000 2.538 293 R HA 0.104 4.444 4.340 0.000 0.000 0.282 293 R C -0.145 176.158 176.300 0.005 0.000 1.009 293 R CA 0.478 56.425 56.100 -0.255 0.000 1.063 293 R CB 0.085 29.906 30.300 -0.798 0.000 0.945 293 R HN 0.673 nan 8.270 nan 0.000 0.414 294 E N 1.787 122.023 120.200 0.060 0.000 2.294 294 E HA -0.330 4.020 4.350 0.000 0.000 0.228 294 E C 0.442 177.092 176.600 0.083 0.000 1.253 294 E CA 0.467 56.952 56.400 0.143 0.000 0.716 294 E CB -1.094 28.793 29.700 0.313 0.000 1.184 294 E HN 0.862 nan 8.360 nan 0.000 0.374 295 A N -2.044 120.787 122.820 0.020 0.000 3.100 295 A HA -0.325 3.995 4.320 0.000 0.000 0.268 295 A C 0.156 177.713 177.584 -0.045 0.000 1.227 295 A CA 1.829 53.842 52.037 -0.040 0.000 0.967 295 A CB -1.964 16.980 19.000 -0.093 0.000 1.066 295 A HN 0.486 nan 8.150 nan 0.000 0.787 296 Y N 0.654 120.995 120.300 0.068 0.000 2.397 296 Y HA 0.413 4.963 4.550 0.000 0.000 0.335 296 Y C -1.263 174.708 175.900 0.119 0.000 1.213 296 Y CA -1.001 57.183 58.100 0.139 0.000 1.391 296 Y CB 0.387 39.024 38.460 0.295 0.000 1.293 296 Y HN 0.249 nan 8.280 nan 0.000 0.557 297 P HA 0.040 nan 4.420 nan 0.000 0.274 297 P C 0.482 177.947 177.300 0.274 0.000 1.231 297 P CA -0.078 63.151 63.100 0.216 0.000 0.790 297 P CB 0.978 32.786 31.700 0.180 0.000 0.951 298 G N 1.576 110.493 108.800 0.195 0.000 2.535 298 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 298 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 298 G C 0.627 175.672 174.900 0.241 0.000 1.122 298 G CA 0.493 45.709 45.100 0.193 0.000 0.769 298 G HN 0.641 nan 8.290 nan 0.000 0.549 299 D N -0.308 120.256 120.400 0.273 0.000 2.501 299 D HA 0.101 4.741 4.640 0.000 0.000 0.226 299 D C 1.582 178.060 176.300 0.297 0.000 1.198 299 D CA -0.452 53.728 54.000 0.300 0.000 0.830 299 D CB 0.085 41.056 40.800 0.285 0.000 1.014 299 D HN 0.063 nan 8.370 nan 0.000 0.496 300 V N -0.126 119.968 119.914 0.299 0.000 2.809 300 V HA -0.066 4.054 4.120 0.000 0.000 0.256 300 V C 1.712 177.801 176.094 -0.009 0.000 1.080 300 V CA 0.970 63.359 62.300 0.148 0.000 1.102 300 V CB -0.761 31.216 31.823 0.257 0.000 0.705 300 V HN 0.223 nan 8.190 nan 0.000 0.475 301 F N 0.190 120.143 119.950 0.004 0.000 2.102 301 F HA -0.213 4.314 4.527 0.000 0.000 0.298 301 F C 2.140 177.970 175.800 0.049 0.000 1.105 301 F CA 2.299 60.294 58.000 -0.009 0.000 1.239 301 F CB -0.667 38.353 39.000 0.034 0.000 0.991 301 F HN 0.343 nan 8.300 nan 0.000 0.474 302 Y N 0.716 120.990 120.300 -0.042 0.000 2.315 302 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 302 Y C 2.093 177.884 175.900 -0.181 0.000 1.154 302 Y CA 1.533 59.562 58.100 -0.119 0.000 1.229 302 Y CB -0.816 37.669 38.460 0.041 0.000 0.980 302 Y HN 0.269 nan 8.280 nan 0.000 0.540 303 L N -0.236 120.796 121.223 -0.319 0.000 1.989 303 L HA -0.253 4.087 4.340 0.000 0.000 0.211 303 L C 2.134 178.776 176.870 -0.381 0.000 1.071 303 L CA 2.418 57.008 54.840 -0.416 0.000 0.749 303 L CB -0.889 40.790 42.059 -0.633 0.000 0.890 303 L HN 0.327 nan 8.230 nan 0.000 0.431 304 H N -1.523 117.340 119.070 -0.345 0.000 2.482 304 H HA -0.018 4.538 4.556 0.000 0.000 0.286 304 H C 2.372 177.450 175.328 -0.416 0.000 1.017 304 H CA 0.826 56.637 56.048 -0.395 0.000 1.322 304 H CB 0.054 29.608 29.762 -0.347 0.000 1.426 304 H HN 0.567 nan 8.280 nan 0.000 0.546 305 S N 1.678 117.134 115.700 -0.407 0.000 2.338 305 S HA -0.237 4.233 4.470 0.000 0.000 0.218 305 S C 2.112 176.586 174.600 -0.211 0.000 1.032 305 S CA 1.189 59.154 58.200 -0.392 0.000 0.999 305 S CB -0.326 62.528 63.200 -0.577 0.000 0.905 305 S HN 0.566 nan 8.310 nan 0.000 0.439 306 R N 0.990 121.349 120.500 -0.235 0.000 2.193 306 R HA 0.074 4.414 4.340 0.000 0.000 0.229 306 R C 2.284 178.556 176.300 -0.046 0.000 1.110 306 R CA 1.243 57.254 56.100 -0.148 0.000 0.988 306 R CB -0.702 29.387 30.300 -0.352 0.000 0.871 306 R HN 0.495 nan 8.270 nan 0.000 0.458 307 L N 0.785 121.953 121.223 -0.092 0.000 2.068 307 L HA 0.049 4.389 4.340 0.000 0.000 0.204 307 L C 2.015 178.777 176.870 -0.180 0.000 1.076 307 L CA 1.459 56.185 54.840 -0.191 0.000 0.753 307 L CB -0.144 41.547 42.059 -0.614 0.000 0.910 307 L HN 0.190 nan 8.230 nan 0.000 0.439 308 L N -0.761 120.349 121.223 -0.188 0.000 2.209 308 L HA -0.013 4.327 4.340 0.000 0.000 0.207 308 L C 2.522 179.375 176.870 -0.028 0.000 1.094 308 L CA 0.396 55.175 54.840 -0.101 0.000 0.790 308 L CB -0.659 41.329 42.059 -0.118 0.000 0.932 308 L HN 0.253 nan 8.230 nan 0.000 0.447 309 E N 0.853 121.032 120.200 -0.034 0.000 2.219 309 E HA -0.243 4.107 4.350 0.000 0.000 0.198 309 E C 2.159 178.772 176.600 0.021 0.000 0.998 309 E CA 1.180 57.581 56.400 0.002 0.000 0.818 309 E CB -0.084 29.621 29.700 0.008 0.000 0.741 309 E HN 0.480 nan 8.360 nan 0.000 0.477 310 R N 0.218 120.733 120.500 0.025 0.000 2.237 310 R HA 0.035 4.375 4.340 0.000 0.000 0.219 310 R C 0.871 177.206 176.300 0.058 0.000 1.080 310 R CA 0.503 56.630 56.100 0.046 0.000 0.995 310 R CB 0.024 30.360 30.300 0.061 0.000 0.875 310 R HN -0.065 nan 8.270 nan 0.000 0.462 311 A N 1.181 124.037 122.820 0.059 0.000 2.354 311 A HA 0.636 4.956 4.320 0.000 0.000 0.281 311 A C -0.277 177.335 177.584 0.047 0.000 1.174 311 A CA -0.171 51.905 52.037 0.064 0.000 0.828 311 A CB 0.502 19.548 19.000 0.076 0.000 1.099 311 A HN 0.275 nan 8.150 nan 0.000 0.516 312 A N 2.461 125.308 122.820 0.046 0.000 2.594 312 A HA 0.761 5.081 4.320 0.000 0.000 0.291 312 A C -0.717 176.892 177.584 0.042 0.000 1.105 312 A CA -0.796 51.264 52.037 0.039 0.000 0.694 312 A CB 1.201 20.222 19.000 0.035 0.000 1.291 312 A HN 0.778 nan 8.150 nan 0.000 0.410 313 K N 1.571 121.996 120.400 0.042 0.000 2.334 313 K HA 0.601 4.921 4.320 0.000 0.000 0.265 313 K C -1.143 175.488 176.600 0.051 0.000 1.039 313 K CA -0.167 56.152 56.287 0.052 0.000 0.920 313 K CB -0.099 32.435 32.500 0.056 0.000 1.160 313 K HN 0.586 nan 8.250 nan 0.000 0.451 314 L N 3.238 124.484 121.223 0.039 0.000 2.439 314 L HA 0.191 4.531 4.340 0.000 0.000 0.269 314 L C 0.635 177.528 176.870 0.038 0.000 1.179 314 L CA -0.347 54.508 54.840 0.025 0.000 0.828 314 L CB 0.983 43.040 42.059 -0.003 0.000 1.106 314 L HN 0.849 nan 8.230 nan 0.000 0.467 315 S N 0.676 116.392 115.700 0.027 0.000 2.600 315 S HA 0.077 4.547 4.470 0.000 0.000 0.265 315 S C 0.790 175.402 174.600 0.019 0.000 1.325 315 S CA -0.646 57.571 58.200 0.028 0.000 1.002 315 S CB 1.062 64.272 63.200 0.016 0.000 0.921 315 S HN 0.673 nan 8.310 nan 0.000 0.554 316 E N 0.413 120.625 120.200 0.020 0.000 2.153 316 E HA -0.144 4.206 4.350 0.000 0.000 0.194 316 E C 1.684 178.282 176.600 -0.003 0.000 0.988 316 E CA 0.780 57.187 56.400 0.012 0.000 0.811 316 E CB -0.088 29.618 29.700 0.011 0.000 0.746 316 E HN 0.596 nan 8.360 nan 0.000 0.466 317 K N 0.606 121.003 120.400 -0.004 0.000 2.515 317 K HA -0.119 4.201 4.320 0.000 0.000 0.196 317 K C 0.818 177.408 176.600 -0.017 0.000 1.038 317 K CA 0.735 57.016 56.287 -0.010 0.000 0.967 317 K CB 0.307 32.803 32.500 -0.007 0.000 0.780 317 K HN 0.049 nan 8.250 nan 0.000 0.483 318 E N -1.395 118.794 120.200 -0.018 0.000 2.526 318 E HA 0.091 4.441 4.350 0.000 0.000 0.208 318 E C 0.955 177.526 176.600 -0.049 0.000 0.997 318 E CA 0.554 56.935 56.400 -0.031 0.000 0.961 318 E CB 1.354 31.040 29.700 -0.024 0.000 1.030 318 E HN 0.428 nan 8.360 nan 0.000 0.483 319 G N 0.978 109.752 108.800 -0.042 0.000 2.231 319 G HA2 -0.275 3.685 3.960 0.000 0.000 0.206 319 G HA3 -0.275 3.685 3.960 0.000 0.000 0.206 319 G C 0.577 175.444 174.900 -0.054 0.000 0.996 319 G CA 0.165 45.230 45.100 -0.059 0.000 0.645 319 G HN 0.080 nan 8.290 nan 0.000 0.498 320 S N -0.629 115.054 115.700 -0.029 0.000 3.490 320 S HA -0.130 4.340 4.470 0.000 0.000 0.301 320 S C 1.491 176.054 174.600 -0.062 0.000 1.233 320 S CA 1.530 59.731 58.200 0.002 0.000 0.914 320 S CB -1.366 61.867 63.200 0.055 0.000 1.047 320 S HN 2.176 nan 8.310 nan 0.000 0.602 321 G N 0.994 109.718 108.800 -0.127 0.000 2.634 321 G HA2 0.549 4.509 3.960 0.000 0.000 0.255 321 G HA3 0.549 4.509 3.960 0.000 0.000 0.255 321 G C -0.109 174.734 174.900 -0.094 0.000 1.205 321 G CA 0.379 45.346 45.100 -0.223 0.000 0.884 321 G HN 1.259 nan 8.290 nan 0.000 0.549 322 S N -1.134 114.531 115.700 -0.059 0.000 2.541 322 S HA 0.598 5.068 4.470 0.000 0.000 0.271 322 S C -1.442 173.206 174.600 0.080 0.000 1.133 322 S CA -0.831 57.417 58.200 0.079 0.000 0.876 322 S CB 2.009 65.352 63.200 0.239 0.000 1.105 322 S HN 0.863 nan 8.310 nan 0.000 0.470 323 L N 2.267 123.532 121.223 0.071 0.000 2.349 323 L HA 0.713 5.053 4.340 0.000 0.000 0.278 323 L C -0.771 176.130 176.870 0.053 0.000 0.996 323 L CA 0.159 55.043 54.840 0.072 0.000 0.825 323 L CB 1.797 43.906 42.059 0.085 0.000 1.243 323 L HN 0.939 nan 8.230 nan 0.000 0.412 324 T N 4.664 119.237 114.554 0.033 0.000 2.772 324 T HA 0.772 5.122 4.350 0.000 0.000 0.288 324 T C -0.189 174.513 174.700 0.003 0.000 0.994 324 T CA -0.344 61.763 62.100 0.012 0.000 0.951 324 T CB 1.226 70.085 68.868 -0.016 0.000 0.933 324 T HN 0.765 nan 8.240 nan 0.000 0.447 325 A N 4.031 126.870 122.820 0.032 0.000 2.276 325 A HA 0.708 5.028 4.320 0.000 0.000 0.316 325 A C -0.122 177.483 177.584 0.036 0.000 1.229 325 A CA -0.699 51.371 52.037 0.055 0.000 0.851 325 A CB 0.257 19.386 19.000 0.215 0.000 1.165 325 A HN 0.901 nan 8.150 nan 0.000 0.513 326 L N 5.308 126.525 121.223 -0.011 0.000 2.426 326 L HA 0.318 4.658 4.340 0.000 0.000 0.255 326 L C -2.244 174.650 176.870 0.039 0.000 1.080 326 L CA -1.714 53.130 54.840 0.007 0.000 0.960 326 L CB 1.133 43.185 42.059 -0.011 0.000 1.326 326 L HN 0.510 nan 8.230 nan 0.000 0.441 327 P HA 0.225 nan 4.420 nan 0.000 0.277 327 P C -0.571 176.741 177.300 0.021 0.000 1.240 327 P CA -0.263 62.913 63.100 0.127 0.000 0.798 327 P CB 2.229 33.957 31.700 0.048 0.000 0.979 328 V N 3.286 123.199 119.914 -0.001 0.000 2.555 328 V HA 0.448 4.568 4.120 0.000 0.000 0.302 328 V C 0.305 176.368 176.094 -0.050 0.000 1.038 328 V CA -0.639 61.649 62.300 -0.020 0.000 0.887 328 V CB 1.816 33.636 31.823 -0.006 0.000 0.991 328 V HN 0.422 nan 8.190 nan 0.000 0.434 329 I N 3.001 123.546 120.570 -0.042 0.000 2.689 329 I HA 0.491 4.661 4.170 0.000 0.000 0.299 329 I C -0.248 175.861 176.117 -0.013 0.000 1.059 329 I CA -0.479 60.797 61.300 -0.039 0.000 1.055 329 I CB 2.264 40.232 38.000 -0.052 0.000 1.243 329 I HN 0.778 nan 8.210 nan 0.000 0.425 330 E N 4.023 124.225 120.200 0.003 0.000 2.149 330 E HA 0.316 4.666 4.350 0.000 0.000 0.255 330 E C -0.481 176.140 176.600 0.034 0.000 0.888 330 E CA -0.453 55.951 56.400 0.007 0.000 0.742 330 E CB 0.982 30.685 29.700 0.005 0.000 1.164 330 E HN 0.720 nan 8.360 nan 0.000 0.422 331 T N 1.839 116.422 114.554 0.048 0.000 2.856 331 T HA 0.146 4.496 4.350 0.000 0.000 0.306 331 T C 0.210 174.949 174.700 0.064 0.000 1.062 331 T CA -0.729 61.420 62.100 0.081 0.000 1.083 331 T CB 1.088 70.044 68.868 0.147 0.000 0.984 331 T HN 0.326 nan 8.240 nan 0.000 0.542 332 Q N 0.475 120.320 119.800 0.074 0.000 2.293 332 Q HA 0.485 4.825 4.340 0.000 0.000 0.261 332 Q C 1.294 177.332 176.000 0.064 0.000 0.960 332 Q CA 0.196 56.036 55.803 0.061 0.000 0.882 332 Q CB 1.191 29.967 28.738 0.063 0.000 1.275 332 Q HN 1.239 nan 8.270 nan 0.000 0.445 333 G N 1.713 110.543 108.800 0.051 0.000 2.200 333 G HA2 -0.309 3.651 3.960 0.000 0.000 0.268 333 G HA3 -0.309 3.651 3.960 0.000 0.000 0.268 333 G C 0.768 175.714 174.900 0.077 0.000 0.986 333 G CA 0.862 45.993 45.100 0.052 0.000 0.677 333 G HN 1.453 nan 8.290 nan 0.000 0.532 334 G N -0.962 107.906 108.800 0.113 0.000 2.144 334 G HA2 -0.061 3.899 3.960 0.000 0.000 0.218 334 G HA3 -0.061 3.899 3.960 0.000 0.000 0.218 334 G C -0.072 174.936 174.900 0.180 0.000 0.988 334 G CA 0.836 46.059 45.100 0.206 0.000 0.659 334 G HN 1.535 nan 8.290 nan 0.000 0.522 335 D N 0.502 120.974 120.400 0.120 0.000 2.316 335 D HA 0.468 5.108 4.640 0.000 0.000 0.245 335 D C 1.619 177.965 176.300 0.077 0.000 1.171 335 D CA 0.259 54.304 54.000 0.075 0.000 0.856 335 D CB 1.296 42.133 40.800 0.063 0.000 1.090 335 D HN 0.626 nan 8.370 nan 0.000 0.476 336 V N 1.151 121.078 119.914 0.022 0.000 3.650 336 V HA 0.143 4.263 4.120 0.000 0.000 0.271 336 V C 1.359 177.456 176.094 0.006 0.000 1.281 336 V CA 0.270 62.574 62.300 0.007 0.000 1.120 336 V CB 0.033 31.799 31.823 -0.094 0.000 0.856 336 V HN 0.386 nan 8.190 nan 0.000 0.443 337 S N 1.403 117.109 115.700 0.011 0.000 2.720 337 S HA 0.532 5.002 4.470 0.000 0.000 0.222 337 S C 1.084 175.719 174.600 0.057 0.000 0.958 337 S CA 0.485 58.700 58.200 0.024 0.000 0.943 337 S CB -0.494 62.717 63.200 0.018 0.000 0.779 337 S HN 0.893 nan 8.310 nan 0.000 0.526 338 A N 0.244 123.104 122.820 0.066 0.000 2.351 338 A HA 0.426 4.746 4.320 0.000 0.000 0.257 338 A C 0.798 178.453 177.584 0.119 0.000 1.087 338 A CA -0.392 51.705 52.037 0.101 0.000 0.798 338 A CB -0.002 19.056 19.000 0.097 0.000 1.033 338 A HN 0.376 nan 8.150 nan 0.000 0.488 339 Y N 1.755 122.064 120.300 0.015 0.000 2.128 339 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 339 Y C 1.743 177.620 175.900 -0.037 0.000 1.154 339 Y CA 2.285 60.380 58.100 -0.008 0.000 1.149 339 Y CB -0.058 38.399 38.460 -0.004 0.000 0.976 339 Y HN 0.527 nan 8.280 nan 0.000 0.505 340 I N 0.295 120.734 120.570 -0.219 0.000 2.233 340 I HA -0.128 4.042 4.170 0.000 0.000 0.243 340 I C -0.387 175.643 176.117 -0.144 0.000 1.093 340 I CA 1.048 62.174 61.300 -0.289 0.000 1.380 340 I CB -2.693 35.168 38.000 -0.232 0.000 1.067 340 I HN 0.139 nan 8.210 nan 0.000 0.413 341 P HA -0.154 nan 4.420 nan 0.000 0.216 341 P C 1.844 179.129 177.300 -0.024 0.000 1.153 341 P CA 2.442 65.527 63.100 -0.024 0.000 0.858 341 P CB -0.284 31.430 31.700 0.023 0.000 0.789 342 T N -3.367 111.173 114.554 -0.023 0.000 2.746 342 T HA -0.157 4.193 4.350 0.000 0.000 0.267 342 T C 1.771 176.466 174.700 -0.008 0.000 1.039 342 T CA 1.404 63.498 62.100 -0.010 0.000 1.142 342 T CB -1.244 67.632 68.868 0.013 0.000 0.866 342 T HN -0.034 nan 8.240 nan 0.000 0.444 343 N N 1.255 119.918 118.700 -0.062 0.000 2.104 343 N HA -0.055 4.685 4.740 0.000 0.000 0.190 343 N C 1.924 177.514 175.510 0.133 0.000 1.024 343 N CA 1.232 54.319 53.050 0.062 0.000 0.853 343 N CB -0.662 37.787 38.487 -0.063 0.000 1.008 343 N HN 0.382 nan 8.380 nan 0.000 0.424 344 V N 0.954 120.868 119.914 0.001 0.000 2.591 344 V HA -0.028 4.092 4.120 0.000 0.000 0.249 344 V C 2.158 178.246 176.094 -0.011 0.000 1.053 344 V CA 0.747 63.015 62.300 -0.054 0.000 1.068 344 V CB -0.235 31.484 31.823 -0.174 0.000 0.689 344 V HN 0.211 nan 8.190 nan 0.000 0.462 345 I N 1.330 121.906 120.570 0.010 0.000 2.315 345 I HA -0.185 3.985 4.170 0.000 0.000 0.248 345 I C 2.538 178.684 176.117 0.049 0.000 1.117 345 I CA 1.727 63.041 61.300 0.022 0.000 1.404 345 I CB -0.374 37.635 38.000 0.016 0.000 1.071 345 I HN 0.465 nan 8.210 nan 0.000 0.419 346 S N 0.267 116.019 115.700 0.086 0.000 2.595 346 S HA 0.013 4.483 4.470 0.000 0.000 0.235 346 S C 1.578 176.286 174.600 0.180 0.000 0.974 346 S