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 2hld_1_C 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 AQFGSDLDAS 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 0.000 175.496 175.510 -0.023 0.000 1.280 26 N CA 0.000 53.044 53.050 -0.009 0.000 0.885 26 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 27 L N 1.466 122.669 121.223 -0.034 0.000 2.552 27 L HA 0.095 4.434 4.340 -0.001 0.000 0.227 27 L C 1.203 178.016 176.870 -0.095 0.000 1.146 27 L CA 0.289 55.086 54.840 -0.073 0.000 0.858 27 L CB -0.154 41.837 42.059 -0.112 0.000 0.969 27 L HN 0.443 nan 8.230 nan 0.000 0.451 28 N N 0.134 118.793 118.700 -0.068 0.000 2.171 28 N HA -0.127 4.612 4.740 -0.001 0.000 0.184 28 N C 1.536 177.009 175.510 -0.061 0.000 1.021 28 N CA 1.084 54.095 53.050 -0.066 0.000 0.854 28 N CB 0.075 38.534 38.487 -0.048 0.000 0.994 28 N HN 0.272 nan 8.380 nan 0.000 0.426 29 E N -0.516 119.653 120.200 -0.051 0.000 2.489 29 E HA 0.106 4.455 4.350 -0.001 0.000 0.204 29 E C 0.351 176.917 176.600 -0.056 0.000 1.006 29 E CA 0.252 56.624 56.400 -0.047 0.000 0.936 29 E CB 0.644 30.324 29.700 -0.034 0.000 1.002 29 E HN 0.410 nan 8.360 nan 0.000 0.488 30 T N -2.404 112.114 114.554 -0.061 0.000 2.883 30 T HA 0.772 5.122 4.350 -0.001 0.000 0.296 30 T C 0.164 174.820 174.700 -0.073 0.000 1.117 30 T CA -0.557 61.502 62.100 -0.068 0.000 1.006 30 T CB 2.564 71.404 68.868 -0.046 0.000 1.191 30 T HN -0.001 nan 8.240 nan 0.000 0.508 31 G N 0.087 108.843 108.800 -0.074 0.000 2.687 31 G HA2 0.688 4.647 3.960 -0.001 0.000 0.291 31 G HA3 0.688 4.647 3.960 -0.001 0.000 0.291 31 G C -1.662 173.242 174.900 0.006 0.000 1.420 31 G CA -1.142 43.936 45.100 -0.037 0.000 0.796 31 G HN 0.814 nan 8.290 nan 0.000 0.485 32 R N -0.758 119.798 120.500 0.094 0.000 2.711 32 R HA 0.567 4.907 4.340 -0.001 0.000 0.284 32 R C -0.703 175.670 176.300 0.121 0.000 0.968 32 R CA -0.747 55.414 56.100 0.102 0.000 0.924 32 R CB 2.520 32.897 30.300 0.128 0.000 1.162 32 R HN 0.291 nan 8.270 nan 0.000 0.465 33 V N 4.853 124.834 119.914 0.111 0.000 2.479 33 V HA 0.001 4.120 4.120 -0.001 0.000 0.281 33 V C 1.358 177.509 176.094 0.095 0.000 1.031 33 V CA 0.361 62.740 62.300 0.132 0.000 1.038 33 V CB 0.831 32.760 31.823 0.176 0.000 0.981 33 V HN 0.721 nan 8.190 nan 0.000 0.478 34 L N 4.252 125.531 121.223 0.092 0.000 2.202 34 L HA 0.417 4.756 4.340 -0.001 0.000 0.205 34 L C 0.925 177.818 176.870 0.038 0.000 1.083 34 L CA 1.166 56.037 54.840 0.052 0.000 0.790 34 L CB -0.024 42.070 42.059 0.059 0.000 0.942 34 L HN 0.776 nan 8.230 nan 0.000 0.452 35 A N -0.926 121.923 122.820 0.050 0.000 2.594 35 A HA 0.655 4.975 4.320 -0.001 0.000 0.296 35 A C -1.708 175.897 177.584 0.034 0.000 1.061 35 A CA -0.387 51.668 52.037 0.031 0.000 0.689 35 A CB 1.847 20.859 19.000 0.020 0.000 1.280 35 A HN -0.214 nan 8.150 nan 0.000 0.406 36 V N 0.437 120.360 119.914 0.015 0.000 2.969 36 V HA 0.938 5.057 4.120 -0.001 0.000 0.304 36 V C -0.200 175.882 176.094 -0.021 0.000 1.192 36 V CA 0.823 63.121 62.300 -0.003 0.000 0.962 36 V CB 2.167 33.984 31.823 -0.009 0.000 1.045 36 V HN 2.493 nan 8.190 nan 0.000 0.428 37 G N 2.986 111.765 108.800 -0.035 0.000 2.404 37 G HA2 0.470 4.430 3.960 -0.001 0.000 0.298 37 G HA3 0.470 4.430 3.960 -0.001 0.000 0.298 37 G C -0.731 174.143 174.900 -0.044 0.000 1.577 37 G CA 0.107 45.185 45.100 -0.035 0.000 0.847 37 G HN 0.937 nan 8.290 nan 0.000 0.598 38 D N -0.586 119.789 120.400 -0.042 0.000 2.860 38 D HA -0.217 4.422 4.640 -0.001 0.000 0.229 38 D C 1.666 177.933 176.300 -0.055 0.000 1.169 38 D CA 2.918 56.893 54.000 -0.042 0.000 0.737 38 D CB -1.112 39.666 40.800 -0.037 0.000 1.080 38 D HN 2.303 nan 8.370 nan 0.000 0.424 39 G N -1.388 107.368 108.800 -0.072 0.000 2.175 39 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.244 39 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.244 39 G C 0.154 174.991 174.900 -0.105 0.000 0.982 39 G CA 0.249 45.293 45.100 -0.094 0.000 0.641 39 G HN 0.430 nan 8.290 nan 0.000 0.527 40 I N 1.106 121.628 120.570 -0.080 0.000 2.460 40 I HA 0.778 4.947 4.170 -0.001 0.000 0.298 40 I C 0.422 176.518 176.117 -0.034 0.000 0.989 40 I CA -0.988 60.277 61.300 -0.058 0.000 1.173 40 I CB 1.456 39.430 38.000 -0.044 0.000 1.338 40 I HN 0.476 nan 8.210 nan 0.000 0.456 41 A N 6.737 129.566 122.820 0.014 0.000 2.374 41 A HA 0.737 5.056 4.320 -0.001 0.000 0.305 41 A C -0.439 177.204 177.584 0.098 0.000 1.053 41 A CA -0.762 51.322 52.037 0.079 0.000 0.726 41 A CB 1.188 20.303 19.000 0.191 0.000 1.229 41 A HN 0.687 nan 8.150 nan 0.000 0.431 42 R N 1.231 121.780 120.500 0.081 0.000 2.207 42 R HA 0.527 4.866 4.340 -0.001 0.000 0.334 42 R C -1.111 175.250 176.300 0.102 0.000 1.013 42 R CA -0.294 55.851 56.100 0.076 0.000 0.858 42 R CB 1.522 31.856 30.300 0.056 0.000 1.094 42 R HN 0.441 nan 8.270 nan 0.000 0.457 43 V N 4.918 124.888 119.914 0.093 0.000 2.384 43 V HA 0.263 4.382 4.120 -0.001 0.000 0.287 43 V C -0.319 175.842 176.094 0.112 0.000 1.020 43 V CA -0.879 61.478 62.300 0.094 0.000 0.850 43 V CB 1.074 32.913 31.823 0.028 0.000 0.987 43 V HN 0.543 nan 8.190 nan 0.000 0.436 44 F N 4.508 124.456 119.950 -0.003 0.000 2.471 44 F HA 0.656 5.183 4.527 -0.001 0.000 0.353 44 F C 0.995 176.785 175.800 -0.018 0.000 1.113 44 F CA 1.581 59.577 58.000 -0.008 0.000 1.262 44 F CB 0.747 39.745 39.000 -0.004 0.000 1.146 44 F HN 0.939 nan 8.300 nan 0.000 0.578 45 G N 4.025 112.370 108.800 -0.758 0.000 2.499 45 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.232 45 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.232 45 G C 0.054 174.796 174.900 -0.263 0.000 1.251 45 G CA -0.452 44.346 45.100 -0.504 0.000 0.917 45 G HN 1.499 nan 8.290 nan 0.000 0.580 46 L N -0.760 120.358 121.223 -0.175 0.000 3.717 46 L HA -0.227 4.112 4.340 -0.001 0.000 0.414 46 L C 1.612 178.413 176.870 -0.114 0.000 1.228 46 L CA 0.581 55.346 54.840 -0.124 0.000 0.918 46 L CB -1.454 40.541 42.059 -0.108 0.000 1.865 46 L HN 0.657 nan 8.230 nan 0.000 0.922 47 N N 0.192 118.814 118.700 -0.129 0.000 2.258 47 N HA -0.134 4.606 4.740 -0.001 0.000 0.187 47 N C 1.249 176.716 175.510 -0.072 0.000 1.012 47 N CA 1.636 54.621 53.050 -0.108 0.000 0.870 47 N CB -0.172 38.249 38.487 -0.110 0.000 0.977 47 N HN 0.545 nan 8.380 nan 0.000 0.434 48 N N 0.125 118.788 118.700 -0.061 0.000 2.230 48 N HA 0.140 4.879 4.740 -0.001 0.000 0.202 48 N C 0.266 175.754 175.510 -0.037 0.000 1.119 48 N CA -0.180 52.845 53.050 -0.043 0.000 0.851 48 N CB 0.737 39.202 38.487 -0.037 0.000 0.990 48 N HN 0.291 nan 8.380 nan 0.000 0.497 49 I N 1.248 121.792 120.570 -0.043 0.000 2.813 49 I HA -0.105 4.064 4.170 -0.001 0.000 0.287 49 I C 0.209 176.313 176.117 -0.021 0.000 1.196 49 I CA 0.128 61.408 61.300 -0.033 0.000 1.421 49 I CB 0.631 38.607 38.000 -0.040 0.000 1.365 49 I HN 0.010 nan 8.210 nan 0.000 0.591 50 Q N 5.146 124.940 119.800 -0.010 0.000 2.222 50 Q HA 0.521 4.861 4.340 -0.001 0.000 0.252 50 Q C -0.304 175.699 176.000 0.004 0.000 0.926 50 Q CA -0.949 54.853 55.803 -0.002 0.000 0.899 50 Q CB 1.662 30.402 28.738 0.003 0.000 1.250 50 Q HN 0.774 nan 8.270 nan 0.000 0.441 51 A N 2.184 125.008 122.820 0.007 0.000 2.511 51 A HA 0.042 4.362 4.320 -0.001 0.000 0.242 51 A C 0.166 177.764 177.584 0.024 0.000 1.069 51 A CA 0.294 52.340 52.037 0.014 0.000 0.763 51 A CB -0.139 18.870 19.000 0.015 0.000 1.001 51 A HN 0.993 nan 8.150 nan 0.000 0.498 52 E N -0.577 119.643 120.200 0.033 0.000 3.286 52 E HA -0.204 4.145 4.350 -0.001 0.000 0.292 52 E C 0.132 176.772 176.600 0.066 0.000 0.928 52 E CA 1.185 57.617 56.400 0.053 0.000 0.982 52 E CB -1.352 28.377 29.700 0.048 0.000 1.500 52 E HN 0.908 nan 8.360 nan 0.000 0.441 53 E N 0.871 121.101 120.200 0.051 0.000 2.354 53 E HA 0.268 4.617 4.350 -0.001 0.000 0.269 53 E C -0.310 176.340 176.600 0.083 0.000 1.036 53 E CA -0.466 55.965 56.400 0.053 0.000 0.876 53 E CB 0.675 30.391 29.700 0.026 0.000 1.009 53 E HN 0.102 nan 8.360 nan 0.000 0.416 54 L N 5.375 126.657 121.223 0.098 0.000 2.416 54 L HA 0.195 4.535 4.340 -0.001 0.000 0.272 54 L C -0.712 176.214 176.870 0.092 0.000 1.161 54 L CA 0.022 54.946 54.840 0.141 0.000 0.845 54 L CB 1.096 43.233 42.059 0.130 0.000 1.119 54 L HN 0.377 nan 8.230 nan 0.000 0.464 55 V N 1.254 121.235 119.914 0.112 0.000 2.914 55 V HA 0.674 4.793 4.120 -0.001 0.000 0.314 55 V C -0.674 175.463 176.094 0.071 0.000 1.084 55 V CA -0.807 61.510 62.300 0.029 0.000 0.963 55 V CB 1.927 33.702 31.823 -0.079 0.000 1.025 55 V HN 0.802 nan 8.190 nan 0.000 0.432 56 E N 2.137 122.334 120.200 -0.005 0.000 2.165 56 E HA 0.556 4.906 4.350 -0.001 0.000 0.266 56 E C -1.603 174.984 176.600 -0.022 0.000 0.889 56 E CA -0.435 56.002 56.400 0.061 0.000 0.756 56 E CB 1.957 31.689 29.700 0.053 0.000 1.131 56 E HN 0.656 nan 8.360 nan 0.000 0.411 57 F N 1.445 121.420 119.950 0.042 0.000 2.384 57 F HA 0.030 4.556 4.527 -0.001 0.000 0.338 57 F C 1.914 177.732 175.800 0.029 0.000 1.103 57 F CA -0.009 58.010 58.000 0.032 0.000 1.157 57 F CB 1.439 40.457 39.000 0.031 0.000 1.167 57 F HN 0.502 nan 8.300 nan 0.000 0.529 58 S N 0.351 116.152 115.700 0.169 0.000 2.419 58 S HA -0.197 4.272 4.470 -0.001 0.000 0.235 58 S C 2.024 176.694 174.600 0.116 0.000 1.019 58 S CA 1.398 59.663 58.200 0.108 0.000 0.982 58 S CB -0.744 62.500 63.200 0.073 0.000 0.789 58 S HN 0.704 nan 8.310 nan 0.000 0.490 59 S N -0.016 115.775 115.700 0.152 0.000 2.481 59 S HA 0.421 4.891 4.470 -0.001 0.000 0.231 59 S C 1.564 176.214 174.600 0.083 0.000 0.996 59 S CA 0.926 59.185 58.200 0.098 0.000 0.942 59 S CB -0.402 62.845 63.200 0.078 0.000 0.768 59 S HN 1.309 nan 8.310 nan 0.000 0.520 60 G N 0.092 108.960 108.800 0.114 0.000 3.638 60 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.196 60 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.196 60 G C 0.027 174.994 174.900 0.113 0.000 1.315 60 G CA -0.188 44.967 45.100 0.092 0.000 0.944 60 G HN 0.813 nan 8.290 nan 0.000 0.434 61 V N 2.753 122.725 119.914 0.096 0.000 2.843 61 V HA 0.525 4.645 4.120 -0.001 0.000 0.305 61 V C 0.545 176.769 176.094 0.217 0.000 1.065 61 V CA 0.308 62.662 62.300 0.090 0.000 1.116 61 V CB 1.112 32.908 31.823 -0.045 0.000 0.968 61 V HN 0.410 nan 8.190 nan 0.000 0.487 62 K N 3.673 124.225 120.400 0.252 0.000 2.132 62 K HA 0.795 5.115 4.320 -0.001 0.000 0.241 62 K C -0.023 176.829 176.600 0.419 0.000 1.000 62 K CA 0.006 56.517 56.287 0.373 0.000 0.911 62 K CB 1.664 34.371 32.500 0.345 0.000 1.093 62 K HN 0.962 nan 8.250 nan 0.000 0.460 63 G N 0.266 109.330 108.800 0.440 0.000 2.623 63 G HA2 0.490 4.449 3.960 -0.001 0.000 0.290 63 G HA3 0.490 4.449 3.960 -0.001 0.000 0.290 63 G C -1.877 173.110 174.900 0.145 0.000 1.437 63 G CA -0.716 44.475 45.100 0.151 0.000 0.798 63 G HN 0.430 nan 8.290 nan 0.000 0.488 64 M N 1.082 120.629 119.600 -0.089 0.000 2.326 64 M HA 0.656 5.136 4.480 -0.001 0.000 0.306 64 M C -0.194 176.109 176.300 0.005 0.000 1.054 64 M CA -0.896 54.424 55.300 0.034 0.000 0.922 64 M CB 1.999 34.602 32.600 0.005 0.000 1.632 64 M HN 0.780 nan 8.290 nan 0.000 0.436 65 A N 5.588 128.430 122.820 0.037 0.000 2.376 65 A HA 0.428 4.748 4.320 -0.001 0.000 0.298 65 A C 0.129 177.718 177.584 0.009 0.000 1.271 65 A CA -0.335 51.711 52.037 0.015 0.000 0.926 65 A CB -0.219 18.787 19.000 0.010 0.000 1.141 65 A HN 1.063 nan 8.150 nan 0.000 0.539 66 L N 1.517 122.736 121.223 -0.007 0.000 2.467 66 L HA 0.163 4.502 4.340 -0.001 0.000 0.213 66 L C 0.056 176.925 176.870 -0.002 0.000 1.053 66 L CA 0.191 55.026 54.840 -0.008 0.000 0.847 66 L CB 0.082 42.120 42.059 -0.035 0.000 1.075 66 L HN 0.533 nan 8.230 nan 0.000 0.479 67 N N 1.233 119.930 118.700 -0.006 0.000 2.511 67 N HA 0.367 5.106 4.740 -0.001 0.000 0.249 67 N C -0.966 174.543 175.510 -0.002 0.000 0.971 67 N CA -0.032 53.017 53.050 -0.002 0.000 0.938 67 N CB 1.334 39.818 38.487 -0.005 0.000 1.131 67 N HN 0.023 nan 8.380 nan 0.000 0.505 68 L N 2.078 123.300 121.223 -0.002 0.000 2.259 68 L HA 0.381 4.721 4.340 -0.001 0.000 0.288 68 L C 0.597 177.464 176.870 -0.006 0.000 1.051 68 L CA -0.249 54.587 54.840 -0.008 0.000 0.824 68 L CB 0.496 42.549 42.059 -0.010 0.000 1.206 68 L HN 0.312 nan 8.230 nan 0.000 0.429 69 E N 3.395 123.592 120.200 -0.005 0.000 2.264 69 E HA 0.332 4.682 4.350 -0.001 0.000 0.260 69 E C -1.656 174.943 176.600 -0.002 0.000 0.961 69 E CA -1.742 54.659 56.400 0.001 0.000 0.834 69 E CB 1.476 31.182 29.700 0.009 0.000 1.230 69 E HN 0.297 nan 8.360 nan 0.000 0.412 70 P HA -0.132 nan 4.420 nan 0.000 0.215 70 P C 0.984 178.291 177.300 0.012 0.000 1.157 70 P CA 1.224 64.327 63.100 0.004 0.000 0.868 70 P CB 0.124 31.832 31.700 0.013 0.000 0.788 71 G N -2.006 106.817 108.800 0.039 0.000 2.939 71 G HA2 0.103 4.062 3.960 -0.001 0.000 0.210 71 G HA3 0.103 4.062 3.960 -0.001 0.000 0.210 71 G C 0.308 175.271 174.900 0.105 0.000 1.160 71 G CA 0.069 45.223 45.100 0.089 0.000 0.770 71 G HN 0.470 nan 8.290 nan 0.000 0.543 72 Q N -1.882 117.945 119.800 0.045 0.000 2.804 72 Q HA 0.603 4.942 4.340 -0.001 0.000 0.302 72 Q C -2.137 173.869 176.000 0.011 0.000 0.885 72 Q CA -0.987 54.847 55.803 0.052 0.000 0.759 72 Q CB 1.796 30.588 28.738 0.090 0.000 1.465 72 Q HN -0.071 nan 8.270 nan 0.000 0.432 73 V N 0.330 120.253 119.914 0.015 0.000 2.577 73 V HA 0.716 4.836 4.120 -0.001 0.000 0.303 73 V C -0.130 175.976 176.094 0.020 0.000 1.042 73 V CA -0.276 62.026 62.300 0.003 0.000 0.872 73 V CB 1.766 33.578 31.823 -0.018 0.000 0.998 73 V HN 0.853 nan 8.190 nan 0.000 0.423 74 G N 4.982 113.789 108.800 0.012 0.000 2.320 74 G HA2 0.695 4.654 3.960 -0.001 0.000 0.300 74 G HA3 0.695 4.654 3.960 -0.001 0.000 0.300 74 G C -0.732 174.173 174.900 0.009 0.000 1.126 74 G CA -0.272 44.835 45.100 0.012 0.000 0.896 74 G HN 0.589 nan 8.290 nan 0.000 0.436 75 I N 2.499 123.086 120.570 0.028 0.000 2.498 75 I HA 0.280 4.449 4.170 -0.001 0.000 0.290 75 I C -0.088 176.021 176.117 -0.014 0.000 1.032 75 I CA -1.178 60.144 61.300 0.037 0.000 1.073 75 I CB 2.392 40.478 38.000 0.144 0.000 1.251 75 I HN 0.355 nan 8.210 nan 0.000 0.426 76 V N 5.477 125.329 119.914 -0.103 0.000 2.394 76 V HA 0.551 4.671 4.120 -0.001 0.000 0.282 76 V C -0.196 175.700 176.094 -0.330 0.000 1.031 76 V CA -0.715 61.469 62.300 -0.194 0.000 0.881 76 V CB 1.165 32.853 31.823 -0.226 0.000 0.982 76 V HN 0.505 nan 8.190 nan 0.000 0.451 77 L N 4.160 125.220 121.223 -0.272 0.000 2.371 77 L HA 0.432 4.771 4.340 -0.001 0.000 0.272 77 L C 0.152 176.835 176.870 -0.310 0.000 1.124 77 L CA -0.297 54.375 54.840 -0.279 0.000 0.816 77 L CB 0.524 42.439 42.059 -0.240 0.000 1.129 77 L HN 0.584 nan 8.230 nan 0.000 0.448 78 F N 1.547 121.517 119.950 0.033 0.000 2.843 78 F HA 0.411 4.937 4.527 -0.001 0.000 0.290 78 F C 1.089 176.902 175.800 0.022 0.000 1.221 78 F CA -0.161 57.866 58.000 0.044 0.000 1.413 78 F CB -0.218 38.822 39.000 0.066 0.000 1.019 78 F HN 0.598 nan 8.300 nan 0.000 0.512 79 G N -1.211 107.652 108.800 0.105 0.000 2.393 79 G HA2 0.265 4.225 3.960 -0.001 0.000 0.264 79 G HA3 0.265 4.225 3.960 -0.001 0.000 0.264 79 G C -1.083 173.816 174.900 -0.001 0.000 1.221 79 G CA -0.604 44.534 45.100 0.063 0.000 0.912 79 G HN 0.007 nan 8.290 nan 0.000 0.483 80 S N -0.443 115.250 115.700 -0.012 0.000 2.600 80 S HA 0.402 4.872 4.470 -0.001 0.000 0.265 80 S C 0.661 175.212 174.600 -0.081 0.000 1.325 80 S CA 0.820 58.999 58.200 -0.034 0.000 1.002 80 S CB 0.936 64.124 63.200 -0.020 0.000 0.921 80 S HN 0.764 nan 8.310 nan 0.000 0.554 81 D N 0.833 121.181 120.400 -0.087 0.000 2.500 81 D HA 0.023 4.662 4.640 -0.001 0.000 0.217 81 D C 1.358 177.604 176.300 -0.090 0.000 1.159 81 D CA -0.209 53.715 54.000 -0.127 0.000 0.828 81 D CB -0.291 40.433 40.800 -0.127 0.000 1.039 81 D HN 0.691 nan 8.370 nan 0.000 0.512 82 R N 0.439 120.904 120.500 -0.058 0.000 2.193 82 R HA 0.033 4.372 4.340 -0.001 0.000 0.229 82 R C 1.586 177.866 176.300 -0.033 0.000 1.110 82 R CA 0.725 56.803 56.100 -0.037 0.000 0.988 82 R CB -0.468 29.818 30.300 -0.023 0.000 0.871 82 R HN 0.196 nan 8.270 nan 0.000 0.458 83 L N 1.122 122.319 121.223 -0.043 0.000 2.590 83 L HA 0.226 4.566 4.340 -0.001 0.000 0.227 83 L C 0.052 176.907 176.870 -0.024 0.000 1.099 83 L CA -0.275 54.550 54.840 -0.025 0.000 0.872 83 L CB 0.914 42.963 42.059 -0.016 0.000 1.088 83 L HN -0.044 nan 8.230 nan 0.000 0.479 84 V N 0.878 120.755 119.914 -0.062 0.000 2.607 84 V HA 0.204 4.323 4.120 -0.001 0.000 0.289 84 V C -0.038 176.051 176.094 -0.008 0.000 1.053 84 V CA -0.250 62.021 62.300 -0.048 0.000 0.996 84 V CB 1.371 33.087 31.823 -0.178 0.000 0.995 84 V HN 0.195 nan 8.190 nan 0.000 0.476 85 K N 1.890 122.311 120.400 0.035 0.000 2.480 85 K HA 0.438 4.757 4.320 -0.001 0.000 0.258 85 K C -0.623 176.009 176.600 0.054 0.000 0.990 85 K CA -0.931 55.376 56.287 0.033 0.000 0.857 85 K CB 2.251 34.768 32.500 0.028 0.000 1.384 85 K HN 0.723 nan 8.250 nan 0.000 0.446 86 E N 0.270 120.493 120.200 0.039 0.000 2.452 86 E HA 0.014 4.364 4.350 -0.001 0.000 0.261 86 E C 0.484 177.109 176.600 0.042 0.000 0.987 86 E CA 1.410 57.834 56.400 0.040 0.000 0.926 86 E CB 0.210 29.922 29.700 0.020 0.000 0.934 86 E HN 0.760 nan 8.360 nan 0.000 0.452 87 G N 3.800 112.630 108.800 0.051 0.000 2.234 87 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.235 