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 3oeh_1_A 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 AQXXSDLDAS 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 0.000 175.499 175.510 -0.018 0.000 1.280 26 N CA 0.000 53.046 53.050 -0.006 0.000 0.885 26 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 27 L N 0.168 121.374 121.223 -0.027 0.000 4.235 27 L HA -0.280 4.060 4.340 -0.000 0.000 0.385 27 L C 0.712 177.529 176.870 -0.089 0.000 0.733 27 L CA 1.490 56.294 54.840 -0.060 0.000 2.629 27 L CB -1.565 40.458 42.059 -0.060 0.000 1.001 27 L HN 0.323 nan 8.230 nan 0.000 0.662 28 N N 0.182 118.842 118.700 -0.067 0.000 2.290 28 N HA -0.055 4.685 4.740 -0.000 0.000 0.179 28 N C 1.401 176.870 175.510 -0.068 0.000 1.016 28 N CA 1.459 54.468 53.050 -0.069 0.000 0.871 28 N CB 0.077 38.534 38.487 -0.051 0.000 0.987 28 N HN 0.498 nan 8.380 nan 0.000 0.431 29 E N -0.188 119.977 120.200 -0.058 0.000 2.460 29 E HA 0.094 4.444 4.350 -0.000 0.000 0.200 29 E C 0.338 176.897 176.600 -0.069 0.000 1.011 29 E CA 0.272 56.637 56.400 -0.058 0.000 0.912 29 E CB 0.596 30.270 29.700 -0.044 0.000 0.953 29 E HN 0.355 nan 8.360 nan 0.000 0.494 30 T N -1.787 112.727 114.554 -0.067 0.000 2.916 30 T HA 0.788 5.138 4.350 -0.000 0.000 0.292 30 T C 0.260 174.916 174.700 -0.073 0.000 1.064 30 T CA -0.786 61.273 62.100 -0.068 0.000 1.011 30 T CB 2.520 71.363 68.868 -0.041 0.000 1.152 30 T HN 0.010 nan 8.240 nan 0.000 0.510 31 G N 0.240 109.001 108.800 -0.065 0.000 2.690 31 G HA2 0.648 4.608 3.960 -0.000 0.000 0.291 31 G HA3 0.648 4.608 3.960 -0.000 0.000 0.291 31 G C -1.434 173.484 174.900 0.030 0.000 1.403 31 G CA -1.054 44.029 45.100 -0.029 0.000 0.864 31 G HN 0.635 nan 8.290 nan 0.000 0.480 32 R N -0.221 120.350 120.500 0.119 0.000 2.604 32 R HA 0.537 4.877 4.340 -0.000 0.000 0.287 32 R C -0.481 175.908 176.300 0.148 0.000 0.970 32 R CA -0.830 55.347 56.100 0.129 0.000 0.946 32 R CB 1.998 32.382 30.300 0.140 0.000 1.127 32 R HN 0.301 nan 8.270 nan 0.000 0.473 33 V N 4.541 124.538 119.914 0.138 0.000 2.470 33 V HA 0.047 4.167 4.120 -0.000 0.000 0.276 33 V C 1.764 177.921 176.094 0.104 0.000 1.040 33 V CA 0.150 62.541 62.300 0.152 0.000 1.008 33 V CB 0.714 32.643 31.823 0.176 0.000 0.990 33 V HN 0.641 nan 8.190 nan 0.000 0.477 34 L N 4.254 125.540 121.223 0.104 0.000 2.084 34 L HA 0.344 4.684 4.340 -0.000 0.000 0.202 34 L C 1.007 177.901 176.870 0.039 0.000 1.074 34 L CA 1.441 56.318 54.840 0.062 0.000 0.757 34 L CB -0.029 42.076 42.059 0.076 0.000 0.918 34 L HN 0.769 nan 8.230 nan 0.000 0.444 35 A N -1.193 121.655 122.820 0.046 0.000 2.572 35 A HA 0.659 4.979 4.320 -0.000 0.000 0.295 35 A C -1.678 175.920 177.584 0.024 0.000 1.072 35 A CA -0.379 51.674 52.037 0.026 0.000 0.691 35 A CB 2.030 21.040 19.000 0.017 0.000 1.291 35 A HN -0.156 nan 8.150 nan 0.000 0.404 36 V N 0.168 120.084 119.914 0.002 0.000 2.888 36 V HA 0.960 5.080 4.120 -0.000 0.000 0.309 36 V C -0.242 175.836 176.094 -0.026 0.000 1.114 36 V CA 0.735 63.023 62.300 -0.020 0.000 0.940 36 V CB 1.987 33.776 31.823 -0.055 0.000 1.021 36 V HN 2.462 nan 8.190 nan 0.000 0.426 37 G N 3.180 111.962 108.800 -0.031 0.000 2.402 37 G HA2 0.473 4.433 3.960 -0.000 0.000 0.301 37 G HA3 0.473 4.433 3.960 -0.000 0.000 0.301 37 G C -0.889 173.997 174.900 -0.023 0.000 1.615 37 G CA 0.082 45.166 45.100 -0.027 0.000 0.889 37 G HN 1.063 nan 8.290 nan 0.000 0.647 38 D N -0.478 119.910 120.400 -0.020 0.000 2.772 38 D HA -0.150 4.489 4.640 -0.000 0.000 0.233 38 D C 1.680 177.974 176.300 -0.010 0.000 1.143 38 D CA 2.874 56.866 54.000 -0.014 0.000 0.700 38 D CB -1.220 39.572 40.800 -0.013 0.000 1.076 38 D HN 2.323 nan 8.370 nan 0.000 0.430 39 G N -1.140 107.650 108.800 -0.017 0.000 2.168 39 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 39 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 39 G C 0.276 175.173 174.900 -0.006 0.000 0.977 39 G CA 0.501 45.596 45.100 -0.008 0.000 0.659 39 G HN 0.504 nan 8.290 nan 0.000 0.533 40 I N 0.860 121.423 120.570 -0.012 0.000 2.412 40 I HA 0.702 4.872 4.170 -0.000 0.000 0.296 40 I C 0.483 176.598 176.117 -0.002 0.000 0.987 40 I CA -0.991 60.310 61.300 0.002 0.000 1.180 40 I CB 1.395 39.398 38.000 0.005 0.000 1.340 40 I HN 0.330 nan 8.210 nan 0.000 0.455 41 A N 7.203 130.044 122.820 0.036 0.000 2.304 41 A HA 0.669 4.989 4.320 -0.000 0.000 0.314 41 A C -0.130 177.523 177.584 0.116 0.000 1.187 41 A CA -0.734 51.349 52.037 0.077 0.000 0.810 41 A CB 0.749 19.831 19.000 0.135 0.000 1.183 41 A HN 0.706 nan 8.150 nan 0.000 0.487 42 R N 1.477 122.031 120.500 0.089 0.000 2.254 42 R HA 0.545 4.885 4.340 -0.000 0.000 0.318 42 R C -1.019 175.350 176.300 0.114 0.000 1.031 42 R CA -0.246 55.905 56.100 0.086 0.000 0.905 42 R CB 1.518 31.855 30.300 0.063 0.000 1.050 42 R HN 0.459 nan 8.270 nan 0.000 0.456 43 V N 4.326 124.306 119.914 0.109 0.000 2.680 43 V HA 0.346 4.466 4.120 -0.000 0.000 0.309 43 V C -0.749 175.427 176.094 0.137 0.000 1.052 43 V CA -0.867 61.505 62.300 0.120 0.000 0.908 43 V CB 1.802 33.665 31.823 0.067 0.000 1.001 43 V HN 0.535 nan 8.190 nan 0.000 0.431 44 F N 3.485 123.440 119.950 0.007 0.000 2.394 44 F HA 0.757 5.284 4.527 -0.000 0.000 0.340 44 F C 0.843 176.635 175.800 -0.013 0.000 1.105 44 F CA 1.280 59.279 58.000 -0.002 0.000 1.124 44 F CB 1.123 40.124 39.000 0.002 0.000 1.145 44 F HN 0.907 nan 8.300 nan 0.000 0.505 45 G N 4.172 112.533 108.800 -0.733 0.000 2.503 45 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 45 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 45 G C 0.093 174.835 174.900 -0.263 0.000 1.179 45 G CA -0.393 44.414 45.100 -0.488 0.000 0.944 45 G HN 1.418 nan 8.290 nan 0.000 0.580 46 L N -0.556 120.562 121.223 -0.174 0.000 3.678 46 L HA -0.219 4.121 4.340 -0.000 0.000 0.425 46 L C 1.433 178.229 176.870 -0.125 0.000 1.240 46 L CA 0.557 55.318 54.840 -0.132 0.000 0.876 46 L CB -1.577 40.409 42.059 -0.121 0.000 1.766 46 L HN 0.602 nan 8.230 nan 0.000 0.917 47 N N 0.287 118.905 118.700 -0.137 0.000 2.443 47 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 47 N C 1.260 176.722 175.510 -0.080 0.000 1.037 47 N CA 1.157 54.136 53.050 -0.118 0.000 0.896 47 N CB -0.114 38.300 38.487 -0.121 0.000 0.959 47 N HN 0.526 nan 8.380 nan 0.000 0.442 48 N N 0.205 118.862 118.700 -0.071 0.000 2.204 48 N HA 0.153 4.893 4.740 -0.000 0.000 0.219 48 N C -0.042 175.439 175.510 -0.048 0.000 1.151 48 N CA -0.165 52.854 53.050 -0.052 0.000 0.867 48 N CB 1.060 39.520 38.487 -0.045 0.000 1.043 48 N HN 0.263 nan 8.380 nan 0.000 0.516 49 I N 1.302 121.838 120.570 -0.057 0.000 2.696 49 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 49 I C 0.095 176.190 176.117 -0.036 0.000 1.129 49 I CA -0.207 61.062 61.300 -0.052 0.000 1.410 49 I CB 0.734 38.695 38.000 -0.065 0.000 1.399 49 I HN -0.039 nan 8.210 nan 0.000 0.579 50 Q N 5.464 125.247 119.800 -0.028 0.000 2.235 50 Q HA 0.458 4.798 4.340 -0.000 0.000 0.250 50 Q C -0.155 175.840 176.000 -0.008 0.000 0.909 50 Q CA -0.869 54.925 55.803 -0.015 0.000 0.910 50 Q CB 1.448 30.180 28.738 -0.009 0.000 1.223 50 Q HN 0.776 nan 8.270 nan 0.000 0.432 51 A N 2.803 125.623 122.820 -0.000 0.000 2.553 51 A HA -0.032 4.288 4.320 -0.000 0.000 0.258 51 A C 0.138 177.733 177.584 0.018 0.000 1.069 51 A CA 0.480 52.523 52.037 0.011 0.000 0.767 51 A CB -0.411 18.600 19.000 0.018 0.000 0.997 51 A HN 0.976 nan 8.150 nan 0.000 0.512 52 E N -0.180 120.037 120.200 0.027 0.000 3.303 52 E HA -0.186 4.164 4.350 -0.000 0.000 0.302 52 E C 0.076 176.698 176.600 0.037 0.000 0.902 52 E CA 1.032 57.460 56.400 0.047 0.000 1.042 52 E CB -1.517 28.216 29.700 0.054 0.000 1.528 52 E HN 0.961 nan 8.360 nan 0.000 0.424 53 E N 0.925 121.131 120.200 0.011 0.000 2.373 53 E HA 0.238 4.588 4.350 -0.000 0.000 0.267 53 E C -0.233 176.359 176.600 -0.013 0.000 1.032 53 E CA -0.454 55.945 56.400 -0.002 0.000 0.889 53 E CB 0.616 30.302 29.700 -0.023 0.000 0.984 53 E HN 0.113 nan 8.360 nan 0.000 0.425 54 L N 5.360 126.582 121.223 -0.002 0.000 2.453 54 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 54 L C -0.340 176.479 176.870 -0.085 0.000 1.182 54 L CA 0.316 55.138 54.840 -0.030 0.000 0.858 54 L CB 0.940 43.018 42.059 0.031 0.000 1.120 54 L HN 0.443 nan 8.230 nan 0.000 0.474 55 V N 1.478 121.299 119.914 -0.154 0.000 3.158 55 V HA 0.736 4.856 4.120 -0.000 0.000 0.315 55 V C -0.770 175.204 176.094 -0.201 0.000 1.148 55 V CA -0.810 61.367 62.300 -0.204 0.000 1.042 55 V CB 1.863 33.498 31.823 -0.313 0.000 1.101 55 V HN 0.849 nan 8.190 nan 0.000 0.448 56 E N 0.426 120.476 120.200 -0.251 0.000 2.263 56 E HA 0.532 4.882 4.350 -0.000 0.000 0.268 56 E C -1.898 174.572 176.600 -0.218 0.000 0.884 56 E CA -0.620 55.701 56.400 -0.132 0.000 0.766 56 E CB 1.807 31.474 29.700 -0.055 0.000 1.196 56 E HN 0.613 nan 8.360 nan 0.000 0.416 57 F N 1.554 121.489 119.950 -0.026 0.000 2.380 57 F HA 0.239 4.766 4.527 -0.000 0.000 0.319 57 F C 1.793 177.591 175.800 -0.004 0.000 1.113 57 F CA -0.330 57.661 58.000 -0.015 0.000 1.056 57 F CB 1.509 40.500 39.000 -0.015 0.000 1.289 57 F HN 0.497 nan 8.300 nan 0.000 0.515 58 S N -0.137 115.689 115.700 0.210 0.000 2.383 58 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 58 S C 2.005 176.664 174.600 0.099 0.000 1.030 58 S CA 1.628 59.897 58.200 0.114 0.000 1.002 58 S CB -0.493 62.764 63.200 0.095 0.000 0.829 58 S HN 0.702 nan 8.310 nan 0.000 0.467 59 S N 0.113 115.880 115.700 0.112 0.000 2.522 59 S HA 0.343 4.813 4.470 -0.000 0.000 0.227 59 S C 1.541 176.182 174.600 0.070 0.000 0.986 59 S CA 0.741 58.982 58.200 0.069 0.000 0.929 59 S CB 0.064 63.288 63.200 0.040 0.000 0.769 59 S HN 0.762 nan 8.310 nan 0.000 0.529 60 G N 0.106 108.966 108.800 0.099 0.000 2.211 60 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.201 60 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.201 60 G C 0.059 175.024 174.900 0.110 0.000 0.997 60 G CA -0.139 45.015 45.100 0.090 0.000 0.652 60 G HN 0.812 nan 8.290 nan 0.000 0.500 61 V N 1.779 121.768 119.914 0.125 0.000 2.614 61 V HA 0.586 4.706 4.120 -0.000 0.000 0.291 61 V C 0.689 176.920 176.094 0.229 0.000 1.049 61 V CA 0.082 62.461 62.300 0.132 0.000 1.038 61 V CB 0.987 32.830 31.823 0.033 0.000 0.980 61 V HN 0.341 nan 8.190 nan 0.000 0.481 62 K N 4.227 124.733 120.400 0.177 0.000 2.240 62 K HA 0.872 5.192 4.320 -0.000 0.000 0.237 62 K C -0.025 176.497 176.600 -0.129 0.000 1.027 62 K CA -0.162 56.177 56.287 0.087 0.000 0.937 62 K CB 1.661 34.215 32.500 0.091 0.000 1.171 62 K HN 0.962 nan 8.250 nan 0.000 0.479 63 G N 0.269 108.795 108.800 -0.456 0.000 2.466 63 G HA2 0.423 4.383 3.960 -0.000 0.000 0.291 63 G HA3 0.423 4.383 3.960 -0.000 0.000 0.291 63 G C -1.689 172.855 174.900 -0.593 0.000 1.460 63 G CA -0.994 43.663 45.100 -0.738 0.000 0.791 63 G HN 0.555 nan 8.290 nan 0.000 0.505 64 M N 0.194 119.546 119.600 -0.415 0.000 2.326 64 M HA 0.814 5.294 4.480 -0.000 0.000 0.306 64 M C -0.004 176.284 176.300 -0.019 0.000 1.054 64 M CA -0.965 54.256 55.300 -0.131 0.000 0.922 64 M CB 2.475 35.108 32.600 0.055 0.000 1.632 64 M HN 1.105 nan 8.290 nan 0.000 0.436 65 A N 4.777 127.585 122.820 -0.020 0.000 2.541 65 A HA 0.311 4.631 4.320 -0.000 0.000 0.293 65 A C 0.639 178.236 177.584 0.023 0.000 1.307 65 A CA -0.335 51.699 52.037 -0.005 0.000 0.978 65 A CB -0.545 18.441 19.000 -0.025 0.000 1.111 65 A HN 1.041 nan 8.150 nan 0.000 0.535 66 L N 1.145 122.387 121.223 0.032 0.000 2.298 66 L HA 0.087 4.427 4.340 -0.000 0.000 0.209 66 L C 0.109 176.993 176.870 0.023 0.000 1.084 66 L CA 0.461 55.323 54.840 0.037 0.000 0.816 66 L CB -0.067 42.011 42.059 0.031 0.000 0.967 66 L HN 0.560 nan 8.230 nan 0.000 0.460 67 N N 0.874 119.582 118.700 0.015 0.000 2.564 67 N HA 0.334 5.074 4.740 -0.000 0.000 0.248 67 N C -0.841 174.673 175.510 0.006 0.000 0.986 67 N CA -0.076 52.980 53.050 0.010 0.000 0.921 67 N CB 1.360 39.852 38.487 0.007 0.000 1.136 67 N HN 0.010 nan 8.380 nan 0.000 0.509 68 L N 1.989 123.214 121.223 0.004 0.000 2.312 68 L HA 0.350 4.690 4.340 -0.000 0.000 0.287 68 L C 0.616 177.484 176.870 -0.002 0.000 1.091 68 L CA -0.147 54.690 54.840 -0.005 0.000 0.846 68 L CB 0.337 42.391 42.059 -0.009 0.000 1.219 68 L HN 0.292 nan 8.230 nan 0.000 0.439 69 E N 3.425 123.624 120.200 -0.002 0.000 2.264 69 E HA 0.337 4.687 4.350 -0.000 0.000 0.260 69 E C -1.654 174.946 176.600 -0.000 0.000 0.961 69 E CA -1.720 54.682 56.400 0.004 0.000 0.834 69 E CB 1.362 31.069 29.700 0.012 0.000 1.230 69 E HN 0.255 nan 8.360 nan 0.000 0.412 70 P HA -0.210 nan 4.420 nan 0.000 0.209 70 P C 1.088 178.393 177.300 0.008 0.000 1.167 70 P CA 1.592 64.695 63.100 0.006 0.000 0.941 70 P CB -0.041 31.668 31.700 0.015 0.000 0.787 71 G N -1.733 107.089 108.800 0.038 0.000 2.650 71 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.214 71 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.214 71 G C 0.333 175.276 174.900 0.073 0.000 1.136 71 G CA 0.259 45.407 45.100 0.080 0.000 0.789 71 G HN 0.530 nan 8.290 nan 0.000 0.536 72 Q N -1.549 118.271 119.800 0.034 0.000 2.633 72 Q HA 0.588 4.928 4.340 -0.000 0.000 0.289 72 Q C -1.995 174.009 176.000 0.007 0.000 0.940 72 Q CA -0.991 54.836 55.803 0.041 0.000 0.785 72 Q CB 1.821 30.618 28.738 0.099 0.000 1.467 72 Q HN -0.097 nan 8.270 nan 0.000 0.401 73 V N 0.470 120.387 119.914 0.005 0.000 2.581 73 V HA 0.772 4.892 4.120 -0.000 0.000 0.303 73 V C 0.218 176.326 176.094 0.024 0.000 1.041 73 V CA -0.260 62.039 62.300 -0.001 0.000 0.907 73 V CB 1.685 33.492 31.823 -0.028 0.000 0.994 73 V HN 0.852 nan 8.190 nan 0.000 0.442 74 G N 4.223 113.036 108.800 0.022 0.000 2.347 74 G HA2 0.699 4.659 3.960 -0.000 0.000 0.314 74 G HA3 0.699 4.659 3.960 -0.000 0.000 0.314 74 G C -0.852 174.070 174.900 0.037 0.000 1.126 74 G CA -0.342 44.777 45.100 0.033 0.000 0.929 74 G HN 0.592 nan 8.290 nan 0.000 0.441 75 I N 2.724 123.334 120.570 0.067 0.000 2.406 75 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 75 I C 0.242 176.409 176.117 0.083 0.000 0.999 75 I CA -1.195 60.153 61.300 0.080 0.000 1.124 75 I CB 2.278 40.361 38.000 0.138 0.000 1.289 75 I HN 0.368 nan 8.210 nan 0.000 0.441 76 V N 5.706 125.656 119.914 0.059 0.000 2.498 76 V HA 0.466 4.586 4.120 -0.000 0.000 0.279 76 V C -0.027 176.102 176.094 0.057 0.000 1.048 76 V CA -0.617 61.727 62.300 0.074 0.000 0.967 76 V CB 1.018 32.912 31.823 0.118 0.000 0.988 76 V HN 0.505 nan 8.190 nan 0.000 0.473 77 L N 4.633 125.894 121.223 0.063 0.000 2.371 77 L HA 0.369 4.709 4.340 -0.000 0.000 0.272 77 L C 0.615 177.637 176.870 0.253 0.000 1.124 77 L CA -0.400 54.464 54.840 0.041 0.000 0.816 77 L CB 0.781 42.811 42.059 -0.048 0.000 1.129 77 L HN 0.621 nan 8.230 nan 0.000 0.448 78 F N 1.093 121.092 119.950 0.082 0.000 2.732 78 F HA 0.297 4.824 4.527 -0.000 0.000 0.303 78 F C 1.166 176.995 175.800 0.048 0.000 1.110 78 F CA -0.647 57.399 58.000 0.076 0.000 1.355 78 F CB -0.271 38.783 39.000 0.089 0.000 1.081 78 F HN 0.453 nan 8.300 nan 0.000 0.565 79 G N -1.229 107.685 108.800 0.189 0.000 2.682 79 G HA2 0.335 4.295 3.960 -0.000 0.000 0.290 79 G HA3 0.335 4.295 3.960 -0.000 0.000 0.290 79 G C -1.063 173.856 174.900 0.032 0.000 1.425 79 G CA -0.772 44.387 45.100 0.099 0.000 0.807 79 G HN -0.102 nan 8.290 nan 0.000 0.482 80 S N -0.932 114.779 115.700 0.017 0.000 2.546 80 S HA 0.093 4.563 4.470 -0.000 0.000 0.290 80 S C 1.103 175.676 174.600 -0.043 0.000 1.290 80 S CA 0.724 58.921 58.200 -0.005 0.000 1.069 80 S CB 0.387 63.587 63.200 -0.001 0.000 0.846 80 S HN 0.678 nan 8.310 nan 0.000 0.495 81 D N 3.396 123.763 120.400 -0.055 0.000 2.325 81 D HA 0.017 4.657 4.640 -0.000 0.000 0.234 81 D C 1.389 177.640 176.300 -0.083 0.000 1.122 81 D CA -0.073 53.867 54.000 -0.100 0.000 0.850 81 D CB -0.048 40.688 40.800 -0.105 0.000 0.921 81 D HN 0.614 nan 8.370 nan 0.000 0.513 82 R N 0.279 120.747 120.500 -0.054 0.000 2.280 82 R HA 0.062 4.402 4.340 -0.000 0.000 0.207 82 R C 1.219 177.490 176.300 -0.048 0.000 1.043 82 R CA 0.421 56.496 56.100 -0.041 0.000 1.006 82 R CB -0.076 30.210 30.300 -0.023 0.000 0.885 82 R HN 0.307 nan 8.270 nan 0.000 0.467 83 L N 0.232 121.415 121.223 -0.067 0.000 2.341 83 L HA 0.092 4.431 4.340 -0.000 0.000 0.214 83 L C 0.309 177.124 176.870 -0.091 0.000 1.115 83 L CA 0.133 54.935 54.840 -0.064 0.000 0.820 83 L CB 0.432 42.458 42.059 -0.055 0.000 0.944 83 L HN -0.086 nan 8.230 nan 0.000 0.452 84 V N -0.114 119.706 119.914 -0.156 0.000 2.612 84 V HA 0.317 4.437 4.120 -0.000 0.000 0.301 84 V C -0.182 175.862 176.094 -0.083 0.000 1.046 84 V CA -0.719 61.473 62.300 -0.179 0.000 0.946 84 V CB 1.790 33.363 31.823 -0.417 0.000 1.003 84 V HN 0.100 nan 8.190 nan 0.000 0.459 85 K N 1.451 121.834 120.400 -0.028 0.000 2.435 85 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 85 K C -0.548 176.066 176.600 0.023 0.000 0.954 85 K CA -0.818 55.467 56.287 -0.004 0.000 0.820 85 K CB 2.399 34.902 32.500 0.005 0.000 1.292 85 K HN 0.780 nan 8.250 nan 0.000 0.436 86 E N 0.605 120.816 120.200 0.017 0.000 2.529 86 E HA -0.056 4.294 4.350 -0.000 0.000 0.259 86 E C 0.453 177.073 176.600 0.034 0.000 0.966 86 E CA 1.498 57.915 56.400 0.027 0.000 0.937 86 E CB 0.183 29.890 29.700 0.012 0.000 0.923 86 E HN 0.798 