CA 0.642 58.919 58.200 0.128 0.000 0.942 346 S CB -0.384 62.900 63.200 0.139 0.000 0.766 346 S HN 0.440 nan 8.310 nan 0.000 0.536 347 I N 1.170 121.814 120.570 0.123 0.000 3.132 347 I HA 0.071 4.241 4.170 0.000 0.000 0.255 347 I C 1.196 177.329 176.117 0.027 0.000 1.118 347 I CA 0.536 61.873 61.300 0.061 0.000 1.463 347 I CB -0.346 37.628 38.000 -0.043 0.000 1.356 347 I HN 0.313 nan 8.210 nan 0.000 0.463 348 T N -0.760 113.800 114.554 0.010 0.000 2.856 348 T HA 0.024 4.374 4.350 0.000 0.000 0.306 348 T C 0.168 174.880 174.700 0.021 0.000 1.062 348 T CA -0.402 61.703 62.100 0.008 0.000 1.083 348 T CB 0.455 69.322 68.868 -0.000 0.000 0.984 348 T HN 0.072 nan 8.240 nan 0.000 0.542 349 D N 1.834 122.246 120.400 0.020 0.000 3.032 349 D HA 0.396 5.036 4.640 0.000 0.000 0.241 349 D C 1.200 177.514 176.300 0.023 0.000 1.196 349 D CA 0.670 54.684 54.000 0.023 0.000 0.927 349 D CB -0.769 40.043 40.800 0.021 0.000 1.129 349 D HN 1.024 nan 8.370 nan 0.000 0.458 350 G N 1.154 109.969 108.800 0.024 0.000 2.483 350 G HA2 0.014 3.974 3.960 0.000 0.000 0.521 350 G HA3 0.014 3.974 3.960 0.000 0.000 0.521 350 G C -1.335 173.584 174.900 0.032 0.000 1.278 350 G CA -0.878 44.238 45.100 0.027 0.000 0.965 350 G HN 0.305 nan 8.290 nan 0.000 0.504 351 Q N -1.093 118.733 119.800 0.043 0.000 2.479 351 Q HA 0.583 4.923 4.340 0.000 0.000 0.276 351 Q C -1.535 174.513 176.000 0.081 0.000 0.989 351 Q CA -0.875 54.963 55.803 0.059 0.000 0.864 351 Q CB 1.271 30.052 28.738 0.071 0.000 1.444 351 Q HN 1.063 nan 8.270 nan 0.000 0.388 352 I N 2.341 122.960 120.570 0.081 0.000 2.304 352 I HA 0.358 4.528 4.170 0.000 0.000 0.291 352 I C -0.622 175.576 176.117 0.135 0.000 1.018 352 I CA -0.700 60.657 61.300 0.094 0.000 1.260 352 I CB 0.643 38.675 38.000 0.053 0.000 1.390 352 I HN 0.520 nan 8.210 nan 0.000 0.475 353 F N 7.930 127.891 119.950 0.019 0.000 2.361 353 F HA 0.479 5.006 4.527 0.000 0.000 0.364 353 F C -0.606 175.210 175.800 0.027 0.000 1.120 353 F CA -0.573 57.438 58.000 0.018 0.000 1.102 353 F CB 0.664 39.675 39.000 0.018 0.000 1.183 353 F HN 0.265 nan 8.300 nan 0.000 0.476 354 L N 6.363 127.282 121.223 -0.507 0.000 2.282 354 L HA 0.243 4.583 4.340 0.000 0.000 0.287 354 L C 0.211 176.721 176.870 -0.601 0.000 1.075 354 L CA -0.055 54.554 54.840 -0.384 0.000 0.839 354 L CB 0.562 42.478 42.059 -0.237 0.000 1.219 354 L HN 0.598 nan 8.230 nan 0.000 0.434 355 E N 2.169 122.178 120.200 -0.319 0.000 2.289 355 E HA 0.208 4.558 4.350 0.000 0.000 0.278 355 E C 0.661 177.253 176.600 -0.014 0.000 1.032 355 E CA 0.021 56.334 56.400 -0.144 0.000 0.854 355 E CB 1.556 31.358 29.700 0.169 0.000 1.046 355 E HN 0.724 nan 8.360 nan 0.000 0.409 356 A N 4.618 127.430 122.820 -0.014 0.000 1.858 356 A HA -0.230 4.090 4.320 0.000 0.000 0.216 356 A C 1.934 179.613 177.584 0.159 0.000 1.190 356 A CA 1.819 53.887 52.037 0.051 0.000 0.617 356 A CB -0.491 18.517 19.000 0.012 0.000 0.827 356 A HN 0.920 nan 8.150 nan 0.000 0.443 357 E N -0.107 120.169 120.200 0.127 0.000 2.136 357 E HA -0.242 4.108 4.350 0.000 0.000 0.202 357 E C 1.889 178.607 176.600 0.197 0.000 1.019 357 E CA 1.703 58.184 56.400 0.135 0.000 0.819 357 E CB -0.295 29.463 29.700 0.096 0.000 0.739 357 E HN 0.638 nan 8.360 nan 0.000 0.458 358 L N -0.423 120.907 121.223 0.178 0.000 2.027 358 L HA -0.130 4.210 4.340 0.000 0.000 0.206 358 L C 2.441 179.419 176.870 0.180 0.000 1.074 358 L CA 1.106 56.044 54.840 0.163 0.000 0.745 358 L CB -0.562 41.581 42.059 0.139 0.000 0.898 358 L HN 0.222 nan 8.230 nan 0.000 0.433 359 F N 0.234 120.223 119.950 0.066 0.000 2.091 359 F HA -0.364 4.163 4.527 0.000 0.000 0.299 359 F C 2.680 178.523 175.800 0.072 0.000 1.103 359 F CA 1.938 59.967 58.000 0.047 0.000 1.228 359 F CB -0.496 38.520 39.000 0.027 0.000 0.984 359 F HN 0.045 nan 8.300 nan 0.000 0.477 360 Y N 1.237 121.643 120.300 0.177 0.000 2.207 360 Y HA -0.246 4.304 4.550 0.000 0.000 0.287 360 Y C 2.139 178.033 175.900 -0.010 0.000 1.156 360 Y CA 2.078 60.227 58.100 0.082 0.000 1.182 360 Y CB -0.521 37.997 38.460 0.097 0.000 0.979 360 Y HN 0.001 nan 8.280 nan 0.000 0.521 361 K N -0.473 119.925 120.400 -0.004 0.000 2.365 361 K HA 0.077 4.397 4.320 0.000 0.000 0.199 361 K C 1.315 177.809 176.600 -0.176 0.000 1.045 361 K CA 0.857 57.078 56.287 -0.109 0.000 0.962 361 K CB -0.186 32.352 32.500 0.063 0.000 0.759 361 K HN 0.608 nan 8.250 nan 0.000 0.469 362 G N 1.475 110.147 108.800 -0.213 0.000 2.168 362 G HA2 -0.196 3.764 3.960 0.000 0.000 0.197 362 G HA3 -0.196 3.764 3.960 0.000 0.000 0.197 362 G C 0.078 174.868 174.900 -0.183 0.000 0.997 362 G CA -0.490 44.465 45.100 -0.242 0.000 0.658 362 G HN 0.189 nan 8.290 nan 0.000 0.513 363 I N 1.827 122.325 120.570 -0.119 0.000 2.311 363 I HA 0.398 4.568 4.170 0.000 0.000 0.297 363 I C 0.685 176.766 176.117 -0.060 0.000 1.131 363 I CA 0.023 61.292 61.300 -0.051 0.000 1.289 363 I CB 0.251 38.263 38.000 0.020 0.000 1.446 363 I HN 0.034 nan 8.210 nan 0.000 0.524 364 R N 6.366 126.816 120.500 -0.083 0.000 2.532 364 R HA 0.456 4.796 4.340 0.000 0.000 0.297 364 R C -2.692 173.600 176.300 -0.014 0.000 0.984 364 R CA -1.885 54.183 56.100 -0.055 0.000 0.884 364 R CB 1.703 31.900 30.300 -0.172 0.000 1.182 364 R HN 0.176 nan 8.270 nan 0.000 0.442 365 P HA -0.022 nan 4.420 nan 0.000 0.266 365 P C -0.440 176.912 177.300 0.087 0.000 1.195 365 P CA 0.057 63.198 63.100 0.068 0.000 0.768 365 P CB 0.766 32.496 31.700 0.050 0.000 0.838 366 A N 4.207 127.114 122.820 0.146 0.000 3.105 366 A HA 0.201 4.521 4.320 0.000 0.000 0.272 366 A C 0.466 178.105 177.584 0.092 0.000 1.466 366 A CA -0.360 51.763 52.037 0.143 0.000 1.101 366 A CB -1.336 17.817 19.000 0.256 0.000 1.065 366 A HN 0.495 nan 8.150 nan 0.000 0.643 367 I N 1.549 122.169 120.570 0.084 0.000 2.581 367 I HA -0.041 4.129 4.170 0.000 0.000 0.285 367 I C 0.704 176.896 176.117 0.126 0.000 1.129 367 I CA -0.154 61.199 61.300 0.088 0.000 1.397 367 I CB 0.259 38.307 38.000 0.081 0.000 1.399 367 I HN 0.413 nan 8.210 nan 0.000 0.537 368 N N 6.443 125.251 118.700 0.180 0.000 2.431 368 N HA 0.029 4.769 4.740 0.000 0.000 0.265 368 N C 0.798 176.409 175.510 0.169 0.000 1.184 368 N CA -0.041 53.143 53.050 0.224 0.000 0.943 368 N CB 1.449 40.186 38.487 0.418 0.000 1.080 368 N HN 0.415 nan 8.380 nan 0.000 0.477 369 V N 3.927 123.920 119.914 0.132 0.000 2.358 369 V HA -0.077 4.043 4.120 0.000 0.000 0.246 369 V C 2.325 178.470 176.094 0.086 0.000 1.047 369 V CA 2.010 64.376 62.300 0.110 0.000 1.035 369 V CB -0.916 30.978 31.823 0.118 0.000 0.658 369 V HN 0.758 nan 8.190 nan 0.000 0.452 370 G N -0.722 108.120 108.800 0.069 0.000 2.534 370 G HA2 -0.056 3.904 3.960 0.000 0.000 0.217 370 G HA3 -0.056 3.904 3.960 0.000 0.000 0.217 370 G C 1.480 176.390 174.900 0.016 0.000 1.128 370 G CA 0.494 45.615 45.100 0.035 0.000 0.784 370 G HN 0.478 nan 8.290 nan 0.000 0.542 371 L N 0.148 121.387 121.223 0.028 0.000 2.575 371 L HA 0.277 4.617 4.340 0.000 0.000 0.228 371 L C 1.025 177.919 176.870 0.039 0.000 1.075 371 L CA 0.050 54.876 54.840 -0.023 0.000 0.867 371 L CB 0.470 42.435 42.059 -0.157 0.000 1.097 371 L HN -0.058 nan 8.230 nan 0.000 0.485 372 S N -0.236 115.522 115.700 0.097 0.000 2.565 372 S HA 0.444 4.914 4.470 0.000 0.000 0.276 372 S C -0.473 174.165 174.600 0.064 0.000 1.326 372 S CA -0.175 58.085 58.200 0.101 0.000 1.045 372 S CB 1.939 65.208 63.200 0.115 0.000 0.918 372 S HN -0.013 nan 8.310 nan 0.000 0.505 373 V N 2.243 122.190 119.914 0.055 0.000 3.000 373 V