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 1v26_1_B DATA FIRST_RESID 8 DATA SEQUENCE AFPSTMMDEE LNLWDFLERA AALFGRKEVV SRLHTGEVHR TTYAEVYQRA DATA SEQUENCE RRLMGGLRAL GVGVGDRVAT LGFNHFRHLE AYFAVPGMGA VLHTANPRLS DATA SEQUENCE PKEIAYILNH AEDKVLLFDP NLLPLVEAIR GELKTVQHFV VMDEKAPEGY DATA SEQUENCE LAYEEALGEE ADPVRVPERA ACGMAYTTGT TGLPKGVVYS HRALVLHSLA DATA SEQUENCE ASLVDGTALS EKDVVLPVVP MFHVNAWCLP YAATLVGAKQ VLPGPRLDPA DATA SEQUENCE SLVELFDGEG VTFTAGVPTV WLALADYLES TGHRLKTLRR LVVGGSAAPR DATA SEQUENCE SLIARFERMG VEVRQGYGLT ETSPVVVQNF VKSHLESLSE EEKLTLKAKT DATA SEQUENCE GLPIPLVRLR VADEEGRPVP KDGKALGEVQ LKGPWITGGY YGNEEATRSA DATA SEQUENCE LTPDGFFRTG DIAVWDEEGY VEIKDRLKDL IKSGGEWISS VDLENAXXXX DATA SEQUENCE XXXXXAAVVA IPHPKWQERP LAVXXXXXXX XTPEELNEHL LKAGFAKWQL DATA SEQUENCE PDAYVFAEEI PRTXXXXXXX RALREQYKNY YGGA 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.664 177.584 0.133 0.000 1.274 8 A CA 0.000 52.086 52.037 0.082 0.000 0.836 8 A CB 0.000 19.055 19.000 0.091 0.000 0.831 9 F N 3.567 123.518 119.950 0.003 0.000 2.564 9 F HA 0.622 5.149 4.527 -0.001 0.000 0.361 9 F C -2.102 173.700 175.800 0.003 0.000 1.161 9 F CA -1.729 56.272 58.000 0.003 0.000 1.198 9 F CB 1.027 40.029 39.000 0.003 0.000 1.424 9 F HN 0.348 nan 8.300 nan 0.000 0.517 10 P HA 0.378 nan 4.420 nan 0.000 0.280 10 P C -0.598 176.589 177.300 -0.189 0.000 1.272 10 P CA -0.466 62.570 63.100 -0.106 0.000 0.819 10 P CB 1.388 33.033 31.700 -0.092 0.000 1.122 11 S N -0.916 114.738 115.700 -0.077 0.000 2.603 11 S HA 0.184 4.654 4.470 -0.001 0.000 0.268 11 S C 0.951 175.498 174.600 -0.088 0.000 1.317 11 S CA 0.223 58.383 58.200 -0.066 0.000 1.012 11 S CB 0.094 63.290 63.200 -0.006 0.000 0.926 11 S HN 0.639 nan 8.310 nan 0.000 0.539 12 T N -0.076 114.433 114.554 -0.075 0.000 3.144 12 T HA 0.274 4.624 4.350 -0.001 0.000 0.249 12 T C 0.737 175.416 174.700 -0.035 0.000 1.089 12 T CA -0.427 61.634 62.100 -0.065 0.000 0.989 12 T CB -0.365 68.465 68.868 -0.063 0.000 0.992 12 T HN 0.527 nan 8.240 nan 0.000 0.540 13 M N 1.717 121.304 119.600 -0.022 0.000 2.245 13 M HA 0.347 4.827 4.480 -0.001 0.000 0.344 13 M C 0.533 176.827 176.300 -0.010 0.000 1.170 13 M CA 0.032 55.327 55.300 -0.009 0.000 1.135 13 M CB 0.018 32.619 32.600 0.001 0.000 1.574 13 M HN 0.247 nan 8.290 nan 0.000 0.452 14 M N 2.164 121.761 119.600 -0.005 0.000 2.252 14 M HA -0.040 4.439 4.480 -0.001 0.000 0.333 14 M C 0.321 176.619 176.300 -0.002 0.000 1.111 14 M CA 0.503 55.800 55.300 -0.004 0.000 1.140 14 M CB 0.178 32.778 32.600 -0.000 0.000 1.538 14 M HN 0.411 nan 8.290 nan 0.000 0.448 15 D N 2.789 123.186 120.400 -0.004 0.000 2.994 15 D HA 0.073 4.712 4.640 -0.001 0.000 0.240 15 D C -0.375 175.923 176.300 -0.002 0.000 1.195 15 D CA 0.274 54.272 54.000 -0.003 0.000 0.957 15 D CB 0.109 40.905 40.800 -0.007 0.000 1.105 15 D HN 0.390 nan 8.370 nan 0.000 0.477 16 E N 1.292 121.493 120.200 0.002 0.000 2.259 16 E HA 0.112 4.462 4.350 -0.001 0.000 0.281 16 E C 0.636 177.238 176.600 0.003 0.000 1.027 16 E CA -0.259 56.143 56.400 0.003 0.000 0.838 16 E CB 1.465 31.171 29.700 0.010 0.000 1.066 16 E HN 0.192 nan 8.360 nan 0.000 0.401 17 E N 1.963 122.159 120.200 -0.007 0.000 2.349 17 E HA 0.241 4.590 4.350 -0.001 0.000 0.262 17 E C 0.134 176.727 176.600 -0.012 0.000 1.088 17 E CA -0.511 