87 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.235 87 G C 0.246 175.182 174.900 0.060 0.000 0.997 87 G CA 0.261 45.388 45.100 0.045 0.000 0.623 87 G HN 0.663 nan 8.290 nan 0.000 0.514 88 E N 0.709 120.958 120.200 0.082 0.000 2.452 88 E HA 0.342 4.692 4.350 -0.001 0.000 0.261 88 E C 0.731 177.380 176.600 0.081 0.000 0.987 88 E CA -0.426 56.033 56.400 0.100 0.000 0.926 88 E CB 0.314 30.110 29.700 0.160 0.000 0.934 88 E HN 0.496 nan 8.360 nan 0.000 0.452 89 L N 4.750 126.003 121.223 0.051 0.000 2.426 89 L HA 0.227 4.567 4.340 -0.001 0.000 0.271 89 L C -1.075 175.753 176.870 -0.070 0.000 1.169 89 L CA -0.365 54.476 54.840 0.003 0.000 0.836 89 L CB 0.744 42.807 42.059 0.006 0.000 1.112 89 L HN 0.350 nan 8.230 nan 0.000 0.465 90 V N 4.895 124.711 119.914 -0.164 0.000 2.656 90 V HA 0.485 4.605 4.120 -0.001 0.000 0.307 90 V C -0.463 175.491 176.094 -0.233 0.000 1.051 90 V CA -0.873 61.204 62.300 -0.371 0.000 0.893 90 V CB 1.811 33.283 31.823 -0.584 0.000 0.999 90 V HN 0.683 nan 8.190 nan 0.000 0.426 91 K N 3.203 123.474 120.400 -0.216 0.000 2.397 91 K HA 0.571 4.891 4.320 -0.001 0.000 0.253 91 K C -0.235 176.308 176.600 -0.094 0.000 0.932 91 K CA -0.814 55.404 56.287 -0.115 0.000 0.795 91 K CB 1.849 34.309 32.500 -0.066 0.000 1.159 91 K HN 0.660 nan 8.250 nan 0.000 0.424 92 R N 0.864 121.323 120.500 -0.068 0.000 2.827 92 R HA 0.039 4.378 4.340 -0.001 0.000 0.269 92 R C 0.466 176.753 176.300 -0.022 0.000 1.048 92 R CA 0.430 56.504 56.100 -0.044 0.000 1.173 92 R CB 0.459 30.737 30.300 -0.037 0.000 1.070 92 R HN 0.623 nan 8.270 nan 0.000 0.498 93 T N -0.528 114.022 114.554 -0.006 0.000 2.958 93 T HA 0.137 4.486 4.350 -0.001 0.000 0.256 93 T C 1.002 175.704 174.700 0.003 0.000 0.983 93 T CA 0.399 62.502 62.100 0.005 0.000 0.924 93 T CB 0.680 69.561 68.868 0.021 0.000 1.136 93 T HN 0.903 nan 8.240 nan 0.000 0.506 94 G N 2.525 111.325 108.800 0.000 0.000 2.187 94 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.261 94 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.261 94 G C -0.172 174.732 174.900 0.007 0.000 1.000 94 G CA 0.265 45.365 45.100 0.000 0.000 0.718 94 G HN 0.580 nan 8.290 nan 0.000 0.519 95 N N -0.071 118.637 118.700 0.014 0.000 2.342 95 N HA 0.581 5.320 4.740 -0.001 0.000 0.293 95 N C 0.169 175.696 175.510 0.029 0.000 1.026 95 N CA -1.152 51.909 53.050 0.018 0.000 0.857 95 N CB 1.318 39.815 38.487 0.017 0.000 1.256 95 N HN -0.001 nan 8.380 nan 0.000 0.484 96 I N 1.860 122.445 120.570 0.026 0.000 2.648 96 I HA 0.004 4.173 4.170 -0.001 0.000 0.284 96 I C 0.594 176.735 176.117 0.040 0.000 1.153 96 I CA -0.350 60.971 61.300 0.034 0.000 1.426 96 I CB 0.226 38.239 38.000 0.022 0.000 1.381 96 I HN 0.306 nan 8.210 nan 0.000 0.571 97 V N 7.055 127.008 119.914 0.065 0.000 2.555 97 V HA -0.103 4.017 4.120 -0.001 0.000 0.299 97 V C 0.435 176.543 176.094 0.023 0.000 1.012 97 V CA 0.302 62.638 62.300 0.060 0.000 1.180 97 V CB -0.847 31.049 31.823 0.121 0.000 0.887 97 V HN 0.894 nan 8.190 nan 0.000 0.476 98 D N 4.749 125.149 120.400 0.001 0.000 2.689 98 D HA 0.797 5.437 4.640 -0.001 0.000 0.255 98 D C -0.387 175.899 176.300 -0.023 0.000 1.113 98 D CA -0.609 53.388 54.000 -0.004 0.000 1.115 98 D CB 2.043 42.843 40.800 -0.000 0.000 1.334 98 D HN 0.476 nan 8.370 nan 0.000 0.621 99 V N -5.768 114.135 119.914 -0.018 0.000 3.178 99 V HA 0.638 4.757 4.120 -0.001 0.000 0.302 99 V C -2.962 173.114 176.094 -0.031 0.000 1.262 99 V CA -2.072 60.209 62.300 -0.030 0.000 1.030 99 V CB 1.734 33.542 31.823 -0.024 0.000 1.074 99 V HN 0.617 nan 8.190 nan 0.000 0.438 100 P HA 0.377 nan 4.420 nan 0.000 0.271 100 P C -0.551 176.698 177.300 -0.085 0.000 1.218 100 P CA 0.142 63.203 63.100 -0.065 0.000 0.780 100 P CB 1.478 33.135 31.700 -0.072 0.000 0.901 101 V N -1.359 118.477 119.914 -0.129 0.000 3.078 101 V HA 1.018 5.137 4.120 -0.001 0.000 0.311 101 V C -0.129 175.683 176.094 -0.471 0.000 1.138 101 V CA -0.363 61.813 62.300 -0.207 0.000 1.007 101 V CB 1.468 33.251 31.823 -0.068 0.000 1.045 101 V HN 1.015 nan 8.190 nan 0.000 0.432 102 G N 1.971 110.283 108.800 -0.812 0.000 2.351 102 G HA2 0.286 4.245 3.960 -0.001 0.000 0.353 102 G HA3 0.286 4.245 3.960 -0.001 0.000 0.353 102 G C -2.681 171.521 174.900 -1.163 0.000 1.358 102 G CA 0.047 44.251 45.100 -1.494 0.000 0.995 102 G HN 0.662 nan 8.290 nan 0.000 0.611 103 P HA -0.027 nan 4.420 nan 0.000 0.220 103 P C 2.041 179.163 177.300 -0.297 0.000 1.148 103 P CA 1.746 64.473 63.100 -0.621 0.000 0.803 103 P CB -0.210 31.214 31.700 -0.461 0.000 0.782 104 G N 0.551 109.158 108.800 -0.323 0.000 2.517 104 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.222 104 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.222 104 G C 1.367 176.194 174.900 -0.122 0.000 1.109 104 G CA 0.665 45.654 45.100 -0.184 0.000 0.746 104 G HN 0.239 nan 8.290 nan 0.000 0.576 105 L N 0.180 121.321 121.223 -0.136 0.000 2.376 105 L HA 0.236 4.575 4.340 -0.001 0.000 0.219 105 L C 1.332 178.211 176.870 0.015 0.000 1.133 105 L CA 0.073 54.880 54.840 -0.055 0.000 0.816 105 L CB -0.347 41.681 42.059 -0.051 0.000 0.933 105 L HN 0.118 nan 8.230 nan 0.000 0.449 106 L N 0.380 121.632 121.223 0.048 0.000 2.578 106 L HA 0.094 4.434 4.340 -0.001 0.000 0.279 106 L C 1.487 178.389 176.870 0.053 0.000 1.227 106 L CA 0.774 55.674 54.840 0.100 0.000 0.900 106 L CB -0.379 41.774 42.059 0.157 0.000 1.144 106 L HN 0.433 nan 8.230 nan 0.000 0.496 107 G N 1.865 110.690 108.800 0.042 0.000 2.148 107 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.254 107 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.254 107 G C 0.234 175.133 174.900 -0.001 0.000 0.981 107 G CA -0.303 44.800 45.100 0.005 0.000 0.670 107 G HN 0.482 nan 8.290 nan 0.000 0.528 108 R N -0.678 119.827 120.500 0.008 0.000 2.832 108 R HA 0.728 5.067 4.340 -0.001 0.000 0.271 108 R C -0.411 175.894 176.300 0.009 0.000 0.996 108 R CA -0.794 55.307 56.100 0.002 0.000 0.977 108 R CB 1.932 32.229 30.300 -0.005 0.000 1.168 108 R HN 0.209 nan 8.270 nan 0.000 0.482 109 V N 2.398 122.316 119.914 0.006 0.000 2.448 109 V HA 0.478 4.598 4.120 -0.001 0.000 0.295 109 V C 0.111 176.212 176.094 0.012 0.000 1.025 109 V CA -0.739 61.569 62.300 0.014 0.000 0.859 109 V CB 1.624 33.454 31.823 0.012 0.000 0.988 109 V HN 0.622 nan 8.190 nan 0.000 0.431 110 V N 1.160 121.084 119.914 0.017 0.000 3.141 110 V HA 0.836 4.956 4.120 -0.001 0.000 0.312 110 V C -0.639 175.463 176.094 0.013 0.000 1.157 110 V CA -0.832 61.473 62.300 0.008 0.000 1.041 110 V CB 2.228 34.050 31.823 -0.001 0.000 1.071 110 V HN 0.784 nan 8.190 nan 0.000 0.441 111 D N 1.289 121.691 120.400 0.004 0.000 2.539 111 D HA 0.547 5.186 4.640 -0.001 0.000 0.276 111 D C 1.197 177.494 176.300 -0.005 0.000 1.206 111 D CA -0.033 53.971 54.000 0.007 0.000 1.081 111 D CB 1.331 42.135 40.800 0.007 0.000 1.142 111 D HN 0.849 nan 8.370 nan 0.000 0.595 112 A N -0.622 122.195 122.820 -0.004 0.000 2.024 112 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 112 A C 2.190 179.732 177.584 -0.070 0.000 1.164 112 A CA 1.052 53.080 52.037 -0.015 0.000 0.643 112 A CB -0.820 18.192 19.000 0.020 0.000 0.806 112 A HN 0.506 nan 8.150 nan 0.000 0.451 113 L N -1.573 119.583 121.223 -0.113 0.000 2.628 113 L HA 0.280 4.620 4.340 -0.001 0.000 0.229 113 L C 1.628 178.446 176.870 -0.087 0.000 1.137 113 L CA 0.547 55.295 54.840 -0.152 0.000 0.909 113 L CB 0.161 42.081 42.059 -0.231 0.000 1.137 113 L HN 0.544 nan 8.230 nan 0.000 0.470 114 G N -0.640 108.127 108.800 -0.054 0.000 2.176 114 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.253 114 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.253 114 G C 0.185 175.064 174.900 -0.035 0.000 0.979 114 G CA -0.302 44.774 45.100 -0.040 0.000 0.641 114 G HN 0.366 nan 8.290 nan 0.000 0.530 115 N N 2.670 121.349 118.700 -0.035 0.000 2.454 115 N HA 0.298 5.037 4.740 -0.001 0.000 0.260 115 N C -2.328 173.173 175.510 -0.015 0.000 1.218 115 N CA -0.485 52.551 53.050 -0.024 0.000 0.904 115 N CB 0.964 39.439 38.487 -0.020 0.000 1.065 115 N HN 0.276 nan 8.380 nan 0.000 0.462 116 P HA 0.063 nan 4.420 nan 0.000 0.267 116 P C 0.455 177.753 177.300 -0.003 0.000 1.205 116 P CA 0.044 63.138 63.100 -0.009 0.000 0.765 116 P CB 0.454 32.147 31.700 -0.012 0.000 0.828 117 I N -0.267 120.304 120.570 0.001 0.000 4.147 117 I HA 0.198 4.367 4.170 -0.001 0.000 0.329 117 I C 0.639 176.759 176.117 0.004 0.000 1.424 117 I CA -0.176 61.127 61.300 0.006 0.000 1.127 117 I CB -0.060 37.947 38.000 0.012 0.000 1.128 117 I HN 0.019 nan 8.210 nan 0.000 0.417 118 D N 1.310 121.711 120.400 0.001 0.000 2.340 118 D HA 0.117 4.757 4.640 -0.001 0.000 0.220 118 D C 1.664 177.961 176.300 -0.004 0.000 1.039 118 D CA 0.552 54.551 54.000 -0.002 0.000 0.866 118 D CB -0.153 40.644 40.800 -0.005 0.000 0.913 118 D HN 0.420 nan 8.370 nan 0.000 0.523 119 G N 0.943 109.741 108.800 -0.003 0.000 2.221 119 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.265 119 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.265 119 G C 0.542 175.439 174.900 -0.006 0.000 1.041 119 G CA 0.414 45.511 45.100 -0.004 0.000 0.807 119 G HN 0.473 nan 8.290 nan 0.000 0.502 120 K N -0.084 120.311 120.400 -0.008 0.000 2.455 120 K HA 0.479 4.798 4.320 -0.001 0.000 0.206 120 K C 1.312 177.906 176.600 -0.011 0.000 1.027 120 K CA 0.167 56.449 56.287 -0.010 0.000 1.113 120 K CB 0.760 33.254 32.500 -0.011 0.000 0.850 120 K HN 1.443 nan 8.250 nan 0.000 0.503 121 G N 2.427 111.221 108.800 -0.010 0.000 2.660 121 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.247 121 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.247 121 G C -2.807 172.084 174.900 -0.016 0.000 1.328 121 G CA -1.280 43.813 45.100 -0.012 0.000 0.884 121 G HN 0.005 nan 8.290 nan 0.000 0.531 122 P HA 0.402 nan 4.420 nan 0.000 0.268 122 P C 0.352 177.634 177.300 -0.030 0.000 1.205 122 P CA -0.421 62.666 63.100 -0.022 0.000 0.771 122 P CB 0.412 32.099 31.700 -0.022 0.000 0.858 123 I N 2.826 123.374 120.570 -0.036 0.000 2.496 123 I HA 0.066 4.236 4.170 -0.001 0.000 0.285 123 I C 0.414 176.495 176.117 -0.061 0.000 1.080 123 I CA 0.070 61.340 61.300 -0.050 0.000 1.404 123 I CB 0.039 38.007 38.000 -0.054 0.000 1.403 123 I HN 0.260 nan 8.210 nan 0.000 0.539 124 D N 5.531 125.888 120.400 -0.072 0.000 2.325 124 D HA 0.419 5.058 4.640 -0.001 0.000 0.251 124 D C 0.191 176.416 176.300 -0.125 0.000 1.196 124 D CA 0.122 54.071 54.000 -0.085 0.000 0.866 124 D CB 1.135 41.886 40.800 -0.081 0.000 1.101 124 D HN 0.629 nan 8.370 nan 0.000 0.476 125 A N 1.872 124.621 122.820 -0.118 0.000 2.303 125 A HA 0.636 4.955 4.320 -0.001 0.000 0.317 125 A C 1.013 178.499 177.584 -0.162 0.000 1.149 125 A CA -0.355 51.588 52.037 -0.157 0.000 0.822 125 A CB 1.345 20.274 19.000 -0.118 0.000 1.131 125 A HN 0.544 nan 8.150 nan 0.000 0.493 126 A N 1.444 124.121 122.820 -0.239 0.000 1.975 126 A HA 0.507 4.827 4.320 -0.001 0.000 0.215 126 A C 1.166 178.713 177.584 -0.062 0.000 1.170 126 A CA 1.640 53.576 52.037 -0.169 0.000 0.656 126 A CB -0.328 18.511 19.000 -0.269 0.000 0.821 126 A HN 2.059 nan 8.150 nan 0.000 0.449 127 G N -1.532 107.228 108.800 -0.067 0.000 2.490 127 G HA2 0.528 4.487 3.960 -0.001 0.000 0.308 127 G HA3 0.528 4.487 3.960 -0.001 0.000 0.308 127 G C -1.418 173.466 174.900 -0.027 0.000 1.286 127 G CA -0.962 44.127 45.100 -0.018 0.000 0.825 127 G HN 0.211 nan 8.290 nan 0.000 0.479 128 R N -0.325 120.171 120.500 -0.006 0.000 2.599 128 R HA 0.728 5.067 4.340 -0.001 0.000 0.295 128 R C -1.050 175.256 176.300 0.011 0.000 0.963 128 R CA -0.594 55.502 56.100 -0.007 0.000 0.883 128 R CB 2.207 32.501 30.300 -0.011 0.000 1.171 128 R HN 0.403 nan 8.270 nan 0.000 0.450 129 S N 1.529 117.237 115.700 0.014 0.000 2.513 129 S HA 0.420 4.890 4.470 -0.001 0.000 0.299 129 S C -0.308 174.303 174.600 0.018 0.000 1.087 129 S CA -0.835 57.380 58.200 0.025 0.000 1.012 129 S CB 1.756 64.981 63.200 0.042 0.000 1.044 129 S HN 0.392 nan 8.310 nan 0.000 0.485 130 R N 0.892 121.402 120.500 0.017 0.000 2.734 130 R HA 0.176 4.516 4.340 -0.001 0.000 0.266 130 R C 1.423 177.733 176.300 0.018 0.000 1.044 130 R CA 0.181 56.289 56.100 0.012 0.000 1.128 130 R CB 0.191 30.495 30.300 0.006 0.000 1.010 130 R HN 0.797 nan 8.270 nan 0.000 0.461 131 A N 2.735 125.565 122.820 0.015 0.000 1.877 131 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 131 A C 0.541 178.125 177.584 -0.000 0.000 1.186 131 A CA 1.249 53.304 52.037 0.030 0.000 0.620 131 A CB 0.065 19.086 19.000 0.035 0.000 0.822 131 A HN 0.549 nan 8.150 nan 0.000 0.443 132 Q N 0.228 119.984 119.800 -0.074 0.000 2.340 132 Q HA 0.515 4.855 4.340 -0.001 0.000 0.259 132 Q C -1.439 174.528 176.000 -0.056 0.000 0.964 132 Q CA -0.050 55.668 55.803 -0.143 0.000 0.900 132 Q CB 1.583 30.185 28.738 -0.227 0.000 1.228 132 Q HN 0.171 nan 8.270 nan 0.000 0.449 133 V N 3.065 122.965 119.914 -0.024 0.000 2.588 133 V HA 0.281 4.400 4.120 -0.001 0.000 0.304 133 V C 0.053 176.150 176.094 0.005 0.000 1.042 133 V CA -1.062 61.239 62.300 0.001 0.000 0.877 133 V CB 2.134 33.970 31.823 0.022 0.000 0.996 133 V HN 0.622 nan 8.190 nan 0.000 0.425 134 K N 2.786 123.192 120.400 0.009 0.000 2.524 134 K HA 0.303 4.622 4.320 -0.001 0.000 0.279 134 K C 0.507 177.121 176.600 0.023 0.000 0.993 134 K CA 0.209 56.508 56.287 0.020 0.000 1.030 134 K CB 0.515 33.028 32.500 0.023 0.000 0.891 134 K HN 0.866 nan 8.250 nan 0.000 0.488 135 A N 4.908 127.745 122.820 0.028 0.000 2.366 135 A HA 0.239 4.558 4.320 -0.001 0.000 0.249 135 A C -2.056 175.544 177.584 0.026 0.000 1.084 135 A CA -1.220 50.834 52.037 0.029 0.000 0.794 135 A CB -0.355 18.664 19.000 0.032 0.000 1.034 135 A HN 0.459 nan 8.150 nan 0.000 0.491 136 P HA 0.187 nan 4.420 nan 0.000 0.263 136 P C 0.750 178.064 177.300 0.023 0.000 1.195 136 P CA 0.712 63.824 63.100 0.019 0.000 0.762 136 P CB 0.486 32.196 31.700 0.018 0.000 0.799 137 G N 1.986 110.798 108.800 0.020 0.000 2.447 137 G HA2 0.015 3.975 3.960 -0.001 0.000 0.269 137 G HA3 0.015 3.975 3.960 -0.001 0.000 0.269 137 G C 1.002 175.915 174.900 0.022 0.000 1.455 137 G CA -0.337 44.777 45.100 0.022 0.000 1.061 137 G HN 0.362 nan 8.290 nan 0.000 0.545 138 I N -0.930 119.652 120.570 0.021 0.000 2.353 138 I HA -0.011 4.159 4.170 -0.001 0.000 0.248 138 I C 2.485 178.611 176.117 0.015 0.000 1.119 138 I CA 0.541 61.853 61.300 0.019 0.000 1.417 138 I CB -0.224 37.787 38.000 0.019 0.000 1.078 138 I HN 0.268 nan 8.210 nan 0.000 0.421 139 L N 1.456 122.686 121.223 0.012 0.000 2.068 139 L HA 0.061 4.401 4.340 -0.001 0.000 0.204 139 L C -0.889 175.985 176.870 0.007 0.000 1.076 139 L CA 1.438 56.283 54.840 0.008 0.000 0.753 139 L CB -1.394 40.669 42.059 0.006 0.000 0.910 139 L HN 0.141 nan 8.230 nan 0.000 0.439 140 P HA 0.056 nan 4.420 nan 0.000 0.246 140 P C -0.746 176.560 177.300 0.009 0.000 1.686 140 P CA 0.355 63.457 63.100 0.004 0.000 0.867 140 P CB -0.217 31.483 31.700 0.001 0.000 1.733 141 R N 0.088 120.595 120.500 0.013 0.000 2.836 141 R HA 0.692 5.032 4.340 -0.001 0.000 0.269 141 R C -0.165 176.147 176.300 0.021 0.000 1.010 141 R CA -0.915 55.197 56.100 0.020 0.000 0.930 141 R CB 2.639 32.953 30.300 0.024 0.000 1.218 141 R HN 0.031 nan 8.270 nan 0.000 0.473 142 R N 0.133 120.653 120.500 0.032 0.000 2.740 142 R HA 0.387 4.726 4.340 -0.001 0.000 0.273 142 R C -1.125 175.204 176.300 0.048 0.000 0.998 142 R CA -0.563 55.554 56.100 0.029 0.000 0.900 142 R CB 2.126 32.442 30.300 0.027 0.000 1.223 142 R HN 0.638 nan 8.270 nan 0.000 0.466 143 S N 1.204 116.925 115.700 0.034 0.000 2.558 143 S HA 0.039 4.508 4.470 -0.001 0.000 0.288 143 S C 0.085 174.755 174.600 0.118 0.000 1.318 143 S CA -0.408 57.823 58.200 0.052 0.000 1.056 143 S CB 0.789 64.004 63.200 0.026 0.000 0.853 143 S HN 0.348 nan 8.310 nan 0.000 0.505 144 V N 5.191 125.161 119.914 0.094 0.000 2.585 144 V HA 0.088 4.207 4.120 -0.001 0.000 0.296 144 V C 1.228 177.401 176.094 0.131 0.000 1.035 144 V CA 0.512 62.866 62.300 0.090 0.000 1.084 144 V CB 0.059 31.902 31.823 0.034 0.000 0.953 144 V HN 1.085 nan 8.190 nan 0.000 0.483 145 H N 2.288 121.338 119.070 -0.033 0.000 3.474 145 H HA 0.385 4.940 4.556 -0.001 0.000 0.259 145 H C -0.216 175.073 175.328 -0.066 0.000 1.164 145 H CA -0.465 55.560 56.048 -0.040 0.000 1.078 145 H CB 0.509 30.255 29.762 -0.028 0.000 1.957 145 H HN 0.626 nan 8.280 nan 0.000 0.765 146 E N 2.488 122.431 120.200 -0.428 0.000 2.234 146 E HA 0.382 4.732 4.350 -0.001 0.000 0.266 146 E C -2.969 173.450 176.600 -0.302 0.000 0.877 146 E CA -2.187 53.948 56.400 -0.441 0.000 0.758 146 E CB 2.713 32.063 29.700 -0.583 0.000 1.170 146 E HN 0.119 nan 8.360 nan 0.000 0.415 147 P HA -0.018 nan 4.420 nan 0.000 0.268 147 P C -0.786 176.343 177.300 -0.286 0.000 1.204 147 P CA -0.144 62.821 63.100 -0.225 0.000 0.768 147 P CB 0.547 32.128 31.700 -0.199 0.000 0.842 148 V N 5.122 124.909 119.914 -0.212 0.000 2.304 148 V HA 0.123 4.243 4.120 -0.001 0.000 0.269 148 V C 0.479 176.478 176.094 -0.160 0.000 1.036 148 V CA -0.200 61.970 62.300 -0.217 0.000 0.840 148 V CB 0.218 31.953 31.823 -0.146 0.000 1.036 148 V HN 0.480 nan 8.190 nan 0.000 0.466 149 Q N 2.499 122.180 119.800 -0.197 0.000 2.323 149 Q HA 0.145 4.484 4.340 -0.001 0.000 0.257 