HA 0.601 4.721 4.120 0.000 0.000 0.300 373 V C -1.042 175.074 176.094 0.037 0.000 1.251 373 V CA -0.533 61.791 62.300 0.041 0.000 0.972 373 V CB 2.530 34.371 31.823 0.030 0.000 1.065 373 V HN 0.770 nan 8.190 nan 0.000 0.431 374 S N 5.375 121.094 115.700 0.032 0.000 2.532 374 S HA 0.471 4.941 4.470 0.000 0.000 0.318 374 S C 0.897 175.511 174.600 0.023 0.000 1.083 374 S CA -0.604 57.612 58.200 0.026 0.000 1.131 374 S CB 0.773 63.987 63.200 0.023 0.000 0.973 374 S HN 0.772 nan 8.310 nan 0.000 0.468 375 R N 2.412 122.925 120.500 0.023 0.000 2.241 375 R HA -0.050 4.290 4.340 0.000 0.000 0.224 375 R C 1.450 177.762 176.300 0.021 0.000 1.101 375 R CA 1.747 57.860 56.100 0.022 0.000 0.995 375 R CB -0.144 30.169 30.300 0.023 0.000 0.870 375 R HN 0.671 nan 8.270 nan 0.000 0.463 376 V N -6.007 113.918 119.914 0.019 0.000 3.229 376 V HA 0.305 4.425 4.120 0.000 0.000 0.239 376 V C 1.989 178.093 176.094 0.016 0.000 1.390 376 V CA 0.587 62.898 62.300 0.019 0.000 1.231 376 V CB -0.682 31.153 31.823 0.020 0.000 1.025 376 V HN 0.139 nan 8.190 nan 0.000 0.461 377 G N 1.380 110.187 108.800 0.011 0.000 2.681 377 G HA2 -0.347 3.613 3.960 0.000 0.000 0.224 377 G HA3 -0.347 3.613 3.960 0.000 0.000 0.224 377 G C 1.555 176.459 174.900 0.007 0.000 1.100 377 G CA 1.970 47.073 45.100 0.004 0.000 0.743 377 G HN 0.563 nan 8.290 nan 0.000 0.612 378 S N 0.737 116.446 115.700 0.015 0.000 2.370 378 S HA -0.007 4.463 4.470 0.000 0.000 0.226 378 S C 2.471 177.083 174.600 0.019 0.000 1.033 378 S CA 1.094 59.305 58.200 0.018 0.000 1.011 378 S CB -0.330 62.883 63.200 0.021 0.000 0.852 378 S HN 0.685 nan 8.310 nan 0.000 0.457 379 A N -0.174 122.660 122.820 0.023 0.000 2.250 379 A HA 0.570 4.890 4.320 0.000 0.000 0.208 379 A C 1.373 178.982 177.584 0.043 0.000 1.254 379 A CA 0.874 52.930 52.037 0.033 0.000 0.858 379 A CB -0.474 18.547 19.000 0.035 0.000 0.820 379 A HN 0.472 nan 8.150 nan 0.000 0.484 380 A N -1.593 121.240 122.820 0.021 0.000 2.591 380 A HA 0.267 4.587 4.320 0.000 0.000 0.204 380 A C 0.733 178.304 177.584 -0.022 0.000 1.410 380 A CA 0.089 52.125 52.037 -0.002 0.000 1.065 380 A CB -0.200 18.782 19.000 -0.031 0.000 1.362 380 A HN 0.475 nan 8.150 nan 0.000 0.566 381 Q N 1.127 120.923 119.800 -0.007 0.000 2.364 381 Q HA 0.353 4.693 4.340 0.000 0.000 0.267 381 Q C -0.537 175.463 176.000 -0.000 0.000 0.999 381 Q CA -0.081 55.718 55.803 -0.006 0.000 0.886 381 Q CB 0.735 29.478 28.738 0.007 0.000 1.243 381 Q HN 0.229 nan 8.270 nan 0.000 0.415 382 V N 5.363 125.276 119.914 -0.002 0.000 2.509 382 V HA -0.120 4.000 4.120 0.000 0.000 0.297 382 V C 1.357 177.463 176.094 0.020 0.000 1.014 382 V CA 0.713 63.018 62.300 0.010 0.000 1.127 382 V CB 0.510 32.345 31.823 0.019 0.000 0.925 382 V HN 0.897 nan 8.190 nan 0.000 0.480 383 K N 3.766 124.179 120.400 0.021 0.000 2.288 383 K HA -0.057 4.263 4.320 0.000 0.000 0.201 383 K C 2.088 178.705 176.600 0.028 0.000 1.048 383 K CA 1.138 57.440 56.287 0.024 0.000 0.956 383 K CB -0.061 32.453 32.500 0.023 0.000 0.746 383 K HN 0.870 nan 8.250 nan 0.000 0.461 384 A N 0.749 123.586 122.820 0.029 0.000 1.969 384 A HA -0.102 4.218 4.320 0.000 0.000 0.218 384 A C 1.934 179.543 177.584 0.041 0.000 1.169 384 A CA 1.015 53.071 52.037 0.031 0.000 0.635 384 A CB -0.334 18.681 19.000 0.026 0.000 0.810 384 A HN 0.224 nan 8.150 nan 0.000 0.445 385 L N -0.692 120.555 121.223 0.040 0.000 2.007 385 L HA -0.151 4.189 4.340 0.000 0.000 0.205 385 L C 2.628 179.524 176.870 0.043 0.000 1.073 385 L CA 1.748 56.615 54.840 0.045 0.000 0.744 385 L CB -0.400 41.682 42.059 0.039 0.000 0.898 385 L HN 0.404 nan 8.230 nan 0.000 0.435 386 K N 0.021 120.442 120.400 0.035 0.000 2.127 386 K HA -0.289 4.031 4.320 0.000 0.000 0.208 386 K C 2.025 178.646 176.600 0.036 0.000 1.047 386 K CA 1.899 58.206 56.287 0.032 0.000 0.927 386 K CB -0.013 32.504 32.500 0.028 0.000 0.716 386 K HN 0.415 nan 8.250 nan 0.000 0.450 387 Q N -0.155 119.670 119.800 0.042 0.000 2.049 387 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 387 Q C 2.112 178.150 176.000 0.064 0.000 0.971 387 Q CA 1.664 57.496 55.803 0.049 0.000 0.833 387 Q CB 0.046 28.814 28.738 0.051 0.000 0.896 387 Q HN 0.343 nan 8.270 nan 0.000 0.434 388 V N -2.026 117.939 119.914 0.085 0.000 2.809 388 V HA 0.104 4.224 4.120 0.000 0.000 0.256 388 V C 1.060 177.183 176.094 0.049 0.000 1.080 388 V CA 0.984 63.353 62.300 0.116 0.000 1.102 388 V CB -0.660 31.277 31.823 0.191 0.000 0.705 388 V HN 0.186 nan 8.190 nan 0.000 0.475 389 A N 1.008 123.848 122.820 0.034 0.000 2.969 389 A HA 0.725 5.045 4.320 0.000 0.000 0.328 389 A C 1.380 178.968 177.584 0.007 0.000 1.355 389 A CA 0.261 52.303 52.037 0.007 0.000 1.018 389 A CB -0.105 18.906 19.000 0.019 0.000 1.159 389 A HN 0.439 nan 8.150 nan 0.000 0.505 390 G N 0.644 109.439 108.800 -0.008 0.000 2.736 390 G HA2 -0.088 3.872 3.960 0.000 0.000 0.214 390 G HA3 -0.088 3.872 3.960 0.000 0.000 0.214 390 G C 1.226 176.134 174.900 0.013 0.000 1.327 390 G CA 1.425 46.526 45.100 0.001 0.000 0.818 390 G HN 0.576 nan 8.290 nan 0.000 0.611 391 S N 0.115 115.822 115.700 0.011 0.000 2.568 391 S HA 0.176 4.646 4.470 0.000 0.000 0.232 391 S C 1.650 176.301 174.600 0.086 0.000 0.975 391 S CA -0.486 57.743 58.200 0.050 0.000 0.949 391 S CB 0.481 63.721 63.200 0.066 0.000 0.829 391 S HN 0.265 nan 8.310 nan 0.000 0.479 392 L N 2.400 123.649 121.223 0.043 0.000 2.137 392 L HA -0.160 4.180 4.340 0.000 0.000 0.213 392 L C 2.074 179.034 176.870 0.151 0.000 1.085 392 L CA 1.826 56.707 54.840 0.068 0.000 0.760 392 L CB -0.306 41.754 42.059 0.002 0.000 0.893 392 L HN 0.108 nan 8.230 nan 0.000 0.434 393 K N -0.617 119.848 120.400 0.108 0.000 2.025 393 K HA -0.112 4.208 4.320 0.000 0.000 0.207 393 K C 1.953 178.621 176.600 0.114 0.000 1.049 393 K CA 1.750 58.098 56.287 0.102 0.000 0.933 393 K CB -0.408 32.134 32.500 0.071 0.000 0.714 393 K HN 0.401 nan 8.250 nan 0.000 0.438 394 L N -0.172 121.119 121.223 0.113 0.000 2.313 394 L HA 0.010 4.350 4.340 0.000 0.000 0.214 394 L C 1.966 178.913 176.870 0.129 0.000 1.119 394 L CA 0.435 55.334 54.840 0.098 0.000 0.809 394 L CB -0.295 41.811 42.059 0.078 0.000 0.933 394 L HN 0.169 nan 8.230 nan 0.000 0.449 395 F N 0.599 120.569 119.950 0.035 0.000 2.031 395 F HA -0.222 4.305 4.527 0.000 0.000 0.295 395 F C 2.041 177.898 175.800 0.096 0.000 1.133 395 F CA 1.720 59.746 58.000 0.044 0.000 1.188 395 F CB -0.135 38.873 39.000 0.012 0.000 0.974 395 F HN -0.150 nan 8.300 nan 0.000 0.473 396 L N -0.020 121.354 121.223 0.252 0.000 2.376 396 L HA -0.070 4.270 4.340 0.000 0.000 0.219 396 L C 2.531 179.474 176.870 0.121 0.000 1.133 396 L CA 0.707 55.677 54.840 0.217 0.000 0.816 396 L CB -0.993 41.234 42.059 0.280 0.000 0.933 396 L HN 0.285 nan 8.230 nan 0.000 0.449 397 A N -0.575 122.289 122.820 0.073 0.000 2.014 397 A HA -0.145 4.176 4.320 0.000 0.000 0.218 397 A C 2.206 179.777 177.584 -0.021 0.000 1.163 397 A CA 1.120 53.176 52.037 0.031 0.000 0.652 397 A CB -0.109 18.912 19.000 0.035 0.000 0.808 397 A HN 0.476 nan 8.150 nan 0.000 0.449 398 Q N -2.629 117.135 119.800 -0.059 0.000 2.396 398 Q HA 0.035 4.375 4.340 0.000 0.000 0.220 398 Q C 1.772 177.679 176.000 -0.155 0.000 0.900 398 Q CA 0.600 56.338 55.803 -0.108 0.000 0.925 398 Q CB -0.085 28.588 28.738 -0.109 0.000 1.065 398 Q HN 0.816 nan 8.270 nan 0.000 0.535 399 Y N 1.584 121.677 120.300 -0.344 0.000 2.181 399 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 399 Y C 1.991 177.802 175.900 -0.147 