55.880 56.400 -0.015 0.000 0.899 17 E CB 1.045 30.721 29.700 -0.040 0.000 1.044 17 E HN 0.327 nan 8.360 nan 0.000 0.420 18 L N 2.283 123.503 121.223 -0.006 0.000 2.290 18 L HA 0.289 4.628 4.340 -0.001 0.000 0.284 18 L C 0.213 177.056 176.870 -0.045 0.000 1.078 18 L CA -0.212 54.626 54.840 -0.005 0.000 0.815 18 L CB 0.356 42.431 42.059 0.027 0.000 1.162 18 L HN 0.412 nan 8.230 nan 0.000 0.435 19 N N 1.508 120.166 118.700 -0.071 0.000 2.260 19 N HA 0.341 5.081 4.740 -0.001 0.000 0.293 19 N C 0.512 175.982 175.510 -0.067 0.000 1.058 19 N CA -0.636 52.361 53.050 -0.088 0.000 0.824 19 N CB 1.822 40.234 38.487 -0.126 0.000 1.551 19 N HN 0.496 nan 8.380 nan 0.000 0.475 20 L N 1.414 122.711 121.223 0.124 0.000 2.191 20 L HA -0.094 4.246 4.340 -0.001 0.000 0.212 20 L C 1.866 178.852 176.870 0.193 0.000 1.103 20 L CA 0.910 55.657 54.840 -0.155 0.000 0.769 20 L CB -0.168 41.785 42.059 -0.176 0.000 0.908 20 L HN 0.723 nan 8.230 nan 0.000 0.438 21 W N 1.556 122.964 121.300 0.179 0.000 2.392 21 W HA -0.208 4.452 4.660 -0.000 0.000 0.279 21 W C 1.561 178.164 176.519 0.140 0.000 1.225 21 W CA 1.375 58.865 57.345 0.242 0.000 1.233 21 W CB -0.021 29.544 29.460 0.175 0.000 1.122 21 W HN 0.312 nan 8.180 nan 0.000 0.561 22 D N 0.154 120.623 120.400 0.116 0.000 2.218 22 D HA -0.178 4.462 4.640 -0.001 0.000 0.204 22 D C 1.909 178.278 176.300 0.115 0.000 0.976 22 D CA 1.110 55.152 54.000 0.069 0.000 0.853 22 D CB -0.811 40.049 40.800 0.099 0.000 0.939 22 D HN 0.097 nan 8.370 nan 0.000 0.481 23 F N 0.647 120.589 119.950 -0.014 0.000 2.102 23 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 23 F C 2.300 177.906 175.800 -0.324 0.000 1.105 23 F CA 0.311 58.286 58.000 -0.042 0.000 1.239 23 F CB -1.118 38.021 39.000 0.231 0.000 0.991 23 F HN -0.010 nan 8.300 nan 0.000 0.474 24 L N 0.246 121.185 121.223 -0.474 0.000 2.109 24 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 24 L C 2.262 178.752 176.870 -0.633 0.000 1.086 24 L CA 1.595 55.937 54.840 -0.830 0.000 0.760 24 L CB -0.856 40.324 42.059 -1.465 0.000 0.910 24 L HN 0.165 nan 8.230 nan 0.000 0.437 25 E N -0.597 119.227 120.200 -0.626 0.000 2.077 25 E HA -0.291 4.059 4.350 -0.001 0.000 0.193 25 E C 2.395 178.750 176.600 -0.408 0.000 0.989 25 E CA 1.143 57.230 56.400 -0.522 0.000 0.800 25 E CB -0.071 29.494 29.700 -0.225 0.000 0.746 25 E HN 0.413 nan 8.360 nan 0.000 0.452 26 R N -0.165 120.182 120.500 -0.256 0.000 2.075 26 R HA -0.099 4.241 4.340 -0.001 0.000 0.232 26 R C 2.233 178.383 176.300 -0.250 0.000 1.126 26 R CA 1.175 57.157 56.100 -0.197 0.000 0.963 26 R CB -0.217 30.047 30.300 -0.061 0.000 0.858 26 R HN 0.183 nan 8.270 nan 0.000 0.435 27 A N 0.675 123.338 122.820 -0.261 0.000 1.902 27 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 27 A C 2.311 179.745 177.584 -0.250 0.000 1.181 27 A CA 1.740 53.616 52.037 -0.268 0.000 0.623 27 A CB -0.751 17.800 19.000 -0.748 0.000 0.818 27 A HN 0.515 nan 8.150 nan 0.000 0.443 28 A N -0.579 122.029 122.820 -0.353 0.000 1.969 28 A HA 0.257 4.576 4.320 -0.001 0.000 0.218 28 A C 2.359 179.758 177.584 -0.309 0.000 1.169 28 A CA 1.845 53.684 52.037 -0.330 0.000 0.635 28 A CB -0.676 17.904 19.000 -0.701 0.000 0.810 28 A HN 1.005 nan 8.150 nan 0.000 0.445 29 A N -1.112 121.490 122.820 -0.364 0.000 2.030 29 A HA 0.351 4.671 4.320 -0.001 0.000 0.215 29 A C 1.912 179.293 177.584 -0.338 0.000 1.164 29 A CA 1.048 52.903 52.037 -0.303 0.000 0.697 29 A CB -0.169 18.666 19.000 -0.275 0.000 0.827 29 A HN 0.428 nan 8.150 nan 0.000 0.457 30 L N -3.116 117.793 121.223 -0.524 0.000 2.577 30 L HA 0.285 4.625 4.340 -0.001 0.000 0.225 30 L C 0.223 176.574 176.870 -0.864 0.000 1.053 30 L CA 0.308 54.645 54.840 -0.838 0.000 0.866 30 L CB 0.325 41.563 42.059 -1.368 0.000 1.132 30 L HN 0.329 nan 8.230 nan 0.000 0.486 31 F N -0.608 119.283 119.950 -0.099 0.000 2.841 31 F HA 0.402 4.928 4.527 -0.000 0.000 0.358 31 F C 1.683 177.505 175.800 0.038 0.000 1.261 31 F CA -0.548 57.429 58.000 -0.038 0.000 1.233 31 F CB -0.421 38.542 39.000 -0.062 0.000 1.008 31 F HN -0.162 nan 8.300 nan 0.000 0.507 32 G N 0.441 109.286 108.800 0.075 0.000 2.462 32 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.220 32 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.220 32 G C 1.798 176.775 174.900 0.128 0.000 1.121 32 G CA 0.461 45.616 45.100 0.092 0.000 0.758 32 G HN 0.300 nan 8.290 nan 0.000 0.559 33 R N -0.280 120.285 120.500 0.109 0.000 2.297 33 R HA 0.088 4.428 4.340 -0.001 0.000 0.197 33 R C 0.237 176.587 176.300 0.084 0.000 0.943 33 R CA -0.053 56.093 56.100 0.077 0.000 1.038 33 R CB 0.150 30.480 30.300 0.050 0.000 0.957 33 R HN 0.088 nan 8.270 nan 0.000 0.484 34 K N 2.083 122.582 120.400 0.165 0.000 2.401 34 K HA 0.035 4.354 4.320 -0.001 0.000 0.278 34 K C 0.062 176.647 176.600 -0.025 0.000 1.018 34 K CA 0.493 56.859 56.287 0.132 0.000 0.981 34 K CB 0.540 33.211 32.500 0.285 0.000 0.933 34 K HN 0.163 nan 8.250 nan 0.000 0.477 35 E N 0.954 121.106 120.200 -0.080 0.000 2.313 35 E HA 0.226 4.575 4.350 -0.001 0.000 0.272 35 E C -0.595 175.860 176.600 -0.242 0.000 1.038 35 E CA -0.651 55.662 56.400 -0.146 0.000 0.863 35 E CB 1.339 30.980 29.700 -0.098 0.000 1.060 35 E HN 0.096 nan 8.360 nan 0.000 0.402 36 V N 3.375 123.146 119.914 -0.238 0.000 2.376 36 V HA 0.197 4.317 4.120 -0.001 0.000 0.287 36 V C -0.425 175.612 176.094 -0.094 0.000 1.015 36 V CA -0.717 61.466 62.300 -0.194 0.000 0.834 36 V CB 1.486 33.191 31.823 -0.197 0.000 1.001 36 V HN 0.372 nan 8.190 nan 0.000 0.428 37 V N 4.154 124.029 119.914 -0.064 0.000 2.398 37 V HA 0.581 4.701 4.120 -0.001 0.000 0.286 37 V C 0.135 176.242 176.094 0.022 0.000 1.026 37 V CA -0.123 62.152 62.300 -0.041 0.000 0.868 37 V CB 1.959 33.746 31.823 -0.059 0.000 0.982 37 V HN 0.887 nan 8.190 nan 0.000 0.443 38 S N 4.647 120.401 115.700 0.089 0.000 2.521 38 S HA 0.575 5.045 4.470 -0.001 0.000 0.295 38 S C -0.439 174.223 174.600 0.104 0.000 1.098 38 S CA -0.770 57.520 58.200 0.150 0.000 0.999 38 S CB 1.807 65.222 63.200 0.359 0.000 1.034 38 S HN 0.687 nan 8.310 nan 0.000 0.483 39 R N 3.082 123.615 120.500 0.055 0.000 2.229 39 R HA 0.462 4.802 4.340 -0.001 0.000 0.332 39 R C -0.773 175.547 176.300 0.033 0.000 0.989 39 R CA -0.409 55.701 56.100 0.016 0.000 0.842 39 R CB 0.254 30.529 30.300 -0.041 0.000 1.119 39 R HN 0.615 nan 8.270 nan 0.000 0.456 40 L N 3.356 124.594 121.223 0.024 0.000 2.479 40 L HA 0.140 4.480 4.340 -0.001 0.000 0.249 40 L C 2.131 178.985 176.870 -0.027 0.000 1.178 40 L CA -0.657 54.196 54.840 0.022 0.000 0.811 40 L CB 0.449 42.506 42.059 -0.003 0.000 1.187 40 L HN 0.724 nan 8.230 nan 0.000 0.480 41 H