nan 8.360 nan 0.000 0.468 87 G N 3.842 112.672 108.800 0.049 0.000 2.213 87 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.236 87 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.236 87 G C 0.252 175.190 174.900 0.063 0.000 0.991 87 G CA 0.223 45.350 45.100 0.045 0.000 0.629 87 G HN 0.612 nan 8.290 nan 0.000 0.517 88 E N -0.021 120.229 120.200 0.084 0.000 2.404 88 E HA 0.451 4.801 4.350 -0.000 0.000 0.261 88 E C 0.293 176.959 176.600 0.110 0.000 1.074 88 E CA -0.600 55.861 56.400 0.102 0.000 0.917 88 E CB 0.616 30.397 29.700 0.135 0.000 0.965 88 E HN 0.285 nan 8.360 nan 0.000 0.433 89 L N 3.687 124.959 121.223 0.081 0.000 2.371 89 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 89 L C -1.137 175.731 176.870 -0.004 0.000 1.124 89 L CA -0.060 54.803 54.840 0.038 0.000 0.816 89 L CB 1.194 43.267 42.059 0.023 0.000 1.129 89 L HN 0.227 nan 8.230 nan 0.000 0.448 90 V N 4.155 124.014 119.914 -0.092 0.000 2.656 90 V HA 0.532 4.652 4.120 -0.000 0.000 0.307 90 V C -0.516 175.453 176.094 -0.209 0.000 1.051 90 V CA -0.988 61.146 62.300 -0.277 0.000 0.893 90 V CB 1.813 33.355 31.823 -0.469 0.000 0.999 90 V HN 0.666 nan 8.190 nan 0.000 0.426 91 K N 3.113 123.379 120.400 -0.222 0.000 2.292 91 K HA 0.593 4.913 4.320 -0.000 0.000 0.257 91 K C -0.264 176.245 176.600 -0.152 0.000 0.940 91 K CA -0.782 55.419 56.287 -0.143 0.000 0.811 91 K CB 2.278 34.723 32.500 -0.092 0.000 1.120 91 K HN 0.550 nan 8.250 nan 0.000 0.428 92 R N 0.366 120.796 120.500 -0.116 0.000 2.811 92 R HA -0.032 4.308 4.340 -0.000 0.000 0.265 92 R C 1.118 177.374 176.300 -0.073 0.000 1.026 92 R CA 0.761 56.804 56.100 -0.095 0.000 1.142 92 R CB 0.354 30.611 30.300 -0.072 0.000 1.027 92 R HN 0.849 nan 8.270 nan 0.000 0.465 93 T N -2.779 111.741 114.554 -0.058 0.000 2.955 93 T HA 0.206 4.556 4.350 -0.000 0.000 0.251 93 T C 1.267 175.954 174.700 -0.023 0.000 1.002 93 T CA 0.380 62.459 62.100 -0.035 0.000 0.970 93 T CB 0.768 69.621 68.868 -0.024 0.000 1.091 93 T HN 0.788 nan 8.240 nan 0.000 0.495 94 G N 2.044 110.828 108.800 -0.026 0.000 2.213 94 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 94 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 94 G C -0.181 174.713 174.900 -0.009 0.000 0.991 94 G CA -0.050 45.039 45.100 -0.019 0.000 0.629 94 G HN 0.704 nan 8.290 nan 0.000 0.517 95 N N 1.104 119.802 118.700 -0.003 0.000 2.321 95 N HA 0.536 5.276 4.740 -0.000 0.000 0.299 95 N C 0.331 175.850 175.510 0.014 0.000 1.048 95 N CA -0.752 52.302 53.050 0.007 0.000 0.836 95 N CB 1.765 40.260 38.487 0.014 0.000 1.269 95 N HN 0.074 nan 8.380 nan 0.000 0.486 96 I N 1.176 121.755 120.570 0.016 0.000 2.948 96 I HA -0.042 4.128 4.170 -0.000 0.000 0.290 96 I C 1.042 177.184 176.117 0.041 0.000 1.226 96 I CA -0.191 61.124 61.300 0.025 0.000 1.413 96 I CB -0.016 37.993 38.000 0.016 0.000 1.352 96 I HN 0.189 nan 8.210 nan 0.000 0.597 97 V N 5.447 125.401 119.914 0.066 0.000 2.644 97 V HA -0.030 4.090 4.120 -0.000 0.000 0.305 97 V C 0.271 176.397 176.094 0.054 0.000 1.053 97 V CA 0.284 62.639 62.300 0.092 0.000 1.186 97 V CB -0.045 31.860 31.823 0.136 0.000 0.895 97 V HN 0.987 nan 8.190 nan 0.000 0.490 98 D N 3.446 123.878 120.400 0.053 0.000 2.744 98 D HA 0.711 5.351 4.640 -0.000 0.000 0.304 98 D C -0.996 175.324 176.300 0.033 0.000 1.179 98 D CA -0.735 53.286 54.000 0.036 0.000 1.024 98 D CB 2.147 42.965 40.800 0.029 0.000 1.453 98 D HN 0.476 nan 8.370 nan 0.000 0.529 99 V N -0.627 119.302 119.914 0.025 0.000 2.969 99 V HA 0.566 4.685 4.120 -0.000 0.000 0.304 99 V C -2.816 173.281 176.094 0.006 0.000 1.192 99 V CA -2.045 60.265 62.300 0.017 0.000 0.962 99 V CB 2.457 34.290 31.823 0.017 0.000 1.045 99 V HN 0.626 nan 8.190 nan 0.000 0.428 100 P HA 0.186 nan 4.420 nan 0.000 0.265 100 P C -0.710 176.555 177.300 -0.058 0.000 1.193 100 P CA 0.532 63.611 63.100 -0.036 0.000 0.765 100 P CB 0.916 32.591 31.700 -0.042 0.000 0.823 101 V N -0.115 119.741 119.914 -0.096 0.000 3.040 101 V HA 1.018 5.138 4.120 -0.000 0.000 0.312 101 V C -0.072 175.760 176.094 -0.438 0.000 1.115 101 V CA -0.240 61.959 62.300 -0.168 0.000 0.998 101 V CB 1.542 33.347 31.823 -0.029 0.000 1.042 101 V HN 0.989 nan 8.190 nan 0.000 0.433 102 G N 2.479 110.791 108.800 -0.813 0.000 2.355 102 G HA2 0.178 4.138 3.960 -0.000 0.000 0.619 102 G HA3 0.178 4.138 3.960 -0.000 0.000 0.619 102 G C -2.553 171.697 174.900 -1.084 0.000 1.337 102 G CA -0.045 44.155 45.100 -1.501 0.000 0.993 102 G HN 0.719 nan 8.290 nan 0.000 0.599 103 P HA 0.008 nan 4.420 nan 0.000 0.228 103 P C 1.788 178.917 177.300 -0.286 0.000 1.151 103 P CA 1.502 64.255 63.100 -0.578 0.000 0.770 103 P CB -0.162 31.253 31.700 -0.475 0.000 0.786 104 G N -0.003 108.618 108.800 -0.297 0.000 2.586 104 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 104 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 104 G C 1.350 176.182 174.900 -0.114 0.000 1.128 104 G CA 0.182 45.181 45.100 -0.168 0.000 0.774 104 G HN 0.286 nan 8.290 nan 0.000 0.543 105 L N -0.227 120.923 121.223 -0.121 0.000 2.554 105 L HA 0.348 4.688 4.340 -0.000 0.000 0.225 105 L C 0.729 177.602 176.870 0.005 0.000 1.104 105 L CA -0.324 54.485 54.840 -0.052 0.000 0.866 105 L CB 0.146 42.175 42.059 -0.050 0.000 1.047 105 L HN 0.054 nan 8.230 nan 0.000 0.468 106 L N 0.780 122.015 121.223 0.020 0.000 2.534 106 L HA 0.124 4.464 4.340 -0.000 0.000 0.271 106 L C 1.334 178.228 176.870 0.040 0.000 1.178 106 L CA 0.788 55.671 54.840 0.072 0.000 0.907 106 L CB 0.160 42.285 42.059 0.111 0.000 1.164 106 L HN 0.356 nan 8.230 nan 0.000 0.482 107 G N 2.011 110.830 108.800 0.033 0.000 2.175 107 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 107 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 107 G C 0.269 175.167 174.900 -0.003 0.000 0.982 107 G CA -0.512 44.589 45.100 0.002 0.000 0.641 107 G HN 0.451 nan 8.290 nan 0.000 0.527 108 R N -0.146 120.358 120.500 0.006 0.000 2.536 108 R HA 0.689 5.029 4.340 -0.000 0.000 0.279 108 R C -0.150 176.156 176.300 0.010 0.000 1.001 108 R CA -0.744 55.357 56.100 0.002 0.000 1.027 108 R CB 1.596 31.894 30.300 -0.003 0.000 1.096 108 R HN 0.234 nan 8.270 nan 0.000 0.502 109 V N 2.929 122.847 119.914 0.007 0.000 2.357 109 V HA 0.379 4.499 4.120 -0.000 0.000 0.284 109 V C 0.203 176.306 176.094 0.013 0.000 1.018 109 V CA -0.796 61.513 62.300 0.016 0.000 0.841 109 V CB 1.461 33.292 31.823 0.013 0.000 0.991 109 V HN 0.576 nan 8.190 nan 0.000 0.437 110 V N 1.161 121.085 119.914 0.017 0.000 3.019 110 V HA 0.798 4.918 4.120 -0.000 0.000 0.317 110 V C -0.198 175.902 176.094 0.009 0.000 1.094 110 V CA -0.914 61.392 62.300 0.010 0.000 1.000 110 V CB 1.981 33.807 31.823 0.006 0.000 1.060 110 V HN 0.803 nan 8.190 nan 0.000 0.443 111 D N 1.923 122.324 120.400 0.001 0.000 2.414 111 D HA 0.435 5.075 4.640 -0.000 0.000 0.259 111 D C 1.213 177.498 176.300 -0.024 0.000 1.269 111 D CA 0.139 54.133 54.000 -0.009 0.000 1.028 111 D CB 0.949 41.743 40.800 -0.011 0.000 1.093 111 D HN 0.794 nan 8.370 nan 0.000 0.545 112 A N -0.621 122.167 122.820 -0.053 0.000 2.019 112 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 112 A C 2.153 179.693 177.584 -0.073 0.000 1.164 112 A CA 0.902 52.894 52.037 -0.075 0.000 0.644 112 A CB -0.785 18.140 19.000 -0.126 0.000 0.805 112 A HN 0.535 nan 8.150 nan 0.000 0.449 113 L N -1.357 119.824 121.223 -0.069 0.000 2.611 113 L HA 0.264 4.603 4.340 -0.000 0.000 0.229 113 L C 1.543 178.409 176.870 -0.006 0.000 1.137 113 L CA 0.468 55.288 54.840 -0.034 0.000 0.901 113 L CB -0.010 42.042 42.059 -0.013 0.000 1.098 113 L HN 0.534 nan 8.230 nan 0.000 0.456 114 G N -0.319 108.476 108.800 -0.009 0.000 2.157 114 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 114 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 114 G C 0.100 174.999 174.900 -0.002 0.000 0.979 114 G CA -0.336 44.762 45.100 -0.004 0.000 0.650 114 G HN 0.367 nan 8.290 nan 0.000 0.529 115 N N 2.206 120.907 118.700 0.002 0.000 2.497 115 N HA 0.344 5.084 4.740 -0.000 0.000 0.268 115 N C -2.284 173.228 175.510 0.003 0.000 1.171 115 N CA -0.708 52.345 53.050 0.006 0.000 0.948 115 N CB 1.314 39.809 38.487 0.014 0.000 1.069 115 N HN 0.252 nan 8.380 nan 0.000 0.460 116 P HA 0.153 nan 4.420 nan 0.000 0.275 116 P C 0.501 177.804 177.300 0.004 0.000 1.227 116 P CA -0.151 62.949 63.100 0.001 0.000 0.781 116 P CB 0.748 32.446 31.700 -0.003 0.000 0.906 117 I N -0.649 119.924 120.570 0.005 0.000 4.227 117 I HA 0.143 4.313 4.170 -0.000 0.000 0.334 117 I C 0.800 176.919 176.117 0.004 0.000 1.341 117 I CA -0.078 61.226 61.300 0.007 0.000 1.123 117 I CB -0.279 37.727 38.000 0.010 0.000 1.097 117 I HN 0.040 nan 8.210 nan 0.000 0.399 118 D N 2.050 122.451 120.400 0.002 0.000 2.392 118 D HA 0.016 4.656 4.640 -0.000 0.000 0.228 118 D C 1.764 178.062 176.300 -0.003 0.000 1.003 118 D CA 0.934 54.933 54.000 -0.002 0.000 0.917 118 D CB -0.400 40.397 40.800 -0.005 0.000 0.890 118 D HN 0.534 nan 8.370 nan 0.000 0.532 119 G N 0.397 109.196 108.800 -0.001 0.000 2.148 119 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 119 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 119 G C 0.779 175.677 174.900 -0.004 0.000 0.981 119 G CA 0.363 45.462 45.100 -0.002 0.000 0.670 119 G HN 0.470 nan 8.290 nan 0.000 0.528 120 K N 0.389 120.786 120.400 -0.005 0.000 2.446 120 K HA 0.471 4.791 4.320 -0.000 0.000 0.203 120 K C 1.410 178.005 176.600 -0.007 0.000 1.027 120 K CA 0.460 56.743 56.287 -0.007 0.000 1.166 120 K CB 0.317 32.812 32.500 -0.009 0.000 0.869 120 K HN 1.420 nan 8.250 nan 0.000 0.504 121 G N 2.120 110.916 108.800 -0.006 0.000 2.760 121 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.246 121 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.246 121 G C -2.642 172.253 174.900 -0.009 0.000 1.359 121 G CA -1.313 43.783 45.100 -0.006 0.000 0.861 121 G HN 0.000 nan 8.290 nan 0.000 0.541 122 P HA 0.282 nan 4.420 nan 0.000 0.267 122 P C 0.267 177.555 177.300 -0.020 0.000 1.195 122 P CA -0.137 62.955 63.100 -0.013 0.000 0.773 122 P CB 0.315 32.008 31.700 -0.013 0.000 0.837 123 I N 2.631 123.186 120.570 -0.025 0.000 2.291 123 I HA 0.118 4.288 4.170 -0.000 0.000 0.290 123 I C 0.164 176.251 176.117 -0.050 0.000 1.050 123 I CA -0.467 60.810 61.300 -0.038 0.000 1.245 123 I CB 0.245 38.222 38.000 -0.039 0.000 1.405 123 I HN 0.205 nan 8.210 nan 0.000 0.478 124 D N 5.816 126.181 120.400 -0.059 0.000 2.382 124 D HA 0.289 4.929 4.640 -0.000 0.000 0.259 124 D C 0.388 176.625 176.300 -0.106 0.000 1.224 124 D CA 0.358 54.315 54.000 -0.070 0.000 0.894 124 D CB 1.020 41.780 40.800 -0.067 0.000 1.127 124 D HN 0.605 nan 8.370 nan 0.000 0.487 125 A N 2.053 124.815 122.820 -0.097 0.000 2.312 125 A HA 0.617 4.937 4.320 -0.000 0.000 0.326 125 A C 1.070 178.578 177.584 -0.127 0.000 1.172 125 A CA -0.292 51.669 52.037 -0.128 0.000 0.821 125 A CB 1.371 20.319 19.000 -0.088 0.000 1.166 125 A HN 0.525 nan 8.150 nan 0.000 0.493 126 A N 1.652 124.361 122.820 -0.185 0.000 1.970 126 A HA 0.489 4.809 4.320 -0.000 0.000 0.216 126 A C 1.182 178.745 177.584 -0.035 0.000 1.170 126 A CA 1.643 53.612 52.037 -0.112 0.000 0.645 126 A CB -0.339 18.578 19.000 -0.139 0.000 0.816 126 A HN 2.171 nan 8.150 nan 0.000 0.447 127 G N -1.758 107.017 108.800 -0.041 0.000 2.430 127 G HA2 0.508 4.468 3.960 -0.000 0.000 0.300 127 G HA3 0.508 4.468 3.960 -0.000 0.000 0.300 127 G C -1.302 173.593 174.900 -0.008 0.000 1.330 127 G CA -0.992 44.107 45.100 -0.003 0.000 0.813 127 G HN 0.251 nan 8.290 nan 0.000 0.487 128 R N -0.586 119.919 120.500 0.008 0.000 2.732 128 R HA 0.819 5.159 4.340 -0.000 0.000 0.278 128 R C -0.938 175.377 176.300 0.025 0.000 0.976 128 R CA -0.695 55.411 56.100 0.010 0.000 0.963 128 R CB 2.096 32.401 30.300 0.008 0.000 1.150 128 R HN 0.434 nan 8.270 nan 0.000 0.478 129 S N 0.746 116.463 115.700 0.028 0.000 2.548 129 S HA 0.358 4.828 4.470 -0.000 0.000 0.276 129 S C -0.740 173.879 174.600 0.032 0.000 1.129 129 S CA -0.866 57.355 58.200 0.036 0.000 0.931 129 S CB 2.085 65.317 63.200 0.053 0.000 1.068 129 S HN 0.421 nan 8.310 nan 0.000 0.480 130 R N 0.988 121.504 120.500 0.027 0.000 2.640 130 R HA 0.215 4.555 4.340 -0.000 0.000 0.270 130 R C 1.461 177.774 176.300 0.020 0.000 1.024 130 R CA 0.305 56.416 56.100 0.019 0.000 1.085 130 R CB 0.216 30.522 30.300 0.009 0.000 0.963 130 R HN 0.809 nan 8.270 nan 0.000 0.426 131 A N 3.612 126.437 122.820 0.009 0.000 1.851 131 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 131 A C 0.445 178.021 177.584 -0.014 0.000 1.195 131 A CA 1.174 53.217 52.037 0.009 0.000 0.622 131 A CB -0.102 18.880 19.000 -0.030 0.000 0.831 131 A HN 0.591 nan 8.150 nan 0.000 0.444 132 Q N 0.194 119.932 119.800 -0.104 0.000 2.295 132 Q HA 0.487 4.827 4.340 -0.000 0.000 0.259 132 Q C -1.039 174.934 176.000 -0.045 0.000 0.976 132 Q CA 0.109 55.830 55.803 -0.136 0.000 0.923 132 Q CB 1.038 29.652 28.738 -0.207 0.000 1.185 132 Q HN 0.230 nan 8.270 nan 0.000 0.410 133 V N 2.446 122.354 119.914 -0.011 0.000 2.808 133 V HA 0.268 4.388 4.120 -0.000 0.000 0.308 133 V C -0.022 176.083 176.094 0.018 0.000 1.099 133 V CA -1.257 61.050 62.300 0.011 0.000 0.920 133 V CB 2.227 34.067 31.823 0.030 0.000 1.014 133 V HN 0.576 nan 8.190 nan 0.000 0.425 134 K N 2.698 123.110 120.400 0.020 0.000 2.472 134 K HA 0.309 4.629 4.320 -0.000 0.000 0.280 134 K C 0.514 177.133 176.600 0.032 0.000 1.028 134 K CA 0.218 56.523 56.287 0.030 0.000 1.045 134 K CB 0.823 33.342 32.500 0.031 0.000 0.902 134 K HN 0.917 nan 8.250 nan 0.000 0.478 135 A N 5.824 128.666 122.820 0.038 0.000 2.483 135 A HA 0.198 4.518 4.320 -0.000 0.000 0.238 135 A C -1.913 175.690 177.584 0.032 0.000 1.070 135 A CA -1.048 51.011 52.037 0.037 0.000 0.770 135 A CB -0.498 18.525 19.000 0.038 0.000 1.008 135 A HN 0.428 nan 8.150 nan 0.000 0.497 136 P HA 0.090 nan 4.420 nan 0.000 0.261 136 P C 0.783 178.098 177.300 0.025 0.000 1.173 136 P CA 0.998 64.112 63.100 0.023 0.000 0.760 136 P CB 0.339 32.052 31.700 0.022 0.000 0.783 137 G N 2.527 111.341 108.800 0.023 0.000 2.525 137 G HA2 0.051 4.011 3.960 -0.000 0.000 0.276 137 G HA3 0.051 4.011 3.960 -0.000 0.000 0.276 137 G C 1.154 176.068 174.900 0.023 0.000 1.388 137 G CA -0.528 44.587 45.100 0.024 0.000 1.050 137 G HN 0.350 nan 8.290 nan 0.000 0.520 138 I N -0.729 119.854 120.570 0.022 0.000 2.151 138 I HA -0.132 4.038 4.170 -0.000 0.000 0.243 138 I C 2.745 178.871 176.117 0.016 0.000 1.080 138 I CA 1.173 62.485 61.300 0.020 0.000 1.339 138 I CB -0.843 37.168 38.000 0.018 0.000 1.039 138 I HN 0.281 nan 8.210 nan 0.000 0.409 139 L N 1.527 122.757 121.223 0.013 0.000 2.023 139 L HA -0.019 4.320 4.340 -0.000 0.000 0.205 139 L C -0.843 176.032 176.870 0.008 0.000 1.073 139 L CA 1.742 56.587 54.840 0.009 0.000 0.745 139 L CB -1.647 40.416 42.059 0.007 0.000 0.900 139 L HN 0.124 nan 8.230 nan 0.000 0.435 140 P HA 0.037 nan 4.420 nan 0.000 0.258 140 P C -0.733 176.575 177.300 0.012 0.000 1.559 140 P CA 0.299 63.403 63.100 0.007 0.000 0.855 140 P CB -0.224 31.479 31.700 0.005 0.000 1.594 141 R N 0.133 120.642 120.500 0.015 0.000 2.711 141 R HA 0.566 4.906 4.340 -0.000 0.000 0.284 141 R C 0.131 176.442 176.300 0.018 0.000 0.968 141 R CA -0.835 55.278 56.100 0.021 0.000 0.924 141 R CB 2.223 32.537 30.300 0.024 0.000 1.162 141 R HN -0.055 nan 8.270 nan 0.000 0.465 142 R N 1.120 121.636 120.500 0.027 0.000 2.637 142 R HA 0.330 4.670 4.340 -0.000 0.000 0.291 142 R C -0.744 175.577 176.300 0.034 0.000 0.963 142 R CA -0.471 55.639 56.100 0.016 0.000 0.901 142 R CB 2.012 32.322 30.300 0.017 0.000 1.160 142 R HN 0.672 nan 8.270 nan 0.000 0.457 143 S N 1.534 117.241 115.700 0.011 0.000 2.558 143 S HA -0.015 4.454 4.470 -0.000 0.000 0.293 143 S C 0.168 174.828 174.600 0.099 0.000 1.292 143 S CA -0.249 57.969 58.200 0.031 0.000 1.063 143 S CB 0.452 63.654 63.200 0.003 0.000 0.831 143 S HN 0.348 nan 8.310 nan 0.000 0.499 144 V N 5.836 125.804 119.914 0.090 0.000 2.557 144 V HA 0.034 4.154 4.120 -0.000 0.000 0.301 144 V C 1.310 177.492 176.094 0.146 0.000 1.026 144 V CA 0.728 63.087 62.300 0.098 0.000 1.137 144 V CB 0.057 31.900 31.823 0.032 0.000 0.917 144 V HN 1.073 nan 8.190 nan 0.000 0.484 145 H N 2.058 121.100 119.070 -0.046 0.000 3.876 145 H HA 0.333 4.889 4.556 -0.000 0.000 0.262 145 H C 0.074 175.356 175.328 -0.076 0.000 1.158 145 H CA -0.409 55.609 56.048 -0.050 0.000 1.170 145 H CB 0.637 30.376 29.762 -0.039 0.000 1.528 145 H HN 0.607 nan 8.280 nan 0.000 0.689 146 E N 3.363 123.288 120.200 -0.459 0.000 2.151 146 E HA 0.376 4.726 4.350 -0.000 0.000 0.275 146 E C -2.790 173.628 176.600 -0.302 0.000 0.936 146 E CA -2.232 53.896 56.400 -0.452 0.000 0.777 146 E CB 2.173 31.510 29.700 -0.605 0.000 1.108 146 E HN 0.091 nan 8.360 nan 0.000 0.401 147 P HA -0.081 nan 4.420 nan 0.000 0.264 147 P C -0.787 176.337 177.300 -0.293 0.000 1.183 147 P CA 0.173 63.135 63.100 -0.230 0.000 0.763 147 P CB 0.481 32.051 31.700 -0.216 0.000 0.807 148 V N 5.648 125.429 119.914 -0.221 0.000 2.318 148 V HA 0.124 4.244 4.120 -0.000 0.000 0.271 148 V C 0.445 176.439 176.094 -0.165 0.000 1.030 148 V CA -0.085 62.083 62.300 -0.220 0.000 0.844 148 V CB 0.504 32.239 31.823 -0.148 0.000 1.015 148 V HN 0.470 nan 8.190 