149 Q C 1.308 177.324 176.000 0.027 0.000 1.022 149 Q CA 0.091 55.864 55.803 -0.051 0.000 0.919 149 Q CB 1.028 29.791 28.738 0.041 0.000 1.220 149 Q HN 0.927 nan 8.270 nan 0.000 0.427 150 T N -1.189 113.378 114.554 0.021 0.000 3.043 150 T HA 0.075 4.425 4.350 -0.001 0.000 0.263 150 T C 1.439 176.169 174.700 0.050 0.000 1.094 150 T CA 0.455 62.573 62.100 0.030 0.000 1.127 150 T CB 0.037 68.912 68.868 0.011 0.000 0.905 150 T HN 0.870 nan 8.240 nan 0.000 0.490 151 G N 1.312 110.150 108.800 0.063 0.000 2.168 151 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.263 151 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.263 151 G C -0.056 174.862 174.900 0.030 0.000 0.977 151 G CA 0.345 45.477 45.100 0.055 0.000 0.659 151 G HN 0.642 nan 8.290 nan 0.000 0.533 152 L N 0.133 121.370 121.223 0.023 0.000 2.257 152 L HA 0.380 4.720 4.340 -0.001 0.000 0.290 152 L C 1.744 178.626 176.870 0.020 0.000 1.044 152 L CA -0.807 54.041 54.840 0.014 0.000 0.810 152 L CB 1.180 43.243 42.059 0.007 0.000 1.193 152 L HN 0.052 nan 8.230 nan 0.000 0.425 153 K N 2.389 122.802 120.400 0.022 0.000 2.059 153 K HA -0.256 4.063 4.320 -0.001 0.000 0.212 153 K C 1.963 178.580 176.600 0.027 0.000 1.050 153 K CA 1.915 58.218 56.287 0.028 0.000 0.927 153 K CB -0.133 32.386 32.500 0.031 0.000 0.714 153 K HN 0.811 nan 8.250 nan 0.000 0.447 154 A N 0.810 123.645 122.820 0.025 0.000 1.898 154 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 154 A C 2.391 179.993 177.584 0.031 0.000 1.181 154 A CA 1.291 53.346 52.037 0.029 0.000 0.620 154 A CB -0.513 18.505 19.000 0.029 0.000 0.819 154 A HN 0.072 nan 8.150 nan 0.000 0.442 155 V N 0.615 120.544 119.914 0.026 0.000 2.244 155 V HA -0.216 3.903 4.120 -0.001 0.000 0.244 155 V C 2.124 178.230 176.094 0.021 0.000 1.042 155 V CA 2.286 64.600 62.300 0.023 0.000 1.006 155 V CB -0.876 30.956 31.823 0.016 0.000 0.641 155 V HN 0.462 nan 8.190 nan 0.000 0.446 156 D N 0.155 120.566 120.400 0.019 0.000 2.218 156 D HA -0.091 4.549 4.640 -0.001 0.000 0.204 156 D C 1.962 178.274 176.300 0.020 0.000 0.976 156 D CA 1.516 55.525 54.000 0.016 0.000 0.853 156 D CB -0.126 40.687 40.800 0.021 0.000 0.939 156 D HN 0.471 nan 8.370 nan 0.000 0.481 157 A N -0.544 122.292 122.820 0.026 0.000 1.956 157 A HA 0.134 4.453 4.320 -0.001 0.000 0.212 157 A C 2.110 179.713 177.584 0.032 0.000 1.188 157 A CA 0.326 52.381 52.037 0.030 0.000 0.675 157 A CB -0.081 18.938 19.000 0.033 0.000 0.845 157 A HN 0.175 nan 8.150 nan 0.000 0.455 158 L N -0.676 120.568 121.223 0.035 0.000 2.388 158 L HA 0.140 4.480 4.340 -0.001 0.000 0.209 158 L C 0.413 177.306 176.870 0.039 0.000 1.061 158 L CA 0.497 55.361 54.840 0.041 0.000 0.834 158 L CB 0.488 42.576 42.059 0.048 0.000 1.029 158 L HN 0.240 nan 8.230 nan 0.000 0.473 159 V N -2.613 117.321 119.914 0.034 0.000 2.468 159 V HA 0.418 4.537 4.120 -0.001 0.000 0.256 159 V C -2.789 173.316 176.094 0.018 0.000 0.998 159 V CA -1.825 60.494 62.300 0.031 0.000 1.114 159 V CB -0.102 31.745 31.823 0.040 0.000 1.378 159 V HN -0.093 nan 8.190 nan 0.000 0.573 160 P HA 0.370 nan 4.420 nan 0.000 0.268 160 P C -0.207 177.086 177.300 -0.010 0.000 1.204 160 P CA 0.398 63.497 63.100 -0.002 0.000 0.768 160 P CB 1.209 32.907 31.700 -0.004 0.000 0.842 161 I N 2.097 122.652 120.570 -0.024 0.000 2.392 161 I HA 0.495 4.665 4.170 -0.001 0.000 0.295 161 I C 1.117 177.198 176.117 -0.060 0.000 0.985 161 I CA -0.319 60.961 61.300 -0.033 0.000 1.221 161 I CB 1.740 39.721 38.000 -0.033 0.000 1.366 161 I HN 0.335 nan 8.210 nan 0.000 0.467 162 G N 4.309 113.075 108.800 -0.058 0.000 2.489 162 G HA2 0.529 4.489 3.960 -0.001 0.000 0.327 162 G HA3 0.529 4.489 3.960 -0.001 0.000 0.327 162 G C -0.608 174.237 174.900 -0.092 0.000 1.189 162 G CA -0.859 44.189 45.100 -0.087 0.000 0.962 162 G HN 0.526 nan 8.290 nan 0.000 0.486 163 R N 0.082 120.498 120.500 -0.140 0.000 2.402 163 R HA 0.408 4.747 4.340 -0.001 0.000 0.331 163 R C 1.149 177.428 176.300 -0.034 0.000 1.040 163 R CA 1.409 57.439 56.100 -0.117 0.000 0.980 163 R CB 0.328 30.491 30.300 -0.228 0.000 0.967 163 R HN 1.034 nan 8.270 nan 0.000 0.440 164 G N 1.927 110.726 108.800 -0.002 0.000 2.227 164 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.168 164 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.168 164 G C 0.014 174.925 174.900 0.019 0.000 1.006 164 G CA -0.360 44.755 45.100 0.025 0.000 0.684 164 G HN 0.555 nan 8.290 nan 0.000 0.489 165 Q N 0.330 120.132 119.800 0.005 0.000 2.260 165 Q HA 0.715 5.055 4.340 -0.001 0.000 0.238 165 Q C -0.054 175.952 176.000 0.010 0.000 0.948 165 Q CA -0.588 55.219 55.803 0.007 0.000 0.895 165 Q CB 0.547 29.283 28.738 -0.004 0.000 1.218 165 Q HN 0.386 nan 8.270 nan 0.000 0.470 166 R N 1.974 122.482 120.500 0.013 0.000 2.393 166 R HA 0.335 4.674 4.340 -0.001 0.000 0.315 166 R C -1.391 174.911 176.300 0.004 0.000 0.952 166 R CA -0.608 55.499 56.100 0.012 0.000 0.842 166 R CB 1.635 31.942 30.300 0.012 0.000 1.163 166 R HN 0.478 nan 8.270 nan 0.000 0.450 167 E N 3.042 123.240 120.200 -0.003 0.000 2.220 167 E HA 0.213 4.562 4.350 -0.001 0.000 0.256 167 E C -1.559 175.027 176.600 -0.023 0.000 0.881 167 E CA -0.891 55.504 56.400 -0.008 0.000 0.766 167 E CB 1.088 30.784 29.700 -0.007 0.000 1.187 167 E HN 0.374 nan 8.360 nan 0.000 0.419 168 L N 5.471 126.672 121.223 -0.037 0.000 2.380 168 L HA 0.474 4.813 4.340 -0.001 0.000 0.273 168 L C -0.964 175.852 176.870 -0.090 0.000 1.138 168 L CA 0.188 54.985 54.840 -0.071 0.000 0.832 168 L CB 0.449 42.454 42.059 -0.089 0.000 1.124 168 L HN 0.647 nan 8.230 nan 0.000 0.454 169 I N 6.862 127.372 120.570 -0.100 0.000 2.339 169 I HA 0.439 4.609 4.170 -0.001 0.000 0.290 169 I C -0.338 175.678 176.117 -0.168 0.000 0.994 169 I CA -0.272 60.960 61.300 -0.113 0.000 1.191 169 I CB 1.425 39.385 38.000 -0.068 0.000 1.343 169 I HN 0.598 nan 8.210 nan 0.000 0.458 170 I N 5.000 125.412 120.570 -0.262 0.000 2.722 170 I HA 0.875 5.044 4.170 -0.001 0.000 0.295 170 I C -0.591 175.324 176.117 -0.337 0.000 1.161 170 I CA -0.054 61.042 61.300 -0.340 0.000 1.032 170 I CB 2.199 39.891 38.000 -0.513 0.000 1.244 170 I HN 0.706 nan 8.210 nan 0.000 0.421 171 G N 4.756 113.440 108.800 -0.195 0.000 2.338 171 G HA2 0.196 4.155 3.960 -0.001 0.000 0.295 171 G HA3 0.196 4.155 3.960 -0.001 0.000 0.295 171 G C -1.967 172.912 174.900 -0.035 0.000 1.461 171 G CA -0.755 44.296 45.100 -0.082 0.000 0.817 171 G HN 0.511 nan 8.290 nan 0.000 0.556 172 D N 0.198 120.601 120.400 0.005 0.000 2.369 172 D HA 0.322 4.961 4.640 -0.001 0.000 0.241 172 D C 1.349 177.638 176.300 -0.018 0.000 1.271 172 D CA -0.075 53.929 54.000 0.007 0.000 0.942 172 D CB 0.450 41.266 40.800 0.027 0.000 1.129 172 D HN 0.682 nan 8.370 nan 0.000 0.476 173 R N 0.641 121.134 120.500 -0.011 0.000 2.638 173 R HA -0.052 4.287 4.340 -0.001 0.000 0.268 173 R C -0.215 176.051 176.300 -0.057 0.000 1.006 173 R CA -0.083 56.004 56.100 -0.022 0.000 1.088 173 R CB 0.064 30.362 30.300 -0.004 0.000 0.950 173 R HN 0.229 nan 8.270 nan 0.000 0.419 174 Q N 0.343 120.097 119.800 -0.077 0.000 2.452 174 Q HA -0.154 4.186 4.340 -0.001 0.000 0.318 174 Q C 0.073 175.908 176.000 -0.275 0.000 1.386 174 Q CA 1.703 57.420 55.803 -0.143 0.000 0.872 174 Q CB -1.548 27.119 28.738 -0.119 0.000 1.151 174 Q HN 1.013 nan 8.270 nan 0.000 0.417 175 T N -5.574 108.849 114.554 -0.218 0.000 3.040 175 T HA 0.464 4.813 4.350 -0.001 0.000 0.266 175 T C 1.083 175.695 174.700 -0.146 0.000 1.005 175 T CA 0.745 62.696 62.100 -0.248 0.000 0.906 175 T CB 1.194 70.001 68.868 -0.102 0.000 1.082 175 T HN 0.836 nan 8.240 nan 0.000 0.531 176 G N 1.675 110.411 108.800 -0.106 0.000 2.148 176 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.157 176 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.157 176 G C 0.679 175.569 174.900 -0.016 0.000 1.012 176 G CA 0.146 45.234 45.100 -0.021 0.000 0.677 176 G HN 0.474 nan 8.290 nan 0.000 0.506 177 K N -0.158 120.225 120.400 -0.029 0.000 2.001 177 K HA -0.029 4.290 4.320 -0.001 0.000 0.208 177 K C 2.579 179.179 176.600 -0.001 0.000 1.048 177 K CA 1.836 58.110 56.287 -0.022 0.000 0.932 177 K CB -0.352 32.126 32.500 -0.036 0.000 0.715 177 K HN 0.290 nan 8.250 nan 0.000 0.437 178 T N 1.509 116.073 114.554 0.017 0.000 2.720 178 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 178 T C 2.052 176.765 174.700 0.021 0.000 1.037 178 T CA 1.385 63.519 62.100 0.057 0.000 1.144 178 T CB -0.392 68.525 68.868 0.083 0.000 0.864 178 T HN 0.335 nan 8.240 nan 0.000 0.444 179 A N 0.844 123.652 122.820 -0.019 0.000 2.042 179 A HA -0.111 4.208 4.320 -0.001 0.000 0.222 179 A C 2.528 180.075 177.584 -0.062 0.000 1.167 179 A CA 1.526 53.519 52.037 -0.075 0.000 0.649 179 A CB -0.983 17.959 19.000 -0.097 0.000 0.809 179 A HN 0.408 nan 8.150 nan 0.000 0.457 180 V N -1.093 118.806 119.914 -0.025 0.000 2.649 180 V HA -0.069 4.050 4.120 -0.001 0.000 0.248 180 V C 2.892 178.984 176.094 -0.003 0.000 1.054 180 V CA 1.569 63.858 62.300 -0.017 0.000 1.073 180 V CB -0.665 31.153 31.823 -0.008 0.000 0.699 180 V HN 0.609 nan 8.190 nan 0.000 0.463 181 A N -0.370 122.461 122.820 0.017 0.000 1.930 181 A HA -0.072 4.248 4.320 -0.001 0.000 0.215 181 A C 2.068 179.679 177.584 0.044 0.000 1.176 181 A CA 1.361 53.423 52.037 0.042 0.000 0.632 181 A CB -0.398 18.653 19.000 0.086 0.000 0.819 181 A HN 0.409 nan 8.150 nan 0.000 0.445 182 L N 0.222 121.458 121.223 0.022 0.000 2.027 182 L HA -0.138 4.201 4.340 -0.001 0.000 0.206 182 L C 1.572 178.434 176.870 -0.012 0.000 1.074 182 L CA 2.301 57.138 54.840 -0.005 0.000 0.745 182 L CB -0.591 41.457 42.059 -0.019 0.000 0.898 182 L HN 0.328 nan 8.230 nan 0.000 0.433 183 D N -1.290 119.088 120.400 -0.037 0.000 2.178 183 D HA -0.149 4.490 4.640 -0.001 0.000 0.201 183 D C 1.999 178.303 176.300 0.006 0.000 0.980 183 D CA 1.666 55.645 54.000 -0.036 0.000 0.842 183 D CB -0.102 40.659 40.800 -0.065 0.000 0.948 183 D HN 0.381 nan 8.370 nan 0.000 0.472 184 T N 1.169 115.732 114.554 0.016 0.000 2.708 184 T HA -0.077 4.273 4.350 -0.001 0.000 0.266 184 T C 2.265 177.002 174.700 0.061 0.000 1.037 184 T CA 0.580 62.700 62.100 0.033 0.000 1.146 184 T CB -0.130 68.749 68.868 0.018 0.000 0.865 184 T HN 0.142 nan 8.240 nan 0.000 0.435 185 I N 0.910 121.525 120.570 0.074 0.000 2.142 185 I HA -0.145 4.024 4.170 -0.001 0.000 0.240 185 I C 2.309 178.546 176.117 0.201 0.000 1.078 185 I CA 1.223 62.608 61.300 0.142 0.000 1.343 185 I CB -0.500 37.573 38.000 0.120 0.000 1.046 185 I HN 0.177 nan 8.210 nan 0.000 0.405 186 L N 0.455 121.742 121.223 0.106 0.000 2.089 186 L HA -0.276 4.064 4.340 -0.001 0.000 0.213 186 L C 2.110 179.056 176.870 0.126 0.000 1.079 186 L CA 1.703 56.597 54.840 0.091 0.000 0.758 186 L CB -0.923 41.095 42.059 -0.069 0.000 0.891 186 L HN 0.376 nan 8.230 nan 0.000 0.433 187 N N -0.629 118.131 118.700 0.100 0.000 2.512 187 N HA -0.136 4.603 4.740 -0.001 0.000 0.183 187 N C 1.701 177.303 175.510 0.153 0.000 1.073 187 N CA 0.416 53.525 53.050 0.099 0.000 0.911 187 N CB 0.187 38.739 38.487 0.108 0.000 0.964 187 N HN 0.234 nan 8.380 nan 0.000 0.447 188 Q N 0.122 120.006 119.800 0.140 0.000 2.472 188 Q HA -0.019 4.321 4.340 -0.001 0.000 0.208 188 Q C 1.443 177.383 176.000 -0.100 0.000 0.958 188 Q CA 0.352 56.209 55.803 0.091 0.000 0.932 188 Q CB -0.053 28.571 28.738 -0.190 0.000 1.007 188 Q HN 0.441 nan 8.270 nan 0.000 0.508 189 K N 1.183 121.574 120.400 -0.014 0.000 2.127 189 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 189 K C 1.865 178.373 176.600 -0.153 0.000 1.047 189 K CA 1.258 57.557 56.287 0.019 0.000 0.927 189 K CB 0.106 32.665 32.500 0.099 0.000 0.716 189 K HN 0.170 nan 8.250 nan 0.000 0.450 190 R N -0.920 119.367 120.500 -0.354 0.000 2.127 190 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 190 R C 1.906 177.735 176.300 -0.784 0.000 1.134 190 R CA 1.571 57.228 56.100 -0.738 0.000 0.975 190 R CB -0.111 29.354 30.300 -1.392 0.000 0.865 190 R HN 0.436 nan 8.270 nan 0.000 0.447 191 W N -0.294 120.915 121.300 -0.152 0.000 2.792 191 W HA 0.187 4.846 4.660 -0.001 0.000 0.262 191 W C 1.127 177.533 176.519 -0.189 0.000 1.212 191 W CA -0.497 56.752 57.345 -0.160 0.000 1.433 191 W CB -0.307 29.045 29.460 -0.180 0.000 1.004 191 W HN 0.051 nan 8.180 nan 0.000 0.608 192 N N 1.126 119.785 118.700 -0.068 0.000 2.573 192 N HA -0.101 4.638 4.740 -0.001 0.000 0.187 192 N C 1.002 176.484 175.510 -0.047 0.000 1.107 192 N CA 0.806 53.749 53.050 -0.180 0.000 0.918 192 N CB -0.403 37.778 38.487 -0.510 0.000 0.966 192 N HN 0.158 nan 8.380 nan 0.000 0.448 193 N N -0.159 118.522 118.700 -0.032 0.000 2.392 193 N HA 0.043 4.782 4.740 -0.001 0.000 0.177 193 N C 1.071 176.579 175.510 -0.004 0.000 1.066 193 N CA 0.128 53.176 53.050 -0.003 0.000 0.895 193 N CB 0.196 38.671 38.487 -0.019 0.000 0.988 193 N HN 0.120 nan 8.380 nan 0.000 0.457 194 G N 0.149 108.943 108.800 -0.010 0.000 2.653 194 G HA2 0.189 4.149 3.960 -0.001 0.000 0.265 194 G HA3 0.189 4.149 3.960 -0.001 0.000 0.265 194 G C 0.770 175.689 174.900 0.032 0.000 1.237 194 G CA 0.037 45.143 45.100 0.009 0.000 0.946 194 G HN 0.229 nan 8.290 nan 0.000 0.522 195 S N -1.614 114.109 115.700 0.039 0.000 2.539 195 S HA 0.082 4.551 4.470 -0.001 0.000 0.221 195 S C 0.346 174.983 174.600 0.061 0.000 0.987 195 S CA 0.039 58.270 58.200 0.051 0.000 0.929 195 S CB 0.354 63.580 63.200 0.043 0.000 0.832 195 S HN 0.460 nan 8.310 nan 0.000 0.492 196 D N 2.166 122.602 120.400 0.061 0.000 2.352 196 D HA 0.246 4.885 4.640 -0.001 0.000 0.245 196 D C 0.871 177.214 176.300 0.072 0.000 1.224 196 D CA 0.049 54.088 54.000 0.065 0.000 0.879 196 D CB 1.218 42.057 40.800 0.066 0.000 1.057 196 D HN 0.089 nan 8.370 nan 0.000 0.491 197 E N 1.532 121.785 120.200 0.088 0.000 2.150 197 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 197 E C 1.860 178.537 176.600 0.128 0.000 0.985 197 E CA 0.972 57.446 56.400 0.124 0.000 0.814 197 E CB -0.021 29.765 29.700 0.143 0.000 0.752 197 E HN 0.486 nan 8.360 nan 0.000 0.466 198 S N -0.342 115.421 115.700 0.105 0.000 2.447 198 S HA -0.065 4.405 4.470 -0.001 0.000 0.233 198 S C 1.568 176.198 174.600 0.051 0.000 1.006 198 S CA 0.726 59.006 58.200 0.133 0.000 0.957 198 S CB -0.098 63.157 63.200 0.092 0.000 0.773 198 S HN 0.127 nan 8.310 nan 0.000 0.507 199 K N 0.634 121.022 120.400 -0.020 0.000 2.374 199 K HA 0.248 4.568 4.320 -0.001 0.000 0.196 199 K C 0.080 176.559 176.600 -0.203 0.000 1.023 199 K CA 0.002 56.188 56.287 -0.167 0.000 1.103 199 K CB 0.294 32.741 32.500 -0.089 0.000 0.848 199 K HN 0.333 nan 8.250 nan 0.000 0.528 200 K N 1.258 121.598 120.400 -0.099 0.000 2.185 200 K HA 0.242 4.562 4.320 -0.001 0.000 0.271 200 K C -0.870 175.560 176.600 -0.285 0.000 1.013 200 K CA -0.545 55.611 56.287 -0.218 0.000 0.943 200 K CB 0.944 33.259 32.500 -0.309 0.000 0.998 200 K HN -0.145 nan 8.250 nan 0.000 0.468 201 L N 3.857 124.829 121.223 -0.417 0.000 2.377 201 L HA 0.297 4.636 4.340 -0.001 0.000 0.270 201 L C -1.593 175.010 176.870 -0.445 0.000 0.991 201 L CA -0.404 54.237 54.840 -0.332 0.000 0.851 201 L CB 0.569 42.470 42.059 -0.263 0.000 1.218 201 L HN 0.439 nan 8.230 nan 0.000 0.420 202 Y N 3.348 123.496 120.300 -0.253 0.000 2.377 202 Y HA 0.354 4.903 4.550 -0.001 0.000 0.330 202 Y C 0.556 176.319 175.900 -0.228 0.000 1.108 202 Y CA -0.086 57.807 58.100 -0.345 0.000 1.308 202 Y CB 0.645 38.546 38.460 -0.931 0.000 1.216 202 Y HN 0.485 nan 8.280 nan 0.000 0.518 203 C N 3.613 122.970 119.300 0.096 0.000 2.341 203 C HA 0.711 5.170 4.460 -0.001 0.000 0.338 203 C C -0.124 174.917 174.990 0.085 0.000 1.257 203 C CA -1.122 57.951 59.018 0.093 0.000 1.883 203 C CB 0.452 28.298 27.740 0.176 0.000 2.334 203 C HN 0.572 nan 8.230 nan 0.000 0.524 204 V N 3.222 123.164 119.914 0.047 0.000 2.444 204 V HA 0.341 4.460 4.120 -0.001 0.000 0.294 204 V C -1.018 175.089 176.094 0.022 0.000 1.022 204 V CA -0.548 61.779 62.300 0.044 0.000 0.850 204 V CB 1.234 33.066 31.823 0.014 0.000 0.992 204 V HN 0.807 nan 8.190 nan 0.000 0.426 205 Y N 5.008 125.272 120.300 -0.060 0.000 2.335 205 Y HA 0.707 5.256 4.550 -0.001 0.000 0.338 205 Y C -0.493 175.365 175.900 -0.070 0.000 0.977 205 Y CA -0.709 57.345 58.100 -0.077 0.000 1.114 205 Y CB 1.816 40.250 38.460 -0.043 0.000 1.182 205 Y HN 0.419 nan 8.280 nan 0.000 0.463 206 V N 5.826 125.386 119.914 -0.590 0.000 2.384 206 V HA 0.732 4.852 4.120 -0.001 0.000 0.287 206 V C -0.203 175.633 176.094 -0.430 0.000 1.020 206 V CA -0.747 61.346 62.300 -0.344 0.000 0.850 206 V CB 0.953 32.639 31.823 -0.230 0.000 0.987 206 V HN 0.925 nan 8.190 nan 0.000 0.436 207 A N 5.114 127.858 122.820 -0.127 0.000 2.256 207 A HA 0.793 5.112 4.320 -0.001 0.000 0.317 207 A C -0.591 176.996 177.584 0.004 0.000 1.318 207 A CA -0.462 51.567 52.037 -0.013 0.000 0.894 207 A CB 0.900 20.014 19.000 0.191 0.000 1.165 207 A HN 0.706 nan 8.150 nan 0.000 0.525 208 V N 2.371 122.280 119.914 -0.009 0.000 2.409 208 V HA 0.657 4.776 4.120 -0.001 0.000 0.291 208 V C 1.225 177.341 176.094 0.037 0.000 1.020 208 V CA 0.511 62.823 62.300 0.019 0.000 0.848 208 V CB 0.715 32.541 31.823 0.006 0.000 0.990 208 V HN 1.809 nan 8.190 nan 0.000 0.430 209 G N 3.742 112.574 108.800 0.053 0.000 2.205 209 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.261 