N -0.702 118.328 119.070 -0.067 0.000 2.489 41 H HA -0.115 4.441 4.556 -0.001 0.000 0.293 41 H C 1.562 176.846 175.328 -0.074 0.000 1.066 41 H CA 1.699 57.693 56.048 -0.089 0.000 1.305 41 H CB -0.741 28.974 29.762 -0.077 0.000 1.386 41 H HN 0.786 nan 8.280 nan 0.000 0.551 42 T N -3.673 110.498 114.554 -0.638 0.000 3.085 42 T HA 0.275 4.624 4.350 -0.001 0.000 0.263 42 T C 1.810 176.385 174.700 -0.208 0.000 1.127 42 T CA 1.032 62.870 62.100 -0.436 0.000 1.103 42 T CB -0.219 68.391 68.868 -0.429 0.000 0.921 42 T HN 0.654 nan 8.240 nan 0.000 0.510 43 G N 1.758 110.462 108.800 -0.161 0.000 2.238 43 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 43 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 43 G C -0.053 174.797 174.900 -0.082 0.000 0.996 43 G CA 0.009 45.046 45.100 -0.105 0.000 0.632 43 G HN 0.998 nan 8.290 nan 0.000 0.503 44 E N 0.535 120.684 120.200 -0.085 0.000 2.404 44 E HA 0.480 4.830 4.350 -0.001 0.000 0.261 44 E C -0.366 176.218 176.600 -0.027 0.000 1.074 44 E CA -0.391 55.977 56.400 -0.053 0.000 0.917 44 E CB 1.589 31.260 29.700 -0.049 0.000 0.965 44 E HN 0.242 nan 8.360 nan 0.000 0.433 45 V N 3.219 123.120 119.914 -0.022 0.000 2.347 45 V HA 0.096 4.216 4.120 -0.001 0.000 0.280 45 V C -0.060 176.030 176.094 -0.007 0.000 1.021 45 V CA -0.630 61.662 62.300 -0.014 0.000 0.847 45 V CB 0.862 32.661 31.823 -0.040 0.000 0.990 45 V HN 0.656 nan 8.190 nan 0.000 0.444 46 H N 6.775 125.792 119.070 -0.089 0.000 2.473 46 H HA 0.561 5.116 4.556 -0.001 0.000 0.327 46 H C -0.600 174.603 175.328 -0.210 0.000 1.105 46 H CA -0.702 55.241 56.048 -0.175 0.000 1.280 46 H CB 1.130 30.746 29.762 -0.243 0.000 1.450 46 H HN 0.575 nan 8.280 nan 0.000 0.492 47 R N 3.112 123.140 120.500 -0.787 0.000 2.534 47 R HA 0.344 4.683 4.340 -0.001 0.000 0.301 47 R C -0.526 175.373 176.300 -0.670 0.000 0.961 47 R CA -0.764 55.017 56.100 -0.532 0.000 0.871 47 R CB 2.209 32.320 30.300 -0.315 0.000 1.170 47 R HN 0.623 nan 8.270 nan 0.000 0.446 48 T N 0.265 114.596 114.554 -0.372 0.000 2.681 48 T HA 0.560 4.909 4.350 -0.001 0.000 0.296 48 T C -0.944 173.673 174.700 -0.139 0.000 1.157 48 T CA -0.420 61.545 62.100 -0.224 0.000 1.025 48 T CB 1.894 70.696 68.868 -0.111 0.000 1.441 48 T HN 0.698 nan 8.240 nan 0.000 0.504 49 T N -0.553 113.957 114.554 -0.074 0.000 2.887 49 T HA 0.528 4.878 4.350 -0.001 0.000 0.292 49 T C 0.209 174.902 174.700 -0.013 0.000 1.087 49 T CA -0.599 61.460 62.100 -0.068 0.000 1.009 49 T CB 0.882 69.748 68.868 -0.003 0.000 1.203 49 T HN 0.511 nan 8.240 nan 0.000 0.518 50 Y N 0.641 120.972 120.300 0.051 0.000 2.224 50 Y HA 0.055 4.605 4.550 -0.001 0.000 0.289 50 Y C 2.960 178.897 175.900 0.061 0.000 1.146 50 Y CA 1.693 59.820 58.100 0.046 0.000 1.182 50 Y CB -1.010 37.463 38.460 0.021 0.000 0.983 50 Y HN 0.881 nan 8.280 nan 0.000 0.524 51 A N -0.092 122.851 122.820 0.206 0.000 1.898 51 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 51 A C 2.099 179.813 177.584 0.216 0.000 1.181 51 A CA 1.818 53.958 52.037 0.172 0.000 0.620 51 A CB -0.551 18.512 19.000 0.104 0.000 0.819 51 A HN 0.506 nan 8.150 nan 0.000 0.442 52 E N -0.506 119.792 120.200 0.163 0.000 2.072 52 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 52 E C 1.979 178.703 176.600 0.206 0.000 0.985 52 E CA 1.116 57.610 56.400 0.157 0.000 