0.000 1.146 399 Y CA 1.494 59.388 58.100 -0.343 0.000 1.164 399 Y CB 0.021 38.195 38.460 -0.477 0.000 0.982 399 Y HN -0.168 nan 8.280 nan 0.000 0.515 400 R N 0.373 120.637 120.500 -0.393 0.000 2.280 400 R HA -0.093 4.247 4.340 0.000 0.000 0.207 400 R C 2.033 178.193 176.300 -0.233 0.000 1.043 400 R CA 0.954 56.809 56.100 -0.408 0.000 1.006 400 R CB -0.093 30.112 30.300 -0.159 0.000 0.885 400 R HN 0.532 nan 8.270 nan 0.000 0.467 401 E N -0.491 119.605 120.200 -0.173 0.000 2.208 401 E HA -0.107 4.243 4.350 0.000 0.000 0.193 401 E C 1.575 178.119 176.600 -0.092 0.000 0.988 401 E CA 0.934 57.268 56.400 -0.110 0.000 0.828 401 E CB 0.412 30.040 29.700 -0.121 0.000 0.763 401 E HN 0.148 nan 8.360 nan 0.000 0.478 402 V N 0.558 120.382 119.914 -0.150 0.000 2.500 402 V HA -0.051 4.069 4.120 0.000 0.000 0.243 402 V C 2.277 178.322 176.094 -0.082 0.000 1.039 402 V CA 1.266 63.516 62.300 -0.084 0.000 1.053 402 V CB -0.337 31.444 31.823 -0.071 0.000 0.695 402 V HN 0.219 nan 8.190 nan 0.000 0.463 403 A N 0.535 123.193 122.820 -0.271 0.000 1.948 403 A HA -0.187 4.133 4.320 0.000 0.000 0.220 403 A C 2.360 179.880 177.584 -0.105 0.000 1.177 403 A CA 2.381 54.269 52.037 -0.250 0.000 0.636 403 A CB -0.684 17.995 19.000 -0.535 0.000 0.815 403 A HN 0.575 nan 8.150 nan 0.000 0.449 404 A N -1.912 120.868 122.820 -0.067 0.000 1.929 404 A HA 0.144 4.464 4.320 0.000 0.000 0.216 404 A C 1.650 179.241 177.584 0.012 0.000 1.176 404 A CA 1.039 53.071 52.037 -0.010 0.000 0.628 404 A CB -0.505 18.513 19.000 0.030 0.000 0.816 404 A HN 0.441 nan 8.150 nan 0.000 0.444 405 F N -0.209 119.694 119.950 -0.077 0.000 2.769 405 F HA 0.294 4.821 4.527 0.000 0.000 0.304 405 F C 2.096 177.869 175.800 -0.045 0.000 1.158 405 F CA 0.241 58.208 58.000 -0.054 0.000 1.398 405 F CB 0.091 39.060 39.000 -0.052 0.000 1.094 405 F HN 0.270 nan 8.300 nan 0.000 0.553 406 A N -1.201 121.653 122.820 0.056 0.000 1.997 406 A HA 0.060 4.380 4.320 0.000 0.000 0.212 406 A C 1.459 179.037 177.584 -0.009 0.000 1.178 406 A CA 0.153 52.206 52.037 0.027 0.000 0.698 406 A CB -0.128 18.883 19.000 0.020 0.000 0.842 406 A HN 0.267 nan 8.150 nan 0.000 0.458 412 L N 2.380 123.610 121.223 0.013 0.000 2.466 412 L HA 0.325 4.665 4.340 0.000 0.000 0.248 412 L C 0.249 177.127 176.870 0.014 0.000 1.240 412 L CA -0.467 54.380 54.840 0.013 0.000 1.180 412 L CB -0.072 41.993 42.059 0.010 0.000 1.413 412 L HN 0.355 nan 8.230 nan 0.000 0.406 413 D N 0.739 121.149 120.400 0.017 0.000 2.368 413 D HA 0.236 4.876 4.640 0.000 0.000 0.240 413 D C 0.835 177.144 176.300 0.015 0.000 1.169 413 D CA 0.464 54.473 54.000 0.016 0.000 0.906 413 D CB 1.604 42.416 40.800 0.019 0.000 1.187 413 D HN 0.370 nan 8.370 nan 0.000 0.435 414 A N 1.605 124.433 122.820 0.012 0.000 1.924 414 A HA -0.002 4.318 4.320 0.000 0.000 0.211 414 A C 2.038 179.630 177.584 0.012 0.000 1.198 414 A CA 1.001 53.044 52.037 0.010 0.000 0.657 414 A CB -0.607 18.397 19.000 0.007 0.000 0.852 414 A HN 0.496 nan 8.150 nan 0.000 0.454 415 S N 0.182 115.890 115.700 0.013 0.000 2.368 415 S HA -0.142 4.328 4.470 0.000 0.000 0.224 415 S C 2.106 176.720 174.600 0.024 0.000 1.029 415 S CA 2.363 60.572 58.200 0.015 0.000 0.988 415 S CB -0.617 62.590 63.200 0.012 0.000 0.838 415 S HN 0.749 nan 8.310 nan 0.000 0.462 416 T N -1.245 113.324 114.554 0.025 0.000 3.085 416 T HA 0.191 4.541 4.350 0.000 0.000 0.263 416 T C 1.621 176.349 174.700 0.046 0.000 1.127 416 T CA 0.579 62.700 62.100 0.036 0.000 1.103 416 T CB -0.204 68.682 68.868 0.030 0.000 0.921 416 T HN 0.318 nan 8.240 nan 0.000 0.510 417 K N 0.778 121.198 120.400 0.035 0.000 2.057 417 K HA -0.084 4.236 4.320 0.000 0.000 0.206 417 K C 2.557 179.177 176.600 0.033 0.000 1.050 417 K CA 1.280 57.587 56.287 0.033 0.000 0.935 417 K CB -0.110 32.402 32.500 0.020 0.000 0.715 417 K HN 0.463 nan 8.250 nan 0.000 0.439 418 Q N -0.197 119.620 119.800 0.028 0.000 2.137 418 Q HA -0.099 4.241 4.340 0.000 0.000 0.198 418 Q C 1.615 177.642 176.000 0.045 0.000 0.960 418 Q CA 1.774 57.590 55.803 0.021 0.000 0.847 418 Q CB 0.196 28.939 28.738 0.009 0.000 0.915 418 Q HN 0.382 nan 8.270 nan 0.000 0.448 419 T N -1.440 113.160 114.554 0.075 0.000 3.085 419 T HA -0.033 4.317 4.350 0.000 0.000 0.263 419 T C 1.552 176.334 174.700 0.137 0.000 1.127 419 T CA 0.323 62.502 62.100 0.132 0.000 1.103 419 T CB 0.055 68.997 68.868 0.124 0.000 0.921 419 T HN 0.190 nan 8.240 nan 0.000 0.510 420 L N 0.610 121.910 121.223 0.128 0.000 2.341 420 L HA 0.302 4.642 4.340 0.000 0.000 0.214 420 L C 2.393 179.339 176.870 0.125 0.000 1.115 420 L CA 0.614 55.572 54.840 0.197 0.000 0.820 420 L CB -0.070 42.078 42.059 0.148 0.000 0.944 420 L HN 0.097 nan 8.230 nan 0.000 0.452 421 V N -0.714 119.231 119.914 0.052 0.000 2.407 421 V HA -0.147 3.973 4.120 0.000 0.000 0.245 421 V C 2.674 178.740 176.094 -0.047 0.000 1.041 421 V CA 1.155 63.457 62.300 0.004 0.000 1.040 421 V CB -0.568 31.250 31.823 -0.009 0.000 0.671 421 V HN 0.366 nan 8.190 nan 0.000 0.455 422 R N 0.535 121.012 120.500 -0.037 0.000 2.103 422 R HA -0.146 4.194 4.340 0.000 0.000 0.242 422 R C 2.397 178.602 176.300 -0.158 0.000 1.142 422 R CA 1.716 57.776 56.100 -0.067 0.000 0.960 422 R CB -1.315 29.018 30.300 0.054 0.000 0.858 422 R HN 0.574 nan 8.270 nan 0.000 0.439 423 G N 0.911 109.465 108.800 -0.411 0.000 2.421 423 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 423 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 423 G C 1.285 175.913 174.900 -0.452 0.000 1.171 423 G CA 0.382 44.859 45.100 -1.038 0.000 0.775 423 G HN 0.369 nan 8.290 nan 0.000 0.543 424 E N 0.044 120.123 120.200 -0.202 0.000 2.160 424 E HA -0.120 4.230 4.350 0.000 0.000 0.195 424 E C 2.739 179.308 176.600 -0.052 0.000 0.991 424 E CA 0.529 56.916 56.400 -0.021 0.000 0.810 424 E CB 0.031 29.747 29.700 0.027 0.000 0.742 424 E HN 0.214 nan 8.360 nan 0.000 0.466 425 R N 0.028 120.470 120.500 -0.097 0.000 2.127 425 R HA 0.038 4.378 4.340 0.000 0.000 0.217 425 R C 2.342 178.584 176.300 -0.097 0.000 1.074 425 R CA 0.471 56.508 56.100 -0.105 0.000 0.991 425 R CB -0.435 29.783 30.300 -0.138 0.000 0.895 425 R HN 0.225 nan 8.270 nan 0.000 0.450 426 L N 0.265 121.425 121.223 -0.105 0.000 2.131 426 L HA -0.040 4.300 4.340 0.000 0.000 0.206 426 L C 2.112 178.970 176.870 -0.020 0.000 1.087 426 L CA 1.170 55.966 54.840 -0.074 0.000 0.767 426 L CB -0.434 41.575 42.059 -0.084 0.000 0.917 426 L HN 0.116 nan 8.230 nan 0.000 0.441 427 T N -1.333 113.219 114.554 -0.004 0.000 2.821 427 T HA -0.173 4.177 4.350 0.000 0.000 0.267 427 T C 1.892 176.609 174.700 0.027 0.000 1.046 427 T CA 0.870 62.997 62.100 0.046 0.000 1.139 427 T CB -0.107 68.823 68.868 0.103 0.000 0.871 427 T HN 0.237 nan 8.240 nan 0.000 0.454 428 Q N 0.520 120.324 119.800 0.007 0.000 2.084 428 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 428 Q C 2.451 178.454 176.000 0.006 0.000 0.978 428 Q CA 1.043 56.847 55.803 0.002 0.000 0.844 428 Q CB -0.658 28.073 28.738 -0.013 0.000 0.898 428 Q HN 0.416 nan 8.270 nan 0.000 0.426 429 L N 0.370 121.591 121.223 -0.002 0.000 2.046 429 L HA -0.106 4.234 4.340 0.000 0.000 0.208 429 L C 1.955 178.842 176.870 0.028 0.000 1.077 429 L CA 1.451 56.299 54.840 0.014 0.000 0.747 429 L CB -0.400 41.657 42.059 -0.002 0.000 0.896 429 L HN 0.128 nan 8.230 nan 0.000 0.432 430 L N -0.371 120.867 121.223 0.025 0.000 2.610 430 L HA -0.018 4.322 4.340 0.000 0.000 0.232 430 L C 0.693 177.581 176.870 0.030 0.000 1.149 430 L CA 0.100 54.960 