nan 0.000 0.460 149 Q N 2.476 122.151 119.800 -0.209 0.000 2.344 149 Q HA 0.139 4.479 4.340 -0.000 0.000 0.253 149 Q C 1.429 177.450 176.000 0.035 0.000 1.050 149 Q CA 0.060 55.826 55.803 -0.062 0.000 0.912 149 Q CB 1.118 29.857 28.738 0.002 0.000 1.258 149 Q HN 0.961 nan 8.270 nan 0.000 0.443 150 T N -1.019 113.550 114.554 0.026 0.000 2.951 150 T HA 0.011 4.361 4.350 -0.000 0.000 0.268 150 T C 1.422 176.162 174.700 0.066 0.000 1.073 150 T CA 0.647 62.771 62.100 0.039 0.000 1.134 150 T CB -0.048 68.831 68.868 0.018 0.000 0.884 150 T HN 0.847 nan 8.240 nan 0.000 0.479 151 G N 1.104 109.950 108.800 0.077 0.000 2.143 151 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.249 151 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.249 151 G C -0.107 174.820 174.900 0.044 0.000 0.981 151 G CA 0.212 45.356 45.100 0.073 0.000 0.665 151 G HN 0.652 nan 8.290 nan 0.000 0.528 152 L N 0.160 121.404 121.223 0.035 0.000 2.280 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.287 152 L C 1.668 178.555 176.870 0.029 0.000 1.023 152 L CA -0.946 53.908 54.840 0.024 0.000 0.819 152 L CB 1.297 43.364 42.059 0.014 0.000 1.212 152 L HN 0.059 nan 8.230 nan 0.000 0.420 153 K N 2.347 122.766 120.400 0.032 0.000 2.034 153 K HA -0.271 4.049 4.320 -0.000 0.000 0.214 153 K C 2.006 178.627 176.600 0.035 0.000 1.051 153 K CA 1.979 58.289 56.287 0.038 0.000 0.931 153 K CB -0.214 32.312 32.500 0.043 0.000 0.715 153 K HN 0.796 nan 8.250 nan 0.000 0.446 154 A N 0.870 123.709 122.820 0.030 0.000 1.940 154 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 154 A C 2.375 179.979 177.584 0.033 0.000 1.176 154 A CA 1.785 53.842 52.037 0.033 0.000 0.631 154 A CB -0.565 18.452 19.000 0.029 0.000 0.814 154 A HN 0.111 nan 8.150 nan 0.000 0.446 155 V N -0.226 119.705 119.914 0.028 0.000 2.283 155 V HA -0.130 3.990 4.120 -0.000 0.000 0.239 155 V C 2.125 178.233 176.094 0.023 0.000 1.035 155 V CA 1.866 64.181 62.300 0.025 0.000 1.018 155 V CB -0.949 30.885 31.823 0.018 0.000 0.658 155 V HN 0.407 nan 8.190 nan 0.000 0.459 156 D N 0.642 121.055 120.400 0.023 0.000 2.190 156 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 156 D C 2.053 178.368 176.300 0.025 0.000 0.992 156 D CA 1.668 55.681 54.000 0.021 0.000 0.854 156 D CB -0.204 40.613 40.800 0.029 0.000 0.936 156 D HN 0.432 nan 8.370 nan 0.000 0.462 157 A N -0.690 122.150 122.820 0.033 0.000 1.930 157 A HA 0.068 4.388 4.320 -0.000 0.000 0.215 157 A C 2.046 179.651 177.584 0.035 0.000 1.176 157 A CA 0.707 52.766 52.037 0.037 0.000 0.632 157 A CB -0.091 18.934 19.000 0.043 0.000 0.819 157 A HN 0.245 nan 8.150 nan 0.000 0.445 158 L N -1.502 119.742 121.223 0.034 0.000 2.717 158 L HA 0.205 4.545 4.340 -0.000 0.000 0.239 158 L C -0.415 176.474 176.870 0.032 0.000 1.086 158 L CA 0.114 54.976 54.840 0.037 0.000 0.897 158 L CB 1.158 43.243 42.059 0.043 0.000 1.214 158 L HN 0.051 nan 8.230 nan 0.000 0.508 159 V N 0.915 120.845 119.914 0.028 0.000 2.546 159 V HA 0.264 4.384 4.120 -0.000 0.000 0.260 159 V C -2.617 173.485 176.094 0.014 0.000 0.933 159 V CA -1.079 61.235 62.300 0.025 0.000 0.994 159 V CB 0.631 32.473 31.823 0.032 0.000 1.160 159 V HN -0.040 nan 8.190 nan 0.000 0.523 160 P HA 0.414 nan 4.420 nan 0.000 0.281 160 P C -0.357 176.934 177.300 -0.014 0.000 1.252 160 P CA 0.074 63.171 63.100 -0.005 0.000 0.778 160 P CB 1.120 32.816 31.700 -0.006 0.000 0.895 161 I N 2.199 122.752 120.570 -0.028 0.000 2.353 161 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 161 I C 1.163 177.241 176.117 -0.065 0.000 0.992 161 I CA -0.253 61.024 61.300 -0.038 0.000 1.268 161 I CB 1.458 39.434 38.000 -0.040 0.000 1.387 161 I HN 0.327 nan 8.210 nan 0.000 0.478 162 G N 4.883 113.645 108.800 -0.063 0.000 2.434 162 G HA2 0.471 4.431 3.960 -0.000 0.000 0.330 162 G HA3 0.471 4.431 3.960 -0.000 0.000 0.330 162 G C -0.399 174.440 174.900 -0.103 0.000 1.155 162 G CA -0.893 44.151 45.100 -0.094 0.000 0.917 162 G HN 0.543 nan 8.290 nan 0.000 0.493 163 R N 0.446 120.851 120.500 -0.157 0.000 2.446 163 R HA 0.320 4.660 4.340 -0.000 0.000 0.314 163 R C 1.130 177.392 176.300 -0.063 0.000 1.003 163 R CA 0.999 57.014 56.100 -0.141 0.000 1.018 163 R CB 0.313 30.462 30.300 -0.251 0.000 0.945 163 R HN 1.120 nan 8.270 nan 0.000 0.419 164 G N 1.975 110.761 108.800 -0.024 0.000 2.255 164 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.196 164 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.196 164 G C 0.145 175.048 174.900 0.004 0.000 0.998 164 G CA -0.142 44.962 45.100 0.008 0.000 0.656 164 G HN 0.581 nan 8.290 nan 0.000 0.490 165 Q N 0.346 120.139 119.800 -0.011 0.000 2.306 165 Q HA 0.690 5.030 4.340 -0.000 0.000 0.241 165 Q C -0.124 175.872 176.000 -0.007 0.000 0.948 165 Q CA -0.431 55.368 55.803 -0.007 0.000 0.886 165 Q CB 0.440 29.168 28.738 -0.017 0.000 1.227 165 Q HN 0.258 nan 8.270 nan 0.000 0.457 166 R N 2.300 122.801 120.500 0.001 0.000 2.275 166 R HA 0.267 4.607 4.340 -0.000 0.000 0.326 166 R C -1.395 174.903 176.300 -0.002 0.000 0.973 166 R CA -0.456 55.644 56.100 -0.000 0.000 0.854 166 R CB 1.308 31.612 30.300 0.006 0.000 1.156 166 R HN 0.462 nan 8.270 nan 0.000 0.487 167 E N 2.927 123.121 120.200 -0.010 0.000 2.129 167 E HA 0.236 4.586 4.350 -0.000 0.000 0.268 167 E C -1.258 175.335 176.600 -0.010 0.000 0.900 167 E CA -0.937 55.460 56.400 -0.005 0.000 0.755 167 E CB 0.842 30.538 29.700 -0.007 0.000 1.117 167 E HN 0.337 nan 8.360 nan 0.000 0.410 168 L N 5.481 126.701 121.223 -0.005 0.000 2.380 168 L HA 0.419 4.759 4.340 -0.000 0.000 0.273 168 L C -0.845 176.010 176.870 -0.024 0.000 1.138 168 L CA 0.220 55.049 54.840 -0.018 0.000 0.832 168 L CB 0.467 42.519 42.059 -0.012 0.000 1.124 168 L HN 0.640 nan 8.230 nan 0.000 0.454 169 I N 6.954 127.497 120.570 -0.045 0.000 2.330 169 I HA 0.402 4.572 4.170 -0.000 0.000 0.289 169 I C -0.308 175.743 176.117 -0.109 0.000 1.001 169 I CA -0.204 61.059 61.300 -0.061 0.000 1.193 169 I CB 1.213 39.185 38.000 -0.046 0.000 1.345 169 I HN 0.587 nan 8.210 nan 0.000 0.461 170 I N 5.188 125.649 120.570 -0.183 0.000 2.730 170 I HA 0.911 5.081 4.170 -0.000 0.000 0.298 170 I C -0.285 175.505 176.117 -0.544 0.000 1.089 170 I CA -0.037 61.077 61.300 -0.310 0.000 1.041 170 I CB 2.131 39.956 38.000 -0.292 0.000 1.235 170 I HN 0.693 nan 8.210 nan 0.000 0.423 171 G N 4.713 113.225 108.800 -0.481 0.000 2.316 171 G HA2 0.169 4.129 3.960 -0.000 0.000 0.296 171 G HA3 0.169 4.129 3.960 -0.000 0.000 0.296 171 G C -2.026 172.739 174.900 -0.224 0.000 1.399 171 G CA -0.788 44.035 45.100 -0.461 0.000 0.833 171 G HN 0.500 nan 8.290 nan 0.000 0.565 172 D N 0.299 120.617 120.400 -0.138 0.000 2.371 172 D HA 0.385 5.025 4.640 -0.000 0.000 0.242 172 D C 1.316 177.572 176.300 -0.073 0.000 1.218 172 D CA -0.166 53.794 54.000 -0.067 0.000 0.945 172 D CB 0.534 41.322 40.800 -0.021 0.000 1.137 172 D HN 0.706 nan 8.370 nan 0.000 0.464 173 R N 0.214 120.686 120.500 -0.047 0.000 2.678 173 R HA -0.080 4.260 4.340 -0.000 0.000 0.264 173 R C -0.304 175.947 176.300 -0.083 0.000 0.995 173 R CA 0.080 56.151 56.100 -0.048 0.000 1.098 173 R CB -0.337 29.949 30.300 -0.024 0.000 0.949 173 R HN 0.344 nan 8.270 nan 0.000 0.422 174 Q N -0.155 119.589 119.800 -0.093 0.000 2.439 174 Q HA -0.205 4.135 4.340 -0.000 0.000 0.325 174 Q C 0.005 175.832 176.000 -0.288 0.000 1.372 174 Q CA 1.358 57.068 55.803 -0.155 0.000 0.909 174 Q CB -1.320 27.339 28.738 -0.131 0.000 1.167 174 Q HN 0.994 nan 8.270 nan 0.000 0.418 175 T N -6.193 108.229 114.554 -0.220 0.000 2.954 175 T HA 0.479 4.829 4.350 -0.000 0.000 0.252 175 T C 1.190 175.857 174.700 -0.056 0.000 0.983 175 T CA 0.439 62.403 62.100 -0.227 0.000 0.941 175 T CB 1.246 70.031 68.868 -0.138 0.000 1.141 175 T HN 0.900 nan 8.240 nan 0.000 0.500 176 G N 1.577 110.357 108.800 -0.033 0.000 2.200 176 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.145 176 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.145 176 G C 0.745 175.647 174.900 0.004 0.000 1.021 176 G CA 0.132 45.253 45.100 0.036 0.000 0.720 176 G HN 0.420 nan 8.290 nan 0.000 0.494 177 K N -0.005 120.382 120.400 -0.021 0.000 2.044 177 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 177 K C 2.415 179.018 176.600 0.005 0.000 1.049 177 K CA 1.970 58.242 56.287 -0.024 0.000 0.927 177 K CB -0.292 32.181 32.500 -0.046 0.000 0.713 177 K HN 0.298 nan 8.250 nan 0.000 0.443 178 T N 0.867 115.436 114.554 0.024 0.000 2.857 178 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 178 T C 2.005 176.726 174.700 0.036 0.000 1.048 178 T CA 1.064 63.206 62.100 0.070 0.000 1.139 178 T CB -0.196 68.728 68.868 0.092 0.000 0.874 178 T HN 0.341 nan 8.240 nan 0.000 0.455 179 A N 1.110 123.926 122.820 -0.007 0.000 1.917 179 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 179 A C 2.540 180.096 177.584 -0.048 0.000 1.182 179 A CA 1.500 53.499 52.037 -0.063 0.000 0.633 179 A CB -1.147 17.799 19.000 -0.090 0.000 0.819 179 A HN 0.352 nan 8.150 nan 0.000 0.448 180 V N -0.469 119.433 119.914 -0.019 0.000 2.407 180 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 180 V C 2.973 179.069 176.094 0.004 0.000 1.055 180 V CA 1.972 64.266 62.300 -0.010 0.000 1.049 180 V CB -0.976 30.845 31.823 -0.004 0.000 0.662 180 V HN 0.650 nan 8.190 nan 0.000 0.455 181 A N -0.624 122.211 122.820 0.025 0.000 1.898 181 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 181 A C 2.105 179.720 177.584 0.053 0.000 1.183 181 A CA 1.615 53.682 52.037 0.051 0.000 0.622 181 A CB -0.468 18.594 19.000 0.103 0.000 0.824 181 A HN 0.444 nan 8.150 nan 0.000 0.444 182 L N -0.164 121.079 121.223 0.032 0.000 2.093 182 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 182 L C 1.518 178.390 176.870 0.003 0.000 1.085 182 L CA 2.221 57.062 54.840 0.001 0.000 0.755 182 L CB -0.355 41.688 42.059 -0.026 0.000 0.904 182 L HN 0.288 nan 8.230 nan 0.000 0.435 183 D N -1.427 118.962 120.400 -0.018 0.000 2.183 183 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 183 D C 2.092 178.408 176.300 0.026 0.000 0.969 183 D CA 1.430 55.422 54.000 -0.014 0.000 0.842 183 D CB -0.088 40.679 40.800 -0.055 0.000 0.957 183 D HN 0.330 nan 8.370 nan 0.000 0.484 184 T N 0.983 115.555 114.554 0.030 0.000 2.708 184 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 184 T C 2.189 176.935 174.700 0.077 0.000 1.037 184 T CA 0.602 62.730 62.100 0.046 0.000 1.146 184 T CB -0.198 68.687 68.868 0.027 0.000 0.865 184 T HN 0.147 nan 8.240 nan 0.000 0.435 185 I N 0.893 121.513 120.570 0.084 0.000 2.163 185 I HA -0.172 3.998 4.170 -0.000 0.000 0.243 185 I C 2.327 178.569 176.117 0.209 0.000 1.085 185 I CA 1.265 62.651 61.300 0.143 0.000 1.347 185 I CB -0.433 37.636 38.000 0.114 0.000 1.044 185 I HN 0.219 nan 8.210 nan 0.000 0.408 186 L N 0.359 121.660 121.223 0.129 0.000 2.127 186 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 186 L C 2.185 179.152 176.870 0.163 0.000 1.089 186 L CA 1.616 56.536 54.840 0.134 0.000 0.757 186 L CB -0.889 41.194 42.059 0.041 0.000 0.899 186 L HN 0.383 nan 8.230 nan 0.000 0.434 187 N N -0.383 118.397 118.700 0.133 0.000 2.309 187 N HA -0.177 4.563 4.740 -0.000 0.000 0.182 187 N C 1.768 177.371 175.510 0.156 0.000 1.018 187 N CA 0.680 53.804 53.050 0.124 0.000 0.876 187 N CB 0.135 38.710 38.487 0.148 0.000 0.972 187 N HN 0.179 nan 8.380 nan 0.000 0.434 188 Q N 0.600 120.500 119.800 0.165 0.000 2.439 188 Q HA -0.067 4.273 4.340 -0.000 0.000 0.211 188 Q C 1.464 177.387 176.000 -0.129 0.000 0.978 188 Q CA 0.580 56.433 55.803 0.083 0.000 0.897 188 Q CB -0.152 28.445 28.738 -0.234 0.000 0.956 188 Q HN 0.465 nan 8.270 nan 0.000 0.483 189 K N 0.660 121.048 120.400 -0.019 0.000 2.107 189 K HA -0.211 4.109 4.320 -0.000 0.000 0.211 189 K C 1.964 178.434 176.600 -0.217 0.000 1.049 189 K CA 1.513 57.798 56.287 -0.003 0.000 0.927 189 K CB -0.084 32.459 32.500 0.072 0.000 0.714 189 K HN 0.265 nan 8.250 nan 0.000 0.452 190 R N -0.504 119.695 120.500 -0.501 0.000 2.103 190 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 190 R C 2.089 177.897 176.300 -0.820 0.000 1.142 190 R CA 1.730 57.279 56.100 -0.919 0.000 0.960 190 R CB -0.239 28.942 30.300 -1.866 0.000 0.858 190 R HN 0.458 nan 8.270 nan 0.000 0.439 191 W N -0.163 121.052 121.300 -0.143 0.000 2.808 191 W HA 0.180 4.840 4.660 -0.000 0.000 0.266 191 W C 1.208 177.619 176.519 -0.180 0.000 1.247 191 W CA -0.533 56.723 57.345 -0.148 0.000 1.440 191 W CB -0.406 28.955 29.460 -0.164 0.000 1.040 191 W HN 0.071 nan 8.180 nan 0.000 0.606 192 N N 1.175 119.831 118.700 -0.073 0.000 2.512 192 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 192 N C 0.838 176.325 175.510 -0.039 0.000 1.073 192 N CA 0.818 53.760 53.050 -0.180 0.000 0.911 192 N CB -0.473 37.696 38.487 -0.531 0.000 0.964 192 N HN 0.084 nan 8.380 nan 0.000 0.447 193 N N -0.262 118.414 118.700 -0.040 0.000 2.270 193 N HA 0.098 4.838 4.740 -0.000 0.000 0.198 193 N C 0.849 176.352 175.510 -0.011 0.000 1.117 193 N CA 0.049 53.092 53.050 -0.011 0.000 0.845 193 N CB 0.482 38.952 38.487 -0.029 0.000 0.980 193 N HN 0.147 nan 8.380 nan 0.000 0.486 194 G N -0.881 107.917 108.800 -0.003 0.000 2.702 194 G HA2 0.369 4.329 3.960 -0.000 0.000 0.254 194 G HA3 0.369 4.329 3.960 -0.000 0.000 0.254 194 G C 0.455 175.380 174.900 0.041 0.000 1.380 194 G CA -0.256 44.855 45.100 0.018 0.000 1.042 194 G HN 0.112 nan 8.290 nan 0.000 0.557 195 S N -1.129 114.600 115.700 0.048 0.000 2.539 195 S HA 0.124 4.594 4.470 -0.000 0.000 0.226 195 S C 0.424 175.065 174.600 0.068 0.000 1.054 195 S CA -0.163 58.072 58.200 0.058 0.000 0.910 195 S CB 0.257 63.486 63.200 0.048 0.000 0.818 195 S HN 0.576 nan 8.310 nan 0.000 0.490 196 D N 2.915 123.354 120.400 0.065 0.000 2.368 196 D HA 0.025 4.665 4.640 -0.000 0.000 0.268 196 D C 0.758 177.104 176.300 0.076 0.000 1.298 196 D CA 0.338 54.379 54.000 0.068 0.000 0.938 196 D CB 0.464 41.303 40.800 0.065 0.000 1.101 196 D HN 0.158 nan 8.370 nan 0.000 0.509 197 E N 1.577 121.831 120.200 0.090 0.000 2.427 197 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 197 E C 1.721 178.399 176.600 0.129 0.000 1.028 197 E CA 0.266 56.737 56.400 0.118 0.000 0.864 197 E CB 0.163 29.957 29.700 0.157 0.000 0.813 197 E HN 0.546 nan 8.360 nan 0.000 0.514 198 S N 0.673 116.439 115.700 0.111 0.000 2.453 198 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 198 S C 1.728 176.362 174.600 0.056 0.000 1.005 198 S CA 0.625 58.918 58.200 0.154 0.000 0.949 198 S CB 0.032 63.292 63.200 0.100 0.000 0.774 198 S HN 0.112 nan 8.310 nan 0.000 0.510 199 K N 0.824 121.214 120.400 -0.016 0.000 2.262 199 K HA 0.190 4.510 4.320 -0.000 0.000 0.200 199 K C 0.370 176.863 176.600 -0.179 0.000 1.049 199 K CA 0.227 56.415 56.287 -0.166 0.000 0.979 199 K CB 0.104 32.561 32.500 -0.072 0.000 0.773 199 K HN 0.331 nan 8.250 nan 0.000 0.474 200 K N 1.514 121.872 120.400 -0.071 0.000 2.382 200 K HA 0.068 4.388 4.320 -0.000 0.000 0.275 200 K C -0.580 175.851 176.600 -0.283 0.000 1.009 200 K CA -0.108 56.057 56.287 -0.203 0.000 0.970 200 K CB 0.550 32.863 32.500 -0.312 0.000 0.934 200 K HN -0.124 nan 8.250 nan 0.000 0.479 201 L N 4.283 125.260 121.223 -0.409 0.000 2.377 201 L HA 0.284 4.624 4.340 -0.000 0.000 0.270 201 L C -1.392 175.228 176.870 -0.416 0.000 0.991 201 L CA -0.479 54.171 54.840 -0.318 0.000 0.851 201 L CB 0.474 42.393 42.059 -0.234 0.000 1.218 201 L HN 0.415 nan 8.230 nan 0.000 0.420 202 Y N 2.850 123.014 120.300 -0.226 0.000 2.314 202 Y HA 0.452 5.002 4.550 -0.000 0.000 0.334 202 Y C 0.476 176.246 175.900 -0.217 0.000 1.266 202 Y CA -0.004 57.903 58.100 -0.322 0.000 1.391 202 Y CB 0.978 38.913 38.460 -0.876 0.000 1.306 202 Y HN 0.486 nan 8.280 nan 0.000 0.558 203 C N 1.935 121.283 119.300 0.080 0.000 2.431 203 C HA 0.661 5.121 4.460 -0.000 0.000 0.321 203 C C -0.870 174.161 174.990 0.069 0.000 1.202 203 C CA -1.103 57.969 59.018 0.089 0.000 1.398 203 C CB 0.485 28.348 27.740 0.205 0.000 2.047 203 C HN 0.508 nan 8.230 nan 0.000 0.465 204 V N 3.951 123.884 119.914 0.032 0.000 2.407 204 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 204 V C -0.940 175.169 176.094 0.025 0.000 1.018 204 V CA -0.624 61.697 62.300 0.035 0.000 0.842 204 V CB 1.179 33.006 31.823 0.007 0.000 0.996 204 V HN 0.802 nan 8.190 nan 0.000 0.426 205 Y N 4.782 125.053 120.300 -0.049 0.000 2.328 205 Y HA 0.670 5.220 4.550 -0.000 0.000 0.337 205 Y C -0.407 175.470 175.900 -0.039 0.000 0.966 205 Y CA -0.717 57.348 58.100 -0.058 0.000 1.136 205 Y CB 1.779 40.218 38.460 -0.034 0.000 1.170 205 Y HN 0.426 nan 8.280 nan 0.000 0.470 206 V N 6.601 126.218 119.914 -0.496 0.000 2.318 206 V HA 0.554 4.674 4.120 -0.000 0.000 0.271 206 V C 0.059 175.933 176.094 -0.367 0.000 1.030 206 V CA -0.645 61.493 62.300 -0.269 0.000 0.844 206 V CB 0.630 32.391 31.823 -0.103 0.000 1.015 206 V HN 0.921 nan 8.190 nan 0.000 0.460 207 A N 5.583 128.340 122.820 -0.105 0.000 2.316 207 A HA 0.690 5.010 4.320 -0.000 0.000 0.311 207 A C -0.345 177.238 177.584 -0.002 0.000 1.339 207 A CA -0.323 51.721 52.037 0.012 0.000 0.960 207 A CB 0.330 19.452 19.000 0.204 0.000 1.152 207 A HN 0.688 nan 8.150 nan 0.000 0.547 208 V N 2.456 122.356 119.914 -0.025 0.000 2.376 208 V HA 0.632 4.752 4.120 -0.000 0.000 0.287 208 V C 1.128 177.232 176.094 0.016 0.000 1.015 208 V CA 0.364 62.660 62.300 -0.008 0.000 0.834 208 V CB 0.565 32.371 31.823 -0.029 0.000 1.001 208 V HN 1.724 nan 8.190 nan 0.000 0.428 209 G N 3.885 112.703 108.800 0.030 0.000 2.159 209 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.256 209 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.256 209 G C 0.128 175.051 174.900 0.039 0.000 0.977 209 G CA 0.303 45.426 45.100 0.038 0.000 0.652 209 G HN 0.667 nan 8.290 nan 0.000 0.531 210 Q N 0.347 120.174 119.800 0.045 0.000 2.312 210 Q HA 0.496 4.836 4.340 -0.000 0.000 0.236 210 Q C 0.707 176.734 176.000 0.045 0.000 0.965 210 Q CA -0.261 55.572 55.803 0.051 0.000 0.894 210 Q CB 0.824 29.607 28.738 0.074 0.000 1.225 210 Q HN 0.638 nan 8.270 nan 0.000 0.478 211 K N 0.592 121.016 120.400 0.040 0.000 2.219 211 K HA 0.182 4.502 4.320 -0.000 0.000 0.258 211 K C 0.475 177.096 176.600 0.035 0.000 1.008 211 K CA -0.521 55.786 56.287 0.034 0.000 0.928 211 K CB 1.030 33.547 32.500 0.028 0.000 0.983 211 K HN 0.437 nan 8.250 nan 0.000 0.484 212 R N 0.568 121.086 120.500 0.029 0.000 2.066 212 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 212 R C 2.509 178.823 176.300 0.022 0.000 1.131 212 R CA 1.947 58.063 56.100 0.027 0.000 0.955 212 R CB -0.489 29.824 30.300 0.022 0.000 0.851 212 R HN 0.936 nan 8.270 nan 0.000 0.432 213 S N 0.099 115.810 115.700 0.019 0.000 2.400 213 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 213 S C 1.941 176.550 174.600 0.015 0.000 1.025 213 S CA 1.778 59.986 58.200 0.014 0.000 0.993 213 S CB -0.476 62.732 63.200 0.013 0.000 0.808 213 S HN 0.190 nan 8.310 nan 0.000 0.478 214 T N 2.200 116.768 114.554 0.023 0.000 2.674 214 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 214 T C 1.870 176.582 174.700 0.019 0.000 1.039 214 T CA 1.620 63.735 62.100 0.026 0.000 1.150 214 T CB -0.611 68.281 68.868 0.039 0.000 0.864 214 T HN 0.322 nan 8.240 nan 0.000 0.427 215 V N 1.622 121.555 119.914 0.032 0.000 2.407 215 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 215 V C 2.801 178.892 176.094 -0.005 0.000 1.055 215 V CA 1.637 63.954 62.300 0.028 0.000 1.049 215 V CB -1.135 30.725 31.823 0.061 0.000 0.662 215 V HN 0.522 nan 8.190 nan 0.000 0.455 216 A N -0.473 122.347 122.820 0.000 0.000 1.930 216 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 216 A C 2.169 179.741 177.584 -0.020 0.000 1.175 216 A CA 1.863 53.895 52.037 -0.009 0.000 0.627 216 A CB -0.459 18.540 19.000 -0.003 0.000 0.815 216 A HN 0.508 nan 8.150 nan 0.000 0.443 217 Q N -0.791 118.999 119.800 -0.016 0.000 2.230 217 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 217 Q C 1.722 177.700 176.000 -0.037 0.000 0.963 217 Q CA 1.241 57.033 55.803 -0.019 0.000 0.866 217 Q CB -0.387 28.349 28.738 -0.003 0.000 0.931 217 Q HN 0.532 nan 8.270 nan 0.000 0.452 218 L N -1.090 120.099 121.223 -0.057 0.000 2.044 218 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 218 L C 1.980 178.778 176.870 -0.120 0.000 1.075 218 L CA 1.289 56.061 54.840 -0.113 0.000 0.747 218 L CB -0.604 41.333 42.059 -0.204 0.000 0.903 218 L HN 0.087 nan 8.230 nan 0.000 0.435 219 V N -0.224 119.633 119.914 -0.096 0.000 2.343 219 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 219 V C 2.581 178.635 176.094 -0.066 0.000 1.051 219 V CA 2.035 64.286 62.300 -0.082 0.000 1.036 219 V CB -0.678 31.112 31.823 -0.055 0.000 0.654 219 V HN 0.644 nan 8.190 nan 0.000 0.451 220 Q N -0.528 119.240 119.800 -0.053 0.000 2.152 220 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 220 Q C 2.212 178.182 176.000 -0.051 0.000 0.985 220 Q CA 2.273 58.047 55.803 -0.048 0.000 0.863 220 Q CB -0.155 28.559 28.738 -0.040 0.000 0.904 220 Q HN 0.642 nan 8.270 nan 0.000 0.422 221 T N 0.887 115.406 114.554 -0.058 0.000 2.812 221 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 221 T C 1.774 176.473 174.700 -0.002 0.000 1.042 221 T CA 0.975 63.044 62.100 -0.052 0.000 1.140 221 T CB -0.079 68.729 68.868 -0.100 0.000 0.870 221 T HN 0.238 nan 8.240 nan 0.000 0.445 222 L N 0.505 121.694 121.223 -0.058 0.000 2.093 222 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 222 L C 2.670 179.504 176.870 -0.060 0.000 1.085 222 L CA 1.295 56.093 54.840 -0.070 0.000 0.755 222 L CB -0.464 41.518 42.059 -0.129 0.000 0.904 222 L HN 0.288 nan 8.230 nan 0.000 0.435 223 E N -0.131 120.031 120.200 -0.064 0.000 2.058 223 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 223 E C 2.257 178.821 176.600 -0.060 0.000 0.997 223 E CA 1.420 57.782 56.400 -0.064 0.000 0.801 223 E CB -0.043 29.622 29.700 -0.058 0.000 0.746 223 E HN 0.437 nan 8.360 nan 0.000 0.450 224 Q N -0.695 119.073 119.800 -0.053 0.000 2.226 224 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 224 Q C 0.918 176.792 176.000 -0.211 0.000 0.975 224 Q CA 1.213 56.946 55.803 -0.117 0.000 0.866 224 Q CB 0.084 28.744 28.738 -0.129 0.000 0.915 224 Q HN 0.373 nan 8.270 nan 0.000 0.440 225 H N -0.859 118.148 119.070 -0.106 0.000 2.505 225 H HA 0.089 4.645 4.556 -0.000 0.000 0.289 225 H C -0.612 174.671 175.328 -0.076 0.000 1.052 225 H CA 0.133 56.133 56.048 -0.080 0.000 1.156 225 H CB 0.380 30.103 29.762 -0.064 0.000 1.507 225 H HN 0.140 nan 8.280 nan 0.000 0.548 226 D N 0.053 120.436 120.400 -0.028 0.000 2.686 226 D HA -0.226 4.414 4.640 -0.000 0.000 0.235 226 D C 0.721 176.944 176.300 -0.127 0.000 1.160 226 D CA 0.799 54.762 54.000 -0.061 0.000 0.645 226 D CB -0.920 39.861 40.800 -0.032 0.000 1.039 226 D HN 0.538 nan 8.370 nan 0.000 0.423 227 A N -0.242 122.437 122.820 -0.235 0.000 2.358 227 A HA 0.182 4.502 4.320 -0.000 0.000 0.223 227 A C 1.982 179.150 177.584 -0.694 0.000 1.218 227 A CA 0.188 51.849 52.037 -0.628 0.000 0.942 227 A CB 0.078 18.882 19.000 -0.327 0.000 1.005 227 A HN 0.278 nan 8.150 nan 0.000 0.514 228 M N 1.495 120.892 119.600 -0.339 0.000 2.106 228 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 228 M C 2.199 178.367 176.300 -0.220 0.000 1.068 228 M CA 2.118 57.280 55.300 -0.230 0.000 1.100 228 M CB -0.904 31.620 32.600 -0.126 0.000 1.351 228 M HN 0.701 nan 8.290 nan 0.000 0.404 229 K N 0.374 120.647 120.400 -0.212 0.000 2.286 229 K HA -0.199 4.121 4.320 -0.000 0.000 0.203 229 K C 0.892 177.528 176.600 0.060 0.000 1.045 229 K CA 1.703 57.955 56.287 -0.059 0.000 0.935 229 K CB -0.685 31.813 32.500 -0.003 0.000 0.737 229 K HN 0.541 nan 8.250 nan 0.000 0.460 230 Y N -0.584 119.767 120.300 0.086 0.000 2.681 230 Y HA 0.531 5.081 4.550 -0.000 0.000 0.267 230 Y C -0.317 175.653 175.900 0.117 0.000 1.166 230 Y CA -1.180 57.007 58.100 0.144 0.000 1.209 230 Y CB 0.237 38.750 38.460 0.087 0.000 1.161 230 Y HN -0.128 nan 8.280 nan 0.000 0.534 231 S N 0.952 116.703 115.700 0.084 0.000 2.566 231 S HA 0.751 5.221 4.470 -0.000 0.000 0.298 231 S C -0.842 173.797 174.600 0.065 0.000 1.083 231 S CA -0.675 57.566 58.200 0.070 0.000 0.978 231 S CB 1.847 65.024 63.200 -0.039 0.000 1.073 231 S HN 0.249 nan 8.310 nan 0.000 0.491 232 I N 2.300 122.918 120.570 0.080 0.000 2.498 232 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 232 I C -1.035 175.135 176.117 0.087 0.000 1.032 232 I CA -0.567 60.779 61.300 0.077 0.000 1.073 232 I CB 1.537 39.596 38.000 0.099 0.000 1.251 232 I HN 0.368 nan 8.210 nan 0.000 0.426 233 I N 6.799 127.415 120.570 0.076 0.000 2.330 233 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 233 I C -0.232 175.934 176.117 0.081 0.000 1.001 233 I CA -0.656 60.710 61.300 0.111 0.000 1.193 233 I CB 1.568 39.623 38.000 0.092 0.000 1.345 233 I HN 0.154 nan 8.210 nan 0.000 0.461 234 V N 6.176 126.137 119.914 0.077 0.000 2.333 234 V HA 0.545 4.665 4.120 -0.000 0.000 0.274 234 V C 0.521 176.641 176.094 0.042 0.000 1.028 234 V CA -0.485 61.840 62.300 0.041 0.000 0.851 234 V CB 1.336 33.173 31.823 0.022 0.000 1.000 234 V HN 0.844 nan 8.190 nan 0.000 0.456 235 A N 4.747 127.589 122.820 0.037 0.000 2.360 235 A HA 0.818 5.138 4.320 -0.000 0.000 0.309 235 A C 0.135 177.730 177.584 0.018 0.000 1.311 235 A CA -0.341 51.721 52.037 0.042 0.000 0.805 235 A CB 0.857 19.892 19.000 0.058 0.000 1.144 235 A HN 1.099 nan 8.150 nan 0.000 0.486 236 A N 3.142 125.966 122.820 0.008 0.000 2.322 236 A HA 0.645 4.965 4.320 -0.000 0.000 0.327 236 A C 0.655 178.249 177.584 0.017 0.000 1.394 236 A CA 0.100 52.137 52.037 0.000 0.000 0.921 236 A CB -0.321 18.669 19.000 -0.017 0.000 1.153 236 A HN 1.120 nan 8.150 nan 0.000 0.523 237 T N -1.029 113.539 114.554 0.023 0.000 2.884 237 T HA 0.598 4.948 4.350 -0.000 0.000 0.277 237 T C 1.593 176.312 174.700 0.033 0.000 0.976 237 T CA 0.002 62.120 62.100 0.031 0.000 0.956 237 T CB 1.043 69.930 68.868 0.033 0.000 1.113 237 T HN 1.078 nan 8.240 nan 0.000 0.554 238 A N 1.121 123.962 122.820 0.034 0.000 1.915 238 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 238 A C 2.157 179.761 177.584 0.033 0.000 1.198 238 A CA 2.391 54.449 52.037 0.034 0.000 0.647 238 A CB -1.470 17.549 19.000 0.032 0.000 0.825 238 A HN 1.393 nan 8.150 nan 0.000 0.456 239 S N -0.279 115.439 115.700 0.030 0.000 2.519 239 S HA 0.377 4.847 4.470 -0.000 0.000 0.245 239 S C -0.209 174.410 174.600 0.032 0.000 1.152 239 S CA -0.597 57.620 58.200 0.029 0.000 1.175 239 S CB -0.208 63.007 63.200 0.025 0.000 0.829 239 S HN 0.535 nan 8.310 nan 0.000 0.472 240 E N 1.037 121.258 120.200 0.036 0.000 2.244 240 E HA 0.618 4.967 4.350 -0.000 0.000 0.266 240 E C -0.339 176.292 176.600 0.052 0.000 0.914 240 E CA -1.136 55.287 56.400 0.038 0.000 0.794 240 E CB 1.985 31.700 29.700 0.025 0.000 1.210 240 E HN 0.459 nan 8.360 nan 0.000 0.414 241 A N 1.480 124.340 122.820 0.067 0.000 2.587 241 A HA 0.129 4.449 4.320 -0.000 0.000 0.235 241 A C 1.304 178.953 177.584 0.108 0.000 1.044 241 A CA 0.877 52.972 52.037 0.098 0.000 0.754 241 A CB 0.139 19.229 19.000 0.151 0.000 0.968 241 A HN 0.825 nan 8.150 nan 0.000 0.509 242 A N 4.368 127.259 122.820 0.118 0.000 1.927 242 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 242 A C -0.022 177.691 177.584 0.216 0.000 1.185 242 A CA 2.171 54.293 52.037 0.142 0.000 0.639 242 A CB -1.696 17.373 19.000 0.116 0.000 0.820 242 A HN 0.659 nan 8.150 nan 0.000 0.451 243 P HA -0.154 nan 4.420 nan 0.000 0.216 243 P C 1.439 178.859 177.300 0.200 0.000 1.150 243 P CA 0.940 64.281 63.100 0.401 0.000 0.843 243 P CB -0.167 31.860 31.700 0.545 0.000 0.787 244 L N -0.977 120.236 121.223 -0.016 0.000 2.046 244 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 244 L C 2.653 179.502 176.870 -0.036 0.000 1.077 244 L CA 1.591 56.336 54.840 -0.158 0.000 0.747 244 L CB -0.999 40.959 42.059 -0.168 0.000 0.896 244 L HN 0.016 nan 8.230 nan 0.000 0.432 245 Q N -0.990 118.840 119.800 0.049 0.000 2.124 245 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 245 Q C 2.125 178.196 176.000 0.119 0.000 0.977 245 Q CA 1.877 57.722 55.803 0.070 0.000 0.850 245 Q CB -0.301 28.494 28.738 0.094 0.000 0.901 245 Q HN 0.532 nan 8.270 nan 0.000 0.429 246 Y N 0.772 121.130 120.300 0.096 0.000 2.242 246 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 246 Y C 1.659 177.682 175.900 0.204 0.000 1.137 246 Y CA 1.163 59.365 58.100 0.170 0.000 1.181 246 Y CB -0.262 38.353 38.460 0.258 0.000 0.989 246 Y HN -0.011 nan 8.280 nan 0.000 0.527 247 L N -0.138 120.940 121.223 -0.242 0.000 2.131 247 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 247 L C 2.805 179.602 176.870 -0.121 0.000 1.087 247 L CA 0.891 55.558 54.840 -0.288 0.000 0.767 247 L CB -0.908 41.018 42.059 -0.222 0.000 0.917 247 L HN 0.398 nan 8.230 nan 0.000 0.441 248 A N 1.079 123.832 122.820 -0.113 0.000 1.884 248 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 248 A C -0.148 177.371 177.584 -0.109 0.000 1.197 248 A CA 2.135 54.120 52.037 -0.087 0.000 0.637 248 A CB -1.939 17.024 19.000 -0.062 0.000 0.827 248 A HN 0.281 nan 8.150 nan 0.000 0.450 249 P HA -0.152 nan 4.420 nan 0.000 0.215 249 P C 1.084 178.174 177.300 -0.350 0.000 1.157 249 P CA 1.369 64.250 63.100 -0.365 0.000 0.874 249 P CB -0.231 30.978 31.700 -0.819 0.000 0.790 250 F N -1.308 118.529 119.950 -0.189 0.000 2.146 250 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 250 F C 2.569 178.327 175.800 -0.071 0.000 1.096 250 F CA 1.428 59.338 58.000 -0.149 0.000 1.275 250 F CB -1.952 36.913 39.000 -0.224 0.000 1.008 250 F HN -0.102 nan 8.300 nan 0.000 0.480 251 T N -0.136 114.478 114.554 0.099 0.000 2.665 251 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 251 T C 2.219 176.955 174.700 0.060 0.000 1.035 251 T CA 1.621 63.753 62.100 0.054 0.000 1.151 251 T CB -0.511 68.362 68.868 0.008 0.000 0.862 251 T HN 0.306 nan 8.240 nan 0.000 0.438 252 A N 0.796 123.651 122.820 0.058 0.000 1.929 252 A HA 0.287 4.607 4.320 -0.000 0.000 0.216 252 A C 2.615 180.262 177.584 0.105 0.000 1.176 252 A CA 1.732 53.812 52.037 0.072 0.000 0.628 252 A CB -1.036 17.999 19.000 0.057 0.000 0.816 252 A HN 0.542 nan 8.150 nan 0.000 0.444 253 A N -0.193 122.708 122.820 0.135 0.000 1.978 253 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 253 A C 2.407 180.070 177.584 0.132 0.000 1.170 253 A CA 2.188 54.315 52.037 0.150 0.000 0.636 253 A CB -0.775 18.321 19.000 0.159 0.000 0.810 253 A HN 0.465 nan 8.150 nan 0.000 0.448 254 S N -0.249 115.522 115.700 0.118 0.000 2.368 254 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 254 S C 1.797 176.477 174.600 0.133 0.000 1.029 254 S CA 1.285 59.551 58.200 0.111 0.000 0.988 254 S CB -0.465 62.786 63.200 0.086 0.000 0.838 254 S HN 0.554 nan 8.310 nan 0.000 0.462 255 I N 1.695 122.340 120.570 0.125 0.000 2.163 255 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 255 I C 2.680 178.963 176.117 0.278 0.000 1.085 255 I CA 1.352 62.738 61.300 0.144 0.000 1.347 255 I CB -0.780 37.288 38.000 0.113 0.000 1.044 255 I HN 0.392 nan 8.210 nan 0.000 0.408 256 G N -0.290 108.669 108.800 0.265 0.000 2.443 256 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 256 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 256 G C 1.529 176.638 174.900 0.347 0.000 1.131 256 G CA 0.404 45.706 45.100 0.336 0.000 0.775 256 G HN 0.399 nan 8.290 nan 0.000 0.547 257 E N -0.880 119.458 120.200 0.230 0.000 2.274 257 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 257 E C 1.836 178.512 176.600 0.126 0.000 0.996 257 E CA 0.104 56.598 56.400 0.156 0.000 0.840 257 E CB -0.145 29.619 29.700 0.105 0.000 0.772 257 E HN 0.678 nan 8.360 nan 0.000 0.491 258 W N 0.333 121.607 121.300 -0.043 0.000 2.338 258 W HA -0.238 4.422 4.660 -0.000 0.000 0.304 258 W C 1.278 177.660 176.519 -0.230 0.000 1.212 258 W CA 1.487 58.715 57.345 -0.195 0.000 1.264 258 W CB -0.288 28.954 29.460 -0.363 0.000 1.142 258 W HN -0.010 nan 8.180 nan 0.000 0.512 259 F N 0.527 120.617 119.950 0.234 0.000 2.046 259 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 259 F C 2.837 178.532 175.800 -0.175 0.000 1.123 259 F CA 2.394 60.416 58.000 0.037 0.000 1.199 259 F CB -1.475 37.652 39.000 0.213 0.000 0.972 259 F HN -0.203 nan 8.300 nan 0.000 0.474 260 R N 0.571 121.139 120.500 0.112 0.000 2.096 260 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 260 R C 1.516 177.744 176.300 -0.120 0.000 1.139 260 R CA 2.239 58.338 56.100 -0.002 0.000 0.952 260 R CB -0.596 29.732 30.300 0.047 0.000 0.854 260 R HN 0.181 nan 8.270 nan 0.000 0.436 261 D N -0.002 120.294 120.400 -0.174 0.000 2.371 261 D HA -0.041 4.599 4.640 -0.000 0.000 0.221 261 D C 0.174 176.266 176.300 -0.347 0.000 0.986 261 D CA 0.726 54.592 54.000 -0.224 0.000 0.899 261 D CB -0.034 40.647 40.800 -0.198 0.000 0.902 261 D HN 0.242 nan 8.370 nan 0.000 0.530 262 N N -0.376 118.026 118.700 -0.497 0.000 2.480 262 N HA 0.179 4.919 4.740 -0.000 0.000 0.281 262 N C 0.685 175.983 175.510 -0.354 0.000 1.381 262 N CA 0.088 52.811 53.050 -0.546 0.000 0.903 262 N CB 1.392 39.249 38.487 -1.050 0.000 1.274 262 N HN 0.038 nan 8.380 nan 0.000 0.505 263 G N 1.146 109.792 108.800 -0.256 0.000 2.168 263 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 263 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 263 G C 0.240 174.967 174.900 -0.288 0.000 0.997 263 G CA 0.788 45.764 45.100 -0.207 0.000 0.708 263 G HN 0.353 nan 8.290 nan 0.000 0.520 264 K N -0.908 119.299 120.400 -0.323 0.000 2.307 264 K HA 0.771 5.091 4.320 -0.000 0.000 0.239 264 K C -0.343 175.918 176.600 -0.564 0.000 1.083 264 K CA -1.017 55.076 56.287 -0.323 0.000 0.913 264 K CB 1.091 33.685 32.500 0.157 0.000 1.322 264 K HN 0.293 nan 8.250 nan 0.000 0.514 265 H N -0.716 118.463 119.070 0.182 0.000 2.759 265 H HA 0.571 5.127 4.556 -0.000 0.000 0.354 265 H C -1.375 173.989 175.328 0.059 0.000 1.074 265 H CA -0.893 55.198 56.048 0.072 0.000 1.226 265 H CB 1.987 31.727 29.762 -0.038 0.000 1.648 265 H HN 0.684 nan 8.280 nan 0.000 0.529 266 A N 2.882 125.781 122.820 0.131 0.000 2.422 266 A HA 0.486 4.806 4.320 -0.000 0.000 0.302 266 A C -1.398 176.185 177.584 -0.001 0.000 1.041 266 A CA -0.659 51.388 52.037 0.017 0.000 0.708 266 A CB 1.985 20.980 19.000 -0.010 0.000 1.257 266 A HN 0.446 nan 8.150 nan 0.000 0.414 267 L N 2.554 123.753 121.223 -0.040 0.000 2.295 267 L HA 0.788 5.128 4.340 -0.000 0.000 0.285 267 L C -0.716 176.101 176.870 -0.089 0.000 1.035 