0.801 52 E CB -0.223 29.540 29.700 0.105 0.000 0.750 52 E HN 0.355 nan 8.360 nan 0.000 0.452 53 V N 0.857 120.906 119.914 0.224 0.000 2.343 53 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 53 V C 2.079 178.337 176.094 0.273 0.000 1.051 53 V CA 1.970 64.431 62.300 0.269 0.000 1.036 53 V CB -0.531 31.450 31.823 0.263 0.000 0.654 53 V HN 0.346 nan 8.190 nan 0.000 0.451 54 Y N 0.576 120.942 120.300 0.110 0.000 2.181 54 Y HA -0.259 4.290 4.550 -0.000 0.000 0.288 54 Y C 2.733 178.739 175.900 0.176 0.000 1.146 54 Y CA 2.263 60.395 58.100 0.052 0.000 1.164 54 Y CB -0.285 38.151 38.460 -0.042 0.000 0.982 54 Y HN 0.194 nan 8.280 nan 0.000 0.515 55 Q N 0.846 120.729 119.800 0.139 0.000 2.079 55 Q HA -0.185 4.155 4.340 -0.001 0.000 0.200 55 Q C 2.238 178.279 176.000 0.067 0.000 0.974 55 Q CA 1.776 57.611 55.803 0.054 0.000 0.840 55 Q CB -0.173 28.644 28.738 0.132 0.000 0.898 55 Q HN 0.546 nan 8.270 nan 0.000 0.430 56 R N -0.468 120.119 120.500 0.144 0.000 2.148 56 R HA 0.029 4.369 4.340 -0.001 0.000 0.223 56 R C 2.272 178.681 176.300 0.182 0.000 1.088 56 R CA 0.844 57.045 56.100 0.169 0.000 0.985 56 R CB -0.180 30.269 30.300 0.248 0.000 0.880 56 R HN 0.228 nan 8.270 nan 0.000 0.451 57 A N 1.076 124.038 122.820 0.236 0.000 1.930 57 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 57 A C 1.998 179.728 177.584 0.243 0.000 1.175 57 A CA 1.040 53.274 52.037 0.329 0.000 0.627 57 A CB -0.245 19.059 19.000 0.508 0.000 0.815 57 A HN 0.177 nan 8.150 nan 0.000 0.443 58 R N -0.723 119.867 120.500 0.150 0.000 2.096 58 R HA -0.045 4.294 4.340 -0.001 0.000 0.235 58 R C 2.397 178.683 176.300 -0.023 0.000 1.127 58 R CA 1.433 57.532 56.100 -0.002 0.000 0.968 58 R CB -0.227 30.021 30.300 -0.087 0.000 0.861 58 R HN 0.460 nan 8.270 nan 0.000 0.440 59 R N 0.068 120.571 120.500 0.004 0.000 2.115 59 R HA -0.083 4.257 4.340 -0.001 0.000 0.226 59 R C 2.128 178.400 176.300 -0.046 0.000 1.100 59 R CA 0.759 56.848 56.100 -0.019 0.000 0.980 59 R CB -0.260 30.039 30.300 -0.002 0.000 0.875 59 R HN 0.114 nan 8.270 nan 0.000 0.445 60 L N 0.751 121.960 121.223 -0.022 0.000 2.093 60 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 60 L C 2.084 178.928 176.870 -0.044 0.000 1.085 60 L CA 1.577 56.382 54.840 -0.059 0.000 0.755 60 L CB -0.177 41.894 42.059 0.019 0.000 0.904 60 L HN 0.130 nan 8.230 nan 0.000 0.435 61 M N -1.294 118.288 119.600 -0.030 0.000 2.086 61 M HA -0.128 4.351 4.480 -0.001 0.000 0.261 61 M C 2.159 178.412 176.300 -0.078 0.000 1.067 61 M CA 1.792 57.052 55.300 -0.066 0.000 1.116 61 M CB -1.126 31.394 32.600 -0.133 0.000 1.348 61 M HN 0.438 nan 8.290 nan 0.000 0.407 62 G N -0.265 108.489 108.800 -0.077 0.000 2.408 62 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.217 62 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.217 62 G C 1.491 176.344 174.900 -0.077 0.000 1.150 62 G CA 0.946 46.002 45.100 -0.073 0.000 0.776 62 G HN 0.564 nan 8.290 nan 0.000 0.542 63 G N 0.811 109.557 108.800 -0.089 0.000 2.402 63 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.216 63 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.216 63 G C 1.788 176.616 174.900 -0.121 0.000 1.162 63 G CA 0.592 45.625 45.100 -0.112 0.000 0.777 63 G HN 0.411 nan 8.290 nan 0.000 0.539 64 L N -0.284 120.877 121.223 -0.103 0.000 2.141 64 