54.840 0.034 0.000 0.872 430 L CB -0.607 41.477 42.059 0.042 0.000 0.992 430 L HN 0.151 nan 8.230 nan 0.000 0.447 431 K N 1.189 121.602 120.400 0.021 0.000 2.298 431 K HA 0.265 4.585 4.320 0.000 0.000 0.280 431 K C -0.211 176.394 176.600 0.007 0.000 1.032 431 K CA 0.083 56.375 56.287 0.007 0.000 0.958 431 K CB 0.942 33.440 32.500 -0.004 0.000 0.978 431 K HN 0.007 nan 8.250 nan 0.000 0.472 432 Q N 2.165 121.962 119.800 -0.005 0.000 2.315 432 Q HA 0.217 4.557 4.340 0.000 0.000 0.273 432 Q C -1.200 174.782 176.000 -0.030 0.000 1.053 432 Q CA -0.889 54.910 55.803 -0.006 0.000 0.817 432 Q CB 1.531 30.271 28.738 0.003 0.000 1.326 432 Q HN 0.460 nan 8.270 nan 0.000 0.423 433 N N 1.813 120.497 118.700 -0.026 0.000 2.453 433 N HA 0.030 4.770 4.740 0.000 0.000 0.253 433 N C -0.772 174.685 175.510 -0.089 0.000 1.252 433 N CA 0.139 53.161 53.050 -0.047 0.000 0.917 433 N CB 0.693 39.172 38.487 -0.012 0.000 1.117 433 N HN 0.504 nan 8.380 nan 0.000 0.442 434 Q N 0.588 120.278 119.800 -0.182 0.000 2.368 434 Q HA 0.088 4.428 4.340 0.000 0.000 0.237 434 Q C -0.424 175.371 176.000 -0.342 0.000 0.987 434 Q CA -0.324 55.239 55.803 -0.400 0.000 0.896 434 Q CB 0.324 28.632 28.738 -0.717 0.000 1.241 434 Q HN 0.606 nan 8.270 nan 0.000 0.485 435 Y N -0.666 119.620 120.300 -0.022 0.000 3.721 435 Y HA -0.254 4.296 4.550 0.000 0.000 0.218 435 Y C -0.388 175.517 175.900 0.010 0.000 1.188 435 Y CA 0.751 58.819 58.100 -0.052 0.000 1.607 435 Y CB -2.351 36.116 38.460 0.012 0.000 1.496 435 Y HN 0.329 nan 8.280 nan 0.000 0.626 436 S N -0.426 115.321 115.700 0.078 0.000 2.317 436 S HA 0.384 4.854 4.470 0.000 0.000 0.144 436 S C -2.535 172.087 174.600 0.037 0.000 1.660 436 S CA -0.980 57.262 58.200 0.070 0.000 1.273 436 S CB 1.428 64.664 63.200 0.060 0.000 1.330 436 S HN -0.038 nan 8.310 nan 0.000 0.395 437 P HA 0.343 nan 4.420 nan 0.000 0.275 437 P C -0.709 176.607 177.300 0.027 0.000 1.228 437 P CA -0.412 62.707 63.100 0.032 0.000 0.786 437 P CB 0.621 32.346 31.700 0.042 0.000 0.927 438 L N 1.482 122.722 121.223 0.029 0.000 2.322 438 L HA 0.612 4.952 4.340 0.000 0.000 0.279 438 L C 0.702 177.584 176.870 0.021 0.000 1.036 438 L CA -1.075 53.776 54.840 0.019 0.000 0.807 438 L CB 1.283 43.358 42.059 0.026 0.000 1.226 438 L HN 0.364 nan 8.230 nan 0.000 0.433 439 A N 1.513 124.326 122.820 -0.011 0.000 2.407 439 A HA 0.229 4.549 4.320 0.000 0.000 0.248 439 A C 1.217 178.815 177.584 0.023 0.000 1.082 439 A CA -0.146 51.880 52.037 -0.018 0.000 0.785 439 A CB 0.308 19.260 19.000 -0.081 0.000 1.020 439 A HN 0.882 nan 8.150 nan 0.000 0.489 440 T N 0.891 115.483 114.554 0.065 0.000 2.778 440 T HA -0.176 4.174 4.350 0.000 0.000 0.269 440 T C 1.745 176.465 174.700 0.034 0.000 1.050 440 T CA 1.865 64.004 62.100 0.066 0.000 1.137 440 T CB -0.197 68.729 68.868 0.096 0.000 0.860 440 T HN 0.898 nan 8.240 nan 0.000 0.468 441 E N 1.441 121.647 120.200 0.010 0.000 2.338 441 E HA -0.173 4.177 4.350 0.000 0.000 0.197 441 E C 1.392 177.978 176.600 -0.024 0.000 1.007 441 E CA 1.159 57.551 56.400 -0.014 0.000 0.849 441 E CB -0.152 29.527 29.700 -0.035 0.000 0.774 441 E HN 0.586 nan 8.360 nan 0.000 0.506 442 E N 0.316 120.507 120.200 -0.014 0.000 2.307 442 E HA 0.004 4.354 4.350 0.000 0.000 0.195 442 E C 2.066 178.683 176.600 0.028 0.000 0.975 442 E CA 0.236 56.628 56.400 -0.014 0.000 0.878 442 E CB 0.228 29.916 29.700 -0.021 0.000 0.845 442 E HN 0.320 nan 8.360 nan 0.000 0.488 443 Q N 0.403 120.227 119.800 0.040 0.000 2.137 443 Q HA -0.093 4.247 4.340 0.000 0.000 0.198 443 Q C 2.504 178.552 176.000 0.079 0.000 0.960 443 Q CA 1.503 57.343 55.803 0.062 0.000 0.847 443 Q CB -0.001 28.770 28.738 0.056 0.000 0.915 443 Q HN 0.263 nan 8.270 nan 0.000 0.448 444 V N -1.367 118.586 119.914 0.066 0.000 2.490 444 V HA -0.098 4.022 4.120 0.000 0.000 0.250 444 V C -0.964 175.201 176.094 0.118 0.000 1.061 444 V CA 1.033 63.380 62.300 0.078 0.000 1.064 444 V CB -1.927 29.925 31.823 0.049 0.000 0.670 444 V HN 0.167 nan 8.190 nan 0.000 0.461 445 P HA 0.045 nan 4.420 nan 0.000 0.218 445 P C 2.082 179.583 177.300 0.335 0.000 1.152 445 P CA 1.150 64.369 63.100 0.200 0.000 0.826 445 P CB -0.074 31.710 31.700 0.140 0.000 0.790 446 L N -1.217 120.172 121.223 0.277 0.000 2.046 446 L HA -0.157 4.183 4.340 0.000 0.000 0.208 446 L C 2.397 179.366 176.870 0.165 0.000 1.077 446 L CA 1.446 56.436 54.840 0.250 0.000 0.747 446 L CB -0.889 41.288 42.059 0.198 0.000 0.896 446 L HN -0.098 nan 8.230 nan 0.000 0.432 447 I N -1.524 119.131 120.570 0.141 0.000 2.315 447 I HA -0.318 3.852 4.170 0.000 0.000 0.248 447 I C 2.514 178.689 176.117 0.097 0.000 1.117 447 I CA 1.220 62.573 61.300 0.088 0.000 1.404 447 I CB -0.282 37.763 38.000 0.074 0.000 1.071 447 I HN 0.148 nan 8.210 nan 0.000 0.419 448 Y N 1.631 121.959 120.300 0.048 0.000 2.097 448 Y HA -0.348 4.202 4.550 0.000 0.000 0.282 448 Y C 2.532 178.477 175.900 0.075 0.000 1.152 448 Y CA 1.781 59.915 58.100 0.057 0.000 1.136 448 Y CB -0.372 38.131 38.460 0.072 0.000 0.975 448 Y HN 0.131 nan 8.280 nan 0.000 0.498 449 A N -0.207 122.758 122.820 0.242 0.000 2.076 449 A HA -0.081 4.239 4.320 0.000 0.000 0.220 449 A C 2.292 179.866 177.584 -0.016 0.000 1.160 449 A CA 1.701 53.815 52.037 0.128 0.000 0.653 449 A CB -1.512 17.516 19.000 0.046 0.000 0.801 449 A HN 0.642 nan 8.150 nan 0.000 0.455 450 G N -0.846 107.918 108.800 -0.060 0.000 2.508 450 G HA2 0.053 4.013 3.960 0.000 0.000 0.212 450 G HA3 0.053 4.013 3.960 0.000 0.000 0.212 450 G C 1.404 176.180 174.900 -0.206 0.000 1.206 450 G CA 0.861 45.880 45.100 -0.136 0.000 0.822 450 G HN 0.250 nan 8.290 nan 0.000 0.550 451 V N 2.050 121.833 119.914 -0.218 0.000 2.453 451 V HA -0.198 3.922 4.120 0.000 0.000 0.252 451 V C 2.169 178.079 176.094 -0.307 0.000 1.068 451 V CA 1.742 63.867 62.300 -0.293 0.000 1.070 451 V CB -0.439 31.244 31.823 -0.233 0.000 0.664 451 V HN 0.376 nan 8.190 nan 0.000 0.461 452 N N -0.150 118.357 118.700 -0.321 0.000 2.336 452 N HA 0.095 4.835 4.740 0.000 0.000 0.189 452 N C 1.480 176.771 175.510 -0.364 0.000 1.113 452 N CA 0.955 53.787 53.050 -0.364 0.000 0.858 452 N CB 0.928 39.085 38.487 -0.550 0.000 0.970 452 N HN 0.614 nan 8.380 nan 0.000 0.471 453 G N 0.898 109.521 108.800 -0.295 0.000 2.137 453 G HA2 -0.270 3.690 3.960 0.000 0.000 0.237 453 G HA3 -0.270 3.690 3.960 0.000 0.000 0.237 453 G C 0.365 175.084 174.900 -0.301 0.000 1.002 453 G CA 0.219 45.152 45.100 -0.279 0.000 0.702 453 G HN 0.498 nan 8.290 nan 0.000 0.515 454 H N -0.843 118.125 119.070 -0.170 0.000 2.529 454 H HA 0.350 4.906 4.556 0.000 0.000 0.277 454 H C 2.489 177.683 175.328 -0.224 0.000 0.999 454 H CA 1.106 57.070 56.048 -0.139 0.000 1.256 454 H CB 0.205 29.923 29.762 -0.073 0.000 1.402 454 H HN 0.442 nan 8.280 nan 0.000 0.566 455 L N -0.124 120.979 121.223 -0.199 0.000 2.607 455 L HA 0.022 4.362 4.340 0.000 0.000 0.228 455 L C 1.001 177.725 176.870 -0.244 0.000 1.123 455 L CA 0.052 54.683 54.840 -0.349 0.000 0.890 455 L CB 0.382 42.198 42.059 -0.404 0.000 1.103 455 L HN 0.156 nan 8.230 nan 0.000 0.468 456 D N 0.368 120.662 120.400 -0.178 0.000 2.144 456 D HA -0.133 4.507 4.640 0.000 0.000 0.199 456 D C 2.149 178.384 176.300 -0.109 0.000 0.984 456 D CA 1.420 55.340 54.000 -0.134 0.000 0.834 456 D CB -0.049 40.679 40.800 -0.121 0.000 0.955 456 D HN 0.281 nan 8.370 nan 0.000 0.465 457 G N -0.381 108.356 108.800 -0.105 0.000 2.712 457 G HA2 0.070 4.030 3.960 0.000 0.000 0.212 457 G HA3 0.070 4.030 3.960 0.000 0.000 0.212 