267 L CA -0.405 54.399 54.840 -0.059 0.000 0.806 267 L CB 1.048 43.077 42.059 -0.049 0.000 1.214 267 L HN 0.660 nan 8.230 nan 0.000 0.426 268 I N 5.237 125.703 120.570 -0.173 0.000 2.436 268 I HA 0.544 4.714 4.170 -0.000 0.000 0.289 268 I C -1.306 174.523 176.117 -0.480 0.000 1.010 268 I CA -0.663 60.439 61.300 -0.331 0.000 1.098 268 I CB 1.782 39.517 38.000 -0.442 0.000 1.266 268 I HN 0.381 nan 8.210 nan 0.000 0.434 269 V N 7.926 127.579 119.914 -0.436 0.000 2.357 269 V HA 0.334 4.454 4.120 -0.000 0.000 0.284 269 V C -1.125 174.640 176.094 -0.548 0.000 1.018 269 V CA -0.494 61.567 62.300 -0.398 0.000 0.841 269 V CB 1.060 32.780 31.823 -0.171 0.000 0.991 269 V HN 0.483 nan 8.190 nan 0.000 0.437 270 Y N 2.451 122.586 120.300 -0.274 0.000 2.434 270 Y HA 0.493 5.043 4.550 -0.000 0.000 0.341 270 Y C 0.297 176.013 175.900 -0.308 0.000 0.965 270 Y CA -1.068 56.843 58.100 -0.315 0.000 1.205 270 Y CB 0.948 39.233 38.460 -0.291 0.000 1.121 270 Y HN 0.554 nan 8.280 nan 0.000 0.507 271 D N 3.685 123.936 120.400 -0.249 0.000 2.434 271 D HA 0.212 4.852 4.640 -0.000 0.000 0.275 271 D C -1.327 174.906 176.300 -0.112 0.000 1.172 271 D CA -0.315 53.564 54.000 -0.202 0.000 0.916 271 D CB 0.119 40.730 40.800 -0.315 0.000 1.041 271 D HN 0.729 nan 8.370 nan 0.000 0.501 272 D N -0.324 120.036 120.400 -0.066 0.000 2.596 272 D HA 0.207 4.847 4.640 -0.000 0.000 0.262 272 D C 0.883 177.138 176.300 -0.075 0.000 1.210 272 D CA -0.730 53.228 54.000 -0.069 0.000 0.873 272 D CB 0.964 41.735 40.800 -0.049 0.000 1.408 272 D HN -0.032 nan 8.370 nan 0.000 0.441 273 L N 0.241 121.388 121.223 -0.126 0.000 2.395 273 L HA -0.034 4.306 4.340 -0.000 0.000 0.218 273 L C 1.714 178.592 176.870 0.014 0.000 1.130 273 L CA 0.637 55.365 54.840 -0.186 0.000 0.826 273 L CB -0.552 41.201 42.059 -0.510 0.000 0.941 273 L HN 0.452 nan 8.230 nan 0.000 0.451 274 S N 0.535 116.245 115.700 0.017 0.000 2.351 274 S HA -0.214 4.256 4.470 -0.000 0.000 0.220 274 S C 1.903 176.569 174.600 0.109 0.000 1.035 274 S CA 1.421 59.664 58.200 0.072 0.000 1.031 274 S CB -0.166 63.061 63.200 0.045 0.000 0.928 274 S HN 0.405 nan 8.310 nan 0.000 0.433 275 K N 1.009 121.453 120.400 0.073 0.000 2.097 275 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 275 K C 2.511 179.181 176.600 0.115 0.000 1.049 275 K CA 1.100 57.439 56.287 0.086 0.000 0.933 275 K CB -0.207 32.325 32.500 0.053 0.000 0.717 275 K HN 0.414 nan 8.250 nan 0.000 0.442 276 Q N 0.899 120.762 119.800 0.104 0.000 2.020 276 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 276 Q C 2.144 178.291 176.000 0.246 0.000 0.982 276 Q CA 1.697 57.590 55.803 0.151 0.000 0.838 276 Q CB -0.185 28.601 28.738 0.081 0.000 0.899 276 Q HN 0.317 nan 8.270 nan 0.000 0.423 277 A N 0.239 123.211 122.820 0.253 0.000 1.927 277 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 277 A C 2.256 180.095 177.584 0.425 0.000 1.185 277 A CA 1.903 54.102 52.037 0.270 0.000 0.639 277 A CB -1.016 18.070 19.000 0.143 0.000 0.820 277 A HN 0.348 nan 8.150 nan 0.000 0.451 278 V N -0.551 119.555 119.914 0.319 0.000 2.343 278 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 278 V C 3.043 179.238 176.094 0.169 0.000 1.051 278 V CA 2.064 64.501 62.300 0.228 0.000 1.036 278 V CB -1.074 30.843 31.823 0.157 0.000 0.654 278 V HN 0.662 nan 8.190 nan 0.000 0.451 279 A N -1.239 121.695 122.820 0.190 0.000 1.898 279 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 279 A C 2.157 179.859 177.584 0.196 0.000 1.181 279 A CA 1.830 53.972 52.037 0.176 0.000 0.620 279 A CB -0.820 18.299 19.000 0.199 0.000 0.819 279 A HN 0.576 nan 8.150 nan 0.000 0.442 280 Y N 0.618 120.991 120.300 0.120 0.000 2.114 280 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 280 Y C 2.523 178.436 175.900 0.022 0.000 1.165 280 Y CA 2.218 60.335 58.100 0.029 0.000 1.148 280 Y CB -0.436 38.075 38.460 0.085 0.000 0.972 280 Y HN 0.354 nan 8.280 nan 0.000 0.504 281 R N -0.021 120.521 120.500 0.069 0.000 2.120 281 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 281 R C 2.435 178.650 176.300 -0.142 0.000 1.123 281 R CA 1.689 57.733 56.100 -0.093 0.000 0.975 281 R CB -0.321 29.876 30.300 -0.171 0.000 0.866 281 R HN 0.532 nan 8.270 nan 0.000 0.446 282 Q N 0.480 120.238 119.800 -0.070 0.000 2.079 282 Q HA -0.135 4.204 4.340 -0.000 0.000 0.200 282 Q C 2.195 178.142 176.000 -0.087 0.000 0.974 282 Q CA 1.241 57.008 55.803 -0.061 0.000 0.840 282 Q CB 0.004 28.738 28.738 -0.008 0.000 0.898 282 Q HN 0.419 nan 8.270 nan 0.000 0.430 283 L N 0.079 121.236 121.223 -0.111 0.000 1.990 283 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 283 L C 2.664 179.416 176.870 -0.198 0.000 1.072 283 L CA 1.380 56.135 54.840 -0.142 0.000 0.755 283 L CB -0.633 41.308 42.059 -0.197 0.000 0.889 283 L HN 0.209 nan 8.230 nan 0.000 0.432 284 S N -0.158 115.349 115.700 -0.322 0.000 2.356 284 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 284 S C 1.965 176.466 174.600 -0.166 0.000 1.032 284 S CA 1.161 59.182 58.200 -0.298 0.000 1.005 284 S CB -0.208 62.748 63.200 -0.407 0.000 0.867 284 S HN 0.251 nan 8.310 nan 0.000 0.449 285 L N 1.021 122.158 121.223 -0.143 0.000 2.046 285 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 285 L C 2.239 179.064 176.870 -0.074 0.000 1.077 285 L CA 1.023 55.805 54.840 -0.097 0.000 0.747 285 L CB -0.646 41.356 42.059 -0.094 0.000 0.896 285 L HN 0.296 nan 8.230 nan 0.000 0.432 286 L N -0.414 120.766 121.223 -0.072 0.000 2.083 286 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 286 L C 2.281 179.126 176.870 -0.042 0.000 1.083 286 L CA 1.133 55.944 54.840 -0.048 0.000 0.752 286 L CB -0.418 41.619 42.059 -0.038 0.000 0.899 286 L HN 0.283 nan 8.230 nan 0.000 0.433 287 L N -0.648 120.542 121.223 -0.055 0.000 2.610 287 L HA 0.013 4.353 4.340 -0.000 0.000 0.232 287 L C 0.855 177.701 176.870 -0.040 0.000 1.149 287 L CA 0.197 55.011 54.840 -0.043 0.000 0.872 287 L CB -0.190 41.836 42.059 -0.054 0.000 0.992 287 L HN 0.283 nan 8.230 nan 0.000 0.447 288 R N -0.014 120.459 120.500 -0.046 0.000 3.872 288 R HA -0.131 4.209 4.340 -0.000 0.000 0.341 288 R C -0.039 176.240 176.300 -0.034 0.000 1.172 288 R CA 0.401 56.480 56.100 -0.036 0.000 0.901 288 R CB -1.449 28.838 30.300 -0.022 0.000 1.422 288 R HN 0.412 nan 8.270 nan 0.000 0.523 289 R N 1.188 121.660 120.500 -0.048 0.000 2.582 289 R HA 0.199 4.539 4.340 -0.000 0.000 0.271 289 R C -2.050 174.232 176.300 -0.030 0.000 1.078 289 R CA -1.557 54.521 56.100 -0.037 0.000 1.127 289 R CB 0.187 30.456 30.300 -0.052 0.000 1.038 289 R HN -0.124 nan 8.270 nan 0.000 0.500 290 P HA 0.051 nan 4.420 nan 0.000 0.263 290 P C -2.280 175.019 177.300 -0.002 0.000 1.195 290 P CA -0.802 62.294 63.100 -0.006 0.000 0.762 290 P CB 0.031 31.734 31.700 0.005 0.000 0.799 291 P HA 0.399 nan 4.420 nan 0.000 0.279 291 P C -0.017 177.285 177.300 0.004 0.000 1.252 291 P CA -0.103 62.992 63.100 -0.008 0.000 0.811 291 P CB 1.594 33.274 31.700 -0.032 0.000 1.035 292 G N 0.473 109.285 108.800 0.020 0.000 3.214 292 G HA2 0.375 4.335 3.960 -0.000 0.000 0.188 292 G HA3 0.375 4.335 3.960 -0.000 0.000 0.188 292 G C -0.805 174.078 174.900 -0.028 0.000 1.126 292 G CA -0.873 44.224 45.100 -0.006 0.000 0.796 292 G HN 0.612 nan 8.290 nan 0.000 0.631 293 R N 0.529 120.958 120.500 -0.119 0.000 2.504 293 R HA 0.146 4.485 4.340 -0.000 0.000 0.291 293 R C 0.212 176.509 176.300 -0.005 0.000 0.974 293 R CA 1.469 57.473 56.100 -0.160 0.000 1.077 293 R CB -0.282 29.774 30.300 -0.408 0.000 0.926 293 R HN 0.705 nan 8.270 nan 0.000 0.407 294 E N 2.582 122.804 120.200 0.038 0.000 3.496 294 E HA -0.334 4.016 4.350 -0.000 0.000 0.300 294 E C 0.300 176.871 176.600 -0.048 0.000 0.877 294 E CA 0.698 57.155 56.400 0.095 0.000 1.050 294 E CB -1.148 28.748 29.700 0.327 0.000 1.532 294 E HN 0.945 nan 8.360 nan 0.000 0.447 295 A N -2.337 120.454 122.820 -0.048 0.000 3.172 295 A HA -0.303 4.017 4.320 -0.000 0.000 0.263 295 A C 0.076 177.564 177.584 -0.159 0.000 1.215 295 A CA 1.674 53.643 52.037 -0.113 0.000 1.065 295 A CB -2.188 16.721 19.000 -0.151 0.000 1.148 295 A HN 0.426 nan 8.150 nan 0.000 0.904 296 Y N 0.805 121.164 120.300 0.099 0.000 2.497 296 Y HA 0.389 4.939 4.550 -0.000 0.000 0.334 296 Y C -1.196 174.775 175.900 0.119 0.000 1.199 296 Y CA -0.944 57.244 58.100 0.147 0.000 1.425 296 Y CB 0.123 38.767 38.460 0.305 0.000 1.291 296 Y HN 0.268 nan 8.280 nan 0.000 0.562 297 P HA 0.001 nan 4.420 nan 0.000 0.269 297 P C 0.518 177.973 177.300 0.258 0.000 1.215 297 P CA -0.062 63.134 63.100 0.160 0.000 0.780 297 P CB 0.722 32.462 31.700 0.066 0.000 0.898 298 G N 0.919 109.835 108.800 0.192 0.000 3.155 298 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.213 298 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.213 298 G C 0.309 175.349 174.900 0.233 0.000 1.196 298 G CA -0.016 45.205 45.100 0.203 0.000 0.846 298 G HN 0.617 nan 8.290 nan 0.000 0.516 299 D N -0.833 119.740 120.400 0.290 0.000 2.650 299 D HA 0.032 4.672 4.640 -0.000 0.000 0.265 299 D C 1.334 177.845 176.300 0.352 0.000 1.339 299 D CA -0.507 53.697 54.000 0.340 0.000 0.816 299 D CB 0.080 41.095 40.800 0.357 0.000 1.091 299 D HN 0.011 nan 8.370 nan 0.000 0.483 300 V N -0.262 119.838 119.914 0.310 0.000 2.719 300 V HA 0.000 4.120 4.120 -0.000 0.000 0.252 300 V C 1.649 177.707 176.094 -0.059 0.000 1.065 300 V CA 0.995 63.380 62.300 0.142 0.000 1.086 300 V CB -0.669 31.232 31.823 0.130 0.000 0.700 300 V HN 0.238 nan 8.190 nan 0.000 0.467 301 F N -0.090 119.824 119.950 -0.061 0.000 2.206 301 F HA -0.130 4.397 4.527 0.000 0.000 0.298 301 F C 2.104 177.942 175.800 0.065 0.000 1.090 301 F CA 2.039 60.001 58.000 -0.063 0.000 1.323 301 F CB -0.500 38.495 39.000 -0.009 0.000 1.028 301 F HN 0.346 nan 8.300 nan 0.000 0.492 302 Y N 0.639 120.956 120.300 0.028 0.000 2.274 302 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 302 Y C 2.061 177.899 175.900 -0.103 0.000 1.145 302 Y CA 1.399 59.474 58.100 -0.042 0.000 1.203 302 Y CB -0.834 37.673 38.460 0.079 0.000 0.984 302 Y HN 0.223 nan 8.280 nan 0.000 0.533 303 L N -0.490 120.638 121.223 -0.159 0.000 2.042 303 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 303 L C 2.260 179.083 176.870 -0.079 0.000 1.076 303 L CA 2.244 56.947 54.840 -0.229 0.000 0.749 303 L CB -0.601 41.206 42.059 -0.421 0.000 0.893 303 L HN 0.320 nan 8.230 nan 0.000 0.432 304 H N -2.372 116.544 119.070 -0.256 0.000 2.497 304 H HA 0.010 4.566 4.556 -0.000 0.000 0.282 304 H C 2.275 177.407 175.328 -0.328 0.000 1.003 304 H CA 0.701 56.559 56.048 -0.316 0.000 1.307 304 H CB 0.265 29.839 29.762 -0.313 0.000 1.437 304 H HN 0.487 nan 8.280 nan 0.000 0.544 305 S N 0.651 116.183 115.700 -0.281 0.000 2.425 305 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 305 S C 1.950 176.482 174.600 -0.114 0.000 1.024 305 S CA 0.084 58.125 58.200 -0.264 0.000 0.951 305 S CB 0.028 62.956 63.200 -0.453 0.000 0.796 305 S HN 0.265 nan 8.310 nan 0.000 0.498 306 R N 0.363 120.794 120.500 -0.115 0.000 2.103 306 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 306 R C 2.317 178.618 176.300 0.002 0.000 1.142 306 R CA 1.731 57.779 56.100 -0.087 0.000 0.960 306 R CB -0.617 29.532 30.300 -0.251 0.000 0.858 306 R HN 0.483 nan 8.270 nan 0.000 0.439 307 L N 0.345 121.560 121.223 -0.013 0.000 2.127 307 L HA -0.025 4.315 4.340 -0.000 0.000 0.203 307 L C 1.839 178.644 176.870 -0.108 0.000 1.080 307 L CA 1.509 56.285 54.840 -0.108 0.000 0.768 307 L CB -0.081 41.700 42.059 -0.464 0.000 0.924 307 L HN 0.074 nan 8.230 nan 0.000 0.444 308 L N -0.806 120.348 121.223 -0.115 0.000 2.375 308 L HA 0.048 4.388 4.340 -0.000 0.000 0.215 308 L C 2.175 179.040 176.870 -0.009 0.000 1.108 308 L CA 0.273 55.081 54.840 -0.053 0.000 0.830 308 L CB -0.449 41.558 42.059 -0.087 0.000 0.959 308 L HN 0.223 nan 8.230 nan 0.000 0.457 309 E N 0.535 120.727 120.200 -0.013 0.000 2.478 309 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 309 E C 1.922 178.539 176.600 0.028 0.000 1.046 309 E CA 0.430 56.837 56.400 0.012 0.000 0.870 309 E CB 0.113 29.824 29.700 0.017 0.000 0.818 309 E HN 0.477 nan 8.360 nan 0.000 0.527 310 R N 0.596 121.117 120.500 0.034 0.000 2.193 310 R HA 0.084 4.423 4.340 -0.000 0.000 0.213 310 R C 0.981 177.313 176.300 0.054 0.000 1.055 310 R CA 0.324 56.454 56.100 0.049 0.000 0.995 310 R CB 0.097 30.436 30.300 0.065 0.000 0.893 310 R HN -0.071 nan 8.270 nan 0.000 0.459 311 A N 1.264 124.117 122.820 0.054 0.000 2.440 311 A HA 0.567 4.887 4.320 -0.000 0.000 0.251 311 A C -0.186 177.420 177.584 0.038 0.000 1.089 311 A CA 0.203 52.268 52.037 0.047 0.000 0.779 311 A CB 0.376 19.399 19.000 0.039 0.000 1.022 311 A HN 0.317 nan 8.150 nan 0.000 0.492 312 A N 2.030 124.874 122.820 0.040 0.000 2.599 312 A HA 0.626 4.946 4.320 -0.000 0.000 0.294 312 A C -0.828 176.784 177.584 0.047 0.000 1.055 312 A CA -0.721 51.339 52.037 0.038 0.000 0.683 312 A CB 0.849 19.870 19.000 0.036 0.000 1.278 312 A HN 0.971 nan 8.150 nan 0.000 0.412 313 K N 1.635 122.065 120.400 0.049 0.000 2.253 313 K HA 0.672 4.992 4.320 -0.000 0.000 0.277 313 K C -1.024 175.611 176.600 0.058 0.000 1.053 313 K CA -0.194 56.133 56.287 0.067 0.000 0.892 313 K CB 0.201 32.747 32.500 0.078 0.000 1.102 313 K HN 0.577 nan 8.250 nan 0.000 0.469 314 L N 3.150 124.406 121.223 0.055 0.000 2.418 314 L HA 0.286 4.626 4.340 -0.000 0.000 0.265 314 L C 0.546 177.438 176.870 0.038 0.000 1.143 314 L CA -0.585 54.275 54.840 0.034 0.000 0.809 314 L CB 1.230 43.297 42.059 0.013 0.000 1.124 314 L HN 0.864 nan 8.230 nan 0.000 0.456 315 S N 0.162 115.874 115.700 0.021 0.000 2.600 315 S HA 0.066 4.536 4.470 -0.000 0.000 0.265 315 S C 0.850 175.458 174.600 0.013 0.000 1.325 315 S CA -0.595 57.614 58.200 0.015 0.000 1.002 315 S CB 0.959 64.161 63.200 0.004 0.000 0.921 315 S HN 0.683 nan 8.310 nan 0.000 0.554 316 E N 0.854 121.060 120.200 0.009 0.000 2.097 316 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 316 E C 1.849 178.448 176.600 -0.001 0.000 1.000 316 E CA 1.298 57.703 56.400 0.008 0.000 0.804 316 E CB -0.191 29.510 29.700 0.002 0.000 0.740 316 E HN 0.715 nan 8.360 nan 0.000 0.454 317 K N 0.712 121.109 120.400 -0.005 0.000 2.281 317 K HA -0.193 4.127 4.320 -0.000 0.000 0.203 317 K C 1.115 177.707 176.600 -0.014 0.000 1.046 317 K CA 1.098 57.379 56.287 -0.009 0.000 0.938 317 K CB 0.100 32.595 32.500 -0.008 0.000 0.737 317 K HN -0.086 nan 8.250 nan 0.000 0.458 318 E N -1.643 118.549 120.200 -0.014 0.000 2.651 318 E HA 0.131 4.481 4.350 -0.000 0.000 0.208 318 E C 0.149 176.726 176.600 -0.037 0.000 0.997 318 E CA 0.415 56.800 56.400 -0.025 0.000 1.020 318 E CB 0.919 30.608 29.700 -0.019 0.000 1.052 318 E HN 0.420 nan 8.360 nan 0.000 0.465 319 G N -0.612 108.169 108.800 -0.033 0.000 2.259 319 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 319 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 319 G C 0.768 175.651 174.900 -0.028 0.000 1.001 319 G CA 0.011 45.083 45.100 -0.048 0.000 0.627 319 G HN 0.312 nan 8.290 nan 0.000 0.501 320 S N -0.631 115.071 115.700 0.003 0.000 3.270 320 S HA -0.157 4.313 4.470 -0.000 0.000 0.293 320 S C 1.582 176.227 174.600 0.075 0.000 1.278 320 S CA 1.634 59.869 58.200 0.057 0.000 1.038 320 S CB -1.436 61.816 63.200 0.086 0.000 1.218 320 S HN 2.200 nan 8.310 nan 0.000 0.659 321 G N 0.987 109.769 108.800 -0.030 0.000 2.634 321 G HA2 0.536 4.496 3.960 -0.000 0.000 0.255 321 G HA3 0.536 4.496 3.960 -0.000 0.000 0.255 321 G C -0.097 174.827 174.900 0.040 0.000 1.205 321 G CA 0.408 45.435 45.100 -0.123 0.000 0.884 321 G HN 1.262 nan 8.290 nan 0.000 0.549 322 S N -1.075 114.685 115.700 0.100 0.000 2.537 322 S HA 0.605 5.075 4.470 -0.000 0.000 0.270 322 S C -1.304 173.371 174.600 0.126 0.000 1.142 322 S CA -0.832 57.462 58.200 0.157 0.000 0.870 322 S CB 1.900 65.232 63.200 0.221 0.000 1.112 322 S HN 0.879 nan 8.310 nan 0.000 0.466 323 L N 1.425 122.698 121.223 0.084 0.000 2.342 323 L HA 0.881 5.221 4.340 -0.000 0.000 0.271 323 L C -0.843 176.046 176.870 0.031 0.000 1.008 323 L CA 0.244 55.123 54.840 0.066 0.000 0.818 323 L CB 2.261 44.361 42.059 0.068 0.000 1.296 323 L HN 0.972 nan 8.230 nan 0.000 0.427 324 T N 3.704 118.258 114.554 -0.000 0.000 2.881 324 T HA 0.819 5.169 4.350 -0.000 0.000 0.290 324 T C -1.050 173.613 174.700 -0.063 0.000 1.000 324 T CA -0.386 61.697 62.100 -0.027 0.000 0.978 324 T CB 1.586 70.427 68.868 -0.045 0.000 0.997 324 T HN 0.788 nan 8.240 nan 0.000 0.443 325 A N 3.339 126.124 122.820 -0.057 0.000 2.330 325 A HA 0.784 5.104 4.320 -0.000 0.000 0.313 325 A C -0.604 176.932 177.584 -0.081 0.000 1.124 325 A CA -0.692 51.285 52.037 -0.100 0.000 0.774 325 A CB 0.577 19.577 19.000 -0.001 0.000 1.198 325 A HN 0.854 nan 8.150 nan 0.000 0.465 326 L N 4.736 125.881 121.223 -0.130 0.000 2.417 326 L HA 0.330 4.670 4.340 -0.000 0.000 0.258 326 L C -2.248 174.575 176.870 -0.078 0.000 1.088 326 L CA -1.767 53.023 54.840 -0.084 0.000 0.975 326 L CB 1.069 43.084 42.059 -0.073 0.000 1.341 326 L HN 0.474 nan 8.230 nan 0.000 0.431 327 P HA 0.176 nan 4.420 nan 0.000 0.274 327 P C -0.480 176.794 177.300 -0.044 0.000 1.231 327 P CA -0.209 62.909 63.100 0.029 0.000 0.790 327 P CB 1.896 33.600 31.700 0.007 0.000 0.951 