209 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.261 209 G C 0.279 175.210 174.900 0.052 0.000 0.980 209 G CA 0.425 45.558 45.100 0.055 0.000 0.632 209 G HN 0.655 nan 8.290 nan 0.000 0.533 210 Q N 0.539 120.372 119.800 0.056 0.000 2.443 210 Q HA 0.425 4.764 4.340 -0.001 0.000 0.232 210 Q C 0.770 176.802 176.000 0.054 0.000 1.026 210 Q CA 0.346 56.186 55.803 0.060 0.000 0.924 210 Q CB 0.490 29.278 28.738 0.083 0.000 1.256 210 Q HN 0.646 nan 8.270 nan 0.000 0.519 211 K N 0.497 120.926 120.400 0.048 0.000 2.118 211 K HA 0.248 4.567 4.320 -0.001 0.000 0.267 211 K C 0.299 176.924 176.600 0.041 0.000 0.991 211 K CA -0.554 55.758 56.287 0.041 0.000 0.916 211 K CB 1.192 33.712 32.500 0.034 0.000 1.041 211 K HN 0.445 nan 8.250 nan 0.000 0.455 212 R N 0.698 121.219 120.500 0.036 0.000 2.103 212 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 212 R C 2.344 178.659 176.300 0.025 0.000 1.142 212 R CA 2.360 58.480 56.100 0.032 0.000 0.960 212 R CB -0.408 29.908 30.300 0.027 0.000 0.858 212 R HN 0.955 nan 8.270 nan 0.000 0.439 213 S N -0.444 115.269 115.700 0.022 0.000 2.400 213 S HA -0.144 4.326 4.470 -0.001 0.000 0.232 213 S C 1.900 176.510 174.600 0.016 0.000 1.025 213 S CA 1.776 59.986 58.200 0.017 0.000 0.993 213 S CB -0.416 62.794 63.200 0.016 0.000 0.808 213 S HN 0.218 nan 8.310 nan 0.000 0.478 214 T N 1.997 116.566 114.554 0.025 0.000 2.821 214 T HA 0.043 4.392 4.350 -0.001 0.000 0.267 214 T C 1.876 176.587 174.700 0.018 0.000 1.046 214 T CA 1.331 63.447 62.100 0.026 0.000 1.139 214 T CB -0.416 68.476 68.868 0.040 0.000 0.871 214 T HN 0.338 nan 8.240 nan 0.000 0.454 215 V N 1.696 121.627 119.914 0.029 0.000 2.453 215 V HA -0.058 4.061 4.120 -0.001 0.000 0.247 215 V C 2.897 178.984 176.094 -0.011 0.000 1.048 215 V CA 1.375 63.687 62.300 0.019 0.000 1.049 215 V CB -1.237 30.621 31.823 0.057 0.000 0.672 215 V HN 0.481 nan 8.190 nan 0.000 0.457 216 A N 0.047 122.867 122.820 -0.001 0.000 1.908 216 A HA -0.328 3.991 4.320 -0.001 0.000 0.218 216 A C 2.213 179.784 177.584 -0.022 0.000 1.181 216 A CA 2.364 54.395 52.037 -0.010 0.000 0.627 216 A CB -0.559 18.440 19.000 -0.003 0.000 0.818 216 A HN 0.542 nan 8.150 nan 0.000 0.445 217 Q N -0.518 119.272 119.800 -0.017 0.000 2.167 217 Q HA -0.039 4.300 4.340 -0.001 0.000 0.202 217 Q C 1.841 177.819 176.000 -0.037 0.000 0.970 217 Q CA 1.644 57.435 55.803 -0.019 0.000 0.855 217 Q CB -0.396 28.340 28.738 -0.003 0.000 0.911 217 Q HN 0.660 nan 8.270 nan 0.000 0.438 218 L N -0.521 120.667 121.223 -0.059 0.000 2.095 218 L HA -0.064 4.276 4.340 -0.001 0.000 0.204 218 L C 2.131 178.928 176.870 -0.122 0.000 1.080 218 L CA 1.201 55.975 54.840 -0.112 0.000 0.759 218 L CB -0.318 41.615 42.059 -0.209 0.000 0.914 218 L HN 0.294 nan 8.230 nan 0.000 0.439 219 V N -2.401 117.451 119.914 -0.103 0.000 2.392 219 V HA -0.321 3.799 4.120 -0.001 0.000 0.249 219 V C 2.292 178.345 176.094 -0.067 0.000 1.059 219 V CA 2.089 64.338 62.300 -0.086 0.000 1.051 219 V CB -1.180 30.607 31.823 -0.059 0.000 0.658 219 V HN 0.667 nan 8.190 nan 0.000 0.455 220 Q N 0.228 119.996 119.800 -0.055 0.000 2.124 220 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 220 Q C 2.338 178.309 176.000 -0.049 0.000 0.977 220 Q CA 2.417 58.190 55.803 -0.049 0.000 0.850 220 Q CB -0.239 28.474 28.738 -0.043 0.000 0.901 220 Q HN 0.762 nan 8.270 nan 0.000 0.429 221 T N 1.280 115.806 114.554 -0.046 0.000 2.777 221 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 221 T C 1.815 176.538 174.700 0.039 0.000 1.040 221 T CA 0.935 63.026 62.100 -0.015 0.000 1.141 221 T CB -0.146 68.699 68.868 -0.037 0.000 0.868 221 T HN 0.242 nan 8.240 nan 0.000 0.444 222 L N 0.496 121.699 121.223 -0.034 0.000 2.083 222 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 222 L C 2.663 179.501 176.870 -0.054 0.000 1.083 222 L CA 1.395 56.200 54.840 -0.058 0.000 0.752 222 L CB -0.482 41.504 42.059 -0.123 0.000 0.899 222 L HN 0.312 nan 8.230 nan 0.000 0.433 223 E N -0.155 120.012 120.200 -0.056 0.000 2.028 223 E HA -0.234 4.115 4.350 -0.001 0.000 0.191 223 E C 2.215 178.779 176.600 -0.059 0.000 0.988 223 E CA 1.029 57.392 56.400 -0.062 0.000 0.799 223 E CB -0.032 29.633 29.700 -0.059 0.000 0.755 223 E HN 0.465 nan 8.360 nan 0.000 0.447 224 Q N -0.381 119.378 119.800 -0.068 0.000 2.368 224 Q HA -0.158 4.181 4.340 -0.001 0.000 0.210 224 Q C 1.302 177.163 176.000 -0.232 0.000 0.982 224 Q CA 0.887 56.605 55.803 -0.141 0.000 0.884 224 Q CB 0.010 28.645 28.738 -0.173 0.000 0.933 224 Q HN 0.445 nan 8.270 nan 0.000 0.460 225 H N -0.708 118.310 119.070 -0.087 0.000 2.586 225 H HA 0.026 4.582 4.556 -0.001 0.000 0.273 225 H C -0.145 175.151 175.328 -0.055 0.000 0.997 225 H CA 0.209 56.220 56.048 -0.061 0.000 1.177 225 H CB 0.654 30.392 29.762 -0.041 0.000 1.471 225 H HN 0.179 nan 8.280 nan 0.000 0.538 226 D N 0.407 120.805 120.400 -0.003 0.000 2.723 226 D HA -0.170 4.469 4.640 -0.001 0.000 0.236 226 D C 0.821 177.065 176.300 -0.092 0.000 1.138 226 D CA 0.669 54.648 54.000 -0.036 0.000 0.676 226 D CB -1.032 39.764 40.800 -0.007 0.000 1.069 226 D HN 0.514 nan 8.370 nan 0.000 0.430 227 A N -0.518 122.174 122.820 -0.213 0.000 2.324 227 A HA 0.197 4.517 4.320 -0.001 0.000 0.220 227 A C 1.818 178.921 177.584 -0.801 0.000 1.209 227 A CA 0.747 52.401 52.037 -0.639 0.000 0.918 227 A CB -0.000 18.810 19.000 -0.316 0.000 0.959 227 A HN 0.284 nan 8.150 nan 0.000 0.507 228 M N 1.400 120.775 119.600 -0.375 0.000 2.279 228 M HA -0.107 4.372 4.480 -0.001 0.000 0.264 228 M C 1.858 178.030 176.300 -0.214 0.000 1.062 228 M CA 1.832 56.983 55.300 -0.249 0.000 1.099 228 M CB -0.497 32.023 32.600 -0.134 0.000 1.394 228 M HN 0.482 nan 8.290 nan 0.000 0.426 229 K N -0.666 119.601 120.400 -0.222 0.000 2.439 229 K HA -0.137 4.182 4.320 -0.001 0.000 0.197 229 K C 0.446 177.095 176.600 0.082 0.000 1.041 229 K CA 1.360 57.619 56.287 -0.045 0.000 0.970 229 K CB -0.522 31.986 32.500 0.015 0.000 0.773 229 K HN 0.599 nan 8.250 nan 0.000 0.479 230 Y N -1.114 119.233 120.300 0.078 0.000 2.675 230 Y HA 0.496 5.046 4.550 -0.001 0.000 0.248 230 Y C -0.392 175.564 175.900 0.093 0.000 1.161 230 Y CA -1.232 56.940 58.100 0.120 0.000 1.203 230 Y CB 0.205 38.689 38.460 0.041 0.000 1.262 230 Y HN -0.132 nan 8.280 nan 0.000 0.544 231 S N 1.264 116.993 115.700 0.050 0.000 2.578 231 S HA 0.733 5.202 4.470 -0.001 0.000 0.301 231 S C -0.715 173.927 174.600 0.071 0.000 1.091 231 S CA -0.624 57.617 58.200 0.068 0.000 1.032 231 S CB 1.873 65.050 63.200 -0.038 0.000 1.064 231 S HN 0.245 nan 8.310 nan 0.000 0.508 232 I N 2.555 123.181 120.570 0.093 0.000 2.418 232 I HA 0.375 4.545 4.170 -0.001 0.000 0.287 232 I C -1.026 175.144 176.117 0.088 0.000 1.008 232 I CA -0.594 60.758 61.300 0.087 0.000 1.104 232 I CB 1.335 39.407 38.000 0.119 0.000 1.264 232 I HN 0.360 nan 8.210 nan 0.000 0.438 233 I N 7.130 127.745 120.570 0.075 0.000 2.336 233 I HA 0.347 4.516 4.170 -0.001 0.000 0.292 233 I C -0.104 176.061 176.117 0.079 0.000 0.991 233 I CA -0.718 60.648 61.300 0.109 0.000 1.227 233 I CB 1.510 39.562 38.000 0.087 0.000 1.366 233 I HN 0.140 nan 8.210 nan 0.000 0.466 234 V N 5.933 125.892 119.914 0.074 0.000 2.350 234 V HA 0.668 4.787 4.120 -0.001 0.000 0.285 234 V C 0.321 176.442 176.094 0.046 0.000 1.014 234 V CA -0.585 61.739 62.300 0.041 0.000 0.831 234 V CB 1.467 33.299 31.823 0.016 0.000 1.000 234 V HN 0.871 nan 8.190 nan 0.000 0.433 235 A N 4.227 127.076 122.820 0.049 0.000 2.331 235 A HA 0.925 5.245 4.320 -0.001 0.000 0.320 235 A C -0.040 177.574 177.584 0.050 0.000 1.138 235 A CA -0.355 51.717 52.037 0.058 0.000 0.790 235 A CB 1.479 20.519 19.000 0.067 0.000 1.206 235 A HN 1.331 nan 8.150 nan 0.000 0.470 236 A N 2.783 125.635 122.820 0.054 0.000 2.702 236 A HA 0.646 4.965 4.320 -0.001 0.000 0.305 236 A C 0.269 177.893 177.584 0.066 0.000 1.213 236 A CA 0.069 52.145 52.037 0.065 0.000 0.745 236 A CB -0.064 18.982 19.000 0.077 0.000 1.161 236 A HN 1.312 nan 8.150 nan 0.000 0.445 237 T N -1.230 113.362 114.554 0.063 0.000 2.849 237 T HA 0.607 4.956 4.350 -0.001 0.000 0.276 237 T C 1.603 176.337 174.700 0.057 0.000 0.971 237 T CA 0.059 62.194 62.100 0.059 0.000 0.949 237 T CB 1.157 70.057 68.868 0.053 0.000 1.093 237 T HN 1.210 nan 8.240 nan 0.000 0.545 238 A N 0.927 123.778 122.820 0.051 0.000 1.958 238 A HA -0.138 4.181 4.320 -0.001 0.000 0.221 238 A C 2.490 180.101 177.584 0.045 0.000 1.178 238 A CA 2.532 54.597 52.037 0.047 0.000 0.642 238 A CB -1.570 17.455 19.000 0.041 0.000 0.816 238 A HN 1.105 nan 8.150 nan 0.000 0.453 239 S N -0.440 115.285 115.700 0.042 0.000 2.470 239 S HA 0.059 4.529 4.470 -0.001 0.000 0.225 239 S C 0.643 175.269 174.600 0.043 0.000 1.006 239 S CA 0.040 58.263 58.200 0.037 0.000 0.934 239 S CB -0.184 63.035 63.200 0.032 0.000 0.778 239 S HN 0.668 nan 8.310 nan 0.000 0.517 240 E N 1.497 121.730 120.200 0.056 0.000 2.392 240 E HA 0.520 4.870 4.350 -0.001 0.000 0.256 240 E C -0.030 176.617 176.600 0.078 0.000 1.145 240 E CA -0.237 56.205 56.400 0.070 0.000 0.929 240 E CB 0.560 30.310 29.700 0.083 0.000 0.998 240 E HN 0.414 nan 8.360 nan 0.000 0.442 241 A N 0.986 123.861 122.820 0.092 0.000 2.407 241 A HA 0.336 4.656 4.320 -0.001 0.000 0.248 241 A C 1.212 178.859 177.584 0.103 0.000 1.082 241 A CA 0.450 52.534 52.037 0.077 0.000 0.785 241 A CB 0.546 19.584 19.000 0.063 0.000 1.020 241 A HN 0.760 nan 8.150 nan 0.000 0.489 242 A N 2.683 125.547 122.820 0.073 0.000 1.927 242 A HA -0.112 4.207 4.320 -0.001 0.000 0.220 242 A C -0.368 177.316 177.584 0.167 0.000 1.185 242 A CA 2.333 54.430 52.037 0.100 0.000 0.639 242 A CB -1.679 17.354 19.000 0.054 0.000 0.820 242 A HN 0.622 nan 8.150 nan 0.000 0.451 243 P HA -0.032 nan 4.420 nan 0.000 0.223 243 P C 1.331 178.906 177.300 0.459 0.000 1.151 243 P CA 0.639 63.859 63.100 0.200 0.000 0.787 243 P CB -0.069 31.572 31.700 -0.099 0.000 0.788 244 L N -0.994 120.473 121.223 0.407 0.000 2.072 244 L HA -0.155 4.185 4.340 -0.001 0.000 0.205 244 L C 2.572 179.594 176.870 0.255 0.000 1.079 244 L CA 1.489 56.549 54.840 0.367 0.000 0.752 244 L CB -0.854 41.365 42.059 0.266 0.000 0.906 244 L HN -0.021 nan 8.230 nan 0.000 0.436 245 Q N -1.066 118.868 119.800 0.224 0.000 2.079 245 Q HA -0.251 4.088 4.340 -0.001 0.000 0.200 245 Q C 2.118 178.236 176.000 0.198 0.000 0.974 245 Q CA 1.848 57.754 55.803 0.172 0.000 0.840 245 Q CB -0.323 28.504 28.738 0.148 0.000 0.898 245 Q HN 0.504 nan 8.270 nan 0.000 0.430 246 Y N 1.046 121.439 120.300 0.154 0.000 2.165 246 Y HA -0.259 4.291 4.550 -0.001 0.000 0.286 246 Y C 1.910 177.945 175.900 0.225 0.000 1.155 246 Y CA 1.317 59.524 58.100 0.178 0.000 1.164 246 Y CB -0.158 38.434 38.460 0.221 0.000 0.978 246 Y HN 0.085 nan 8.280 nan 0.000 0.513 247 L N 0.416 121.768 121.223 0.216 0.000 2.240 247 L HA 0.116 4.455 4.340 -0.001 0.000 0.211 247 L C 2.503 179.418 176.870 0.076 0.000 1.106 247 L CA 1.525 56.459 54.840 0.158 0.000 0.793 247 L CB -1.011 41.247 42.059 0.331 0.000 0.927 247 L HN 0.317 nan 8.230 nan 0.000 0.446 248 A N 0.531 123.376 122.820 0.041 0.000 1.892 248 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 248 A C -0.017 177.545 177.584 -0.036 0.000 1.188 248 A CA 2.069 54.113 52.037 0.011 0.000 0.631 248 A CB -2.019 16.994 19.000 0.021 0.000 0.822 248 A HN 0.385 nan 8.150 nan 0.000 0.447 249 P HA -0.129 nan 4.420 nan 0.000 0.216 249 P C 0.975 178.159 177.300 -0.193 0.000 1.150 249 P CA 1.097 64.103 63.100 -0.157 0.000 0.837 249 P CB -0.168 31.206 31.700 -0.543 0.000 0.786 250 F N -0.119 119.774 119.950 -0.096 0.000 2.113 250 F HA -0.151 4.375 4.527 -0.001 0.000 0.297 250 F C 2.501 178.281 175.800 -0.033 0.000 1.103 250 F CA 1.934 59.872 58.000 -0.103 0.000 1.248 250 F CB -2.120 36.761 39.000 -0.198 0.000 0.999 250 F HN -0.041 nan 8.300 nan 0.000 0.475 251 T N -1.692 112.945 114.554 0.138 0.000 2.821 251 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 251 T C 2.147 176.887 174.700 0.066 0.000 1.046 251 T CA 0.943 63.092 62.100 0.080 0.000 1.139 251 T CB -0.919 67.972 68.868 0.038 0.000 0.871 251 T HN 0.201 nan 8.240 nan 0.000 0.454 252 A N 1.898 124.752 122.820 0.057 0.000 1.933 252 A HA 0.290 4.610 4.320 -0.001 0.000 0.218 252 A C 2.805 180.431 177.584 0.071 0.000 1.175 252 A CA 1.833 53.897 52.037 0.044 0.000 0.628 252 A CB -1.345 17.655 19.000 0.001 0.000 0.814 252 A HN 0.743 nan 8.150 nan 0.000 0.444 253 A N -0.381 122.506 122.820 0.112 0.000 1.898 253 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 253 A C 2.427 180.082 177.584 0.118 0.000 1.181 253 A CA 2.006 54.122 52.037 0.132 0.000 0.620 253 A CB -0.849 18.249 19.000 0.164 0.000 0.819 253 A HN 0.478 nan 8.150 nan 0.000 0.442 254 S N 0.055 115.819 115.700 0.106 0.000 2.382 254 S HA -0.137 4.332 4.470 -0.001 0.000 0.228 254 S C 1.776 176.439 174.600 0.105 0.000 1.027 254 S CA 1.465 59.721 58.200 0.093 0.000 0.991 254 S CB -0.548 62.695 63.200 0.072 0.000 0.823 254 S HN 0.527 nan 8.310 nan 0.000 0.469 255 I N 1.820 122.447 120.570 0.096 0.000 2.118 255 I HA -0.209 3.960 4.170 -0.001 0.000 0.241 255 I C 2.768 179.019 176.117 0.224 0.000 1.070 255 I CA 1.446 62.813 61.300 0.112 0.000 1.327 255 I CB -0.923 37.133 38.000 0.093 0.000 1.034 255 I HN 0.395 nan 8.210 nan 0.000 0.405 256 G N -0.234 108.702 108.800 0.228 0.000 2.442 256 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.219 256 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.219 256 G C 1.533 176.610 174.900 0.293 0.000 1.141 256 G CA 0.694 45.978 45.100 0.306 0.000 0.763 256 G HN 0.419 nan 8.290 nan 0.000 0.554 257 E N -0.854 119.456 120.200 0.184 0.000 2.204 257 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 257 E C 1.905 178.551 176.600 0.078 0.000 0.990 257 E CA 0.536 57.005 56.400 0.116 0.000 0.821 257 E CB -0.191 29.557 29.700 0.080 0.000 0.750 257 E HN 0.677 nan 8.360 nan 0.000 0.477 258 W N 0.429 121.676 121.300 -0.088 0.000 2.335 258 W HA -0.253 4.407 4.660 -0.001 0.000 0.311 258 W C 1.483 177.844 176.519 -0.262 0.000 1.213 258 W CA 1.651 58.854 57.345 -0.237 0.000 1.274 258 W CB -0.371 28.841 29.460 -0.414 0.000 1.148 258 W HN 0.006 nan 8.180 nan 0.000 0.498 259 F N 0.299 120.344 119.950 0.158 0.000 2.095 259 F HA -0.187 4.340 4.527 -0.001 0.000 0.298 259 F C 2.764 178.447 175.800 -0.194 0.000 1.104 259 F CA 2.273 60.258 58.000 -0.025 0.000 1.232 259 F CB -1.404 37.668 39.000 0.120 0.000 0.987 259 F HN -0.174 nan 8.300 nan 0.000 0.475 260 R N 0.703 121.242 120.500 0.064 0.000 2.083 260 R HA -0.181 4.159 4.340 -0.001 0.000 0.237 260 R C 1.600 177.813 176.300 -0.144 0.000 1.137 260 R CA 2.141 58.219 56.100 -0.037 0.000 0.951 260 R CB -0.542 29.770 30.300 0.019 0.000 0.851 260 R HN 0.207 nan 8.270 nan 0.000 0.434 261 D N 0.063 120.343 120.400 -0.199 0.000 2.310 261 D HA -0.083 4.556 4.640 -0.001 0.000 0.212 261 D C 0.487 176.577 176.300 -0.350 0.000 0.965 261 D CA 0.789 54.642 54.000 -0.245 0.000 0.879 261 D CB -0.128 40.533 40.800 -0.232 0.000 0.921 261 D HN 0.283 nan 8.370 nan 0.000 0.510 262 N N -0.247 118.152 118.700 -0.501 0.000 2.275 262 N HA 0.171 4.910 4.740 -0.001 0.000 0.236 262 N C 0.811 176.115 175.510 -0.344 0.000 1.154 262 N CA 0.210 52.929 53.050 -0.551 0.000 0.866 262 N CB 1.529 39.364 38.487 -1.087 0.000 1.093 262 N HN 0.102 nan 8.380 nan 0.000 0.515 263 G N 1.248 109.893 108.800 -0.258 0.000 2.147 263 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.244 263 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.244 263 G C 0.048 174.813 174.900 -0.225 0.000 1.005 263 G CA 0.412 45.392 45.100 -0.200 0.000 0.713 263 G HN 0.338 nan 8.290 nan 0.000 0.515 264 K N -0.731 119.525 120.400 -0.239 0.000 2.279 264 K HA 0.767 5.086 4.320 -0.001 0.000 0.238 264 K C -0.451 175.930 176.600 -0.364 0.000 1.084 264 K CA -1.088 55.098 56.287 -0.168 0.000 0.885 264 K CB 1.245 33.890 32.500 0.242 0.000 1.319 264 K HN 0.276 nan 8.250 nan 0.000 0.494 265 H N -0.470 118.706 119.070 0.177 0.000 2.589 265 H HA 0.601 5.156 4.556 -0.001 0.000 0.351 265 H C -1.145 174.232 175.328 0.080 0.000 1.074 265 H CA -0.877 55.219 56.048 0.079 0.000 1.203 265 H CB 2.014 31.757 29.762 -0.032 0.000 1.558 265 H HN 0.690 nan 8.280 nan 0.000 0.522 266 A N 2.808 125.719 122.820 0.151 0.000 2.435 266 A HA 0.564 4.884 4.320 -0.001 0.000 0.304 266 A C -1.372 176.231 177.584 0.031 0.000 1.064 266 A CA -0.700 51.370 52.037 0.054 0.000 0.727 266 A CB 1.936 21.002 19.000 0.108 0.000 1.284 266 A HN 0.477 nan 8.150 nan 0.000 0.415 267 L N 2.190 123.407 121.223 -0.011 0.000 2.376 267 L HA 0.803 5.143 4.340 -0.001 0.000 0.275 267 L C -1.171 175.662 176.870 -0.061 0.000 0.987 267 L CA -0.362 54.459 54.840 -0.032 0.000 0.828 267 L CB 1.222 43.259 42.059 -0.036 0.000 1.249 267 L HN 0.700 nan 8.230 nan 0.000 0.409 268 I N 5.218 125.711 120.570 -0.129 0.000 2.474 268 I HA 0.619 4.789 4.170 -0.001 0.000 0.294 268 I C -1.289 174.578 176.117 -0.417 0.000 1.005 268 I CA -0.757 60.369 61.300 -0.289 0.000 1.113 268 I CB 1.917 39.677 38.000 -0.400 0.000 1.289 268 I HN 0.446 nan 8.210 nan 0.000 0.436 269 V N 7.950 127.601 119.914 -0.438 0.000 2.378 269 V HA 0.312 4.432 4.120 -0.001 0.000 0.288 269 V C -1.147 174.597 176.094 -0.583 0.000 1.016 269 