L HA 0.050 4.390 4.340 -0.001 0.000 0.209 64 L C 2.888 179.708 176.870 -0.083 0.000 1.094 64 L CA 0.894 55.678 54.840 -0.093 0.000 0.763 64 L CB -0.267 41.760 42.059 -0.054 0.000 0.908 64 L HN 0.167 nan 8.230 nan 0.000 0.437 65 R N 0.353 120.810 120.500 -0.073 0.000 2.096 65 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 65 R C 2.277 178.539 176.300 -0.063 0.000 1.127 65 R CA 1.334 57.398 56.100 -0.061 0.000 0.968 65 R CB -0.205 30.059 30.300 -0.059 0.000 0.861 65 R HN 0.330 nan 8.270 nan 0.000 0.440 66 A N 0.489 123.263 122.820 -0.078 0.000 2.070 66 A HA -0.059 4.261 4.320 -0.001 0.000 0.220 66 A C 1.843 179.363 177.584 -0.107 0.000 1.159 66 A CA 0.916 52.905 52.037 -0.079 0.000 0.656 66 A CB -0.214 18.738 19.000 -0.081 0.000 0.800 66 A HN 0.347 nan 8.150 nan 0.000 0.453 67 L N -1.459 119.667 121.223 -0.162 0.000 2.592 67 L HA 0.257 4.596 4.340 -0.001 0.000 0.227 67 L C 1.536 178.364 176.870 -0.070 0.000 1.127 67 L CA 0.521 55.189 54.840 -0.286 0.000 0.884 67 L CB 0.032 41.775 42.059 -0.527 0.000 1.065 67 L HN 0.538 nan 8.230 nan 0.000 0.457 68 G N -0.193 108.590 108.800 -0.029 0.000 2.159 68 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.227 68 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.227 68 G C 0.188 175.093 174.900 0.007 0.000 0.986 68 G CA -0.160 44.948 45.100 0.014 0.000 0.651 68 G HN 0.061 nan 8.290 nan 0.000 0.523 69 V N 1.549 121.456 119.914 -0.010 0.000 2.415 69 V HA 0.561 4.680 4.120 -0.001 0.000 0.267 69 V C 1.322 177.406 176.094 -0.017 0.000 1.042 69 V CA 0.698 62.993 62.300 -0.009 0.000 1.000 69 V CB 0.731 32.546 31.823 -0.013 0.000 1.015 69 V HN 0.683 nan 8.190 nan 0.000 0.478 70 G N 3.662 112.454 108.800 -0.013 0.000 2.705 70 G HA2 0.546 4.505 3.960 -0.001 0.000 0.299 70 G HA3 0.546 4.505 3.960 -0.001 0.000 0.299 70 G C -0.486 174.404 174.900 -0.017 0.000 1.315 70 G CA -0.773 44.317 45.100 -0.017 0.000 1.045 70 G HN 0.475 nan 8.290 nan 0.000 0.517 71 V N 0.739 120.641 119.914 -0.019 0.000 2.529 71 V HA 0.420 4.540 4.120 -0.001 0.000 0.292 71 V C 1.566 177.652 176.094 -0.014 0.000 1.028 71 V CA 1.861 64.152 62.300 -0.016 0.000 1.074 71 V CB 0.349 32.160 31.823 -0.020 0.000 0.958 71 V HN 1.815 nan 8.190 nan 0.000 0.481 72 G N 4.040 112.833 108.800 -0.012 0.000 2.217 72 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.246 72 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.246 72 G C 0.014 174.895 174.900 -0.031 0.000 0.990 72 G CA 0.040 45.127 45.100 -0.023 0.000 0.627 72 G HN 0.655 nan 8.290 nan 0.000 0.522 73 D N 0.695 121.083 120.400 -0.020 0.000 2.399 73 D HA 0.520 5.160 4.640 -0.001 0.000 0.241 73 D C 0.893 177.184 176.300 -0.015 0.000 1.133 73 D CA 0.095 54.084 54.000 -0.017 0.000 0.890 73 D CB 0.559 41.354 40.800 -0.007 0.000 1.201 73 D HN 0.189 nan 8.370 nan 0.000 0.432 74 R N 0.616 121.107 120.500 -0.015 0.000 2.254 74 R HA 0.455 4.794 4.340 -0.001 0.000 0.318 74 R C -0.838 175.483 176.300 0.035 0.000 1.031 74 R CA -0.509 55.594 56.100 0.004 0.000 0.905 74 R CB 1.103 31.396 30.300 -0.012 0.000 1.050 74 R HN 0.093 nan 8.270 nan 0.000 0.456 75 V N 3.032 122.980 119.914 0.057 0.000 2.384 75 V HA 0.673 4.793 4.120 -0.001 0.000 0.287 75 V C -0.098 176.051 176.094 0.092 0.000 1.020 75 V CA -0.893 61.444 62.300 0.061 0.000 0.850 75 V CB 1.601 33.457 