328 V N 3.658 123.536 119.914 -0.060 0.000 2.581 328 V HA 0.440 4.560 4.120 -0.000 0.000 0.303 328 V C 0.296 176.340 176.094 -0.085 0.000 1.041 328 V CA -0.571 61.686 62.300 -0.072 0.000 0.907 328 V CB 1.642 33.429 31.823 -0.061 0.000 0.994 328 V HN 0.408 nan 8.190 nan 0.000 0.442 329 I N 3.097 123.615 120.570 -0.087 0.000 2.499 329 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 329 I C -0.122 175.945 176.117 -0.083 0.000 1.048 329 I CA -0.366 60.886 61.300 -0.079 0.000 1.062 329 I CB 2.087 40.040 38.000 -0.078 0.000 1.238 329 I HN 0.741 nan 8.210 nan 0.000 0.426 330 E N 4.571 124.741 120.200 -0.051 0.000 2.200 330 E HA 0.382 4.731 4.350 -0.000 0.000 0.283 330 E C -0.401 176.180 176.600 -0.031 0.000 1.015 330 E CA -0.316 56.056 56.400 -0.048 0.000 0.819 330 E CB 1.208 30.897 29.700 -0.019 0.000 1.081 330 E HN 0.688 nan 8.360 nan 0.000 0.397 331 T N 1.657 116.182 114.554 -0.048 0.000 2.944 331 T HA 0.361 4.711 4.350 -0.000 0.000 0.284 331 T C -0.277 174.433 174.700 0.016 0.000 1.010 331 T CA -1.061 61.034 62.100 -0.008 0.000 1.025 331 T CB 1.498 70.356 68.868 -0.017 0.000 1.079 331 T HN 0.301 nan 8.240 nan 0.000 0.516 332 Q N 0.536 120.363 119.800 0.044 0.000 2.357 332 Q HA 0.466 4.806 4.340 -0.000 0.000 0.266 332 Q C 0.763 176.799 176.000 0.059 0.000 1.021 332 Q CA -0.279 55.553 55.803 0.048 0.000 0.784 332 Q CB 1.204 29.975 28.738 0.054 0.000 1.243 332 Q HN 1.338 nan 8.270 nan 0.000 0.465 333 G N 1.736 110.570 108.800 0.058 0.000 2.305 333 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.287 333 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.287 333 G C 0.778 175.734 174.900 0.092 0.000 1.036 333 G CA 0.818 45.959 45.100 0.068 0.000 0.887 333 G HN 1.285 nan 8.290 nan 0.000 0.505 334 G N -0.628 108.243 108.800 0.118 0.000 2.283 334 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.280 334 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.280 334 G C 0.236 175.248 174.900 0.187 0.000 1.029 334 G CA 0.960 46.185 45.100 0.209 0.000 0.840 334 G HN 1.323 nan 8.290 nan 0.000 0.505 335 D N 0.403 120.882 120.400 0.132 0.000 2.563 335 D HA 0.353 4.993 4.640 -0.000 0.000 0.222 335 D C 1.963 178.337 176.300 0.123 0.000 1.145 335 D CA 0.153 54.220 54.000 0.112 0.000 1.001 335 D CB 0.211 41.064 40.800 0.088 0.000 1.049 335 D HN 0.519 nan 8.370 nan 0.000 0.515 336 V N 0.667 120.675 119.914 0.157 0.000 2.982 336 V HA -0.127 3.993 4.120 -0.000 0.000 0.265 336 V C 1.902 178.064 176.094 0.113 0.000 1.122 336 V CA 1.425 63.818 62.300 0.154 0.000 1.143 336 V CB -0.572 31.369 31.823 0.196 0.000 0.726 336 V HN 0.331 nan 8.190 nan 0.000 0.507 337 S N 0.054 115.814 115.700 0.100 0.000 2.562 337 S HA 0.428 4.897 4.470 -0.000 0.000 0.221 337 S C 1.256 175.924 174.600 0.114 0.000 0.975 337 S CA 0.329 58.585 58.200 0.093 0.000 0.918 337 S CB -0.588 62.657 63.200 0.074 0.000 0.772 337 S HN 0.999 nan 8.310 nan 0.000 0.531 338 A N 0.465 123.356 122.820 0.118 0.000 2.466 338 A HA 0.304 4.624 4.320 -0.000 0.000 0.238 338 A C 0.812 178.510 177.584 0.190 0.000 1.074 338 A CA -0.200 51.925 52.037 0.146 0.000 0.774 338 A CB -0.244 18.833 19.000 0.128 0.000 1.015 338 A HN 0.469 nan 8.150 nan 0.000 0.498 339 Y N 1.653 121.983 120.300 0.050 0.000 2.014 339 Y HA -0.272 4.278 4.550 -0.000 0.000 0.272 339 Y C 2.034 177.911 175.900 -0.039 0.000 1.164 339 Y CA 2.459 60.565 58.100 0.010 0.000 1.114 339 Y CB -0.266 38.209 38.460 0.024 0.000 0.961 339 Y HN 0.546 nan 8.280 nan 0.000 0.489 340 I N 0.164 120.612 120.570 -0.204 0.000 2.179 340 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 340 I C -0.407 175.657 176.117 -0.088 0.000 1.088 340 I CA 1.375 62.511 61.300 -0.274 0.000 1.357 340 I CB -2.792 35.069 38.000 -0.233 0.000 1.051 340 I HN 0.180 nan 8.210 nan 0.000 0.409 341 P HA -0.116 nan 4.420 nan 0.000 0.215 341 P C 1.890 179.213 177.300 0.037 0.000 1.153 341 P CA 1.715 64.827 63.100 0.020 0.000 0.853 341 P CB -0.106 31.624 31.700 0.050 0.000 0.788 342 T N -0.738 113.845 114.554 0.049 0.000 2.684 342 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 342 T C 1.645 176.387 174.700 0.070 0.000 1.036 342 T CA 1.523 63.665 62.100 0.071 0.000 1.148 342 T CB -0.953 67.981 68.868 0.110 0.000 0.863 342 T HN 0.097 nan 8.240 nan 0.000 0.436 343 N N 0.872 119.585 118.700 0.021 0.000 2.036 343 N HA -0.095 4.645 4.740 -0.000 0.000 0.195 343 N C 1.957 177.561 175.510 0.157 0.000 1.037 343 N CA 1.062 54.204 53.050 0.154 0.000 0.855 343 N CB -0.898 37.611 38.487 0.036 0.000 1.033 343 N HN 0.221 nan 8.380 nan 0.000 0.423 344 V N 1.370 121.321 119.914 0.061 0.000 2.358 344 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 344 V C 2.233 178.346 176.094 0.032 0.000 1.047 344 V CA 1.089 63.398 62.300 0.015 0.000 1.035 344 V CB -0.444 31.355 31.823 -0.040 0.000 0.658 344 V HN 0.229 nan 8.190 nan 0.000 0.452 345 I N 1.323 121.924 120.570 0.051 0.000 2.454 345 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 345 I C 2.540 178.703 176.117 0.077 0.000 1.156 345 I CA 1.795 63.133 61.300 0.063 0.000 1.433 345 I CB -0.321 37.727 38.000 0.080 0.000 1.082 345 I HN 0.492 nan 8.210 nan 0.000 0.432 346 S N 0.324 116.088 115.700 0.106 0.000 2.446 346 S HA 0.057 4.527 4.470 -0.000 0.000 0.225 346 S C 1.859 176.543 174.600 0.141 0.000 1.016 346 S CA 0.268 58.545 58.200 0.129 0.000 0.943 346 S CB -0.422 62.874 63.200 0.160 0.000 0.786 346 S HN 0.388 nan 8.310 nan 0.000 0.508 347 I N 2.614 123.257 120.570 0.122 0.000 2.406 347 I HA -0.032 4.138 4.170 -0.000 0.000 0.249 347 I C 2.010 178.144 176.117 0.029 0.000 1.122 347 I CA 1.025 62.359 61.300 0.057 0.000 1.431 347 I CB -0.723 37.245 38.000 -0.053 0.000 1.087 347 I HN 0.462 nan 8.210 nan 0.000 0.424 348 T N -2.113 112.454 114.554 0.022 0.000 2.801 348 T HA 0.086 4.436 4.350 -0.000 0.000 0.324 348 T C 0.480 175.196 174.700 0.027 0.000 1.088 348 T CA -0.279 61.829 62.100 0.014 0.000 0.975 348 T CB 0.535 69.406 68.868 0.006 0.000 1.316 348 T HN 0.028 nan 8.240 nan 0.000 0.533 349 D N -0.023 120.390 120.400 0.021 0.000 2.501 349 D HA 0.429 5.069 4.640 -0.000 0.000 0.226 349 D C 0.679 176.994 176.300 0.025 0.000 1.198 349 D CA 0.199 54.213 54.000 0.024 0.000 0.830 349 D CB 0.246 41.057 40.800 0.018 0.000 1.014 349 D HN 0.997 nan 8.370 nan 0.000 0.496 350 G N 0.635 109.453 108.800 0.031 0.000 2.333 350 G HA2 0.164 4.124 3.960 -0.000 0.000 0.330 350 G HA3 0.164 4.124 3.960 -0.000 0.000 0.330 350 G C -1.730 173.196 174.900 0.043 0.000 1.465 350 G CA -1.010 44.113 45.100 0.038 0.000 0.996 350 G HN -0.052 nan 8.290 nan 0.000 0.655 351 Q N -0.660 119.179 119.800 0.064 0.000 2.365 351 Q HA 0.772 5.112 4.340 -0.000 0.000 0.269 351 Q C -0.263 175.791 176.000 0.090 0.000 1.061 351 Q CA -0.557 55.295 55.803 0.082 0.000 0.816 351 Q CB 2.518 31.348 28.738 0.154 0.000 1.325 351 Q HN 0.623 nan 8.270 nan 0.000 0.446 352 I N 2.153 122.764 120.570 0.067 0.000 2.312 352 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 352 I C -1.035 175.138 176.117 0.093 0.000 1.008 352 I CA -0.581 60.766 61.300 0.078 0.000 1.226 352 I CB 0.584 38.605 38.000 0.036 0.000 1.371 352 I HN 0.471 nan 8.210 nan 0.000 0.468 353 F N 7.989 127.945 119.950 0.010 0.000 2.426 353 F HA 0.597 5.125 4.527 0.000 0.000 0.348 353 F C -1.008 174.799 175.800 0.012 0.000 1.124 353 F CA -0.672 57.334 58.000 0.010 0.000 1.008 353 F CB 0.944 39.950 39.000 0.010 0.000 1.139 353 F HN 0.149 nan 8.300 nan 0.000 0.452 354 L N 5.096 126.324 121.223 0.009 0.000 2.334 354 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 354 L C -0.727 176.212 176.870 0.113 0.000 1.013 354 L CA -0.450 54.435 54.840 0.076 0.000 0.816 354 L CB 1.921 43.974 42.059 -0.009 0.000 1.278 354 L HN 0.510 nan 8.230 nan 0.000 0.431 355 E N 0.647 120.925 120.200 0.130 0.000 2.256 355 E HA 0.462 4.812 4.350 -0.000 0.000 0.268 355 E C 0.111 176.713 176.600 0.004 0.000 0.877 355 E CA -0.555 55.913 56.400 0.113 0.000 0.757 355 E CB 2.092 31.884 29.700 0.153 0.000 1.183 355 E HN 0.689 nan 8.360 nan 0.000 0.418 356 A N 3.111 125.887 122.820 -0.072 0.000 1.915 356 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 356 A C 1.793 179.138 177.584 -0.398 0.000 1.198 356 A CA 1.845 53.700 52.037 -0.303 0.000 0.647 356 A CB -0.336 18.607 19.000 -0.094 0.000 0.825 356 A HN 0.737 nan 8.150 nan 0.000 0.456 357 E N -0.542 119.635 120.200 -0.039 0.000 2.051 357 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 357 E C 2.079 178.716 176.600 0.062 0.000 0.991 357 E CA 1.280 57.739 56.400 0.099 0.000 0.799 357 E CB -0.288 29.484 29.700 0.120 0.000 0.748 357 E HN 0.684 nan 8.360 nan 0.000 0.449 358 L N 0.035 121.282 121.223 0.041 0.000 2.046 358 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 358 L C 2.450 179.337 176.870 0.028 0.000 1.077 358 L CA 0.960 55.828 54.840 0.047 0.000 0.747 358 L CB -0.505 41.587 42.059 0.055 0.000 0.896 358 L HN 0.115 nan 8.230 nan 0.000 0.432 359 F N 0.391 120.229 119.950 -0.186 0.000 2.043 359 F HA -0.325 4.202 4.527 -0.000 0.000 0.297 359 F C 2.485 178.191 175.800 -0.158 0.000 1.121 359 F CA 1.802 59.660 58.000 -0.236 0.000 1.199 359 F CB -0.506 38.243 39.000 -0.417 0.000 0.968 359 F HN -0.046 nan 8.300 nan 0.000 0.478 360 Y N 0.392 120.906 120.300 0.357 0.000 2.207 360 Y HA -0.191 4.359 4.550 -0.000 0.000 0.287 360 Y C 2.338 178.294 175.900 0.094 0.000 1.156 360 Y CA 1.325 59.560 58.100 0.225 0.000 1.182 360 Y CB -1.313 37.250 38.460 0.171 0.000 0.979 360 Y HN 0.049 nan 8.280 nan 0.000 0.521 361 K N -0.750 119.764 120.400 0.191 0.000 2.218 361 K HA -0.101 4.218 4.320 -0.000 0.000 0.205 361 K C 1.632 178.256 176.600 0.041 0.000 1.046 361 K CA 1.200 57.548 56.287 0.103 0.000 0.933 361 K CB -0.494 32.054 32.500 0.080 0.000 0.728 361 K HN 0.582 nan 8.250 nan 0.000 0.454 362 G N 0.696 109.482 108.800 -0.025 0.000 2.192 362 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.193 362 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.193 362 G C 0.159 174.977 174.900 -0.137 0.000 0.999 362 G CA -0.380 44.660 45.100 -0.100 0.000 0.659 362 G HN 0.184 nan 8.290 nan 0.000 0.503 363 I N 2.283 122.792 120.570 -0.100 0.000 2.278 363 I HA 0.307 4.477 4.170 -0.000 0.000 0.300 363 I C 0.693 176.728 176.117 -0.136 0.000 1.174 363 I CA 0.095 61.351 61.300 -0.073 0.000 1.347 363 I CB -0.003 37.994 38.000 -0.006 0.000 1.473 363 I HN 0.059 nan 8.210 nan 0.000 0.595 364 R N 6.106 126.495 120.500 -0.185 0.000 2.494 364 R HA 0.463 4.803 4.340 -0.000 0.000 0.305 364 R C -2.594 173.643 176.300 -0.104 0.000 0.959 364 R CA -1.932 54.042 56.100 -0.210 0.000 0.864 364 R CB 1.005 31.066 30.300 -0.397 0.000 1.159 364 R HN 0.120 nan 8.270 nan 0.000 0.446 365 P HA -0.093 nan 4.420 nan 0.000 0.261 365 P C -0.384 176.920 177.300 0.007 0.000 1.173 365 P CA 0.327 63.418 63.100 -0.015 0.000 0.760 365 P CB 0.640 32.341 31.700 0.002 0.000 0.783 366 A N 5.047 127.900 122.820 0.055 0.000 2.958 366 A HA 0.122 4.442 4.320 -0.000 0.000 0.247 366 A C 0.546 178.183 177.584 0.088 0.000 1.679 366 A CA -0.193 51.890 52.037 0.077 0.000 1.345 366 A CB -1.386 17.710 19.000 0.160 0.000 1.013 366 A HN 0.500 nan 8.150 nan 0.000 0.641 367 I N 1.346 121.959 120.570 0.072 0.000 2.452 367 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 367 I C 0.543 176.717 176.117 0.096 0.000 1.079 367 I CA -0.298 61.056 61.300 0.090 0.000 1.387 367 I CB 0.555 38.596 38.000 0.068 0.000 1.404 367 I HN 0.397 nan 8.210 nan 0.000 0.522 368 N N 7.132 125.909 118.700 0.129 0.000 2.469 368 N HA 0.094 4.834 4.740 -0.000 0.000 0.239 368 N C 0.652 176.196 175.510 0.057 0.000 1.053 368 N CA -0.148 52.950 53.050 0.080 0.000 0.937 368 N CB 1.342 39.864 38.487 0.058 0.000 1.163 368 N HN 0.409 nan 8.380 nan 0.000 0.509 369 V N 3.515 123.458 119.914 0.048 0.000 2.343 369 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 369 V C 2.349 178.455 176.094 0.020 0.000 1.051 369 V CA 2.192 64.519 62.300 0.044 0.000 1.036 369 V CB -1.010 30.845 31.823 0.053 0.000 0.654 369 V HN 0.730 nan 8.190 nan 0.000 0.451 370 G N -0.992 107.807 108.800 -0.003 0.000 2.586 370 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.215 370 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.215 370 G C 1.319 176.187 174.900 -0.052 0.000 1.128 370 G CA 0.487 45.571 45.100 -0.027 0.000 0.774 370 G HN 0.494 nan 8.290 nan 0.000 0.543 371 L N -0.116 121.069 121.223 -0.062 0.000 2.817 371 L HA 0.237 4.577 4.340 -0.000 0.000 0.248 371 L C 0.455 177.324 176.870 -0.001 0.000 1.133 371 L CA 0.010 54.784 54.840 -0.111 0.000 0.935 371 L CB 0.531 42.382 42.059 -0.346 0.000 1.266 371 L HN 0.026 nan 8.230 nan 0.000 0.535 372 S N 0.436 116.165 115.700 0.048 0.000 2.616 372 S HA 0.645 5.115 4.470 -0.000 0.000 0.277 372 S C -0.235 174.398 174.600 0.055 0.000 1.234 372 S CA -0.460 57.792 58.200 0.088 0.000 1.028 372 S CB 2.193 65.451 63.200 0.097 0.000 0.988 372 S HN 0.016 nan 8.310 nan 0.000 0.522 373 V N -0.008 119.940 119.914 0.057 0.000 3.087 373 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 373 V C -0.552 175.564 176.094 0.036 0.000 1.187 373 V CA -0.916 61.409 62.300 0.041 0.000 0.999 373 V CB 1.791 33.635 31.823 0.036 0.000 1.049 373 V HN 0.729 nan 8.190 nan 0.000 0.431 374 S N 1.233 116.949 115.700 0.028 0.000 2.566 374 S HA 0.478 4.948 4.470 -0.000 0.000 0.324 374 S C 0.708 175.320 174.600 0.020 0.000 1.081 374 S CA -0.702 57.511 58.200 0.021 0.000 1.105 374 S CB 1.223 64.431 63.200 0.015 0.000 0.981 374 S HN 0.752 nan 8.310 nan 0.000 0.464 375 R N 2.946 123.458 120.500 0.021 0.000 2.189 375 R HA -0.001 4.339 4.340 -0.000 0.000 0.218 375 R C 1.596 177.907 176.300 0.018 0.000 1.074 375 R CA 1.061 57.173 56.100 0.021 0.000 0.991 375 R CB -0.223 30.092 30.300 0.024 0.000 0.883 375 R HN 0.551 nan 8.270 nan 0.000 0.457 376 V N -0.133 119.790 119.914 0.015 0.000 2.302 376 V HA 0.020 4.140 4.120 -0.000 0.000 0.243 376 V C 1.708 177.809 176.094 0.012 0.000 1.036 376 V CA 1.641 63.949 62.300 0.013 0.000 1.020 376 V CB -0.796 31.032 31.823 0.008 0.000 0.657 376 V HN 0.677 nan 8.190 nan 0.000 0.453 377 G N -0.006 108.800 108.800 0.010 0.000 2.536 377 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.280 377 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.280 377 G C 1.090 175.995 174.900 0.008 0.000 1.152 377 G CA 0.507 45.614 45.100 0.011 0.000 0.970 377 G HN 0.334 nan 8.290 nan 0.000 0.549 378 S N 0.891 116.598 115.700 0.012 0.000 2.440 378 S HA 0.080 4.550 4.470 -0.000 0.000 0.238 378 S C 2.559 177.165 174.600 0.009 0.000 1.010 378 S CA 1.866 60.073 58.200 0.012 0.000 0.972 378 S CB -0.490 62.719 63.200 0.016 0.000 0.774 378 S HN 1.632 nan 8.310 nan 0.000 0.501 379 A N 0.069 122.896 122.820 0.012 0.000 2.206 379 A HA 0.442 4.761 4.320 -0.000 0.000 0.211 379 A C 1.685 179.274 177.584 0.009 0.000 1.158 379 A CA 0.986 53.035 52.037 0.020 0.000 0.761 379 A CB -0.271 18.747 19.000 0.030 0.000 0.801 379 A HN 0.452 nan 8.150 nan 0.000 0.473 380 A N -1.185 121.629 122.820 -0.010 0.000 2.465 380 A HA 0.408 4.728 4.320 -0.000 0.000 0.255 380 A C 0.510 178.063 177.584 -0.052 0.000 1.274 380 A CA -0.060 51.953 52.037 -0.040 0.000 0.920 380 A CB -0.066 18.913 19.000 -0.036 0.000 1.033 380 A HN 0.498 nan 8.150 nan 0.000 0.516 381 Q N 0.412 120.193 119.800 -0.032 0.000 2.337 381 Q HA 0.516 4.856 4.340 -0.000 0.000 0.270 381 Q C -1.120 174.866 176.000 -0.024 0.000 1.043 381 Q CA -0.616 55.172 55.803 -0.025 0.000 0.794 381 Q CB 2.164 30.899 28.738 -0.005 0.000 1.281 381 Q HN 0.104 nan 8.270 nan 0.000 0.446 382 V N 5.089 124.987 119.914 -0.027 0.000 2.625 382 V HA -0.167 3.953 4.120 -0.000 0.000 0.305 382 V C 1.626 177.721 176.094 0.001 0.000 1.055 382 V CA 0.861 63.151 62.300 -0.017 0.000 1.209 382 V CB 0.442 32.263 31.823 -0.003 0.000 0.877 382 V HN 0.909 nan 8.190 nan 0.000 0.489 383 K N 3.961 124.363 120.400 0.003 0.000 2.113 383 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 383 K C 2.121 178.733 176.600 0.020 0.000 1.047 383 K CA 1.684 57.978 56.287 0.012 0.000 0.928 383 K CB -0.168 32.338 32.500 0.011 0.000 0.716 383 K HN 0.873 nan 8.250 nan 0.000 0.446 384 A N 0.998 123.830 122.820 0.020 0.000 1.948 384 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 384 A C 1.997 179.606 177.584 0.041 0.000 1.177 384 A CA 1.323 53.377 52.037 0.028 0.000 0.636 384 A CB -0.420 18.594 19.000 0.023 0.000 0.815 384 A HN 0.300 nan 8.150 nan 0.000 0.449 385 L N -0.433 120.812 121.223 0.037 0.000 2.131 385 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 385 L C 2.286 179.182 176.870 0.044 0.000 1.087 385 L CA 2.137 57.004 54.840 0.045 0.000 0.767 385 L CB -0.509 41.573 42.059 0.037 0.000 0.917 385 L HN 0.461 nan 8.230 nan 0.000 0.441 386 K N -0.900 119.520 120.400 0.033 0.000 2.152 386 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 386 K C 1.935 178.558 176.600 0.040 0.000 1.048 386 K CA 1.684 57.990 56.287 0.032 0.000 0.933 386 K CB 0.020 32.535 32.500 0.024 0.000 0.721 386 K HN 0.502 nan 8.250 nan 0.000 0.447 387 Q N 0.010 119.838 119.800 0.046 0.000 2.016 387 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 387 Q C 2.203 178.247 176.000 0.074 0.000 0.978 387 Q CA 1.855 57.691 55.803 0.056 0.000 0.833 