V CA -0.420 61.646 62.300 -0.390 0.000 0.840 269 V CB 1.206 32.931 31.823 -0.164 0.000 0.994 269 V HN 0.490 nan 8.190 nan 0.000 0.431 270 Y N 2.599 122.743 120.300 -0.259 0.000 2.595 270 Y HA 0.446 4.996 4.550 -0.001 0.000 0.336 270 Y C 0.327 176.057 175.900 -0.283 0.000 0.996 270 Y CA -0.797 57.129 58.100 -0.290 0.000 1.260 270 Y CB 0.761 39.064 38.460 -0.261 0.000 1.108 270 Y HN 0.514 nan 8.280 nan 0.000 0.509 271 D N 3.719 123.974 120.400 -0.241 0.000 2.462 271 D HA 0.191 4.830 4.640 -0.001 0.000 0.249 271 D C -1.277 174.967 176.300 -0.095 0.000 1.117 271 D CA -0.380 53.513 54.000 -0.179 0.000 0.900 271 D CB 0.307 40.953 40.800 -0.256 0.000 1.039 271 D HN 0.687 nan 8.370 nan 0.000 0.516 272 D N 0.378 120.749 120.400 -0.048 0.000 2.581 272 D HA 0.223 4.862 4.640 -0.001 0.000 0.232 272 D C 1.052 177.314 176.300 -0.064 0.000 1.143 272 D CA -0.742 53.224 54.000 -0.058 0.000 0.881 272 D CB 1.156 41.931 40.800 -0.042 0.000 1.500 272 D HN 0.057 nan 8.370 nan 0.000 0.458 273 L N 0.347 121.490 121.223 -0.133 0.000 2.362 273 L HA -0.060 4.279 4.340 -0.001 0.000 0.219 273 L C 1.866 178.712 176.870 -0.039 0.000 1.134 273 L CA 0.622 55.348 54.840 -0.191 0.000 0.807 273 L CB -0.430 41.269 42.059 -0.599 0.000 0.927 273 L HN 0.436 nan 8.230 nan 0.000 0.447 274 S N 0.257 115.939 115.700 -0.029 0.000 2.356 274 S HA -0.178 4.291 4.470 -0.001 0.000 0.223 274 S C 1.972 176.635 174.600 0.105 0.000 1.032 274 S CA 1.376 59.602 58.200 0.044 0.000 1.005 274 S CB -0.050 63.167 63.200 0.030 0.000 0.867 274 S HN 0.391 nan 8.310 nan 0.000 0.449 275 K N 1.034 121.479 120.400 0.075 0.000 2.097 275 K HA -0.103 4.217 4.320 -0.001 0.000 0.205 275 K C 2.445 179.120 176.600 0.124 0.000 1.050 275 K CA 0.972 57.315 56.287 0.094 0.000 0.938 275 K CB -0.153 32.386 32.500 0.064 0.000 0.718 275 K HN 0.386 nan 8.250 nan 0.000 0.442 276 Q N 0.851 120.717 119.800 0.111 0.000 2.084 276 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 276 Q C 2.027 178.163 176.000 0.227 0.000 0.978 276 Q CA 1.620 57.505 55.803 0.136 0.000 0.844 276 Q CB -0.112 28.656 28.738 0.049 0.000 0.898 276 Q HN 0.323 nan 8.270 nan 0.000 0.426 277 A N 0.150 123.123 122.820 0.254 0.000 1.933 277 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 277 A C 2.221 180.070 177.584 0.441 0.000 1.175 277 A CA 1.439 53.672 52.037 0.327 0.000 0.628 277 A CB -0.697 18.447 19.000 0.241 0.000 0.814 277 A HN 0.308 nan 8.150 nan 0.000 0.444 278 V N -0.256 119.862 119.914 0.341 0.000 2.407 278 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 278 V C 3.000 179.181 176.094 0.144 0.000 1.055 278 V CA 1.923 64.345 62.300 0.204 0.000 1.049 278 V CB -1.017 30.891 31.823 0.143 0.000 0.662 278 V HN 0.625 nan 8.190 nan 0.000 0.455 279 A N -1.098 121.838 122.820 0.193 0.000 1.897 279 A HA -0.222 4.098 4.320 -0.001 0.000 0.215 279 A C 2.166 179.892 177.584 0.236 0.000 1.181 279 A CA 1.659 53.808 52.037 0.186 0.000 0.620 279 A CB -0.723 18.403 19.000 0.209 0.000 0.821 279 A HN 0.584 nan 8.150 nan 0.000 0.443 280 Y N 0.861 121.268 120.300 0.178 0.000 2.224 280 Y HA -0.208 4.341 4.550 -0.001 0.000 0.289 280 Y C 2.425 178.362 175.900 0.062 0.000 1.146 280 Y CA 1.883 60.072 58.100 0.148 0.000 1.182 280 Y CB -0.465 38.146 38.460 0.252 0.000 0.983 280 Y HN 0.384 nan 8.280 nan 0.000 0.524 281 R N 0.245 120.773 120.500 0.046 0.000 2.115 281 R HA -0.203 4.137 4.340 -0.001 0.000 0.230 281 R C 2.392 178.603 176.300 -0.147 0.000 1.111 281 R CA 1.680 57.691 56.100 -0.148 0.000 0.976 281 R CB -0.351 29.791 30.300 -0.262 0.000 0.870 281 R HN 0.586 nan 8.270 nan 0.000 0.445 282 Q N 0.376 120.133 119.800 -0.071 0.000 2.049 282 Q HA -0.154 4.185 4.340 -0.001 0.000 0.198 282 Q C 1.977 177.930 176.000 -0.079 0.000 0.971 282 Q CA 1.273 57.038 55.803 -0.064 0.000 0.833 282 Q CB -0.061 28.664 28.738 -0.022 0.000 0.896 282 Q HN 0.305 nan 8.270 nan 0.000 0.434 283 L N 0.757 121.936 121.223 -0.073 0.000 1.978 283 L HA -0.267 4.072 4.340 -0.001 0.000 0.218 283 L C 2.602 179.389 176.870 -0.138 0.000 1.075 283 L CA 2.192 56.967 54.840 -0.109 0.000 0.767 283 L CB -0.930 41.045 42.059 -0.140 0.000 0.890 283 L HN 0.179 nan 8.230 nan 0.000 0.434 284 S N -0.990 114.587 115.700 -0.205 0.000 2.368 284 S HA -0.083 4.386 4.470 -0.001 0.000 0.224 284 S C 1.952 176.466 174.600 -0.142 0.000 1.029 284 S CA 1.078 59.150 58.200 -0.215 0.000 0.988 284 S CB -0.333 62.655 63.200 -0.353 0.000 0.838 284 S HN 0.310 nan 8.310 nan 0.000 0.462 285 L N 0.838 121.981 121.223 -0.134 0.000 2.141 285 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 285 L C 2.089 178.914 176.870 -0.075 0.000 1.094 285 L CA 0.943 55.726 54.840 -0.096 0.000 0.763 285 L CB -0.508 41.495 42.059 -0.093 0.000 0.908 285 L HN 0.285 nan 8.230 nan 0.000 0.437 286 L N -0.766 120.412 121.223 -0.077 0.000 2.179 286 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 286 L C 2.215 179.051 176.870 -0.056 0.000 1.096 286 L CA 0.656 55.459 54.840 -0.061 0.000 0.779 286 L CB -0.243 41.780 42.059 -0.060 0.000 0.922 286 L HN 0.227 nan 8.230 nan 0.000 0.443 287 L N -0.183 121.000 121.223 -0.066 0.000 2.633 287 L HA -0.062 4.277 4.340 -0.001 0.000 0.235 287 L C 0.811 177.655 176.870 -0.044 0.000 1.163 287 L CA 0.356 55.164 54.840 -0.054 0.000 0.859 287 L CB -0.374 41.646 42.059 -0.064 0.000 0.973 287 L HN 0.311 nan 8.230 nan 0.000 0.451 288 R N -0.266 120.206 120.500 -0.047 0.000 3.758 288 R HA -0.184 4.155 4.340 -0.001 0.000 0.299 288 R C 0.061 176.339 176.300 -0.037 0.000 1.182 288 R CA 0.447 56.524 56.100 -0.038 0.000 0.809 288 R CB -1.760 28.524 30.300 -0.026 0.000 1.249 288 R HN 0.422 nan 8.270 nan 0.000 0.497 289 R N 1.226 121.697 120.500 -0.049 0.000 2.537 289 R HA 0.115 4.454 4.340 -0.001 0.000 0.280 289 R C -2.085 174.190 176.300 -0.042 0.000 1.058 289 R CA -1.374 54.700 56.100 -0.043 0.000 1.057 289 R CB 0.282 30.547 30.300 -0.059 0.000 0.973 289 R HN -0.088 nan 8.270 nan 0.000 0.438 290 P HA 0.086 nan 4.420 nan 0.000 0.271 290 P C -2.201 175.091 177.300 -0.013 0.000 1.226 290 P CA -1.019 62.071 63.100 -0.017 0.000 0.765 290 P CB 0.283 31.980 31.700 -0.005 0.000 0.835 291 P HA 0.240 nan 4.420 nan 0.000 0.274 291 P C 0.191 177.509 177.300 0.031 0.000 1.246 291 P CA -0.024 63.075 63.100 -0.002 0.000 0.795 291 P CB 0.900 32.590 31.700 -0.017 0.000 1.006 292 G N 0.066 108.910 108.800 0.074 0.000 3.175 292 G HA2 0.322 4.281 3.960 -0.001 0.000 0.153 292 G HA3 0.322 4.281 3.960 -0.001 0.000 0.153 292 G C -0.591 174.373 174.900 0.106 0.000 1.216 292 G CA -0.658 44.499 45.100 0.096 0.000 0.943 292 G HN 0.538 nan 8.290 nan 0.000 0.611 293 R N 0.694 121.262 120.500 0.112 0.000 2.491 293 R HA 0.161 4.501 4.340 -0.001 0.000 0.283 293 R C 0.042 176.472 176.300 0.217 0.000 1.072 293 R CA 0.488 56.595 56.100 0.012 0.000 1.048 293 R CB -0.032 30.058 30.300 -0.350 0.000 0.983 293 R HN 0.717 nan 8.270 nan 0.000 0.450 294 E N 2.351 122.641 120.200 0.150 0.000 2.604 294 E HA -0.341 4.009 4.350 -0.001 0.000 0.255 294 E C 0.324 177.003 176.600 0.130 0.000 1.164 294 E CA 0.558 57.084 56.400 0.209 0.000 0.737 294 E CB -1.109 28.829 29.700 0.397 0.000 1.317 294 E HN 0.864 nan 8.360 nan 0.000 0.417 295 A N -2.650 120.221 122.820 0.084 0.000 3.396 295 A HA -0.314 4.006 4.320 -0.001 0.000 0.267 295 A C 0.240 177.792 177.584 -0.054 0.000 1.139 295 A CA 1.721 53.748 52.037 -0.018 0.000 1.115 295 A CB -2.014 16.932 19.000 -0.090 0.000 1.133 295 A HN 0.436 nan 8.150 nan 0.000 0.920 296 Y N -0.062 120.297 120.300 0.099 0.000 2.330 296 Y HA 0.416 4.965 4.550 -0.001 0.000 0.341 296 Y C -1.482 174.438 175.900 0.034 0.000 1.278 296 Y CA -1.082 57.065 58.100 0.079 0.000 1.453 296 Y CB -0.033 38.526 38.460 0.166 0.000 1.342 296 Y HN 0.162 nan 8.280 nan 0.000 0.590 297 P HA 0.034 nan 4.420 nan 0.000 0.272 297 P C 0.661 178.067 177.300 0.176 0.000 1.230 297 P CA 0.349 63.459 63.100 0.017 0.000 0.788 297 P CB 0.718 32.261 31.700 -0.262 0.000 0.949 298 G N 1.943 110.829 108.800 0.144 0.000 2.547 298 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.221 298 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.221 298 G C 0.571 175.612 174.900 0.235 0.000 1.140 298 G CA 1.134 46.337 45.100 0.172 0.000 0.760 298 G HN 0.671 nan 8.290 nan 0.000 0.583 299 D N 0.154 120.718 120.400 0.273 0.000 2.738 299 D HA 0.166 4.805 4.640 -0.001 0.000 0.246 299 D C 1.559 178.093 176.300 0.390 0.000 1.270 299 D CA -0.485 53.718 54.000 0.338 0.000 0.833 299 D CB 0.270 41.273 40.800 0.339 0.000 1.040 299 D HN 0.104 nan 8.370 nan 0.000 0.487 300 V N 0.090 120.209 119.914 0.341 0.000 2.568 300 V HA -0.197 3.923 4.120 -0.001 0.000 0.253 300 V C 1.645 177.737 176.094 -0.004 0.000 1.072 300 V CA 1.479 63.897 62.300 0.197 0.000 1.084 300 V CB -0.809 31.058 31.823 0.074 0.000 0.676 300 V HN 0.361 nan 8.190 nan 0.000 0.469 301 F N -0.479 119.482 119.950 0.019 0.000 2.293 301 F HA -0.108 4.418 4.527 -0.001 0.000 0.297 301 F C 2.023 177.879 175.800 0.093 0.000 1.089 301 F CA 1.793 59.806 58.000 0.021 0.000 1.377 301 F CB -0.481 38.562 39.000 0.072 0.000 1.051 301 F HN 0.323 nan 8.300 nan 0.000 0.511 302 Y N 0.801 121.047 120.300 -0.089 0.000 2.293 302 Y HA -0.134 4.416 4.550 -0.001 0.000 0.291 302 Y C 2.095 177.873 175.900 -0.203 0.000 1.137 302 Y CA 1.478 59.490 58.100 -0.146 0.000 1.202 302 Y CB -0.795 37.690 38.460 0.042 0.000 0.990 302 Y HN 0.243 nan 8.280 nan 0.000 0.537 303 L N -0.247 120.803 121.223 -0.289 0.000 2.012 303 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 303 L C 2.039 178.701 176.870 -0.347 0.000 1.073 303 L CA 2.347 56.949 54.840 -0.396 0.000 0.748 303 L CB -0.788 40.945 42.059 -0.543 0.000 0.891 303 L HN 0.327 nan 8.230 nan 0.000 0.431 304 H N -1.895 116.967 119.070 -0.346 0.000 2.512 304 H HA 0.027 4.582 4.556 -0.001 0.000 0.279 304 H C 2.276 177.353 175.328 -0.418 0.000 0.999 304 H CA 0.705 56.513 56.048 -0.401 0.000 1.283 304 H CB 0.179 29.721 29.762 -0.366 0.000 1.421 304 H HN 0.550 nan 8.280 nan 0.000 0.554 305 S N 1.099 116.559 115.700 -0.401 0.000 2.406 305 S HA -0.124 4.345 4.470 -0.001 0.000 0.224 305 S C 2.042 176.520 174.600 -0.204 0.000 1.030 305 S CA 0.415 58.392 58.200 -0.372 0.000 0.958 305 S CB -0.014 62.810 63.200 -0.626 0.000 0.811 305 S HN 0.500 nan 8.310 nan 0.000 0.489 306 R N 0.593 120.929 120.500 -0.273 0.000 2.148 306 R HA 0.185 4.525 4.340 -0.001 0.000 0.223 306 R C 2.198 178.446 176.300 -0.086 0.000 1.088 306 R CA 0.869 56.848 56.100 -0.201 0.000 0.985 306 R CB -0.736 29.296 30.300 -0.446 0.000 0.880 306 R HN 0.393 nan 8.270 nan 0.000 0.451 307 L N 1.459 122.635 121.223 -0.078 0.000 1.976 307 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 307 L C 2.036 178.812 176.870 -0.156 0.000 1.071 307 L CA 1.751 56.509 54.840 -0.137 0.000 0.746 307 L CB -0.397 41.383 42.059 -0.466 0.000 0.890 307 L HN 0.242 nan 8.230 nan 0.000 0.432 308 L N -0.668 120.446 121.223 -0.182 0.000 2.313 308 L HA -0.041 4.298 4.340 -0.001 0.000 0.214 308 L C 2.391 179.240 176.870 -0.035 0.000 1.119 308 L CA 0.438 55.210 54.840 -0.113 0.000 0.809 308 L CB -0.643 41.333 42.059 -0.138 0.000 0.933 308 L HN 0.282 nan 8.230 nan 0.000 0.449 309 E N 0.527 120.708 120.200 -0.031 0.000 2.338 309 E HA -0.160 4.189 4.350 -0.001 0.000 0.197 309 E C 2.143 178.755 176.600 0.021 0.000 1.007 309 E CA 0.658 57.062 56.400 0.005 0.000 0.849 309 E CB 0.012 29.722 29.700 0.017 0.000 0.774 309 E HN 0.500 nan 8.360 nan 0.000 0.506 310 R N 0.672 121.186 120.500 0.023 0.000 2.148 310 R HA 0.042 4.382 4.340 -0.001 0.000 0.223 310 R C 1.057 177.388 176.300 0.052 0.000 1.088 310 R CA 0.567 56.692 56.100 0.042 0.000 0.985 310 R CB -0.079 30.255 30.300 0.057 0.000 0.880 310 R HN -0.065 nan 8.270 nan 0.000 0.451 311 A N 1.293 124.147 122.820 0.058 0.000 2.491 311 A HA 0.514 4.833 4.320 -0.001 0.000 0.261 311 A C -0.105 177.506 177.584 0.045 0.000 1.101 311 A CA 0.356 52.429 52.037 0.061 0.000 0.772 311 A CB 0.155 19.196 19.000 0.069 0.000 1.043 311 A HN 0.357 nan 8.150 nan 0.000 0.501 312 A N 2.411 125.258 122.820 0.045 0.000 2.566 312 A HA 0.723 5.042 4.320 -0.001 0.000 0.290 312 A C -0.882 176.729 177.584 0.046 0.000 1.071 312 A CA -0.690 51.371 52.037 0.040 0.000 0.658 312 A CB 0.970 19.991 19.000 0.035 0.000 1.285 312 A HN 0.998 nan 8.150 nan 0.000 0.427 313 K N 1.320 121.748 120.400 0.047 0.000 2.483 313 K HA 0.671 4.991 4.320 -0.001 0.000 0.256 313 K C -1.181 175.450 176.600 0.052 0.000 0.961 313 K CA -0.285 56.038 56.287 0.061 0.000 0.873 313 K CB 0.335 32.879 32.500 0.073 0.000 1.107 313 K HN 0.617 nan 8.250 nan 0.000 0.432 314 L N 2.639 123.886 121.223 0.040 0.000 2.466 314 L HA 0.297 4.637 4.340 -0.001 0.000 0.257 314 L C 0.757 177.644 176.870 0.028 0.000 1.189 314 L CA -0.536 54.317 54.840 0.021 0.000 0.813 314 L CB 1.035 43.091 42.059 -0.005 0.000 1.118 314 L HN 0.874 nan 8.230 nan 0.000 0.471 315 S N -0.258 115.451 115.700 0.015 0.000 2.634 315 S HA 0.098 4.567 4.470 -0.001 0.000 0.261 315 S C 0.794 175.399 174.600 0.008 0.000 1.271 315 S CA -0.588 57.620 58.200 0.013 0.000 0.985 315 S CB 1.096 64.298 63.200 0.004 0.000 0.968 315 S HN 0.662 nan 8.310 nan 0.000 0.568 316 E N 0.609 120.812 120.200 0.006 0.000 2.058 316 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 316 E C 1.961 178.556 176.600 -0.008 0.000 0.997 316 E CA 1.296 57.698 56.400 0.002 0.000 0.801 316 E CB -0.203 29.497 29.700 -0.000 0.000 0.746 316 E HN 0.738 nan 8.360 nan 0.000 0.450 317 K N 0.594 120.988 120.400 -0.009 0.000 2.218 317 K HA -0.180 4.140 4.320 -0.001 0.000 0.205 317 K C 1.023 177.610 176.600 -0.021 0.000 1.046 317 K CA 1.167 57.446 56.287 -0.014 0.000 0.933 317 K CB 0.209 32.702 32.500 -0.011 0.000 0.728 317 K HN 0.002 nan 8.250 nan 0.000 0.454 318 E N -0.910 119.276 120.200 -0.023 0.000 2.451 318 E HA 0.083 4.433 4.350 -0.001 0.000 0.194 318 E C 0.616 177.186 176.600 -0.051 0.000 1.027 318 E CA 0.527 56.905 56.400 -0.036 0.000 0.914 318 E CB 1.021 30.703 29.700 -0.030 0.000 1.054 318 E HN 0.518 nan 8.360 nan 0.000 0.461 319 G N 1.530 110.304 108.800 -0.042 0.000 2.143 319 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.249 319 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.249 319 G C 0.613 175.482 174.900 -0.051 0.000 0.981 319 G CA 0.419 45.487 45.100 -0.053 0.000 0.665 319 G HN 0.157 nan 8.290 nan 0.000 0.528 320 S N -1.998 113.689 115.700 -0.021 0.000 3.257 320 S HA -0.182 4.288 4.470 -0.001 0.000 0.300 320 S C 1.761 176.349 174.600 -0.020 0.000 1.275 320 S CA 1.653 59.865 58.200 0.021 0.000 1.023 320 S CB -1.470 61.772 63.200 0.069 0.000 1.180 320 S HN 2.251 nan 8.310 nan 0.000 0.660 321 G N 1.138 109.865 108.800 -0.122 0.000 2.636 321 G HA2 0.502 4.461 3.960 -0.001 0.000 0.246 321 G HA3 0.502 4.461 3.960 -0.001 0.000 0.246 321 G C -0.043 174.807 174.900 -0.083 0.000 1.216 321 G CA 0.409 45.357 45.100 -0.253 0.000 0.854 321 G HN 1.205 nan 8.290 nan 0.000 0.572 322 S N -0.793 114.888 115.700 -0.031 0.000 2.579 322 S HA 0.686 5.155 4.470 -0.001 0.000 0.272 322 S C -1.399 173.265 174.600 0.107 0.000 1.141 322 S CA -0.848 57.421 58.200 0.116 0.000 0.843 322 S CB 2.042 65.392 63.200 0.250 0.000 1.122 322 S HN 1.141 nan 8.310 nan 0.000 0.468 323 L N 1.240 122.513 121.223 0.084 0.000 2.436 323 L HA 0.808 5.148 4.340 -0.001 0.000 0.268 323 L C -1.020 175.880 176.870 0.050 0.000 0.974 323 L CA 0.215 55.100 54.840 0.075 0.000 0.826 323 L CB 2.163 44.270 42.059 0.079 0.000 1.291 323 L HN 0.930 nan 8.230 nan 0.000 0.406 324 T N 4.048 118.619 114.554 0.028 0.000 2.824 324 T HA 0.860 5.209 4.350 -0.001 0.000 0.282 324 T C -0.759 173.938 174.700 -0.005 0.000 0.993 324 T CA -0.282 61.822 62.100 0.007 0.000 0.967 324 T CB 1.553 70.410 68.868 -0.018 0.000 0.960 324 T HN 0.818 nan 8.240 nan 0.000 0.441 325 A N 3.343 126.172 122.820 0.015 0.000 2.331 325 A HA 0.782 5.101 4.320 -0.001 0.000 0.320 325 A C -0.537 177.055 177.584 0.012 0.000 1.138 325 A CA -0.667 51.388 52.037 0.030 0.000 0.790 325 A CB 0.501 19.600 19.000 0.165 0.000 1.206 325 A HN 0.856 nan 8.150 nan 0.000 0.470 326 L N 4.618 125.825 121.223 -0.026 0.000 2.506 326 L HA 0.308 4.647 4.340 -0.001 0.000 0.247 326 L C -2.240 174.631 176.870 0.001 0.000 1.141 326 L CA -1.749 53.078 54.840 -0.020 0.000 0.973 326 L CB 1.158 43.196 42.059 -0.036 0.000 1.319 326 L HN 0.484 nan 8.230 nan 0.000 0.455 327 P HA 0.087 nan 4.420 nan 0.000 0.271 327 P C -0.432 176.836 177.300 -0.053 0.000 1.218 327 P CA -0.010 63.118 63.100 0.046 0.000 0.780 327 P CB 1.822 33.483 31.700 -0.064 0.000 0.901 328 V N 4.352 124.222 119.914 -0.073 0.000 2.628 328 V HA 0.451 4.571 4.120 -0.001 0.000 0.306 328 V C 0.344 176.366 176.094 -0.119 0.000 1.045 328 V CA -0.617 61.629 62.300 -0.090 0.000 0.905 328 V CB 1.878 33.662 31.823 -0.064 0.000 0.997 328 V HN 0.427 nan 8.190 nan 0.000 0.436 329 I N 3.111 123.607 120.570 -0.123 0.000 2.582 329 I HA 0.436 4.606 4.170 -0.001 0.000 0.292 329 I C -0.247 175.816 176.117 -0.090 0.000 1.066 329 I CA -0.420 60.809 61.300 -0.119 0.000 1.053 329 I CB 2.220 40.134 38.000 -0.144 0.000 1.241 329 I HN 0.768 nan 8.210 nan 0.000 0.421 330 E N 4.743 124.911 120.200 -0.053 0.000 2.113 330 E HA 0.391 4.741 4.350 -0.001 0.000 0.273 330 E C -0.418 176.177 176.600 -0.008 0.000 0.924 330 E CA -0.393 55.989 56.400 -0.029 0.000 0.764 330 E CB 1.200 30.896 29.700 -0.007 0.000 1.104 330 E HN 0.713 nan 8.360 nan 0.000 0.406 331 T N 1.877 116.427 114.554 -0.006 0.000 2.788 331 T HA 0.287 4.637 4.350 -0.001 0.000 0.280 331 T C 0.029 174.754 174.700 0.042 0.000 0.984 331 T CA -0.884 61.233 62.100 0.028 0.000 0.972 331 T CB 1.268 70.164 68.868 0.046 0.000 1.039 331 T HN 0.366 nan 8.240 nan 0.000 0.530 332 Q N 0.195 120.029 119.800 0.057 0.000 2.327 332 Q HA 0.479 4.819 4.340 -0.001 0.000 0.270 332 Q C 0.748 176.784 176.000 0.061 0.000 1.022 332 Q CA -0.123 55.714 55.803 0.057 0.000 0.773 332 Q CB 1.412 30.188 28.738 0.062 0.000 1.251 332 Q HN 1.326 nan 8.270 nan 0.000 0.457 333 G N 1.594 110.428 108.800 0.057 0.000 2.221 333 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.265 333 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.265 333 G C 0.810 175.751 174.900 0.068 0.000 1.041 333 G CA 0.702 45.837 45.100 0.058 0.000 0.807 333 G HN 1.306 nan 8.290 nan 0.000 0.502 334 G N -0.782 108.067 108.800 0.081 0.000 2.184 334 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.264 334 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.264 334 G C 0.306 175.278 174.900 0.120 0.000 0.975 334 G CA 1.016 46.180 45.100 0.107 0.000 0.642 334 G HN 1.535 nan 8.290 nan 0.000 0.536 335 D N 0.914 121.373 120.400 0.099 0.000 2.470 335 D HA 0.370 5.010 4.640 -0.001 0.000 0.226 335 D C 1.781 178.152 176.300 0.119 0.000 1.196 335 D CA 0.320 54.378 54.000 0.097 0.000 0.979 335 D CB 0.478 41.326 40.800 0.080 0.000 1.059 335 D HN 0.675 nan 8.370 nan 0.000 0.515 336 V N 1.118 121.128 119.914 0.160 0.000 3.630 336 V HA 0.104 4.224 4.120 -0.001 0.000 0.273 336 V C 1.258 177.443 176.094 0.151 0.000 1.248 336 V CA 0.401 62.823 62.300 0.203 0.000 1.170 336 V CB -0.103 31.972 31.823 0.420 0.000 0.899 336 V HN 0.289 nan 8.190 nan 0.000 0.457 337 S N 0.476 116.245 115.700 0.115 0.000 2.556 337 S HA 0.610 5.079 4.470 -0.001 0.000 0.216 337 S C 1.221 175.883 174.600 0.103 0.000 0.970 337 S CA 0.344 58.602 58.200 0.098 0.000 0.912 337 S CB 0.144 63.388 63.200 0.074 0.000 0.790 337 S HN 0.901 nan 8.310 nan 0.000 0.504 338 A N 0.560 123.447 122.820 0.111 0.000 2.267 338 A HA 0.433 4.753 4.320 -0.001 0.000 0.271 338 A C 0.894 178.587 177.584 0.182 0.000 1.131 338 A CA -0.174 51.942 52.037 0.132 0.000 0.818 338 A CB -0.210 18.863 19.000 0.121 0.000 1.118 338 A HN 0.311 nan 8.150 nan 0.000 0.501 339 Y N -0.022 120.293 120.300 0.026 0.000 2.109 339 Y HA -0.161 4.389 4.550 -0.001 0.000 0.285 339 Y C 1.971 177.860 175.900 -0.018 0.000 1.131 339 Y CA 1.910 60.011 58.100 0.002 0.000 1.121 339 Y CB -0.339 38.111 38.460 -0.016 0.000 0.987 339 Y HN 0.419 nan 8.280 nan 0.000 0.495 340 I N 0.943 121.428 120.570 -0.142 0.000 2.202 340 I HA -0.156 4.014 4.170 -0.001 0.000 0.242 340 I C -0.406 175.667 176.117 -0.073 0.000 1.091 340 I CA 1.152 62.305 61.300 -0.245 0.000 1.368 340 I CB -2.856 34.991 38.000 -0.255 0.000 1.058 340 I HN 0.156 nan 8.210 nan 0.000 0.410 341 P HA -0.119 nan 4.420 nan 0.000 0.216 341 P C 1.809 179.134 177.300 0.042 0.000 1.153 341 P CA 1.726 64.826 63.100 -0.001 0.000 0.858 341 P CB -0.261 31.455 31.700 0.026 0.000 0.789 342 T N -0.694 113.910 114.554 0.084 0.000 2.746 342 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 342 T C 1.659 176.433 174.700 0.123 0.000 1.039 342 T CA 1.478 63.644 62.100 0.111 0.000 1.142 342 T CB -0.906 68.046 68.868 0.139 0.000 0.866 342 T HN 0.104 nan 8.240 nan 0.000 0.444 343 N N 0.909 119.686 118.700 0.129 0.000 2.043 343 N HA -0.086 4.654 4.740 -0.001 0.000 0.193 343 N C 1.942 177.573 175.510 0.201 0.000 1.037 343 N CA 0.978 54.169 53.050 0.234 0.000 0.851 343 N CB -0.846 37.746 38.487 0.176 0.000 1.027 343 N HN 0.213 nan 8.380 nan 0.000 0.422 344 V N 1.347 121.299 119.914 0.063 0.000 2.379 344 V HA -0.103 4.017 4.120 -0.001 0.000 0.245 344 V C 2.217 178.320 176.094 0.014 0.000 1.044 344 V CA 0.959 63.249 62.300 -0.017 0.000 1.036 344 V CB -0.439 31.297 31.823 -0.144 0.000 0.664 344 V HN 0.229 nan 8.190 nan 0.000 0.453 345 I N 1.373 121.963 120.570 0.032 0.000 2.315 345 I HA -0.275 3.894 4.170 -0.001 0.000 0.251 345 I C 2.581 178.746 176.117 0.080 0.000 1.125 345 I CA 2.010 63.341 61.300 0.053 0.000 1.392 345 I CB -0.392 37.657 38.000 0.081 0.000 1.065 345 I HN 0.496 nan 8.210 nan 0.000 0.424 346 S N 0.336 116.106 115.700 0.117 0.000 2.496 346 S HA 0.036 4.505 4.470 -0.001 0.000 0.224 346 S C 1.836 176.533 174.600 0.163 0.000 0.996 346 S CA 0.333 58.616 58.200 0.140 0.000 0.927 346 S CB -0.372 62.924 63.200 0.160 0.000 0.774 346 S HN 0.424 nan 8.310 nan 0.000 0.524 347 I N 2.281 122.940 120.570 0.147 0.000 2.277 347 I HA -0.017 4.152 4.170 -0.001 0.000 0.243 347 I C 1.690 177.835 176.117 0.046 0.000 1.094 347 I CA 0.898 62.255 61.300 0.094 0.000 1.393 347 I CB -0.841 37.159 38.000 0.000 0.000 1.078 347 I HN 0.404 nan 8.210 nan 0.000 0.417 348 T N -1.508 113.060 114.554 0.023 0.000 2.726 348 T HA 0.050 4.400 4.350 -0.001 0.000 0.294 348 T C 0.383 175.099 174.700 0.028 0.000 1.013 348 T CA -0.443 61.663 62.100 0.011 0.000 0.996 348 T CB 0.567 69.431 68.868 -0.007 0.000 1.016 348 T HN 0.074 nan 8.240 nan 0.000 0.529 349 D N 0.401 120.815 120.400 0.023 0.000 2.460 349 D HA 0.402 5.041 4.640 -0.001 0.000 0.229 349 D C 0.855 177.174 176.300 0.030 0.000 1.170 349 D CA 0.232 54.249 54.000 0.028 0.000 0.827 349 D CB -0.209 40.606 40.800 0.024 0.000 0.973 349 D HN 0.957 nan 8.370 nan 0.000 0.496 350 G N 0.365 109.185 108.800 0.033 0.000 2.333 350 G HA2 0.213 4.172 3.960 -0.001 0.000 0.330 350 G HA3 0.213 4.172 3.960 -0.001 0.000 0.330 350 G C -1.784 173.137 174.900 0.035 0.000 1.465 350 G CA -0.988 44.137 45.100 0.042 0.000 0.996 350 G HN -0.003 nan 8.290 nan 0.000 0.655 351 Q N -0.942 118.893 119.800 0.058 0.000 2.421 351 Q HA 0.778 5.117 4.340 -0.001 0.000 0.280 351 Q C -0.543 175.494 176.000 0.062 0.000 1.085 351 Q CA -0.571 55.252 55.803 0.033 0.000 0.807 351 Q CB 2.661 31.432 28.738 0.055 0.000 1.405 351 Q HN 0.659 nan 8.270 nan 0.000 0.419 352 I N 1.447 122.016 120.570 -0.002 0.000 2.378 352 I HA 0.428 4.597 4.170 -0.001 0.000 0.291 352 I C -1.052 175.043 176.117 -0.037 0.000 0.992 352 I CA -0.566 60.755 61.300 0.035 0.000 1.154 352 I CB 0.880 38.888 38.000 0.013 0.000 1.315 352 I HN 0.453 nan 8.210 nan 0.000 0.448 353 F N 6.832 126.793 119.950 0.019 0.000 2.402 353 F HA 0.534 5.060 4.527 -0.001 0.000 0.355 353 F C -0.421 175.395 175.800 0.026 0.000 1.123 353 F CA -0.385 57.628 58.000 0.021 0.000 1.021 353 F CB 1.062 40.077 39.000 0.024 0.000 1.160 353 F HN 0.155 nan 8.300 nan 0.000 0.451 354 L N 4.498 125.810 121.223 0.149 0.000 2.325 354 L HA 0.581 4.920 4.340 -0.001 0.000 0.278 354 L C -0.751 176.216 176.870 0.162 0.000 1.023 354 L CA -0.652 54.266 54.840 0.130 0.000 0.811 354 L CB 1.900 43.985 42.059 0.044 0.000 1.249 354 L HN 0.512 nan 8.230 nan 0.000 0.431 355 E N 0.652 120.936 120.200 0.140 0.000 2.290 355 E HA 0.350 4.699 4.350 -0.001 0.000 0.274 355 E C 0.064 176.725 176.600 0.102 0.000 0.889 355 E CA -0.519 55.957 56.400 0.126 0.000 0.760 355 E CB 2.228 32.010 29.700 0.137 0.000 1.206 355 E HN 0.695 nan 8.360 nan 0.000 0.419 356 A N 2.792 125.656 122.820 0.074 0.000 1.903 356 A HA -0.310 4.009 4.320 -0.001 0.000 0.219 356 A C 1.949 179.642 177.584 0.182 0.000 1.191 356 A CA 2.326 54.406 52.037 0.072 0.000 0.638 356 A CB -0.421 18.669 19.000 0.151 0.000 0.823 356 A HN 0.836 nan 8.150 nan 0.000 0.451 357 E N -0.262 120.054 120.200 0.193 0.000 2.070 357 E HA -0.210 4.140 4.350 -0.001 0.000 0.197 357 E C 1.941 178.647 176.600 0.178 0.000 1.004 357 E CA 1.479 58.001 56.400 0.204 0.000 0.805 357 E CB -0.254 29.527 29.700 0.136 0.000 0.744 357 E HN 0.650 nan 8.360 nan 0.000 0.451 358 L N -0.061 121.243 121.223 0.135 0.000 2.141 358 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 358 L C 2.420 179.337 176.870 0.079 0.000 1.094 358 L CA 0.773 55.675 54.840 0.103 0.000 0.763 358 L CB -0.429 41.686 42.059 0.093 0.000 0.908 358 L HN 0.204 nan 8.230 nan 0.000 0.437 359 F N 0.112 120.003 119.950 -0.098 0.000 2.051 359 F HA -0.288 4.238 4.527 -0.002 0.000 0.296 359 F C 2.285 177.947 175.800 -0.230 0.000 1.122 359 F CA 1.668 59.528 58.000 -0.234 0.000 1.201 359 F CB -0.322 38.415 39.000 -0.438 0.000 0.978 359 F HN -0.055 nan 8.300 nan 0.000 0.472 360 Y N 0.265 120.734 120.300 0.281 0.000 2.497 360 Y HA -0.080 4.470 4.550 0.000 0.000 0.292 360 Y C 2.160 178.096 175.900 0.059 0.000 1.137 360 Y CA 0.921 59.118 58.100 0.162 0.000 1.285 360 Y CB -0.769 37.790 38.460 0.165 0.000 0.991 360 Y HN 0.063 nan 8.280 nan 0.000 0.556 361 K N -0.908 119.584 120.400 0.152 0.000 2.418 361 K HA 0.121 4.440 4.320 -0.001 0.000 0.195 361 K C 1.266 177.884 176.600 0.031 0.000 1.035 361 K CA 0.774 57.117 56.287 0.094 0.000 1.003 361 K CB 0.015 32.566 32.500 0.086 0.000 0.793 361 K HN 0.435 nan 8.250 nan 0.000 0.494 362 G N 1.237 110.014 108.800 -0.039 0.000 2.192 362 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.193 362 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.193 362 G C 0.061 174.888 174.900 -0.121 0.000 0.999 362 G CA -0.500 44.544 45.100 -0.095 0.000 0.659 362 G HN 0.166 nan 8.290 nan 0.000 0.503 363 I N 1.600 122.110 120.570 -0.101 0.000 2.291 363 I HA 0.495 4.664 4.170 -0.001 0.000 0.292 363 I C 0.424 176.466 176.117 -0.124 0.000 1.064 363 I CA -0.260 61.000 61.300 -0.068 0.000 1.269 363 I CB 0.745 38.747 38.000 0.003 0.000 1.418 363 I HN 0.032 nan 8.210 nan 0.000 0.485 364 R N 7.184 127.601 120.500 -0.139 0.000 2.515 364 R HA 0.393 4.732 4.340 -0.001 0.000 0.291 364 R C -2.705 173.551 176.300 -0.073 0.000 1.046 364 R CA -1.739 54.266 56.100 -0.158 0.000 0.914 364 R CB 1.953 32.055 30.300 -0.329 0.000 1.191 364 R HN 0.268 nan 8.270 nan 0.000 0.435 365 P HA -0.057 nan 4.420 nan 0.000 0.266 365 P C -0.384 176.939 177.300 0.038 0.000 1.193 365 P CA -0.046 63.065 63.100 0.017 0.000 0.770 365 P CB 0.687 32.400 31.700 0.021 0.000 0.836 366 A N 4.352 127.234 122.820 0.103 0.000 3.077 366 A HA 0.216 4.535 4.320 -0.001 0.000 0.255 366 A C 0.676 178.325 177.584 0.108 0.000 1.728 366 A CA -0.365 51.740 52.037 0.113 0.000 1.383 366 A CB -1.443 17.681 19.000 0.207 0.000 1.097 366 A HN 0.449 nan 8.150 nan 0.000 0.634 367 I N 1.341 121.964 120.570 0.088 0.000 2.371 367 I HA 0.061 4.230 4.170 -0.001 0.000 0.290 367 I C 0.422 176.604 176.117 0.108 0.000 1.028 367 I CA -0.498 60.865 61.300 0.104 0.000 1.345 367 I CB 0.780 38.829 38.000 0.082 0.000 1.407 367 I HN 0.397 nan 8.210 nan 0.000 0.501 368 N N 6.487 125.271 118.700 0.140 0.000 2.402 368 N HA 0.069 4.808 4.740 -0.001 0.000 0.252 368 N C 0.678 176.235 175.510 0.080 0.000 1.118 368 N CA 0.017 53.123 53.050 0.094 0.000 0.945 368 N CB 1.426 39.949 38.487 0.059 0.000 1.147 368 N HN 0.412 nan 8.380 nan 0.000 0.495 369 V N 3.874 123.828 119.914 0.067 0.000 2.358 369 V HA -0.117 4.002 4.120 -0.001 0.000 0.246 369 V C 2.418 178.539 176.094 0.045 0.000 1.047 369 V CA 2.089 64.429 62.300 0.066 0.000 1.035 369 V CB -1.008 30.860 31.823 0.075 0.000 0.658 369 V HN 0.745 nan 8.190 nan 0.000 0.452 370 G N 0.177 108.990 108.800 0.021 0.000 2.476 370 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 370 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 370 G C 1.524 176.409 174.900 -0.024 0.000 1.164 370 G CA 1.161 46.259 45.100 -0.004 0.000 0.768 370 G HN 0.502 nan 8.290 nan 0.000 0.560 371 L N 0.522 121.705 121.223 -0.065 0.000 2.446 371 L HA 0.182 4.521 4.340 -0.001 0.000 0.219 371 L C 0.803 177.698 176.870 0.042 0.000 1.116 371 L CA -0.109 54.663 54.840 -0.113 0.000 0.844 371 L CB 0.162 41.959 42.059 -0.438 0.000 0.970 371 L HN 0.008 nan 8.230 nan 0.000 0.457 372 S N 0.566 116.321 115.700 0.092 0.000 2.475 372 S HA 0.474 4.943 4.470 -0.001 0.000 0.281 372 S C -0.263 174.397 174.600 0.099 0.000 1.198 372 S CA -0.542 57.750 58.200 0.153 0.000 1.063 372 S CB 1.580 64.872 63.200 0.154 0.000 0.972 372 S HN 0.076 nan 8.310 nan 0.000 0.486 373 V N 1.153 121.126 119.914 0.099 0.000 2.789 373 V HA 0.868 4.988 4.120 -0.001 0.000 0.311 373 V C -0.280 175.848 176.094 0.057 0.000 1.073 373 V CA -0.784 61.557 62.300 0.069 0.000 0.921 373 V CB 1.801 33.662 31.823 0.064 0.000 1.009 373 V HN 0.662 nan 8.190 nan 0.000 0.426 374 S N 3.262 118.988 115.700 0.043 0.000 2.449 374 S HA 0.566 5.036 4.470 -0.001 0.000 0.310 374 S C 0.573 175.190 174.600 0.030 0.000 1.096 374 S CA -0.694 57.526 58.200 0.032 0.000 1.095 374 S CB 1.764 64.978 63.200 0.023 0.000 1.007 374 S HN 0.863 nan 8.310 nan 0.000 0.474 375 R N 2.902 123.419 120.500 0.028 0.000 2.112 375 R HA 0.084 4.423 4.340 -0.001 0.000 0.216 375 R C 1.865 178.180 176.300 0.025 0.000 1.080 375 R CA 0.900 57.017 56.100 0.029 0.000 0.996 375 R CB -0.357 29.962 30.300 0.031 0.000 0.902 375 R HN 0.616 nan 8.270 nan 0.000 0.449 376 V N 0.871 120.798 119.914 0.021 0.000 2.453 376 V HA -0.206 3.913 4.120 -0.001 0.000 0.252 376 V C 1.780 177.885 176.094 0.018 0.000 1.068 376 V CA 1.731 64.042 62.300 0.018 0.000 1.070 376 V CB -1.248 30.581 31.823 0.011 0.000 0.664 376 V HN 0.703 nan 8.190 nan 0.000 0.461 377 G N 0.823 109.633 108.800 0.017 0.000 2.652 377 G HA2 -0.456 3.503 3.960 -0.001 0.000 0.318 377 G HA3 -0.456 3.503 3.960 -0.001 0.000 0.318 377 G C 1.182 176.090 174.900 0.014 0.000 1.295 377 G CA 1.662 46.773 45.100 0.018 0.000 0.999 377 G HN 1.086 nan 8.290 nan 0.000 0.548 378 S N 0.457 116.167 115.700 0.017 0.000 2.561 378 S HA 0.397 4.866 4.470 -0.001 0.000 0.225 378 S C 2.499 177.107 174.600 0.014 0.000 0.977 378 S CA 1.243 59.452 58.200 0.015 0.000 0.926 378 S CB -0.134 63.077 63.200 0.019 0.000 0.769 378 S HN 1.952 nan 8.310 nan 0.000 0.533 379 A N 1.364 124.195 122.820 0.019 0.000 2.024 379 A HA 0.391 4.711 4.320 -0.001 0.000 0.220 379 A C 1.760 179.358 177.584 0.023 0.000 1.164 379 A CA 1.312 53.365 52.037 0.028 0.000 0.643 379 A CB -0.748 18.273 19.000 0.034 0.000 0.806 379 A HN 1.144 nan 8.150 nan 0.000 0.451 380 A N -0.960 121.859 122.820 -0.001 0.000 3.105 380 A HA 0.560 4.880 4.320 -0.001 0.000 0.297 380 A C -0.091 177.465 177.584 -0.046 0.000 0.977 380 A CA -0.226 51.789 52.037 -0.037 0.000 1.020 380 A CB 0.010 18.982 19.000 -0.046 0.000 1.098 380 A HN 0.452 nan 8.150 nan 0.000 0.497 381 Q N 0.452 120.234 119.800 -0.030 0.000 2.359 381 Q HA 0.518 4.857 4.340 -0.001 0.000 0.274 381 Q C -1.238 174.750 176.000 -0.021 0.000 1.074 381 Q CA -0.586 55.202 55.803 -0.024 0.000 0.810 381 Q CB 2.565 31.300 28.738 -0.005 0.000 1.342 381 Q HN 0.208 nan 8.270 nan 0.000 0.427 382 V N 4.932 124.833 119.914 -0.021 0.000 2.617 382 V HA -0.093 4.026 4.120 -0.001 0.000 0.304 382 V C 1.318 177.414 176.094 0.003 0.000 1.040 382 V CA 0.303 62.596 62.300 -0.010 0.000 1.149 382 V CB 0.590 32.413 31.823 0.001 0.000 0.914 382 V HN 0.809 nan 8.190 nan 0.000 0.487 383 K N 4.096 124.499 120.400 0.004 0.000 2.063 383 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 383 K C 2.222 178.831 176.600 0.015 0.000 1.048 383 K CA 1.645 57.938 56.287 0.010 0.000 0.928 383 K CB -0.720 31.786 32.500 0.010 0.000 0.713 383 K HN 0.827 nan 8.250 nan 0.000 0.442 384 A N 1.578 124.405 122.820 0.011 0.000 1.892 384 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 384 A C 2.210 179.810 177.584 0.026 0.000 1.188 384 A CA 1.544 53.588 52.037 0.012 0.000 0.631 384 A CB -0.635 18.366 19.000 0.001 0.000 0.822 384 A HN 0.197 nan 8.150 nan 0.000 0.447 385 L N -0.170 121.068 121.223 0.025 0.000 2.056 385 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 385 L C 2.321 179.213 176.870 0.037 0.000 1.078 385 L CA 2.443 57.303 54.840 0.034 0.000 0.749 385 L CB -0.769 41.307 42.059 0.027 0.000 0.901 385 L HN 0.531 nan 8.230 nan 0.000 0.433 386 K N -0.940 119.477 120.400 0.029 0.000 2.026 386 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 386 K C 2.041 178.664 176.600 0.039 0.000 1.048 386 K CA 1.706 58.011 56.287 0.030 0.000 0.929 386 K CB -0.098 32.416 32.500 0.024 0.000 0.713 386 K HN 0.424 nan 8.250 nan 0.000 0.439 387 Q N 0.128 119.953 119.800 0.042 0.000 2.096 387 Q HA -0.198 4.142 4.340 -0.001 0.000 0.208 387 Q C 2.148 178.194 176.000 0.078 0.000 0.993 387 Q CA 2.443 58.279 55.803 0.055 0.000 0.862 387 Q CB -0.237 28.532 28.738 0.052 0.000 0.915 387 Q HN 0.412 nan 8.270 nan 0.000 0.416 388 V N -2.601 117.370 119.914 0.095 0.000 2.488 388 V HA 0.122 4.241 4.120 -0.001 0.000 0.246 388 V C 1.369 177.502 176.094 0.065 0.000 1.046 388 V CA 1.099 63.480 62.300 0.134 0.000 1.053 388 V CB -0.693 31.241 31.823 0.185 0.000 0.679 388 V HN 0.207 nan 8.190 nan 0.000 0.458 389 A N 1.317 124.167 122.820 0.049 0.000 3.118 389 A HA 0.635 4.954 4.320 -0.001 0.000 0.256 389 A C 1.620 179.220 177.584 0.027 0.000 1.667 389 A CA 0.439 52.493 52.037 0.028 0.000 1.338 389 A CB -1.016 18.003 19.000 0.032 0.000 1.127 389 A HN 0.555 nan 8.150 nan 0.000 0.634 390 G N 0.724 109.537 108.800 0.022 0.000 2.844 390 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.211 390 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.211 390 G C 1.167 176.088 174.900 0.034 0.000 1.368 390 G CA 1.321 46.436 45.100 