457 G C 0.578 175.433 174.900 -0.075 0.000 1.142 457 G CA -0.116 44.937 45.100 -0.077 0.000 0.789 457 G HN 0.188 nan 8.290 nan 0.000 0.535 458 I N 0.948 121.454 120.570 -0.107 0.000 2.396 458 I HA 0.208 4.379 4.170 0.000 0.000 0.292 458 I C 0.209 176.281 176.117 -0.075 0.000 0.999 458 I CA -0.683 60.562 61.300 -0.091 0.000 1.310 458 I CB 1.491 39.406 38.000 -0.142 0.000 1.404 458 I HN 0.013 nan 8.210 nan 0.000 0.496 459 E N 3.126 123.301 120.200 -0.041 0.000 2.436 459 E HA -0.069 4.281 4.350 0.000 0.000 0.262 459 E C 0.682 177.264 176.600 -0.029 0.000 1.063 459 E CA -0.318 56.065 56.400 -0.029 0.000 0.944 459 E CB 0.663 30.355 29.700 -0.013 0.000 0.950 459 E HN 0.431 nan 8.360 nan 0.000 0.444 460 L N 2.744 123.953 121.223 -0.023 0.000 2.131 460 L HA -0.194 4.146 4.340 0.000 0.000 0.210 460 L C 2.234 179.098 176.870 -0.010 0.000 1.092 460 L CA 2.036 56.864 54.840 -0.022 0.000 0.759 460 L CB -0.689 41.363 42.059 -0.012 0.000 0.903 460 L HN 0.624 nan 8.230 nan 0.000 0.435 461 S N -1.403 114.296 115.700 -0.001 0.000 2.428 461 S HA -0.090 4.380 4.470 0.000 0.000 0.230 461 S C 1.851 176.465 174.600 0.025 0.000 1.014 461 S CA 0.348 58.553 58.200 0.008 0.000 0.957 461 S CB -0.397 62.808 63.200 0.008 0.000 0.784 461 S HN 0.444 nan 8.310 nan 0.000 0.499 462 R N 0.563 121.081 120.500 0.030 0.000 2.320 462 R HA 0.290 4.630 4.340 0.000 0.000 0.211 462 R C 0.983 177.350 176.300 0.112 0.000 0.931 462 R CA -0.034 56.107 56.100 0.069 0.000 1.071 462 R CB -0.159 30.182 30.300 0.069 0.000 1.025 462 R HN 0.443 nan 8.270 nan 0.000 0.495 463 I N -0.393 120.214 120.570 0.061 0.000 2.500 463 I HA -0.054 4.116 4.170 0.000 0.000 0.252 463 I C 2.279 178.484 176.117 0.147 0.000 1.142 463 I CA 1.103 62.445 61.300 0.070 0.000 1.451 463 I CB -1.359 36.628 38.000 -0.022 0.000 1.093 463 I HN 0.149 nan 8.210 nan 0.000 0.430 464 G N 0.647 109.507 108.800 0.100 0.000 2.402 464 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 464 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 464 G C 1.624 176.594 174.900 0.116 0.000 1.162 464 G CA 0.524 45.679 45.100 0.092 0.000 0.777 464 G HN 0.457 nan 8.290 nan 0.000 0.539 465 E N -0.400 119.878 120.200 0.130 0.000 2.072 465 E HA -0.109 4.241 4.350 0.000 0.000 0.190 465 E C 2.077 178.797 176.600 0.201 0.000 0.982 465 E CA 0.517 57.000 56.400 0.138 0.000 0.803 465 E CB -0.239 29.534 29.700 0.122 0.000 0.755 465 E HN 0.375 nan 8.360 nan 0.000 0.453 466 F N 2.257 122.272 119.950 0.108 0.000 2.126 466 F HA -0.211 4.316 4.527 0.000 0.000 0.299 466 F C 2.219 178.092 175.800 0.121 0.000 1.096 466 F CA 2.134 60.236 58.000 0.170 0.000 1.255 466 F CB -0.245 38.826 39.000 0.118 0.000 0.997 466 F HN 0.059 nan 8.300 nan 0.000 0.479 467 E N 0.107 120.478 120.200 0.284 0.000 2.058 467 E HA -0.247 4.103 4.350 0.000 0.000 0.194 467 E C 2.239 178.851 176.600 0.020 0.000 0.997 467 E CA 1.919 58.420 56.400 0.169 0.000 0.801 467 E CB -0.272 29.539 29.700 0.185 0.000 0.746 467 E HN 0.556 nan 8.360 nan 0.000 0.450 468 S N -0.410 115.306 115.700 0.026 0.000 2.428 468 S HA -0.025 4.445 4.470 0.000 0.000 0.230 468 S C 2.130 176.701 174.600 -0.049 0.000 1.014 468 S CA 1.065 59.262 58.200 -0.005 0.000 0.957 468 S CB 0.106 63.321 63.200 0.024 0.000 0.784 468 S HN 0.071 nan 8.310 nan 0.000 0.499 469 S N 0.839 116.501 115.700 -0.062 0.000 2.425 469 S HA 0.229 4.699 4.470 0.000 0.000 0.225 469 S C 1.228 175.568 174.600 -0.432 0.000 1.024 469 S CA 0.392 58.548 58.200 -0.074 0.000 0.951 469 S CB -0.430 62.884 63.200 0.190 0.000 0.796 469 S HN 0.557 nan 8.310 nan 0.000 0.498 470 F N 2.278 121.646 119.950 -0.970 0.000 2.325 470 F HA 0.164 4.691 4.527 -0.000 0.000 0.299 470 F C 1.533 177.017 175.800 -0.528 0.000 1.090 470 F CA 0.740 57.994 58.000 -1.244 0.000 1.392 470 F CB -0.279 37.906 39.000 -1.359 0.000 1.053 470 F HN 0.092 nan 8.300 nan 0.000 0.521 471 L N -1.161 119.863 121.223 -0.331 0.000 2.179 471 L HA -0.131 4.209 4.340 0.000 0.000 0.208 471 L C 2.394 179.136 176.870 -0.213 0.000 1.096 471 L CA 1.056 55.740 54.840 -0.261 0.000 0.779 471 L CB -0.820 41.163 42.059 -0.128 0.000 0.922 471 L HN -0.043 nan 8.230 nan 0.000 0.443 472 S N -0.899 114.706 115.700 -0.158 0.000 2.383 472 S HA -0.202 4.268 4.470 0.000 0.000 0.227 472 S C 1.887 176.449 174.600 -0.062 0.000 1.026 472 S CA 1.044 59.194 58.200 -0.084 0.000 0.981 472 S CB -0.390 62.794 63.200 -0.027 0.000 0.818 472 S HN 0.390 nan 8.310 nan 0.000 0.472 473 Y N 2.297 122.461 120.300 -0.226 0.000 2.200 473 Y HA 0.041 4.591 4.550 -0.000 0.000 0.290 473 Y C 1.817 177.624 175.900 -0.156 0.000 1.137 473 Y CA 1.043 59.048 58.100 -0.158 0.000 1.163 473 Y CB -0.377 37.981 38.460 -0.171 0.000 0.988 473 Y HN 0.121 nan 8.280 nan 0.000 0.518 474 L N -0.203 120.843 121.223 -0.295 0.000 2.141 474 L HA -0.189 4.151 4.340 0.000 0.000 0.209 474 L C 2.305 179.038 176.870 -0.228 0.000 1.094 474 L CA 1.439 56.087 54.840 -0.321 0.000 0.763 474 L CB -0.421 41.369 42.059 -0.449 0.000 0.908 474 L HN 0.134 nan 8.230 nan 0.000 0.437 475 K N 0.004 120.283 120.400 -0.201 0.000 2.005 475 K HA -0.064 4.256 4.320 0.000 0.000 0.206 475 K C 2.075 178.584 176.600 -0.151 0.000 1.044 475 K CA 1.602 57.797 56.287 -0.154 0.000 0.942 475 K CB -0.116 32.309 32.500 -0.125 0.000 0.727 475 K HN 0.261 nan 8.250 nan 0.000 0.439 476 S N -0.047 115.562 115.700 -0.152 0.000 2.631 476 S HA 0.115 4.585 4.470 0.000 0.000 0.217 476 S C 0.830 175.309 174.600 -0.201 0.000 0.958 476 S CA 0.320 58.435 58.200 -0.142 0.000 0.920 476 S CB 0.008 63.150 63.200 -0.095 0.000 0.776 476 S HN 0.167 nan 8.310 nan 0.000 0.517 477 N N 0.781 119.301 118.700 -0.301 0.000 3.419 477 N HA 0.197 4.937 4.740 0.000 0.000 0.224 477 N C 0.244 175.474 175.510 -0.466 0.000 1.114 477 N CA -0.091 52.684 53.050 -0.458 0.000 1.144 477 N CB 0.037 38.077 38.487 -0.745 0.000 1.459 477 N HN 0.277 nan 8.380 nan 0.000 0.632 478 H N 1.063 119.933 119.070 -0.334 0.000 2.842 478 H HA 0.146 4.702 4.556 0.000 0.000 0.312 478 H C 0.399 175.607 175.328 -0.201 0.000 1.137 478 H CA 0.074 55.973 56.048 -0.249 0.000 1.176 478 H CB -0.288 29.312 29.762 -0.269 0.000 1.361 478 H HN 0.284 nan 8.280 nan 0.000 0.557 479 N N 1.619 120.246 118.700 -0.123 0.000 2.192 479 N HA -0.181 4.559 4.740 0.000 0.000 0.188 479 N C 1.541 177.001 175.510 -0.082 0.000 1.013 479 N CA 1.257 54.242 53.050 -0.107 0.000 0.863 479 N CB 0.212 38.632 38.487 -0.111 0.000 0.990 479 N HN 0.514 nan 8.380 nan 0.000 0.430 480 E N -0.376 119.781 120.200 -0.071 0.000 2.150 480 E HA -0.099 4.251 4.350 0.000 0.000 0.193 480 E C 1.894 178.465 176.600 -0.049 0.000 0.985 480 E CA 0.733 57.099 56.400 -0.056 0.000 0.814 480 E CB -0.069 29.601 29.700 -0.051 0.000 0.752 480 E HN 0.456 nan 8.360 nan 0.000 0.466 481 L N 0.466 121.661 121.223 -0.047 0.000 2.056 481 L HA -0.156 4.184 4.340 0.000 0.000 0.207 481 L C 2.389 179.218 176.870 -0.067 0.000 1.078 481 L CA 0.964 55.770 54.840 -0.056 0.000 0.749 481 L CB -0.654 41.364 42.059 -0.070 0.000 0.901 481 L HN 0.145 nan 8.230 nan 0.000 0.433 482 L N -0.454 120.722 121.223 -0.078 0.000 2.201 482 L HA -0.112 4.228 4.340 0.000 0.000 0.212 482 L C 2.606 179.438 176.870 -0.062 0.000 1.105 482 L CA 1.127 55.920 54.840 -0.079 0.000 0.775 482 L CB -1.082 40.918 42.059 -0.098 0.000 0.913 482 L HN 0.281 nan 8.230 nan 0.000 0.440 483 T N -1.034 113.485 114.554 -0.058 0.000 2.812 483 T HA -0.136 4.214 4.350 0.000 0.000 0.264 483 T C 1.720 176.398 174.700 -0.036 0.000 1.042 483 T CA 