387 Q CB -0.054 28.718 28.738 0.056 0.000 0.895 387 Q HN 0.370 nan 8.270 nan 0.000 0.427 388 V N -2.720 117.250 119.914 0.094 0.000 2.871 388 V HA 0.166 4.286 4.120 -0.000 0.000 0.256 388 V C 1.564 177.699 176.094 0.068 0.000 1.082 388 V CA 1.366 63.736 62.300 0.117 0.000 1.105 388 V CB -0.301 31.634 31.823 0.188 0.000 0.713 388 V HN 0.222 nan 8.190 nan 0.000 0.473 389 A N 0.367 123.222 122.820 0.058 0.000 2.465 389 A HA 0.605 4.925 4.320 -0.000 0.000 0.255 389 A C 1.928 179.537 177.584 0.042 0.000 1.274 389 A CA 0.541 52.606 52.037 0.046 0.000 0.920 389 A CB -0.383 18.646 19.000 0.048 0.000 1.033 389 A HN 0.548 nan 8.150 nan 0.000 0.516 390 G N 0.864 109.688 108.800 0.040 0.000 2.402 390 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 390 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 390 G C 1.923 176.847 174.900 0.040 0.000 1.162 390 G CA 1.612 46.735 45.100 0.037 0.000 0.777 390 G HN 0.774 nan 8.290 nan 0.000 0.539 391 S N 0.636 116.359 115.700 0.037 0.000 2.368 391 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 391 S C 2.304 176.946 174.600 0.070 0.000 1.029 391 S CA 1.233 59.460 58.200 0.046 0.000 0.988 391 S CB -0.520 62.692 63.200 0.020 0.000 0.838 391 S HN 0.176 nan 8.310 nan 0.000 0.462 392 L N 2.365 123.620 121.223 0.053 0.000 2.034 392 L HA -0.178 4.162 4.340 -0.000 0.000 0.217 392 L C 2.514 179.440 176.870 0.093 0.000 1.077 392 L CA 2.293 57.174 54.840 0.070 0.000 0.769 392 L CB -1.037 41.049 42.059 0.046 0.000 0.890 392 L HN 0.453 nan 8.230 nan 0.000 0.435 393 K N -0.860 119.582 120.400 0.070 0.000 2.077 393 K HA -0.262 4.058 4.320 -0.000 0.000 0.213 393 K C 2.197 178.839 176.600 0.070 0.000 1.051 393 K CA 2.351 58.675 56.287 0.062 0.000 0.929 393 K CB -0.392 32.136 32.500 0.046 0.000 0.715 393 K HN 0.437 nan 8.250 nan 0.000 0.451 394 L N -0.287 120.985 121.223 0.081 0.000 1.976 394 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 394 L C 2.425 179.351 176.870 0.094 0.000 1.071 394 L CA 1.521 56.408 54.840 0.079 0.000 0.746 394 L CB -0.404 41.710 42.059 0.092 0.000 0.890 394 L HN 0.223 nan 8.230 nan 0.000 0.432 395 F N 0.123 120.082 119.950 0.015 0.000 2.075 395 F HA -0.242 4.285 4.527 0.000 0.000 0.297 395 F C 2.273 178.114 175.800 0.068 0.000 1.113 395 F CA 1.565 59.579 58.000 0.023 0.000 1.218 395 F CB -0.226 38.766 39.000 -0.014 0.000 0.984 395 F HN -0.094 nan 8.300 nan 0.000 0.472 396 L N -0.329 121.022 121.223 0.213 0.000 2.129 396 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 396 L C 2.665 179.590 176.870 0.091 0.000 1.087 396 L CA 1.047 56.002 54.840 0.191 0.000 0.757 396 L CB -1.207 40.955 42.059 0.171 0.000 0.896 396 L HN 0.248 nan 8.230 nan 0.000 0.434 397 A N -0.307 122.528 122.820 0.025 0.000 1.877 397 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 397 A C 2.251 179.787 177.584 -0.079 0.000 1.186 397 A CA 1.602 53.627 52.037 -0.020 0.000 0.620 397 A CB -0.419 18.573 19.000 -0.012 0.000 0.822 397 A HN 0.477 nan 8.150 nan 0.000 0.443 398 Q N -2.072 117.626 119.800 -0.170 0.000 2.079 398 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 398 Q C 2.041 177.891 176.000 -0.249 0.000 0.974 398 Q CA 1.533 57.180 55.803 -0.261 0.000 0.840 398 Q CB -0.388 28.085 28.738 -0.441 0.000 0.898 398 Q HN 0.773 nan 8.270 nan 0.000 0.430 399 Y N 1.895 121.919 120.300 -0.459 0.000 2.040 399 Y HA -0.309 4.241 4.550 0.000 0.000 0.275 399 Y C 2.115 177.949 175.900 -0.110 0.000 1.171 399 Y CA 1.888 59.837 58.100 -0.251 0.000 1.123 399 Y CB -0.229 38.170 38.460 -0.101 0.000 0.963 399 Y HN -0.093 nan 8.280 nan 0.000 0.493 400 R N 0.207 120.601 120.500 -0.178 0.000 2.127 400 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 400 R C 2.175 178.362 176.300 -0.189 0.000 1.134 400 R CA 1.898 57.853 56.100 -0.241 0.000 0.975 400 R CB -0.223 30.006 30.300 -0.120 0.000 0.865 400 R HN 0.567 nan 8.270 nan 0.000 0.447 401 E N -0.423 119.701 120.200 -0.126 0.000 2.047 401 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 401 E C 1.530 178.097 176.600 -0.055 0.000 0.987 401 E CA 1.389 57.740 56.400 -0.083 0.000 0.799 401 E CB 0.047 29.717 29.700 -0.050 0.000 0.752 401 E HN 0.099 nan 8.360 nan 0.000 0.449 402 V N 1.208 121.115 119.914 -0.012 0.000 3.573 402 V HA 0.031 4.151 4.120 -0.000 0.000 0.270 402 V C 1.982 178.120 176.094 0.074 0.000 1.221 402 V CA 0.774 63.175 62.300 0.169 0.000 1.163 402 V CB -0.580 31.337 31.823 0.156 0.000 0.847 402 V HN 0.268 nan 8.190 nan 0.000 0.468 403 A N 1.384 124.101 122.820 -0.171 0.000 1.884 403 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 403 A C 2.339 179.811 177.584 -0.187 0.000 1.197 403 A CA 2.242 54.092 52.037 -0.311 0.000 0.637 403 A CB -0.795 17.955 19.000 -0.417 0.000 0.827 403 A HN 0.677 nan 8.150 nan 0.000 0.450 404 A N -2.070 120.600 122.820 -0.250 0.000 2.259 404 A HA 0.144 4.464 4.320 -0.000 0.000 0.212 404 A C 1.561 178.980 177.584 -0.275 0.000 1.178 404 A CA 0.799 52.670 52.037 -0.275 0.000 0.734 404 A CB -0.853 17.939 19.000 -0.347 0.000 0.774 404 A HN 0.530 nan 8.150 nan 0.000 0.481 405 F N -0.913 119.010 119.950 -0.045 0.000 2.789 405 F HA 0.136 4.663 4.527 -0.001 0.000 0.300 405 F C 2.388 178.187 175.800 -0.001 0.000 1.132 405 F CA 0.293 58.282 58.000 -0.019 0.000 1.404 405 F CB 0.113 39.105 39.000 -0.014 0.000 1.114 405 F HN 0.289 nan 8.300 nan 0.000 0.584 406 A N -0.331 122.573 122.820 0.140 0.000 2.032 406 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 406 A C 1.437 179.073 177.584 0.086 0.000 1.165 406 A CA 1.075 53.178 52.037 0.111 0.000 0.645 406 A CB -0.578 18.471 19.000 0.082 0.000 0.807 406 A HN 0.286 nan 8.150 nan 0.000 0.453 411 D N 2.758 123.165 120.400 0.012 0.000 2.441 411 D HA 0.529 5.169 4.640 -0.000 0.000 0.243 411 D C -0.490 175.788 176.300 -0.036 0.000 1.257 411 D CA 0.533 54.528 54.000 -0.008 0.000 1.027 411 D CB -0.284 40.514 40.800 -0.003 0.000 1.084 411 D HN 0.463 nan 8.370 nan 0.000 0.514 412 L N 0.644 121.837 121.223 -0.050 0.000 2.333 412 L HA 0.470 4.810 4.340 -0.000 0.000 0.263 412 L C 0.464 177.281 176.870 -0.089 0.000 1.014 412 L CA -1.417 53.361 54.840 -0.103 0.000 0.820 412 L CB 1.493 43.495 42.059 -0.096 0.000 1.352 412 L HN -0.082 nan 8.230 nan 0.000 0.421 413 D N 0.336 120.664 120.400 -0.120 0.000 2.364 413 D HA 0.145 4.785 4.640 -0.000 0.000 0.236 413 D C 0.776 177.043 176.300 -0.055 0.000 1.221 413 D CA 0.655 54.603 54.000 -0.085 0.000 0.891 413 D CB 1.097 41.836 40.800 -0.101 0.000 1.190 413 D HN 0.666 nan 8.370 nan 0.000 0.449 414 A N 0.891 123.689 122.820 -0.038 0.000 2.066 414 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 414 A C 2.063 179.639 177.584 -0.014 0.000 1.157 414 A CA 1.413 53.436 52.037 -0.023 0.000 0.670 414 A CB -0.332 18.656 19.000 -0.020 0.000 0.804 414 A HN 0.414 nan 8.150 nan 0.000 0.453 415 S N 0.025 115.712 115.700 -0.022 0.000 2.345 415 S HA -0.137 4.333 4.470 -0.000 0.000 0.219 415 S C 2.169 176.770 174.600 0.001 0.000 1.031 415 S CA 2.230 60.425 58.200 -0.009 0.000 0.984 415 S CB -0.629 62.557 63.200 -0.023 0.000 0.874 415 S HN 0.752 nan 8.310 nan 0.000 0.451 416 T N -1.311 113.217 114.554 -0.042 0.000 3.085 416 T HA 0.206 4.556 4.350 -0.000 0.000 0.263 416 T C 1.672 176.379 174.700 0.012 0.000 1.127 416 T CA 0.724 62.796 62.100 -0.047 0.000 1.103 416 T CB -0.128 68.627 68.868 -0.188 0.000 0.921 416 T HN 0.352 nan 8.240 nan 0.000 0.510 417 K N 0.316 120.724 120.400 0.013 0.000 2.211 417 K HA 0.044 4.364 4.320 -0.000 0.000 0.201 417 K C 2.492 179.131 176.600 0.065 0.000 1.052 417 K CA 0.501 56.812 56.287 0.039 0.000 0.973 417 K CB 0.010 32.517 32.500 0.012 0.000 0.766 417 K HN 0.247 nan 8.250 nan 0.000 0.466 418 Q N 0.672 120.508 119.800 0.060 0.000 2.050 418 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 418 Q C 1.599 177.712 176.000 0.189 0.000 0.980 418 Q CA 2.378 58.222 55.803 0.068 0.000 0.840 418 Q CB -0.667 28.097 28.738 0.044 0.000 0.898 418 Q HN 0.155 nan 8.270 nan 0.000 0.424 419 T N 1.157 115.890 114.554 0.298 0.000 2.624 419 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 419 T C 1.732 176.704 174.700 0.452 0.000 1.041 419 T CA 1.696 64.118 62.100 0.536 0.000 1.159 419 T CB -0.452 68.490 68.868 0.124 0.000 0.863 419 T HN 0.250 nan 8.240 nan 0.000 0.434 420 L N 0.389 121.779 121.223 0.279 0.000 2.012 420 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 420 L C 2.678 179.626 176.870 0.129 0.000 1.073 420 L CA 1.068 56.076 54.840 0.280 0.000 0.748 420 L CB -0.544 41.647 42.059 0.221 0.000 0.891 420 L HN 0.145 nan 8.230 nan 0.000 0.431 421 V N -0.379 119.577 119.914 0.070 0.000 2.295 421 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 421 V C 2.656 178.689 176.094 -0.102 0.000 1.049 421 V CA 2.043 64.331 62.300 -0.020 0.000 1.024 421 V CB -0.567 31.236 31.823 -0.034 0.000 0.648 421 V HN 0.418 nan 8.190 nan 0.000 0.447 422 R N 0.858 121.281 120.500 -0.129 0.000 2.070 422 R HA -0.069 4.271 4.340 -0.000 0.000 0.233 422 R C 2.280 178.408 176.300 -0.286 0.000 1.137 422 R CA 2.014 57.920 56.100 -0.323 0.000 0.945 422 R CB -1.401 28.456 30.300 -0.738 0.000 0.845 422 R HN 0.438 nan 8.270 nan 0.000 0.430 423 G N 0.416 109.151 108.800 -0.108 0.000 2.514 423 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 423 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 423 G C 1.238 175.692 174.900 -0.743 0.000 1.198 423 G CA 1.077 45.850 45.100 -0.544 0.000 0.780 423 G HN 0.512 nan 8.290 nan 0.000 0.565 424 E N -0.012 119.796 120.200 -0.654 0.000 2.136 424 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 424 E C 2.745 179.241 176.600 -0.173 0.000 1.019 424 E CA 1.299 57.541 56.400 -0.263 0.000 0.819 424 E CB -0.111 29.542 29.700 -0.078 0.000 0.739 424 E HN 0.367 nan 8.360 nan 0.000 0.458 425 R N 0.034 120.421 120.500 -0.188 0.000 2.062 425 R HA -0.021 4.319 4.340 -0.000 0.000 0.226 425 R C 2.481 178.703 176.300 -0.130 0.000 1.125 425 R CA 0.725 56.733 56.100 -0.152 0.000 0.966 425 R CB -0.177 30.014 30.300 -0.182 0.000 0.861 425 R HN 0.114 nan 8.270 nan 0.000 0.433 426 L N -0.071 121.062 121.223 -0.150 0.000 2.042 426 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 426 L C 2.243 179.085 176.870 -0.047 0.000 1.076 426 L CA 1.479 56.264 54.840 -0.091 0.000 0.749 426 L CB -0.722 41.287 42.059 -0.083 0.000 0.893 426 L HN 0.247 nan 8.230 nan 0.000 0.432 427 T N -1.243 113.274 114.554 -0.061 0.000 2.737 427 T HA -0.300 4.050 4.350 -0.000 0.000 0.269 427 T C 1.843 176.544 174.700 0.001 0.000 1.040 427 T CA 1.743 63.843 62.100 -0.000 0.000 1.142 427 T CB -0.163 68.729 68.868 0.040 0.000 0.861 427 T HN 0.255 nan 8.240 nan 0.000 0.456 428 Q N 0.560 120.347 119.800 -0.020 0.000 2.096 428 Q HA 0.141 4.481 4.340 -0.000 0.000 0.197 428 Q C 2.158 178.161 176.000 0.005 0.000 0.964 428 Q CA 1.049 56.847 55.803 -0.008 0.000 0.838 428 Q CB -0.648 28.078 28.738 -0.020 0.000 0.906 428 Q HN 0.456 nan 8.270 nan 0.000 0.444 429 L N -0.077 121.146 121.223 0.001 0.000 2.051 429 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 429 L C 1.847 178.739 176.870 0.038 0.000 1.076 429 L CA 1.277 56.136 54.840 0.032 0.000 0.758 429 L CB -0.243 41.830 42.059 0.022 0.000 0.890 429 L HN 0.368 nan 8.230 nan 0.000 0.433 430 L N -1.011 120.226 121.223 0.024 0.000 2.554 430 L HA -0.031 4.309 4.340 -0.000 0.000 0.226 430 L C 1.024 177.903 176.870 0.015 0.000 1.137 430 L CA 0.058 54.913 54.840 0.026 0.000 0.863 430 L CB -0.288 41.788 42.059 0.028 0.000 0.985 430 L HN 0.152 nan 8.230 nan 0.000 0.451 431 K N 0.923 121.328 120.400 0.008 0.000 2.276 431 K HA 0.228 4.548 4.320 -0.000 0.000 0.259 431 K C -0.154 176.443 176.600 -0.005 0.000 1.001 431 K CA 0.253 56.533 56.287 -0.011 0.000 0.927 431 K CB 0.699 33.189 32.500 -0.017 0.000 0.969 431 K HN -0.023 nan 8.250 nan 0.000 0.490 432 Q N 0.811 120.596 119.800 -0.024 0.000 2.527 432 Q HA 0.193 4.533 4.340 -0.000 0.000 0.280 432 Q C -1.534 174.443 176.000 -0.038 0.000 0.977 432 Q CA -0.780 55.013 55.803 -0.017 0.000 0.837 432 Q CB 1.584 30.315 28.738 -0.013 0.000 1.454 432 Q HN 0.502 nan 8.270 nan 0.000 0.387 433 N N 1.677 120.364 118.700 -0.021 0.000 2.493 433 N HA 0.142 4.882 4.740 -0.000 0.000 0.275 433 N C -0.755 174.716 175.510 -0.065 0.000 1.186 433 N CA -0.289 52.745 53.050 -0.028 0.000 0.978 433 N CB 1.032 39.528 38.487 0.015 0.000 1.184 433 N HN 0.550 nan 8.380 nan 0.000 0.487 434 Q N 0.013 119.737 119.800 -0.128 0.000 2.454 434 Q HA -0.034 4.306 4.340 -0.000 0.000 0.247 434 Q C -0.383 175.481 176.000 -0.226 0.000 1.028 434 Q CA 0.088 55.681 55.803 -0.349 0.000 0.910 434 Q CB 0.203 28.541 28.738 -0.666 0.000 1.276 434 Q HN 0.581 nan 8.270 nan 0.000 0.489 435 Y N -0.788 119.479 120.300 -0.055 0.000 4.324 435 Y HA -0.278 4.272 4.550 0.000 0.000 0.224 435 Y C -0.148 175.735 175.900 -0.029 0.000 1.113 435 Y CA 0.857 58.888 58.100 -0.115 0.000 1.887 435 Y CB -2.536 35.819 38.460 -0.175 0.000 1.602 435 Y HN 0.442 nan 8.280 nan 0.000 0.654 436 S N -1.305 114.441 115.700 0.076 0.000 2.235 436 S HA 0.452 4.922 4.470 -0.000 0.000 0.152 436 S C -2.565 172.057 174.600 0.037 0.000 1.649 436 S CA -1.097 57.146 58.200 0.072 0.000 1.277 436 S CB 1.567 64.811 63.200 0.074 0.000 1.299 436 S HN 0.099 nan 8.310 nan 0.000 0.388 437 P HA 0.411 nan 4.420 nan 0.000 0.279 437 P C -0.615 176.701 177.300 0.025 0.000 1.239 437 P CA -0.480 62.638 63.100 0.030 0.000 0.789 437 P CB 0.955 32.679 31.700 0.040 0.000 0.933 438 L N 1.784 123.023 121.223 0.026 0.000 2.343 438 L HA 0.573 4.913 4.340 -0.000 0.000 0.275 438 L C 0.987 177.870 176.870 0.022 0.000 1.056 438 L CA -1.039 53.811 54.840 0.016 0.000 0.804 438 L CB 1.114 43.186 42.059 0.021 0.000 1.203 438 L HN 0.394 nan 8.230 nan 0.000 0.440 439 A N 1.373 124.191 122.820 -0.003 0.000 2.425 439 A HA 0.226 4.546 4.320 -0.000 0.000 0.242 439 A C 1.228 178.833 177.584 0.035 0.000 1.077 439 A CA -0.049 51.992 52.037 0.005 0.000 0.781 439 A CB 0.167 19.139 19.000 -0.046 0.000 1.020 439 A HN 0.892 nan 8.150 nan 0.000 0.494 440 T N 0.973 115.570 114.554 0.072 0.000 2.759 440 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 440 T C 1.590 176.312 174.700 0.036 0.000 1.042 440 T CA 1.752 63.891 62.100 0.066 0.000 1.140 440 T CB -0.180 68.742 68.868 0.088 0.000 0.864 440 T HN 0.880 nan 8.240 nan 0.000 0.455 441 E N 1.614 121.824 120.200 0.016 0.000 2.427 441 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 441 E C 1.347 177.928 176.600 -0.031 0.000 1.028 441 E CA 0.832 57.226 56.400 -0.011 0.000 0.864 441 E CB -0.139 29.546 29.700 -0.026 0.000 0.813 441 E HN 0.566 nan 8.360 nan 0.000 0.514 442 E N 0.472 120.658 120.200 -0.024 0.000 2.276 442 E HA 0.005 4.354 4.350 -0.000 0.000 0.193 442 E C 2.031 178.639 176.600 0.012 0.000 0.983 442 E CA 0.257 56.636 56.400 -0.035 0.000 0.861 442 E CB 0.237 29.913 29.700 -0.039 0.000 0.817 442 E HN 0.318 nan 8.360 nan 0.000 0.485 443 Q N 0.294 120.114 119.800 0.035 0.000 2.062 443 Q HA -0.103 4.237 4.340 -0.000 0.000 0.196 443 Q C 2.599 178.652 176.000 0.088 0.000 0.967 443 Q CA 1.575 57.416 55.803 0.063 0.000 0.832 443 Q CB -0.124 28.648 28.738 0.058 0.000 0.899 443 Q HN 0.270 nan 8.270 nan 0.000 0.442 444 V N -0.170 119.790 119.914 0.077 0.000 2.332 444 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 444 V C -0.821 175.372 176.094 0.166 0.000 1.055 444 V CA 1.437 63.800 62.300 0.104 0.000 1.038 444 V CB -1.913 29.954 31.823 0.073 0.000 0.651 444 V HN 0.206 nan 8.190 nan 0.000 0.450 445 P HA -0.048 nan 4.420 nan 0.000 0.219 445 P C 2.087 179.647 177.300 0.434 0.000 1.150 445 P CA 1.382 64.639 63.100 0.262 0.000 0.814 445 P CB -0.115 31.643 31.700 0.098 0.000 0.787 446 L N -1.075 120.341 121.223 0.322 0.000 2.083 446 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 446 L C 2.611 179.626 176.870 0.242 0.000 1.083 446 L CA 1.352 56.392 54.840 0.334 0.000 0.752 446 L CB -0.699 41.501 42.059 0.236 0.000 0.899 446 L HN -0.124 nan 8.230 nan 0.000 0.433 447 I N -2.039 118.648 120.570 0.195 0.000 2.852 447 I HA -0.217 3.953 4.170 -0.000 0.000 0.264 447 I C 2.384 178.579 176.117 0.131 0.000 1.179 447 I CA 0.504 61.881 61.300 0.127 0.000 1.480 447 I CB -0.065 37.994 38.000 0.099 0.000 1.111 447 I HN 0.159 nan 8.210 nan 0.000 0.441 448 Y N 1.975 122.333 120.300 0.097 0.000 2.181 448 Y HA -0.256 4.294 4.550 0.000 0.000 0.288 448 Y C 2.510 178.474 175.900 0.107 0.000 1.146 448 Y CA 1.492 59.649 58.100 0.095 0.000 1.164 448 Y CB -0.221 38.314 38.460 0.124 0.000 0.982 448 Y HN 0.110 nan 8.280 nan 0.000 0.515 449 A N 0.369 123.339 122.820 0.250 0.000 1.865 449 A HA -0.120 4.199 4.320 -0.000 0.000 0.217 449 A C 2.474 180.022 177.584 -0.059 0.000 1.191 449 A CA 1.959 54.092 52.037 0.160 0.000 0.623 449 A CB -1.768 17.351 19.000 0.199 0.000 0.826 449 A HN 0.601 nan 8.150 nan 0.000 0.444 450 G N -0.611 108.154 108.800 -0.058 0.000 2.552 450 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 450 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 450 G C 1.550 176.308 174.900 -0.237 0.000 1.240 450 G CA 1.383 46.395 45.100 -0.146 0.000 0.796 450 G HN 0.339 nan 8.290 nan 0.000 0.568 451 V N 1.634 121.423 119.914 -0.209 0.000 2.278 451 V HA -0.179 3.941 4.120 -0.000 0.000 0.251 