0.026 0.000 0.815 390 G HN 0.605 nan 8.290 nan 0.000 0.649 391 S N 0.568 116.292 115.700 0.039 0.000 2.574 391 S HA 0.194 4.663 4.470 -0.001 0.000 0.242 391 S C 1.537 176.199 174.600 0.105 0.000 0.982 391 S CA -0.409 57.835 58.200 0.072 0.000 0.977 391 S CB 0.719 63.973 63.200 0.091 0.000 0.814 391 S HN 0.294 nan 8.310 nan 0.000 0.464 392 L N 2.566 123.828 121.223 0.064 0.000 2.089 392 L HA -0.096 4.243 4.340 -0.001 0.000 0.213 392 L C 2.021 178.973 176.870 0.137 0.000 1.079 392 L CA 1.930 56.813 54.840 0.073 0.000 0.758 392 L CB -0.426 41.648 42.059 0.025 0.000 0.891 392 L HN 0.195 nan 8.230 nan 0.000 0.433 393 K N -0.923 119.539 120.400 0.104 0.000 2.001 393 K HA -0.124 4.196 4.320 -0.001 0.000 0.208 393 K C 2.163 178.830 176.600 0.112 0.000 1.048 393 K CA 1.692 58.039 56.287 0.099 0.000 0.932 393 K CB -0.249 32.293 32.500 0.070 0.000 0.715 393 K HN 0.369 nan 8.250 nan 0.000 0.437 394 L N 0.125 121.412 121.223 0.107 0.000 2.042 394 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 394 L C 2.402 179.340 176.870 0.113 0.000 1.076 394 L CA 1.219 56.114 54.840 0.091 0.000 0.749 394 L CB -0.435 41.671 42.059 0.078 0.000 0.893 394 L HN 0.193 nan 8.230 nan 0.000 0.432 395 F N 0.519 120.488 119.950 0.031 0.000 2.095 395 F HA -0.255 4.271 4.527 -0.001 0.000 0.298 395 F C 2.236 178.082 175.800 0.076 0.000 1.104 395 F CA 1.570 59.593 58.000 0.039 0.000 1.232 395 F CB -0.182 38.828 39.000 0.016 0.000 0.987 395 F HN -0.113 nan 8.300 nan 0.000 0.475 396 L N -0.360 121.053 121.223 0.317 0.000 2.191 396 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 396 L C 2.670 179.637 176.870 0.161 0.000 1.103 396 L CA 0.952 55.947 54.840 0.259 0.000 0.769 396 L CB -1.034 41.155 42.059 0.216 0.000 0.908 396 L HN 0.290 nan 8.230 nan 0.000 0.438 397 A N -0.432 122.434 122.820 0.076 0.000 1.897 397 A HA -0.215 4.105 4.320 -0.001 0.000 0.215 397 A C 2.188 179.743 177.584 -0.047 0.000 1.181 397 A CA 1.165 53.213 52.037 0.018 0.000 0.620 397 A CB -0.371 18.638 19.000 0.015 0.000 0.821 397 A HN 0.418 nan 8.150 nan 0.000 0.443 398 Q N -1.767 117.968 119.800 -0.109 0.000 2.112 398 Q HA -0.249 4.090 4.340 -0.001 0.000 0.206 398 Q C 1.987 177.866 176.000 -0.200 0.000 0.987 398 Q CA 2.000 57.687 55.803 -0.193 0.000 0.858 398 Q CB -0.438 28.111 28.738 -0.316 0.000 0.905 398 Q HN 0.864 nan 8.270 nan 0.000 0.420 399 Y N 1.130 121.221 120.300 -0.349 0.000 2.181 399 Y HA -0.182 4.367 4.550 -0.001 0.000 0.288 399 Y C 2.081 177.924 175.900 -0.095 0.000 1.146 399 Y CA 1.441 59.406 58.100 -0.224 0.000 1.164 399 Y CB -0.016 38.351 38.460 -0.155 0.000 0.982 399 Y HN -0.105 nan 8.280 nan 0.000 0.515 400 R N -0.051 120.306 120.500 -0.238 0.000 2.073 400 R HA -0.196 4.144 4.340 -0.001 0.000 0.234 400 R C 2.236 178.400 176.300 -0.226 0.000 1.134 400 R CA 1.658 57.584 56.100 -0.289 0.000 0.952 400 R CB -0.323 29.916 30.300 -0.101 0.000 0.850 400 R HN 0.360 nan 8.270 nan 0.000 0.433 401 E N 0.433 120.546 120.200 -0.145 0.000 2.038 401 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 401 E C 1.829 178.384 176.600 -0.074 0.000 1.000 401 E CA 1.524 57.866 56.400 -0.096 0.000 0.803 401 E CB -0.215 29.433 29.700 -0.087 0.000 0.750 401 E HN 0.030 nan 8.360 nan 0.000 0.448 402 V N 0.593 120.447 119.914 -0.099 0.000 2.407 402 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 402 V C 2.284 178.365 176.094 -0.021 0.000 1.055 402 V CA 1.860 64.147 62.300 -0.021 0.000 1.049 402 V CB -0.773 31.031 31.823 -0.031 0.000 0.662 402 V HN 0.496 nan 8.190 nan 0.000 0.455 403 A N -0.308 122.391 122.820 -0.202 0.000 1.897 403 A HA -0.030 4.290 4.320 -0.001 0.000 0.215 403 A C 2.433 179.939 177.584 -0.129 0.000 1.181 403 A CA 1.736 53.639 52.037 -0.224 0.000 0.620 403 A CB -0.728 17.985 19.000 -0.478 0.000 0.821 403 A HN 0.555 nan 8.150 nan 0.000 0.443 404 A N -0.756 121.999 122.820 -0.108 0.000 1.908 404 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 404 A C 2.038 179.630 177.584 0.014 0.000 1.181 404 A CA 1.806 53.815 52.037 -0.047 0.000 0.627 404 A CB -0.751 18.228 19.000 -0.036 0.000 0.818 404 A HN 0.770 nan 8.150 nan 0.000 0.445 405 F N 1.069 120.968 119.950 -0.087 0.000 2.060 405 F HA -0.005 4.523 4.527 0.002 0.000 0.295 405 F C 2.487 178.256 175.800 -0.053 0.000 1.120 405 F CA 1.299 59.261 58.000 -0.063 0.000 1.205 405 F CB -0.829 38.134 39.000 -0.061 0.000 0.986 405 F HN 0.227 nan 8.300 nan 0.000 0.470 406 A N 0.237 122.851 122.820 -0.343 0.000 2.084 406 A HA -0.243 4.077 4.320 -0.001 0.000 0.221 406 A C 1.971 179.367 177.584 -0.313 0.000 1.161 406 A CA 1.596 53.381 52.037 -0.419 0.000 0.653 406 A CB -0.875 18.026 19.000 -0.165 0.000 0.802 406 A HN 0.616 nan 8.150 nan 0.000 0.457 407 Q N -1.947 117.723 119.800 -0.216 0.000 2.576 407 Q HA -0.157 4.182 4.340 -0.001 0.000 0.218 407 Q C 1.560 177.462 176.000 -0.165 0.000 0.983 407 Q CA 1.426 57.139 55.803 -0.149 0.000 0.920 407 Q CB -0.905 27.775 28.738 -0.096 0.000 0.973 407 Q HN 0.915 nan 8.270 nan 0.000 0.528 408 F N -0.321 119.471 119.950 -0.264 0.000 2.804 408 F HA 0.363 4.890 4.527 -0.001 0.000 0.303 408 F C 1.709 177.385 175.800 -0.206 0.000 1.154 408 F CA 0.331 58.194 58.000 -0.229 0.000 1.401 408 F CB -0.689 38.142 39.000 -0.282 0.000 1.106 408 F HN 0.249 nan 8.300 nan 0.000 0.568 409 G N 0.292 108.974 108.800 -0.197 0.000 2.233 409 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.270 409 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.270 409 G C 0.394 175.210 174.900 -0.140 0.000 1.011 409 G CA 0.727 45.743 45.100 -0.140 0.000 0.762 409 G HN 1.271 nan 8.290 nan 0.000 0.511 410 S N 0.045 115.619 115.700 -0.210 0.000 2.646 410 S HA 0.499 4.968 4.470 -0.001 0.000 0.276 410 S C 0.514 175.049 174.600 -0.108 0.000 1.222 410 S CA 0.056 58.164 58.200 -0.153 0.000 1.014 410 S CB 0.870 63.957 63.200 -0.189 0.000 0.991 410 S HN 0.597 nan 8.310 nan 0.000 0.533 411 D N 2.246 122.620 120.400 -0.042 0.000 2.360 411 D HA 0.279 4.919 4.640 -0.001 0.000 0.242 411 D C -0.449 175.864 176.300 0.021 0.000 1.184 411 D CA -0.060 53.932 54.000 -0.013 0.000 0.930 411 D CB 0.339 41.138 40.800 -0.001 0.000 1.161 411 D HN 0.412 nan 8.370 nan 0.000 0.447 412 L N 0.185 121.426 121.223 0.030 0.000 2.350 412 L HA 0.381 4.721 4.340 -0.001 0.000 0.260 412 L C -0.317 176.583 176.870 0.049 0.000 1.015 412 L CA -1.184 53.694 54.840 0.062 0.000 0.821 412 L CB 2.070 44.164 42.059 0.059 0.000 1.370 412 L HN 0.504 nan 8.230 nan 0.000 0.416 413 D N 0.223 120.657 120.400 0.056 0.000 2.440 413 D HA 0.522 5.161 4.640 -0.001 0.000 0.258 413 D C 0.921 177.240 176.300 0.032 0.000 1.092 413 D CA -0.254 53.767 54.000 0.036 0.000 1.016 413 D CB 1.187 42.006 40.800 0.031 0.000 1.141 413 D HN 0.539 nan 8.370 nan 0.000 0.552 414 A N 0.442 123.275 122.820 0.022 0.000 1.884 414 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 414 A C 2.157 179.756 177.584 0.026 0.000 1.197 414 A CA 2.385 54.434 52.037 0.019 0.000 0.637 414 A CB -1.340 17.668 19.000 0.012 0.000 0.827 414 A HN 0.491 nan 8.150 nan 0.000 0.450 415 S N -0.630 115.084 115.700 0.023 0.000 2.353 415 S HA -0.160 4.310 4.470 -0.001 0.000 0.222 415 S C 2.191 176.810 174.600 0.032 0.000 1.035 415 S CA 2.122 60.336 58.200 0.024 0.000 1.025 415 S CB -0.696 62.510 63.200 0.010 0.000 0.902 415 S HN 0.876 nan 8.310 nan 0.000 0.440 416 T N 0.576 115.153 114.554 0.038 0.000 2.867 416 T HA 0.027 4.376 4.350 -0.001 0.000 0.268 416 T C 1.681 176.421 174.700 0.066 0.000 1.057 416 T CA 1.005 63.140 62.100 0.057 0.000 1.136 416 T CB -0.151 68.777 68.868 0.100 0.000 0.874 416 T HN 0.282 nan 8.240 nan 0.000 0.466 417 K N 0.606 121.040 120.400 0.057 0.000 2.167 417 K HA -0.060 4.259 4.320 -0.001 0.000 0.203 417 K C 2.575 179.211 176.600 0.059 0.000 1.052 417 K CA 0.896 57.215 56.287 0.054 0.000 0.956 417 K CB -0.061 32.461 32.500 0.037 0.000 0.735 417 K HN 0.277 nan 8.250 nan 0.000 0.451 418 Q N 0.452 120.286 119.800 0.058 0.000 2.046 418 Q HA -0.134 4.205 4.340 -0.001 0.000 0.200 418 Q C 1.818 177.891 176.000 0.122 0.000 0.975 418 Q CA 2.701 58.544 55.803 0.067 0.000 0.836 418 Q CB -0.431 28.341 28.738 0.056 0.000 0.896 418 Q HN 0.411 nan 8.270 nan 0.000 0.428 419 T N -1.288 113.346 114.554 0.134 0.000 2.857 419 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 419 T C 1.749 176.568 174.700 0.199 0.000 1.048 419 T CA 1.041 63.251 62.100 0.182 0.000 1.139 419 T CB -0.445 68.397 68.868 -0.043 0.000 0.874 419 T HN 0.255 nan 8.240 nan 0.000 0.455 420 L N 1.078 122.405 121.223 0.172 0.000 2.131 420 L HA 0.068 4.408 4.340 -0.001 0.000 0.210 420 L C 2.569 179.561 176.870 0.203 0.000 1.092 420 L CA 1.171 56.162 54.840 0.251 0.000 0.759 420 L CB -0.497 41.653 42.059 0.151 0.000 0.903 420 L HN 0.158 nan 8.230 nan 0.000 0.435 421 V N -0.485 119.501 119.914 0.120 0.000 2.283 421 V HA -0.244 3.875 4.120 -0.001 0.000 0.243 421 V C 2.723 178.833 176.094 0.027 0.000 1.039 421 V CA 2.007 64.342 62.300 0.058 0.000 1.016 421 V CB -0.599 31.242 31.823 0.031 0.000 0.650 421 V HN 0.459 nan 8.190 nan 0.000 0.449 422 R N 0.061 120.612 120.500 0.085 0.000 2.073 422 R HA -0.143 4.196 4.340 -0.001 0.000 0.234 422 R C 2.314 178.622 176.300 0.014 0.000 1.134 422 R CA 1.759 57.889 56.100 0.049 0.000 0.952 422 R CB -0.739 29.637 30.300 0.126 0.000 0.850 422 R HN 0.564 nan 8.270 nan 0.000 0.433 423 G N -0.096 108.747 108.800 0.071 0.000 2.422 423 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.218 423 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.218 423 G C 1.229 175.532 174.900 -0.996 0.000 1.140 423 G CA 0.499 45.337 45.100 -0.438 0.000 0.775 423 G HN 0.420 nan 8.290 nan 0.000 0.545 424 E N -0.061 119.766 120.200 -0.622 0.000 2.107 424 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 424 E C 2.664 179.152 176.600 -0.186 0.000 0.982 424 E CA 0.378 56.589 56.400 -0.315 0.000 0.809 424 E CB 0.063 29.755 29.700 -0.015 0.000 0.756 424 E HN 0.315 nan 8.360 nan 0.000 0.459 425 R N -0.222 120.181 120.500 -0.161 0.000 2.119 425 R HA 0.014 4.353 4.340 -0.001 0.000 0.222 425 R C 2.310 178.530 176.300 -0.133 0.000 1.088 425 R CA 0.596 56.618 56.100 -0.130 0.000 0.984 425 R CB -0.010 30.209 30.300 -0.135 0.000 0.884 425 R HN 0.188 nan 8.270 nan 0.000 0.447 426 L N -0.331 120.796 121.223 -0.160 0.000 2.072 426 L HA -0.138 4.202 4.340 -0.001 0.000 0.205 426 L C 2.069 178.885 176.870 -0.089 0.000 1.079 426 L CA 1.287 56.054 54.840 -0.122 0.000 0.752 426 L CB -0.442 41.545 42.059 -0.119 0.000 0.906 426 L HN 0.226 nan 8.230 nan 0.000 0.436 427 T N -1.175 113.302 114.554 -0.128 0.000 2.652 427 T HA -0.307 4.042 4.350 -0.001 0.000 0.267 427 T C 1.791 176.470 174.700 -0.034 0.000 1.039 427 T CA 1.659 63.723 62.100 -0.061 0.000 1.153 427 T CB -0.192 68.641 68.868 -0.058 0.000 0.863 427 T HN 0.193 nan 8.240 nan 0.000 0.428 428 Q N 0.561 120.333 119.800 -0.046 0.000 2.096 428 Q HA -0.067 4.272 4.340 -0.001 0.000 0.204 428 Q C 2.096 178.089 176.000 -0.012 0.000 0.982 428 Q CA 1.206 56.994 55.803 -0.025 0.000 0.850 428 Q CB -0.744 27.975 28.738 -0.031 0.000 0.901 428 Q HN 0.407 nan 8.270 nan 0.000 0.422 429 L N -0.455 120.757 121.223 -0.019 0.000 2.127 429 L HA -0.108 4.231 4.340 -0.001 0.000 0.211 429 L C 1.591 178.474 176.870 0.021 0.000 1.089 429 L CA 1.607 56.453 54.840 0.009 0.000 0.757 429 L CB -0.171 41.885 42.059 -0.004 0.000 0.899 429 L HN 0.345 nan 8.230 nan 0.000 0.434 430 L N -1.194 120.034 121.223 0.008 0.000 2.567 430 L HA 0.040 4.379 4.340 -0.001 0.000 0.225 430 L C 0.827 177.701 176.870 0.007 0.000 1.119 430 L CA -0.135 54.714 54.840 0.014 0.000 0.871 430 L CB -0.316 41.752 42.059 0.015 0.000 1.036 430 L HN 0.080 nan 8.230 nan 0.000 0.459 431 K N 1.615 122.015 120.400 -0.001 0.000 2.382 431 K HA 0.174 4.493 4.320 -0.001 0.000 0.275 431 K C -0.143 176.451 176.600 -0.010 0.000 1.009 431 K CA 0.282 56.558 56.287 -0.017 0.000 0.970 431 K CB 0.683 33.168 32.500 -0.025 0.000 0.934 431 K HN 0.002 nan 8.250 nan 0.000 0.479 432 Q N 2.410 122.195 119.800 -0.025 0.000 2.295 432 Q HA 0.151 4.490 4.340 -0.001 0.000 0.268 432 Q C -1.273 174.708 176.000 -0.033 0.000 1.010 432 Q CA -0.781 55.013 55.803 -0.015 0.000 0.856 432 Q CB 1.369 30.102 28.738 -0.008 0.000 1.349 432 Q HN 0.509 nan 8.270 nan 0.000 0.412 433 N N 2.304 120.993 118.700 -0.017 0.000 2.416 433 N HA 0.001 4.741 4.740 -0.001 0.000 0.246 433 N C -0.529 174.952 175.510 -0.048 0.000 1.260 433 N CA 0.175 53.214 53.050 -0.018 0.000 0.897 433 N CB 0.687 39.188 38.487 0.022 0.000 1.110 433 N HN 0.596 nan 8.380 nan 0.000 0.439 434 Q N 0.283 120.024 119.800 -0.097 0.000 2.394 434 Q HA -0.009 4.330 4.340 -0.001 0.000 0.248 434 Q C -0.370 175.518 176.000 -0.187 0.000 0.992 434 Q CA -0.075 55.545 55.803 -0.305 0.000 0.888 434 Q CB 0.250 28.640 28.738 -0.580 0.000 1.257 434 Q HN 0.580 nan 8.270 nan 0.000 0.462 435 Y N -0.406 119.881 120.300 -0.020 0.000 4.604 435 Y HA -0.256 4.293 4.550 -0.001 0.000 0.230 435 Y C 0.180 176.079 175.900 -0.002 0.000 1.066 435 Y CA 0.857 58.923 58.100 -0.056 0.000 1.990 435 Y CB -2.032 36.426 38.460 -0.003 0.000 1.619 435 Y HN 0.374 nan 8.280 nan 0.000 0.649 436 S N 0.632 116.382 115.700 0.083 0.000 2.384 436 S HA 0.273 4.742 4.470 -0.001 0.000 0.227 436 S C -2.288 172.333 174.600 0.035 0.000 1.257 436 S CA -0.841 57.402 58.200 0.073 0.000 1.249 436 S CB 0.655 63.892 63.200 0.062 0.000 1.018 436 S HN 0.099 nan 8.310 nan 0.000 0.478 437 P HA 0.237 nan 4.420 nan 0.000 0.276 437 P C -0.558 176.751 177.300 0.015 0.000 1.230 437 P CA -0.239 62.872 63.100 0.019 0.000 0.776 437 P CB 0.736 32.451 31.700 0.024 0.000 0.888 438 L N 1.771 123.003 121.223 0.014 0.000 2.360 438 L HA 0.627 4.966 4.340 -0.001 0.000 0.271 438 L C 0.977 177.850 176.870 0.004 0.000 1.057 438 L CA -1.145 53.697 54.840 0.003 0.000 0.803 438 L CB 1.215 43.279 42.059 0.007 0.000 1.207 438 L HN 0.377 nan 8.230 nan 0.000 0.445 439 A N 0.941 123.748 122.820 -0.021 0.000 2.313 439 A HA 0.307 4.626 4.320 -0.001 0.000 0.261 439 A C 1.111 178.701 177.584 0.010 0.000 1.090 439 A CA -0.197 51.828 52.037 -0.021 0.000 0.807 439 A CB 0.460 19.416 19.000 -0.072 0.000 1.055 439 A HN 0.852 nan 8.150 nan 0.000 0.492 440 T N 0.742 115.322 114.554 0.043 0.000 2.746 440 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 440 T C 1.724 176.429 174.700 0.008 0.000 1.039 440 T CA 1.778 63.903 62.100 0.042 0.000 1.142 440 T CB -0.197 68.712 68.868 0.069 0.000 0.866 440 T HN 0.861 nan 8.240 nan 0.000 0.444 441 E N 1.748 121.940 120.200 -0.013 0.000 2.338 441 E HA -0.158 4.191 4.350 -0.001 0.000 0.197 441 E C 1.445 178.004 176.600 -0.067 0.000 1.007 441 E CA 1.025 57.398 56.400 -0.044 0.000 0.849 441 E CB -0.235 29.430 29.700 -0.059 0.000 0.774 441 E HN 0.604 nan 8.360 nan 0.000 0.506 442 E N 0.688 120.855 120.200 -0.055 0.000 2.140 442 E HA -0.044 4.305 4.350 -0.001 0.000 0.191 442 E C 2.199 178.786 176.600 -0.021 0.000 0.973 442 E CA 0.434 56.795 56.400 -0.064 0.000 0.829 442 E CB 0.025 29.690 29.700 -0.058 0.000 0.781 442 E HN 0.347 nan 8.360 nan 0.000 0.466 443 Q N 0.655 120.459 119.800 0.006 0.000 2.046 443 Q HA -0.109 4.230 4.340 -0.001 0.000 0.200 443 Q C 2.440 178.472 176.000 0.055 0.000 0.975 443 Q CA 1.178 57.002 55.803 0.036 0.000 0.836 443 Q CB -0.092 28.668 28.738 0.036 0.000 0.896 443 Q HN 0.089 nan 8.270 nan 0.000 0.428 444 V N 1.736 121.673 119.914 0.038 0.000 2.231 444 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 444 V C -0.822 175.337 176.094 0.108 0.000 1.058 444 V CA 2.383 64.715 62.300 0.054 0.000 1.022 444 V CB -1.587 30.244 31.823 0.014 0.000 0.640 444 V HN 0.314 nan 8.190 nan 0.000 0.445 445 P HA -0.062 nan 4.420 nan 0.000 0.221 445 P C 1.799 179.336 177.300 0.395 0.000 1.150 445 P CA 1.164 64.384 63.100 0.200 0.000 0.800 445 P CB -0.011 31.696 31.700 0.012 0.000 0.787 446 L N -1.107 120.287 121.223 0.285 0.000 1.988 446 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 446 L C 2.304 179.296 176.870 0.204 0.000 1.071 446 L CA 1.226 56.246 54.840 0.300 0.000 0.744 446 L CB -1.004 41.182 42.059 0.212 0.000 0.893 446 L HN -0.103 nan 8.230 nan 0.000 0.433 447 I N -0.561 120.097 120.570 0.146 0.000 2.194 447 I HA -0.366 3.804 4.170 -0.001 0.000 0.246 447 I C 2.546 178.721 176.117 0.097 0.000 1.093 447 I CA 1.842 63.196 61.300 0.091 0.000 1.355 447 I CB -1.209 36.837 38.000 0.077 0.000 1.046 447 I HN 0.282 nan 8.210 nan 0.000 0.413 448 Y N 1.923 122.253 120.300 0.050 0.000 2.128 448 Y HA -0.239 4.311 4.550 -0.001 0.000 0.284 448 Y C 2.623 178.549 175.900 0.043 0.000 1.154 448 Y CA 2.164 60.288 58.100 0.040 0.000 1.149 448 Y CB -0.290 38.195 38.460 0.042 0.000 0.976 448 Y HN 0.124 nan 8.280 nan 0.000 0.505 449 A N -0.065 122.851 122.820 0.159 0.000 1.972 449 A HA -0.063 4.256 4.320 -0.001 0.000 0.219 449 A C 2.406 179.969 177.584 -0.035 0.000 1.169 449 A CA 1.610 53.671 52.037 0.039 0.000 0.635 449 A CB -1.619 17.423 19.000 0.070 0.000 0.810 449 A HN 0.610 nan 8.150 nan 0.000 0.446 450 G N -0.480 108.287 108.800 -0.056 0.000 2.464 450 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.214 450 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.214 450 G C 1.502 176.278 174.900 -0.205 0.000 1.218 450 G CA 1.208 46.229 45.100 -0.131 0.000 