31.823 0.056 0.000 0.987 75 V HN 0.891 nan 8.190 nan 0.000 0.436 76 A N 3.888 126.750 122.820 0.071 0.000 2.306 76 A HA 0.929 5.248 4.320 -0.001 0.000 0.330 76 A C 0.224 177.814 177.584 0.010 0.000 1.146 76 A CA -0.390 51.669 52.037 0.037 0.000 0.827 76 A CB 1.224 20.220 19.000 -0.007 0.000 1.178 76 A HN 0.906 nan 8.150 nan 0.000 0.490 77 T N -0.701 113.841 114.554 -0.019 0.000 2.876 77 T HA 0.668 5.018 4.350 -0.001 0.000 0.289 77 T C -0.749 173.917 174.700 -0.055 0.000 1.014 77 T CA -0.474 61.602 62.100 -0.040 0.000 0.986 77 T CB 1.030 69.845 68.868 -0.088 0.000 1.021 77 T HN 0.426 nan 8.240 nan 0.000 0.458 78 L N 2.187 123.382 121.223 -0.048 0.000 2.470 78 L HA 0.699 5.039 4.340 -0.001 0.000 0.253 78 L C 0.324 177.151 176.870 -0.071 0.000 1.163 78 L CA -0.348 54.440 54.840 -0.086 0.000 0.932 78 L CB 0.807 42.835 42.059 -0.052 0.000 1.213 78 L HN 1.136 nan 8.230 nan 0.000 0.485 79 G N 0.249 108.999 108.800 -0.084 0.000 2.623 79 G HA2 0.579 4.539 3.960 -0.001 0.000 0.290 79 G HA3 0.579 4.539 3.960 -0.001 0.000 0.290 79 G C -1.392 173.553 174.900 0.075 0.000 1.437 79 G CA -0.465 44.628 45.100 -0.013 0.000 0.798 79 G HN 0.023 nan 8.290 nan 0.000 0.488 80 F N -0.366 119.729 119.950 0.243 0.000 2.363 80 F HA 0.436 4.963 4.527 -0.001 0.000 0.332 80 F C 0.667 176.406 175.800 -0.103 0.000 1.039 80 F CA -0.883 57.195 58.000 0.130 0.000 1.127 80 F CB 0.758 39.822 39.000 0.107 0.000 1.701 80 F HN 0.137 nan 8.300 nan 0.000 0.532 81 N N 0.984 119.712 118.700 0.048 0.000 2.415 81 N HA 0.185 4.924 4.740 -0.001 0.000 0.246 81 N C -0.851 174.617 175.510 -0.071 0.000 1.078 81 N CA -0.121 52.821 53.050 -0.180 0.000 0.942 81 N CB -0.369 37.997 38.487 -0.201 0.000 1.140 81 N HN 0.591 nan 8.380 nan 0.000 0.501 82 H N -0.736 118.323 119.070 -0.018 0.000 2.918 82 H HA 0.127 4.683 4.556 -0.001 0.000 0.303 82 H C 0.368 175.686 175.328 -0.018 0.000 1.380 82 H CA -0.768 55.287 56.048 0.012 0.000 1.134 82 H CB 0.160 29.908 29.762 -0.023 0.000 1.842 82 H HN 0.208 nan 8.280 nan 0.000 0.533 83 F N 0.952 120.992 119.950 0.150 0.000 2.216 83 F HA 0.109 4.636 4.527 -0.001 0.000 0.300 83 F C 2.190 178.052 175.800 0.104 0.000 1.085 83 F CA 0.737 58.787 58.000 0.083 0.000 1.326 83 F CB -0.698 38.345 39.000 0.071 0.000 1.027 83 F HN 0.287 nan 8.300 nan 0.000 0.497 84 R N -0.525 119.582 120.500 -0.655 0.000 2.092 84 R HA -0.116 4.224 4.340 -0.001 0.000 0.231 84 R C 2.206 178.406 176.300 -0.167 0.000 1.119 84 R CA 1.554 57.285 56.100 -0.615 0.000 0.970 84 R CB -0.846 28.740 30.300 -1.189 0.000 0.864 84 R HN 0.510 nan 8.270 nan 0.000 0.440 85 H N -0.005 118.917 119.070 -0.246 0.000 2.389 85 H HA -0.079 4.476 4.556 -0.000 0.000 0.299 85 H C 2.051 177.282 175.328 -0.160 0.000 1.081 85 H CA 0.937 56.827 56.048 -0.263 0.000 1.345 85 H CB 0.264 29.670 29.762 -0.593 0.000 1.393 85 H HN 0.031 nan 8.280 nan 0.000 0.520 86 L N 1.101 122.292 121.223 -0.054 0.000 2.083 86 L HA -0.136 4.204 4.340 -0.001 0.000 0.209 86 L C 1.897 178.945 176.870 0.295 0.000 1.083 86 L CA 1.679 56.508 54.840 -0.018 0.000 0.752 86 L CB -0.249 41.834 42.059 0.040 0.000 0.899 86 L HN 0.271 nan 8.230 nan 0.000 0.433 87 E N -0.648 119.733 120.200 0.302 0.000 2.106 87 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 87 E C 2.177 179.039 176.600 0.438 0.000 0.984 87 E CA 