451 V C 1.672 177.555 176.094 -0.352 0.000 1.062 451 V CA 1.912 64.061 62.300 -0.251 0.000 1.038 451 V CB -0.369 31.359 31.823 -0.159 0.000 0.646 451 V HN 0.368 nan 8.190 nan 0.000 0.447 452 N N -0.154 118.267 118.700 -0.465 0.000 2.466 452 N HA 0.208 4.948 4.740 -0.000 0.000 0.251 452 N C 1.286 176.375 175.510 -0.702 0.000 1.164 452 N CA 0.906 53.604 53.050 -0.588 0.000 0.888 452 N CB 0.521 38.517 38.487 -0.818 0.000 1.177 452 N HN 0.595 nan 8.380 nan 0.000 0.498 453 G N 0.301 108.796 108.800 -0.509 0.000 2.212 453 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.266 453 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.266 453 G C 0.553 175.242 174.900 -0.352 0.000 0.978 453 G CA 0.358 45.203 45.100 -0.424 0.000 0.632 453 G HN 0.624 nan 8.290 nan 0.000 0.537 454 H N -0.095 118.852 119.070 -0.206 0.000 2.562 454 H HA 0.406 4.962 4.556 0.000 0.000 0.274 454 H C 2.151 177.330 175.328 -0.249 0.000 1.038 454 H CA 0.560 56.503 56.048 -0.174 0.000 1.161 454 H CB 0.081 29.774 29.762 -0.115 0.000 1.318 454 H HN 0.441 nan 8.280 nan 0.000 0.617 455 L N -0.581 120.515 121.223 -0.212 0.000 2.781 455 L HA 0.055 4.395 4.340 -0.000 0.000 0.245 455 L C 0.923 177.645 176.870 -0.247 0.000 1.118 455 L CA 0.020 54.666 54.840 -0.324 0.000 0.918 455 L CB 0.401 42.242 42.059 -0.364 0.000 1.246 455 L HN 0.170 nan 8.230 nan 0.000 0.526 456 D N 1.118 121.400 120.400 -0.197 0.000 2.309 456 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 456 D C 1.976 178.202 176.300 -0.124 0.000 0.968 456 D CA 1.289 55.194 54.000 -0.159 0.000 0.882 456 D CB 0.060 40.769 40.800 -0.153 0.000 0.918 456 D HN 0.346 nan 8.370 nan 0.000 0.503 457 G N 0.240 108.966 108.800 -0.123 0.000 2.459 457 G HA2 0.031 3.991 3.960 -0.000 0.000 0.213 457 G HA3 0.031 3.991 3.960 -0.000 0.000 0.213 457 G C 0.876 175.716 174.900 -0.101 0.000 1.155 457 G CA -0.282 44.761 45.100 -0.095 0.000 0.811 457 G HN 0.181 nan 8.290 nan 0.000 0.534 458 I N 2.387 122.872 120.570 -0.143 0.000 2.556 458 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 458 I C 0.612 176.665 176.117 -0.107 0.000 1.114 458 I CA -0.277 60.943 61.300 -0.135 0.000 1.418 458 I CB 0.867 38.734 38.000 -0.221 0.000 1.394 458 I HN 0.449 nan 8.210 nan 0.000 0.552 459 E N 5.906 126.067 120.200 -0.065 0.000 2.398 459 E HA -0.026 4.323 4.350 -0.000 0.000 0.263 459 E C 0.555 177.130 176.600 -0.043 0.000 1.046 459 E CA -0.695 55.678 56.400 -0.046 0.000 0.908 459 E CB 1.023 30.708 29.700 -0.024 0.000 0.963 459 E HN 0.388 nan 8.360 nan 0.000 0.431 460 L N 3.272 124.474 121.223 -0.036 0.000 2.187 460 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 460 L C 2.374 179.239 176.870 -0.009 0.000 1.100 460 L CA 2.288 57.110 54.840 -0.029 0.000 0.765 460 L CB -1.115 40.933 42.059 -0.018 0.000 0.904 460 L HN 0.825 nan 8.230 nan 0.000 0.437 461 S N -1.374 114.327 115.700 0.001 0.000 2.447 461 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 461 S C 1.869 176.487 174.600 0.029 0.000 1.006 461 S CA 0.681 58.890 58.200 0.015 0.000 0.957 461 S CB -0.321 62.889 63.200 0.015 0.000 0.773 461 S HN 0.505 nan 8.310 nan 0.000 0.507 462 R N 0.120 120.637 120.500 0.029 0.000 2.334 462 R HA 0.353 4.693 4.340 -0.000 0.000 0.212 462 R C 1.348 177.714 176.300 0.111 0.000 0.897 462 R CA -0.025 56.115 56.100 0.067 0.000 1.056 462 R CB -0.079 30.259 30.300 0.064 0.000 1.046 462 R HN 0.381 nan 8.270 nan 0.000 0.513 463 I N 0.831 121.431 120.570 0.050 0.000 2.530 463 I HA -0.163 4.007 4.170 -0.000 0.000 0.257 463 I C 2.140 178.357 176.117 0.166 0.000 1.179 463 I CA 1.415 62.752 61.300 0.062 0.000 1.440 463 I CB -1.389 36.593 38.000 -0.030 0.000 1.087 463 I HN 0.180 nan 8.210 nan 0.000 0.440 464 G N 2.241 111.114 108.800 0.122 0.000 2.556 464 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 464 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 464 G C 1.416 176.407 174.900 0.153 0.000 1.258 464 G CA 0.823 45.993 45.100 0.118 0.000 0.811 464 G HN 0.593 nan 8.290 nan 0.000 0.557 465 E N -0.358 119.926 120.200 0.140 0.000 2.273 465 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 465 E C 2.022 178.744 176.600 0.203 0.000 1.002 465 E CA 1.215 57.700 56.400 0.142 0.000 0.828 465 E CB -0.445 29.325 29.700 0.116 0.000 0.747 465 E HN 0.468 nan 8.360 nan 0.000 0.491 466 F N 1.949 121.969 119.950 0.117 0.000 2.128 466 F HA -0.068 4.459 4.527 0.000 0.000 0.295 466 F C 2.350 178.265 175.800 0.192 0.000 1.100 466 F CA 1.775 59.886 58.000 0.184 0.000 1.260 466 F CB -0.142 38.935 39.000 0.128 0.000 1.009 466 F HN -0.012 nan 8.300 nan 0.000 0.476 467 E N -0.331 120.039 120.200 0.283 0.000 2.085 467 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 467 E C 2.339 178.946 176.600 0.011 0.000 0.994 467 E CA 1.457 57.952 56.400 0.158 0.000 0.801 467 E CB -0.423 29.405 29.700 0.213 0.000 0.743 467 E HN 0.451 nan 8.360 nan 0.000 0.453 468 S N -0.348 115.376 115.700 0.040 0.000 2.353 468 S HA -0.142 4.328 4.470 -0.000 0.000 0.222 468 S C 2.165 176.751 174.600 -0.024 0.000 1.035 468 S CA 1.786 59.995 58.200 0.014 0.000 1.025 468 S CB -0.266 62.963 63.200 0.047 0.000 0.902 468 S HN 0.258 nan 8.310 nan 0.000 0.440 469 S N 0.211 115.912 115.700 0.001 0.000 2.428 469 S HA 0.059 4.529 4.470 -0.000 0.000 0.230 469 S C 1.367 175.848 174.600 -0.198 0.000 1.014 469 S CA 0.848 59.080 58.200 0.052 0.000 0.957 469 S CB -0.412 62.953 63.200 0.274 0.000 0.784 469 S HN 0.656 nan 8.310 nan 0.000 0.499 470 F N 2.328 121.796 119.950 -0.802 0.000 2.187 470 F HA 0.131 4.658 4.527 0.000 0.000 0.295 470 F C 1.625 177.065 175.800 -0.600 0.000 1.091 470 F CA 0.870 58.017 58.000 -1.423 0.000 1.308 470 F CB -0.554 37.541 39.000 -1.509 0.000 1.030 470 F HN 0.085 nan 8.300 nan 0.000 0.487 471 L N -0.075 120.866 121.223 -0.470 0.000 1.994 471 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 471 L C 2.692 179.400 176.870 -0.270 0.000 1.071 471 L CA 1.604 56.208 54.840 -0.393 0.000 0.745 471 L CB -1.175 40.757 42.059 -0.212 0.000 0.892 471 L HN 0.210 nan 8.230 nan 0.000 0.431 472 S N -0.535 115.066 115.700 -0.165 0.000 2.359 472 S HA -0.320 4.150 4.470 -0.000 0.000 0.224 472 S C 1.949 176.502 174.600 -0.079 0.000 1.035 472 S CA 1.588 59.732 58.200 -0.093 0.000 1.018 472 S CB -1.083 62.099 63.200 -0.031 0.000 0.876 472 S HN 0.479 nan 8.310 nan 0.000 0.448 473 Y N 2.621 122.810 120.300 -0.185 0.000 2.128 473 Y HA -0.092 4.458 4.550 0.000 0.000 0.284 473 Y C 2.112 177.911 175.900 -0.167 0.000 1.154 473 Y CA 1.472 59.500 58.100 -0.120 0.000 1.149 473 Y CB -0.530 37.903 38.460 -0.044 0.000 0.976 473 Y HN 0.165 nan 8.280 nan 0.000 0.505 474 L N 0.311 121.382 121.223 -0.253 0.000 2.079 474 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 474 L C 2.472 179.179 176.870 -0.271 0.000 1.081 474 L CA 1.726 56.388 54.840 -0.297 0.000 0.752 474 L CB -0.517 41.271 42.059 -0.451 0.000 0.896 474 L HN 0.271 nan 8.230 nan 0.000 0.433 475 K N -0.486 119.770 120.400 -0.241 0.000 2.057 475 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 475 K C 2.232 178.709 176.600 -0.204 0.000 1.049 475 K CA 1.668 57.842 56.287 -0.189 0.000 0.931 475 K CB -0.096 32.316 32.500 -0.146 0.000 0.714 475 K HN 0.251 nan 8.250 nan 0.000 0.440 476 S N 1.145 116.701 115.700 -0.241 0.000 2.368 476 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 476 S C 1.510 175.918 174.600 -0.320 0.000 1.029 476 S CA 1.120 59.179 58.200 -0.235 0.000 0.988 476 S CB -0.117 62.965 63.200 -0.197 0.000 0.838 476 S HN 0.331 nan 8.310 nan 0.000 0.462 477 N N 0.018 118.402 118.700 -0.527 0.000 2.545 477 N HA 0.054 4.794 4.740 -0.000 0.000 0.190 477 N C 0.020 175.096 175.510 -0.722 0.000 1.043 477 N CA 0.599 53.220 53.050 -0.716 0.000 0.879 477 N CB 0.104 37.918 38.487 -1.122 0.000 1.210 477 N HN 0.410 nan 8.380 nan 0.000 0.437 478 H N 0.507 119.405 119.070 -0.286 0.000 2.505 478 H HA 0.243 4.799 4.556 -0.000 0.000 0.260 478 H C 0.358 175.587 175.328 -0.165 0.000 1.232 478 H CA -0.244 55.689 56.048 -0.192 0.000 0.991 478 H CB 0.024 29.683 29.762 -0.172 0.000 1.729 478 H HN 0.152 nan 8.280 nan 0.000 0.561 479 N N 1.383 120.023 118.700 -0.100 0.000 2.348 479 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 479 N C 1.464 176.940 175.510 -0.057 0.000 1.019 479 N CA 1.040 54.037 53.050 -0.088 0.000 0.880 479 N CB 0.430 38.858 38.487 -0.100 0.000 0.965 479 N HN 0.516 nan 8.380 nan 0.000 0.437 480 E N -0.019 120.159 120.200 -0.037 0.000 2.038 480 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 480 E C 1.930 178.514 176.600 -0.026 0.000 1.000 480 E CA 1.776 58.161 56.400 -0.025 0.000 0.803 480 E CB -0.420 29.275 29.700 -0.008 0.000 0.750 480 E HN 0.525 nan 8.360 nan 0.000 0.448 481 L N -0.550 120.658 121.223 -0.024 0.000 2.179 481 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 481 L C 2.334 179.174 176.870 -0.049 0.000 1.096 481 L CA 0.751 55.567 54.840 -0.041 0.000 0.779 481 L CB -0.639 41.383 42.059 -0.060 0.000 0.922 481 L HN 0.013 nan 8.230 nan 0.000 0.443 482 L N 0.386 121.574 121.223 -0.058 0.000 1.971 482 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 482 L C 2.785 179.627 176.870 -0.047 0.000 1.072 482 L CA 2.163 56.965 54.840 -0.064 0.000 0.758 482 L CB -1.358 40.650 42.059 -0.084 0.000 0.889 482 L HN 0.325 nan 8.230 nan 0.000 0.433 483 T N -0.901 113.626 114.554 -0.044 0.000 2.635 483 T HA -0.299 4.051 4.350 -0.000 0.000 0.267 483 T C 1.805 176.491 174.700 -0.023 0.000 1.040 483 T CA 1.932 64.012 62.100 -0.034 0.000 1.156 483 T CB -0.260 68.588 68.868 -0.034 0.000 0.863 483 T HN 0.382 nan 8.240 nan 0.000 0.430 484 E N 0.232 120.417 120.200 -0.024 0.000 2.118 484 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 484 E C 2.182 178.774 176.600 -0.013 0.000 0.992 484 E CA 0.964 57.353 56.400 -0.017 0.000 0.804 484 E CB -0.223 29.465 29.700 -0.020 0.000 0.741 484 E HN 0.515 nan 8.360 nan 0.000 0.458 485 I N 0.507 121.066 120.570 -0.019 0.000 2.099 485 I HA -0.306 3.864 4.170 -0.000 0.000 0.239 485 I C 2.892 179.012 176.117 0.004 0.000 1.066 485 I CA 1.332 62.626 61.300 -0.010 0.000 1.324 485 I CB -0.377 37.613 38.000 -0.017 0.000 1.037 485 I HN 0.106 nan 8.210 nan 0.000 0.401 486 R N 0.862 121.364 120.500 0.003 0.000 2.103 486 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 486 R C 2.132 178.451 176.300 0.030 0.000 1.142 486 R CA 1.958 58.071 56.100 0.022 0.000 0.960 486 R CB -0.091 30.211 30.300 0.004 0.000 0.858 486 R HN 0.453 nan 8.270 nan 0.000 0.439 487 E N -0.422 119.786 120.200 0.014 0.000 2.060 487 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 487 E C 1.994 178.602 176.600 0.014 0.000 0.974 487 E CA 0.765 57.175 56.400 0.015 0.000 0.808 487 E CB 0.193 29.897 29.700 0.005 0.000 0.768 487 E HN 0.296 nan 8.360 nan 0.000 0.453 488 K N -0.445 119.959 120.400 0.007 0.000 2.167 488 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 488 K C 1.512 178.116 176.600 0.007 0.000 1.052 488 K CA 0.804 57.094 56.287 0.006 0.000 0.956 488 K CB 0.294 32.794 32.500 0.001 0.000 0.735 488 K HN 0.275 nan 8.250 nan 0.000 0.451 489 G N 1.872 110.678 108.800 0.010 0.000 2.220 489 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.269 489 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.269 489 G C 0.036 174.941 174.900 0.008 0.000 0.977 489 G CA 0.736 45.843 45.100 0.011 0.000 0.634 489 G HN 0.411 nan 8.290 nan 0.000 0.539 490 E N -0.942 119.262 120.200 0.006 0.000 2.259 490 E HA 0.743 5.093 4.350 -0.000 0.000 0.257 490 E C -0.264 176.337 176.600 0.002 0.000 0.998 490 E CA -0.944 55.459 56.400 0.006 0.000 0.866 490 E CB 1.330 31.034 29.700 0.006 0.000 1.220 490 E HN 0.159 nan 8.360 nan 0.000 0.415 491 L N 2.058 123.283 121.223 0.004 0.000 2.377 491 L HA 0.246 4.586 4.340 -0.000 0.000 0.270 491 L C 0.165 177.034 176.870 -0.002 0.000 0.991 491 L CA -0.635 54.202 54.840 -0.005 0.000 0.851 491 L CB 1.451 43.506 42.059 -0.006 0.000 1.218 491 L HN 0.570 nan 8.230 nan 0.000 0.420 492 S N 2.069 117.765 115.700 -0.007 0.000 2.617 492 S HA 0.185 4.655 4.470 -0.000 0.000 0.255 492 S C 1.004 175.601 174.600 -0.004 0.000 1.318 492 S CA -0.508 57.690 58.200 -0.003 0.000 0.978 492 S CB 0.988 64.184 63.200 -0.006 0.000 0.961 492 S HN 0.591 nan 8.310 nan 0.000 0.582 493 K N 0.541 120.942 120.400 0.001 0.000 2.103 493 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 493 K C 1.914 178.512 176.600 -0.003 0.000 1.052 493 K CA 1.280 57.570 56.287 0.005 0.000 0.945 493 K CB -0.336 32.170 32.500 0.011 0.000 0.722 493 K HN 0.569 nan 8.250 nan 0.000 0.443 494 E N 1.497 121.693 120.200 -0.007 0.000 2.110 494 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 494 E C 1.952 178.534 176.600 -0.030 0.000 0.988 494 E CA 0.657 57.050 56.400 -0.013 0.000 0.804 494 E CB -0.154 29.540 29.700 -0.011 0.000 0.745 494 E HN 0.164 nan 8.360 nan 0.000 0.458 495 L N 0.005 121.205 121.223 -0.038 0.000 2.056 495 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 495 L C 2.112 178.915 176.870 -0.112 0.000 1.078 495 L CA 0.905 55.706 54.840 -0.065 0.000 0.749 495 L CB -0.242 41.784 42.059 -0.055 0.000 0.901 495 L HN 0.213 nan 8.230 nan 0.000 0.433 496 L N -0.613 120.551 121.223 -0.098 0.000 2.046 496 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 496 L C 2.815 179.605 176.870 -0.133 0.000 1.077 496 L CA 1.228 55.976 54.840 -0.155 0.000 0.747 496 L CB -0.843 41.205 42.059 -0.019 0.000 0.896 496 L HN 0.239 nan 8.230 nan 0.000 0.432 497 A N -0.777 122.014 122.820 -0.049 0.000 1.972 497 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 497 A C 2.525 180.083 177.584 -0.044 0.000 1.169 497 A CA 2.019 54.046 52.037 -0.016 0.000 0.635 497 A CB -0.465 18.536 19.000 0.001 0.000 0.810 497 A HN 0.359 nan 8.150 nan 0.000 0.446 498 S N -0.655 115.000 115.700 -0.076 0.000 2.357 498 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 498 S C 1.825 176.337 174.600 -0.147 0.000 1.031 498 S CA 1.074 59.218 58.200 -0.092 0.000 0.982 498 S CB -0.336 62.815 63.200 -0.083 0.000 0.853 498 S HN 0.396 nan 8.310 nan 0.000 0.458 499 L N 2.418 123.517 121.223 -0.207 0.000 2.012 499 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 499 L C 2.219 178.968 176.870 -0.202 0.000 1.073 499 L CA 1.834 56.504 54.840 -0.283 0.000 0.748 499 L CB -0.821 40.913 42.059 -0.542 0.000 0.891 499 L HN 0.208 nan 8.230 nan 0.000 0.431 500 K N -1.525 118.776 120.400 -0.164 0.000 2.063 500 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 500 K C 2.359 178.976 176.600 0.028 0.000 1.048 500 K CA 1.632 57.987 56.287 0.114 0.000 0.928 500 K CB -0.173 32.450 32.500 0.205 0.000 0.713 500 K HN 0.341 nan 8.250 nan 0.000 0.442 501 S N -0.312 115.379 115.700 -0.015 0.000 2.368 501 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 501 S C 1.921 176.514 174.600 -0.012 0.000 1.029 501 S CA 1.170 59.363 58.200 -0.012 0.000 0.988 501 S CB -0.226 62.964 63.200 -0.016 0.000 0.838 501 S HN 0.465 nan 8.310 nan 0.000 0.462 502 A N 0.342 123.110 122.820 -0.085 0.000 1.968 502 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 502 A C 2.303 180.027 177.584 0.234 0.000 1.169 502 A CA 1.949 53.931 52.037 -0.091 0.000 0.638 502 A CB -1.253 17.462 19.000 -0.475 0.000 0.812 502 A HN 0.583 nan 8.150 nan 0.000 0.446 503 T N 0.169 114.824 114.554 0.169 0.000 2.698 503 T HA -0.109 4.241 4.350 -0.000 0.000 0.260 503 T C 1.743 176.403 174.700 -0.067 0.000 1.044 503 T CA 1.411 63.568 62.100 0.095 0.000 1.149 503 T CB -0.310 68.588 68.868 0.051 0.000 0.864 503 T HN 0.594 nan 8.240 nan 0.000 0.419 504 E N 1.269 121.358 120.200 -0.185 0.000 2.160 504 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 504 E C 2.463 179.039 176.600 -0.039 0.000 0.991 504 E CA 1.065 57.361 56.400 -0.172 0.000 0.810 504 E CB -0.207 29.415 29.700 -0.130 0.000 0.742 504 E HN 0.311 nan 8.360 nan 0.000 0.466 505 S N 0.280 116.005 115.700 0.042 0.000 2.406 505 S HA -0.080 4.389 4.470 -0.000 0.000 0.228 505 S C 1.471 176.091 174.600 0.033 0.000 1.020 505 S CA 0.504 58.754 58.200 0.084 0.000 0.965 505 S CB -0.152 63.167 63.200 0.198 0.000 0.798 505 S HN 0.269 nan 8.310 nan 0.000 0.488 506 F N 2.016 121.889 119.950 -0.129 0.000 2.187 506 F HA -0.010 4.517 4.527 -0.000 0.000 0.295 506 F C 2.003 177.698 175.800 -0.175 0.000 1.091 506 F CA 0.703 58.514 58.000 -0.315 0.000 1.308 506 F CB -0.401 38.407 39.000 -0.321 0.000 1.030 506 F HN -0.067 nan 8.300 nan 0.000 0.487 507 V N 0.881 120.749 119.914 -0.077 0.000 2.233 507 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 507 V C 2.790 178.783 176.094 -0.168 0.000 1.050 507 V CA 2.006 64.256 62.300 -0.084 0.000 1.010 507 V CB -1.749 30.061 31.823 -0.021 0.000 0.637 507 V HN 0.438 nan 8.190 nan 0.000 0.444 508 A N -1.488 121.255 122.820 -0.128 0.000 2.032 508 A HA -0.161 4.159 4.320 -0.000 0.000 0.221 508 A C 1.712 179.208 177.584 -0.147 0.000 1.165 508 A CA 2.193 54.166 52.037 -0.107 0.000 0.645 508 A CB -0.488 18.473 19.000 -0.065 0.000 0.807 508 A HN 0.523 nan 8.150 nan 0.000 0.453 509 T N 0.000 114.411 114.554 -0.238 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.935 62.100 -0.275 0.000 1.349 509 T CB 0.000 68.712 68.868 -0.260 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658