0.794 450 G HN 0.285 nan 8.290 nan 0.000 0.542 451 V N 1.798 121.580 119.914 -0.220 0.000 2.343 451 V HA -0.183 3.937 4.120 -0.001 0.000 0.247 451 V C 2.426 178.328 176.094 -0.319 0.000 1.051 451 V CA 1.813 63.930 62.300 -0.304 0.000 1.036 451 V CB -0.444 31.245 31.823 -0.223 0.000 0.654 451 V HN 0.378 nan 8.190 nan 0.000 0.451 452 N N -0.098 118.417 118.700 -0.307 0.000 2.463 452 N HA 0.033 4.773 4.740 -0.001 0.000 0.181 452 N C 1.486 176.838 175.510 -0.263 0.000 1.078 452 N CA 1.141 54.021 53.050 -0.284 0.000 0.902 452 N CB 0.845 39.104 38.487 -0.380 0.000 0.970 452 N HN 0.623 nan 8.380 nan 0.000 0.451 453 G N 0.417 109.080 108.800 -0.228 0.000 2.143 453 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.175 453 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.175 453 G C 0.275 175.022 174.900 -0.254 0.000 1.004 453 G CA -0.152 44.802 45.100 -0.242 0.000 0.671 453 G HN 0.412 nan 8.290 nan 0.000 0.512 454 H N -0.216 118.743 119.070 -0.186 0.000 2.524 454 H HA 0.316 4.871 4.556 -0.001 0.000 0.282 454 H C 2.558 177.756 175.328 -0.217 0.000 1.016 454 H CA 1.298 57.254 56.048 -0.153 0.000 1.270 454 H CB 0.135 29.834 29.762 -0.105 0.000 1.394 454 H HN 0.451 nan 8.280 nan 0.000 0.568 455 L N -0.317 120.799 121.223 -0.178 0.000 2.477 455 L HA -0.026 4.313 4.340 -0.001 0.000 0.220 455 L C 1.289 178.029 176.870 -0.216 0.000 1.106 455 L CA 0.195 54.849 54.840 -0.310 0.000 0.851 455 L CB 0.125 41.968 42.059 -0.361 0.000 0.994 455 L HN 0.147 nan 8.230 nan 0.000 0.462 456 D N 0.941 121.242 120.400 -0.165 0.000 2.239 456 D HA -0.156 4.484 4.640 -0.001 0.000 0.202 456 D C 1.630 177.870 176.300 -0.100 0.000 0.993 456 D CA 1.380 55.306 54.000 -0.122 0.000 0.874 456 D CB -0.078 40.657 40.800 -0.109 0.000 0.922 456 D HN 0.304 nan 8.370 nan 0.000 0.464 457 G N -0.431 108.306 108.800 -0.106 0.000 4.125 457 G HA2 0.437 4.397 3.960 -0.001 0.000 0.301 457 G HA3 0.437 4.397 3.960 -0.001 0.000 0.301 457 G C -0.031 174.817 174.900 -0.086 0.000 1.273 457 G CA -0.283 44.768 45.100 -0.082 0.000 1.095 457 G HN 0.107 nan 8.290 nan 0.000 0.582 458 I N -0.108 120.398 120.570 -0.107 0.000 2.533 458 I HA 0.246 4.416 4.170 -0.001 0.000 0.290 458 I C -0.008 176.061 176.117 -0.079 0.000 1.056 458 I CA -0.864 60.374 61.300 -0.103 0.000 1.057 458 I CB 2.822 40.716 38.000 -0.177 0.000 1.240 458 I HN 0.065 nan 8.210 nan 0.000 0.423 459 E N 3.660 123.832 120.200 -0.047 0.000 2.452 459 E HA -0.062 4.287 4.350 -0.001 0.000 0.261 459 E C 0.675 177.258 176.600 -0.029 0.000 0.987 459 E CA -0.135 56.247 56.400 -0.030 0.000 0.926 459 E CB 0.920 30.612 29.700 -0.014 0.000 0.934 459 E HN 0.484 nan 8.360 nan 0.000 0.452 460 L N 4.109 125.318 121.223 -0.023 0.000 2.083 460 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 460 L C 2.184 179.050 176.870 -0.006 0.000 1.083 460 L CA 2.319 57.146 54.840 -0.021 0.000 0.752 460 L CB -0.511 41.541 42.059 -0.011 0.000 0.899 460 L HN 0.676 nan 8.230 nan 0.000 0.433 461 S N -1.540 114.162 115.700 0.004 0.000 2.481 461 S HA -0.123 4.347 4.470 -0.001 0.000 0.231 461 S C 1.984 176.601 174.600 0.028 0.000 0.996 461 S CA 0.588 58.797 58.200 0.015 0.000 0.942 461 S CB -0.467 62.742 63.200 0.015 0.000 0.768 461 S HN 0.503 nan 8.310 nan 0.000 0.520 462 R N 0.070 120.588 120.500 0.030 0.000 2.317 462 R HA 0.351 4.690 4.340 -0.001 0.000 0.208 462 R C 1.341 177.701 176.300 0.100 0.000 0.914 462 R CA -0.005 56.132 56.100 0.061 0.000 1.060 462 R CB -0.080 30.253 30.300 0.056 0.000 1.015 462 R HN 0.356 nan 8.270 nan 0.000 0.498 463 I N 0.171 120.775 120.570 0.057 0.000 2.264 463 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 463 I C 2.278 178.488 176.117 0.155 0.000 1.111 463 I CA 1.538 62.879 61.300 0.069 0.000 1.382 463 I CB -1.390 36.606 38.000 -0.007 0.000 1.060 463 I HN 0.240 nan 8.210 nan 0.000 0.418 464 G N 1.763 110.629 108.800 0.111 0.000 2.459 464 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.217 464 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.217 464 G C 1.483 176.468 174.900 0.141 0.000 1.183 464 G CA 0.967 46.132 45.100 0.108 0.000 0.776 464 G HN 0.638 nan 8.290 nan 0.000 0.552 465 E N -0.625 119.661 120.200 0.144 0.000 2.268 465 E HA -0.078 4.272 4.350 -0.001 0.000 0.195 465 E C 2.084 178.813 176.600 0.215 0.000 0.995 465 E CA 0.636 57.124 56.400 0.147 0.000 0.836 465 E CB -0.434 29.338 29.700 0.119 0.000 0.763 465 E HN 0.425 nan 8.360 nan 0.000 0.491 466 F N 2.168 122.192 119.950 0.124 0.000 2.146 466 F HA -0.100 4.426 4.527 -0.001 0.000 0.298 466 F C 2.228 178.149 175.800 0.201 0.000 1.096 466 F CA 1.912 60.029 58.000 0.196 0.000 1.275 466 F CB -0.123 38.963 39.000 0.143 0.000 1.008 466 F HN 0.061 nan 8.300 nan 0.000 0.480 467 E N 0.318 120.725 120.200 0.346 0.000 2.021 467 E HA -0.276 4.073 4.350 -0.001 0.000 0.200 467 E C 2.218 178.856 176.600 0.063 0.000 1.015 467 E CA 2.480 59.014 56.400 0.225 0.000 0.824 467 E CB -0.334 29.480 29.700 0.190 0.000 0.762 467 E HN 0.523 nan 8.360 nan 0.000 0.454 468 S N -0.020 115.714 115.700 0.056 0.000 2.368 468 S HA -0.116 4.353 4.470 -0.001 0.000 0.225 468 S C 2.276 176.864 174.600 -0.021 0.000 1.030 468 S CA 1.258 59.466 58.200 0.013 0.000 0.999 468 S CB -0.271 62.948 63.200 0.033 0.000 0.844 468 S HN 0.146 nan 8.310 nan 0.000 0.459 469 S N 1.294 117.000 115.700 0.010 0.000 2.368 469 S HA 0.063 4.532 4.470 -0.001 0.000 0.224 469 S C 1.416 175.891 174.600 -0.208 0.000 1.029 469 S CA 0.928 59.155 58.200 0.046 0.000 0.988 469 S CB -0.531 62.823 63.200 0.257 0.000 0.838 469 S HN 0.517 nan 8.310 nan 0.000 0.462 470 F N 2.587 122.076 119.950 -0.767 0.000 2.134 470 F HA -0.026 4.500 4.527 -0.001 0.000 0.299 470 F C 1.755 177.223 175.800 -0.554 0.000 1.097 470 F CA 1.009 58.269 58.000 -1.234 0.000 1.264 470 F CB -0.749 37.525 39.000 -1.210 0.000 1.001 470 F HN 0.109 nan 8.300 nan 0.000 0.479 471 L N -0.967 120.018 121.223 -0.398 0.000 2.017 471 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 471 L C 2.585 179.301 176.870 -0.258 0.000 1.073 471 L CA 1.500 56.125 54.840 -0.358 0.000 0.745 471 L CB -1.118 40.821 42.059 -0.200 0.000 0.894 471 L HN 0.024 nan 8.230 nan 0.000 0.432 472 S N -1.029 114.578 115.700 -0.154 0.000 2.370 472 S HA -0.255 4.214 4.470 -0.001 0.000 0.226 472 S C 1.888 176.452 174.600 -0.060 0.000 1.033 472 S CA 1.485 59.637 58.200 -0.081 0.000 1.011 472 S CB -0.429 62.763 63.200 -0.013 0.000 0.852 472 S HN 0.423 nan 8.310 nan 0.000 0.457 473 Y N 2.041 122.223 120.300 -0.198 0.000 2.181 473 Y HA -0.077 4.472 4.550 -0.001 0.000 0.288 473 Y C 1.833 177.635 175.900 -0.164 0.000 1.146 473 Y CA 1.303 59.320 58.100 -0.138 0.000 1.164 473 Y CB -0.469 37.893 38.460 -0.164 0.000 0.982 473 Y HN 0.163 nan 8.280 nan 0.000 0.515 474 L N -0.118 120.860 121.223 -0.408 0.000 2.141 474 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 474 L C 2.328 179.003 176.870 -0.324 0.000 1.094 474 L CA 1.452 56.020 54.840 -0.453 0.000 0.763 474 L CB -0.418 41.296 42.059 -0.575 0.000 0.908 474 L HN 0.136 nan 8.230 nan 0.000 0.437 475 K N -0.800 119.444 120.400 -0.261 0.000 2.217 475 K HA -0.046 4.274 4.320 -0.001 0.000 0.202 475 K C 2.217 178.710 176.600 -0.178 0.000 1.051 475 K CA 1.033 57.206 56.287 -0.191 0.000 0.952 475 K CB 0.115 32.526 32.500 -0.148 0.000 0.736 475 K HN 0.151 nan 8.250 nan 0.000 0.453 476 S N 0.835 116.417 115.700 -0.197 0.000 2.371 476 S HA -0.003 4.466 4.470 -0.001 0.000 0.219 476 S C 1.402 175.853 174.600 -0.247 0.000 1.040 476 S CA 1.093 59.190 58.200 -0.173 0.000 0.958 476 S CB -0.069 63.064 63.200 -0.110 0.000 0.860 476 S HN 0.293 nan 8.310 nan 0.000 0.487 477 N N 0.431 118.882 118.700 -0.414 0.000 2.428 477 N HA 0.072 4.812 4.740 -0.001 0.000 0.181 477 N C 0.420 175.534 175.510 -0.660 0.000 1.028 477 N CA 0.767 53.465 53.050 -0.587 0.000 0.877 477 N CB -0.004 37.970 38.487 -0.855 0.000 1.064 477 N HN 0.330 nan 8.380 nan 0.000 0.434 478 H N 0.274 119.125 119.070 -0.364 0.000 2.539 478 H HA 0.233 4.789 4.556 -0.001 0.000 0.293 478 H C 0.430 175.623 175.328 -0.225 0.000 1.156 478 H CA -0.157 55.731 56.048 -0.267 0.000 1.012 478 H CB -0.194 29.398 29.762 -0.283 0.000 1.600 478 H HN 0.348 nan 8.280 nan 0.000 0.538 479 N N 1.214 119.826 118.700 -0.147 0.000 2.309 479 N HA -0.125 4.615 4.740 -0.001 0.000 0.182 479 N C 1.147 176.602 175.510 -0.092 0.000 1.018 479 N CA 0.618 53.592 53.050 -0.127 0.000 0.876 479 N CB 0.427 38.837 38.487 -0.128 0.000 0.972 479 N HN 0.516 nan 8.380 nan 0.000 0.434 480 E N 0.533 120.688 120.200 -0.075 0.000 2.110 480 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 480 E C 1.989 178.557 176.600 -0.053 0.000 0.988 480 E CA 0.430 56.796 56.400 -0.056 0.000 0.804 480 E CB 0.049 29.723 29.700 -0.043 0.000 0.745 480 E HN 0.302 nan 8.360 nan 0.000 0.458 481 L N 0.865 122.058 121.223 -0.051 0.000 2.012 481 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 481 L C 2.336 179.155 176.870 -0.085 0.000 1.073 481 L CA 1.578 56.377 54.840 -0.068 0.000 0.748 481 L CB -0.887 41.123 42.059 -0.083 0.000 0.891 481 L HN 0.257 nan 8.230 nan 0.000 0.431 482 L N -1.134 120.030 121.223 -0.097 0.000 2.017 482 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 482 L C 2.448 179.271 176.870 -0.077 0.000 1.073 482 L CA 1.625 56.404 54.840 -0.102 0.000 0.745 482 L CB -1.105 40.881 42.059 -0.122 0.000 0.894 482 L HN 0.268 nan 8.230 nan 0.000 0.432 483 T N -0.889 113.623 114.554 -0.070 0.000 2.720 483 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 483 T C 1.772 176.446 174.700 -0.043 0.000 1.037 483 T CA 1.259 63.325 62.100 -0.055 0.000 1.144 483 T CB -0.206 68.630 68.868 -0.053 0.000 0.864 483 T HN 0.334 nan 8.240 nan 0.000 0.444 484 E N 0.588 120.761 120.200 -0.045 0.000 2.085 484 E HA -0.086 4.263 4.350 -0.001 0.000 0.194 484 E C 2.263 178.843 176.600 -0.034 0.000 0.994 484 E CA 0.962 57.340 56.400 -0.037 0.000 0.801 484 E CB -0.293 29.383 29.700 -0.040 0.000 0.743 484 E HN 0.538 nan 8.360 nan 0.000 0.453 485 I N 0.466 121.010 120.570 -0.043 0.000 2.202 485 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 485 I C 2.814 178.920 176.117 -0.019 0.000 1.091 485 I CA 0.946 62.225 61.300 -0.036 0.000 1.368 485 I CB -0.253 37.716 38.000 -0.051 0.000 1.058 485 I HN -0.008 nan 8.210 nan 0.000 0.410 486 R N 0.996 121.483 120.500 -0.022 0.000 2.092 486 R HA -0.153 4.187 4.340 -0.001 0.000 0.231 486 R C 2.040 178.348 176.300 0.013 0.000 1.119 486 R CA 1.526 57.625 56.100 -0.003 0.000 0.970 486 R CB 0.015 30.301 30.300 -0.023 0.000 0.864 486 R HN 0.395 nan 8.270 nan 0.000 0.440 487 E N -0.473 119.726 120.200 -0.001 0.000 2.190 487 E HA -0.052 4.298 4.350 -0.001 0.000 0.191 487 E C 1.773 178.376 176.600 0.006 0.000 0.978 487 E CA 0.598 57.001 56.400 0.005 0.000 0.839 487 E CB 0.366 30.063 29.700 -0.005 0.000 0.787 487 E HN 0.250 nan 8.360 nan 0.000 0.473 488 K N -0.547 119.852 120.400 -0.001 0.000 2.166 488 K HA 0.055 4.375 4.320 -0.001 0.000 0.201 488 K C 1.265 177.866 176.600 0.002 0.000 1.052 488 K CA 0.794 57.080 56.287 -0.001 0.000 0.969 488 K CB 0.513 33.009 32.500 -0.007 0.000 0.761 488 K HN 0.209 nan 8.250 nan 0.000 0.459 489 G N 2.549 111.350 108.800 0.002 0.000 2.160 489 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.251 489 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.251 489 G C -0.152 174.748 174.900 0.001 0.000 1.008 489 G CA 0.911 46.014 45.100 0.005 0.000 0.724 489 G HN 0.420 nan 8.290 nan 0.000 0.514 490 E N -1.419 118.779 120.200 -0.004 0.000 2.430 490 E HA 0.663 5.013 4.350 -0.001 0.000 0.279 490 E C -0.974 175.619 176.600 -0.012 0.000 1.003 490 E CA -1.068 55.330 56.400 -0.003 0.000 0.801 490 E CB 1.214 30.913 29.700 -0.001 0.000 1.313 490 E HN 0.199 nan 8.360 nan 0.000 0.459 491 L N 2.802 124.019 121.223 -0.010 0.000 2.345 491 L HA 0.376 4.715 4.340 -0.001 0.000 0.274 491 L C -0.044 176.818 176.870 -0.013 0.000 0.999 491 L CA -0.779 54.048 54.840 -0.022 0.000 0.849 491 L CB 1.522 43.562 42.059 -0.032 0.000 1.220 491 L HN 0.510 nan 8.230 nan 0.000 0.422 492 S N 1.321 117.012 115.700 -0.016 0.000 2.589 492 S HA 0.192 4.661 4.470 -0.001 0.000 0.265 492 S C 1.033 175.627 174.600 -0.010 0.000 1.342 492 S CA -0.597 57.597 58.200 -0.009 0.000 1.005 492 S CB 1.157 64.351 63.200 -0.010 0.000 0.909 492 S HN 0.628 nan 8.310 nan 0.000 0.555 493 K N 0.781 121.181 120.400 -0.001 0.000 2.173 493 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 493 K C 1.884 178.483 176.600 -0.002 0.000 1.046 493 K CA 2.001 58.291 56.287 0.005 0.000 0.929 493 K CB -0.251 32.255 32.500 0.010 0.000 0.720 493 K HN 0.625 nan 8.250 nan 0.000 0.453 494 E N 0.816 121.011 120.200 -0.008 0.000 2.072 494 E HA -0.085 4.264 4.350 -0.001 0.000 0.190 494 E C 1.890 178.472 176.600 -0.030 0.000 0.982 494 E CA 0.754 57.147 56.400 -0.013 0.000 0.803 494 E CB -0.112 29.582 29.700 -0.011 0.000 0.755 494 E HN 0.174 nan 8.360 nan 0.000 0.453 495 L N 0.096 121.294 121.223 -0.041 0.000 2.046 495 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 495 L C 2.223 179.026 176.870 -0.112 0.000 1.077 495 L CA 0.901 55.699 54.840 -0.071 0.000 0.747 495 L CB -0.366 41.652 42.059 -0.068 0.000 0.896 495 L HN 0.165 nan 8.230 nan 0.000 0.432 496 L N -0.626 120.540 121.223 -0.095 0.000 2.012 496 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 496 L C 2.866 179.679 176.870 -0.095 0.000 1.073 496 L CA 1.364 56.130 54.840 -0.124 0.000 0.748 496 L CB -0.810 41.239 42.059 -0.018 0.000 0.891 496 L HN 0.255 nan 8.230 nan 0.000 0.431 497 A N -0.557 122.244 122.820 -0.033 0.000 1.902 497 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 497 A C 2.501 180.068 177.584 -0.029 0.000 1.181 497 A CA 2.165 54.200 52.037 -0.004 0.000 0.623 497 A CB -0.697 18.309 19.000 0.010 0.000 0.818 497 A HN 0.409 nan 8.150 nan 0.000 0.443 498 S N -0.521 115.145 115.700 -0.057 0.000 2.370 498 S HA -0.152 4.317 4.470 -0.001 0.000 0.226 498 S C 1.830 176.350 174.600 -0.135 0.000 1.033 498 S CA 1.524 59.680 58.200 -0.073 0.000 1.011 498 S CB -0.411 62.747 63.200 -0.070 0.000 0.852 498 S HN 0.451 nan 8.310 nan 0.000 0.457 499 L N 1.923 123.028 121.223 -0.196 0.000 2.156 499 L HA 0.080 4.420 4.340 -0.001 0.000 0.208 499 L C 2.156 178.895 176.870 -0.218 0.000 1.095 499 L CA 1.628 56.297 54.840 -0.285 0.000 0.770 499 L CB -0.489 41.279 42.059 -0.484 0.000 0.914 499 L HN 0.146 nan 8.230 nan 0.000 0.439 500 K N -1.208 119.119 120.400 -0.122 0.000 2.032 500 K HA -0.214 4.106 4.320 -0.001 0.000 0.209 500 K C 2.313 178.964 176.600 0.086 0.000 1.048 500 K CA 1.760 58.117 56.287 0.117 0.000 0.927 500 K CB -0.302 32.310 32.500 0.187 0.000 0.712 500 K HN 0.397 nan 8.250 nan 0.000 0.441 501 S N -0.353 115.372 115.700 0.041 0.000 2.406 501 S HA -0.030 4.439 4.470 -0.001 0.000 0.228 501 S C 1.927 176.554 174.600 0.045 0.000 1.020 501 S CA 0.968 59.202 58.200 0.057 0.000 0.965 501 S CB -0.158 63.070 63.200 0.046 0.000 0.798 501 S HN 0.437 nan 8.310 nan 0.000 0.488 502 A N 0.637 123.421 122.820 -0.060 0.000 1.969 502 A HA 0.026 4.346 4.320 -0.001 0.000 0.218 502 A C 2.326 180.037 177.584 0.212 0.000 1.169 502 A CA 1.955 53.909 52.037 -0.138 0.000 0.635 502 A CB -1.329 17.332 19.000 -0.566 0.000 0.810 502 A HN 0.585 nan 8.150 nan 0.000 0.445 503 T N -0.143 114.504 114.554 0.155 0.000 2.732 503 T HA -0.098 4.251 4.350 -0.001 0.000 0.261 503 T C 1.768 176.528 174.700 0.101 0.000 1.040 503 T CA 1.487 63.643 62.100 0.093 0.000 1.145 503 T CB -0.248 68.520 68.868 -0.167 0.000 0.866 503 T HN 0.622 nan 8.240 nan 0.000 0.427 504 E N 0.941 121.213 120.200 0.120 0.000 2.118 504 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 504 E C 2.434 179.116 176.600 0.138 0.000 0.992 504 E CA 1.142 57.652 56.400 0.184 0.000 0.804 504 E CB -0.177 29.637 29.700 0.190 0.000 0.741 504 E HN 0.302 nan 8.360 nan 0.000 0.458 505 S N -0.083 115.713 115.700 0.160 0.000 2.370 505 S HA -0.187 4.282 4.470 -0.001 0.000 0.226 505 S C 1.664 176.305 174.600 0.068 0.000 1.033 505 S CA 1.088 59.379 58.200 0.152 0.000 1.011 505 S CB -0.235 63.131 63.200 0.276 0.000 0.852 505 S HN 0.343 nan 8.310 nan 0.000 0.457 506 F N 1.729 121.618 119.950 -0.101 0.000 2.293 506 F HA 0.083 4.609 4.527 -0.001 0.000 0.297 506 F C 1.986 177.713 175.800 -0.122 0.000 1.089 506 F CA 0.754 58.584 58.000 -0.282 0.000 1.377 506 F CB -0.340 38.476 39.000 -0.307 0.000 1.051 506 F HN 0.019 nan 8.300 nan 0.000 0.511 507 V N 0.549 120.475 119.914 0.021 0.000 2.439 507 V HA -0.254 3.866 4.120 -0.001 0.000 0.253 507 V C 1.536 177.561 176.094 -0.116 0.000 1.074 507 V CA 1.563 63.871 62.300 0.013 0.000 1.076 507 V CB -1.574 30.301 31.823 0.087 0.000 0.664 507 V HN 0.404 nan 8.190 nan 0.000 0.461 508 A N -0.038 122.700 122.820 -0.136 0.000 2.969 508 A HA 0.533 4.852 4.320 -0.001 0.000 0.328 508 A C 0.582 178.037 177.584 -0.214 0.000 1.355 508 A CA 0.285 52.236 52.037 -0.143 0.000 1.018 508 A CB -0.540 18.416 19.000 -0.073 0.000 1.159 508 A HN 0.494 nan 8.150 nan 0.000 0.505 509 T N 0.000 114.351 114.554 -0.338 0.000 3.816 509 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 509 T CA 0.000 61.880 62.100 -0.366 0.000 1.349 509 T CB 0.000 68.754 68.868 -0.190 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658