1.063 63.134 62.100 -0.048 0.000 1.140 483 T CB -0.140 68.700 68.868 -0.048 0.000 0.870 483 T HN 0.367 nan 8.240 nan 0.000 0.445 484 E N 0.691 120.870 120.200 -0.036 0.000 2.110 484 E HA -0.054 4.296 4.350 0.000 0.000 0.193 484 E C 2.137 178.724 176.600 -0.022 0.000 0.988 484 E CA 0.831 57.215 56.400 -0.027 0.000 0.804 484 E CB -0.310 29.372 29.700 -0.029 0.000 0.745 484 E HN 0.498 nan 8.360 nan 0.000 0.458 485 I N 0.656 121.209 120.570 -0.028 0.000 2.202 485 I HA -0.263 3.907 4.170 0.000 0.000 0.242 485 I C 2.761 178.875 176.117 -0.006 0.000 1.091 485 I CA 0.909 62.197 61.300 -0.019 0.000 1.368 485 I CB -0.277 37.706 38.000 -0.028 0.000 1.058 485 I HN 0.036 nan 8.210 nan 0.000 0.410 486 R N 1.271 121.764 120.500 -0.013 0.000 2.094 486 R HA -0.217 4.123 4.340 0.000 0.000 0.239 486 R C 1.970 178.279 176.300 0.015 0.000 1.137 486 R CA 2.089 58.188 56.100 -0.003 0.000 0.943 486 R CB -0.158 30.125 30.300 -0.027 0.000 0.850 486 R HN 0.429 nan 8.270 nan 0.000 0.433 487 E N -0.697 119.506 120.200 0.005 0.000 2.318 487 E HA -0.035 4.315 4.350 0.000 0.000 0.193 487 E C 1.884 178.494 176.600 0.017 0.000 0.998 487 E CA 0.324 56.732 56.400 0.013 0.000 0.859 487 E CB 0.345 30.046 29.700 0.002 0.000 0.812 487 E HN 0.256 nan 8.360 nan 0.000 0.492 488 K N -0.275 120.132 120.400 0.012 0.000 2.166 488 K HA 0.013 4.333 4.320 0.000 0.000 0.201 488 K C 1.148 177.760 176.600 0.020 0.000 1.052 488 K CA 0.783 57.078 56.287 0.013 0.000 0.969 488 K CB 0.437 32.941 32.500 0.006 0.000 0.761 488 K HN 0.221 nan 8.250 nan 0.000 0.459 489 G N 2.137 110.950 108.800 0.022 0.000 2.160 489 G HA2 -0.252 3.708 3.960 0.000 0.000 0.251 489 G HA3 -0.252 3.708 3.960 0.000 0.000 0.251 489 G C -0.163 174.750 174.900 0.021 0.000 1.008 489 G CA 0.659 45.775 45.100 0.027 0.000 0.724 489 G HN 0.389 nan 8.290 nan 0.000 0.514 490 E N -1.651 118.558 120.200 0.015 0.000 2.458 490 E HA 0.667 5.017 4.350 0.000 0.000 0.278 490 E C -0.923 175.681 176.600 0.007 0.000 1.004 490 E CA -1.028 55.381 56.400 0.014 0.000 0.823 490 E CB 1.660 31.368 29.700 0.014 0.000 1.396 490 E HN 0.114 nan 8.360 nan 0.000 0.463 491 L N 1.872 123.100 121.223 0.009 0.000 2.343 491 L HA 0.309 4.649 4.340 0.000 0.000 0.278 491 L C 0.020 176.893 176.870 0.005 0.000 0.996 491 L CA -0.525 54.315 54.840 0.001 0.000 0.831 491 L CB 1.717 43.779 42.059 0.004 0.000 1.232 491 L HN 0.506 nan 8.230 nan 0.000 0.413 492 S N 1.866 117.565 115.700 -0.001 0.000 2.614 492 S HA 0.282 4.752 4.470 0.000 0.000 0.265 492 S C 0.942 175.545 174.600 0.004 0.000 1.303 492 S CA -0.674 57.528 58.200 0.003 0.000 1.000 492 S CB 1.433 64.633 63.200 0.000 0.000 0.935 492 S HN 0.616 nan 8.310 nan 0.000 0.551 493 K N 0.476 120.881 120.400 0.009 0.000 2.103 493 K HA -0.192 4.128 4.320 0.000 0.000 0.207 493 K C 2.113 178.717 176.600 0.008 0.000 1.048 493 K CA 1.794 58.089 56.287 0.014 0.000 0.930 493 K CB -0.291 32.219 32.500 0.017 0.000 0.716 493 K HN 0.787 nan 8.250 nan 0.000 0.444 494 E N 1.484 121.686 120.200 0.003 0.000 2.038 494 E HA -0.212 4.138 4.350 0.000 0.000 0.195 494 E C 1.819 178.411 176.600 -0.013 0.000 1.000 494 E CA 1.134 57.533 56.400 -0.002 0.000 0.803 494 E CB -0.286 29.412 29.700 -0.002 0.000 0.750 494 E HN 0.142 nan 8.360 nan 0.000 0.448 495 L N 0.136 121.346 121.223 -0.020 0.000 2.131 495 L HA -0.016 4.324 4.340 0.000 0.000 0.210 495 L C 2.194 179.025 176.870 -0.066 0.000 1.092 495 L CA 1.516 56.333 54.840 -0.039 0.000 0.759 495 L CB -0.722 41.315 42.059 -0.036 0.000 0.903 495 L HN 0.407 nan 8.230 nan 0.000 0.435 496 L N -0.157 121.035 121.223 -0.051 0.000 2.093 496 L HA -0.024 4.316 4.340 0.000 0.000 0.208 496 L C 2.384 179.206 176.870 -0.080 0.000 1.085 496 L CA 2.001 56.798 54.840 -0.071 0.000 0.755 496 L CB -0.950 41.110 42.059 0.001 0.000 0.904 496 L HN 0.236 nan 8.230 nan 0.000 0.435 497 A N -1.847 120.956 122.820 -0.028 0.000 1.968 497 A HA -0.115 4.205 4.320 0.000 0.000 0.217 497 A C 2.460 180.027 177.584 -0.030 0.000 1.169 497 A CA 1.392 53.427 52.037 -0.004 0.000 0.638 497 A CB -0.825 18.185 19.000 0.017 0.000 0.812 497 A HN 0.472 nan 8.150 nan 0.000 0.446 498 S N -0.869 114.800 115.700 -0.051 0.000 2.447 498 S HA -0.072 4.398 4.470 0.000 0.000 0.233 498 S C 1.781 176.309 174.600 -0.120 0.000 1.006 498 S CA 1.189 59.355 58.200 -0.058 0.000 0.957 498 S CB -0.375 62.798 63.200 -0.045 0.000 0.773 498 S HN 0.448 nan 8.310 nan 0.000 0.507 499 L N 1.740 122.851 121.223 -0.187 0.000 2.109 499 L HA 0.168 4.508 4.340 0.000 0.000 0.207 499 L C 2.142 178.847 176.870 -0.274 0.000 1.086 499 L CA 1.763 56.420 54.840 -0.306 0.000 0.760 499 L CB -0.609 41.143 42.059 -0.511 0.000 0.910 499 L HN 0.146 nan 8.230 nan 0.000 0.437 500 K N -1.172 119.128 120.400 -0.167 0.000 2.032 500 K HA -0.153 4.167 4.320 0.000 0.000 0.209 500 K C 2.099 178.726 176.600 0.044 0.000 1.048 500 K CA 1.735 58.049 56.287 0.046 0.000 0.927 500 K CB -0.058 32.529 32.500 0.145 0.000 0.712 500 K HN 0.341 nan 8.250 nan 0.000 0.441 501 S N 0.306 116.015 115.700 0.016 0.000 2.345 501 S HA -0.122 4.348 4.470 0.000 0.000 0.220 501 S C 2.030 176.641 174.600 0.019 0.000 1.031 501 S CA 1.120 59.342 58.200 0.037 0.000 0.996 501 S CB -0.318 62.905 63.200 0.039 0.000 0.882 501 S HN 0.505 nan 8.310 nan 0.000 0.445 502 A N 1.330 124.089 122.820 -0.101 0.000 1.986 502 A HA -0.163 4.157 4.320 0.000 0.000 0.220 502 A C 2.267 179.912 177.584 0.102 0.000 1.171 502 A CA 2.202 54.096 52.037 -0.238 0.000 0.640 502 A CB -1.266 17.409 19.000 -0.541 0.000 0.811 502 A HN 0.533 nan 8.150 nan 0.000 0.451 503 T N -0.381 114.251 114.554 0.130 0.000 2.809 503 T HA -0.075 4.276 4.350 0.000 0.000 0.260 503 T C 1.729 176.514 174.700 0.142 0.000 1.039 503 T CA 1.342 63.584 62.100 0.237 0.000 1.141 503 T CB -0.235 68.593 68.868 -0.067 0.000 0.869 503 T HN 0.637 nan 8.240 nan 0.000 0.437 504 E N 1.096 121.335 120.200 0.065 0.000 2.204 504 E HA -0.033 4.317 4.350 0.000 0.000 0.194 504 E C 2.437 179.115 176.600 0.131 0.000 0.989 504 E CA 0.666 57.140 56.400 0.124 0.000 0.824 504 E CB -0.051 29.740 29.700 0.152 0.000 0.756 504 E HN 0.320 nan 8.360 nan 0.000 0.477 505 S N 0.583 116.378 115.700 0.157 0.000 2.368 505 S HA -0.126 4.344 4.470 0.000 0.000 0.224 505 S C 1.553 176.191 174.600 0.064 0.000 1.029 505 S CA 0.761 59.055 58.200 0.156 0.000 0.988 505 S CB -0.201 63.168 63.200 0.283 0.000 0.838 505 S HN 0.296 nan 8.310 nan 0.000 0.462 506 F N 2.263 122.151 119.950 -0.103 0.000 2.163 506 F HA -0.027 4.500 4.527 0.000 0.000 0.297 506 F C 2.086 177.838 175.800 -0.079 0.000 1.094 506 F CA 0.768 58.603 58.000 -0.275 0.000 1.290 506 F CB -0.452 38.430 39.000 -0.197 0.000 1.017 506 F HN -0.067 nan 8.300 nan 0.000 0.483 507 V N 0.661 120.611 119.914 0.060 0.000 2.469 507 V HA -0.319 3.801 4.120 0.000 0.000 0.251 507 V C 2.680 178.724 176.094 -0.084 0.000 1.064 507 V CA 1.759 64.072 62.300 0.021 0.000 1.066 507 V CB -1.550 30.359 31.823 0.143 0.000 0.667 507 V HN 0.479 nan 8.190 nan 0.000 0.461 508 A N -1.163 121.620 122.820 -0.063 0.000 2.067 508 A HA -0.054 4.266 4.320 0.000 0.000 0.219 508 A C 1.629 179.142 177.584 -0.118 0.000 1.158 508 A CA 1.722 53.723 52.037 -0.060 0.000 0.661 508 A CB -0.301 18.692 19.000 -0.011 0.000 0.801 508 A HN 0.528 nan 8.150 nan 0.000 0.452 509 T N 0.000 114.417 114.554 -0.228 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.948 62.100 -0.253 0.000 1.349 509 T CB 0.000 68.726 68.868 -0.237 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658