1.057 57.701 56.400 0.408 0.000 0.806 87 E CB -0.270 29.657 29.700 0.378 0.000 0.750 87 E HN 0.643 nan 8.360 nan 0.000 0.458 88 A N 0.159 123.203 122.820 0.373 0.000 1.969 88 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 88 A C 1.749 179.558 177.584 0.374 0.000 1.169 88 A CA 0.864 53.115 52.037 0.358 0.000 0.635 88 A CB -0.683 18.498 19.000 0.302 0.000 0.810 88 A HN 0.329 nan 8.150 nan 0.000 0.445 89 Y N -2.172 118.204 120.300 0.126 0.000 2.403 89 Y HA -0.202 4.348 4.550 -0.001 0.000 0.291 89 Y C 1.736 177.616 175.900 -0.034 0.000 1.143 89 Y CA 1.228 59.283 58.100 -0.075 0.000 1.257 89 Y CB -0.036 38.137 38.460 -0.479 0.000 0.984 89 Y HN 0.404 nan 8.280 nan 0.000 0.550 90 F N -2.636 117.611 119.950 0.495 0.000 2.553 90 F HA 0.193 4.720 4.527 -0.001 0.000 0.282 90 F C 2.185 178.351 175.800 0.609 0.000 1.089 90 F CA 0.542 58.883 58.000 0.568 0.000 1.411 90 F CB -0.816 38.473 39.000 0.481 0.000 1.125 90 F HN -0.137 nan 8.300 nan 0.000 0.610 91 A N 0.189 123.397 122.820 0.647 0.000 1.877 91 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 91 A C 2.259 179.974 177.584 0.219 0.000 1.186 91 A CA 2.092 54.368 52.037 0.398 0.000 0.620 91 A CB -1.161 18.019 19.000 0.301 0.000 0.822 91 A HN 0.125 nan 8.150 nan 0.000 0.443 92 V N 0.565 120.606 119.914 0.211 0.000 2.261 92 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 92 V C -0.230 175.937 176.094 0.121 0.000 1.047 92 V CA 2.528 64.905 62.300 0.128 0.000 1.015 92 V CB -1.607 30.282 31.823 0.110 0.000 0.642 92 V HN 0.406 nan 8.190 nan 0.000 0.446 93 P HA -0.036 nan 4.420 nan 0.000 0.221 93 P C 1.629 179.113 177.300 0.306 0.000 1.150 93 P CA 1.572 64.785 63.100 0.188 0.000 0.800 93 P CB -0.283 31.462 31.700 0.074 0.000 0.787 94 G N 0.685 109.650 108.800 0.275 0.000 2.443 94 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.219 94 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.219 94 G C 1.265 176.061 174.900 -0.173 0.000 1.131 94 G CA 0.733 45.865 45.100 0.054 0.000 0.775 94 G HN 0.366 nan 8.290 nan 0.000 0.547 95 M N -1.183 118.366 119.600 -0.085 0.000 2.428 95 M HA 0.464 4.944 4.480 -0.001 0.000 0.239 95 M C 1.377 177.649 176.300 -0.047 0.000 1.121 95 M CA 0.816 56.054 55.300 -0.105 0.000 1.019 95 M CB 0.485 33.033 32.600 -0.087 0.000 1.485 95 M HN 0.289 nan 8.290 nan 0.000 0.484 96 G N 0.984 109.791 108.800 0.011 0.000 2.157 96 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.248 96 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.248 96 G C 0.136 175.060 174.900 0.040 0.000 0.979 96 G CA 0.094 45.214 45.100 0.033 0.000 0.650 96 G HN 0.930 nan 8.290 nan 0.000 0.529 97 A N -0.927 121.916 122.820 0.039 0.000 2.239 97 A HA 0.876 5.196 4.320 -0.001 0.000 0.303 97 A C 0.208 177.804 177.584 0.021 0.000 1.114 97 A CA 0.073 52.123 52.037 0.022 0.000 0.871 97 A CB 1.353 20.364 19.000 0.018 0.000 1.201 97 A HN 1.178 nan 8.150 nan 0.000 0.506 98 V N 0.713 120.627 119.914 0.001 0.000 2.378 98 V HA 0.318 4.438 4.120 -0.001 0.000 0.288 98 V C -0.525 175.581 176.094 0.020 0.000 1.016 98 V CA -0.324 61.966 62.300 -0.016 0.000 0.840 98 V CB 0.991 32.777 31.823 -0.062 0.000 0.994 98 V HN 0.702 nan 8.190 nan 0.000 0.431 99 L N 5.273 126.509 121.223 0.021 0.000 2.342 99 L HA 0.348 4.688 4.340 -0.001 0.000 0.285 99 L C 0.247 177.194 176.870 0.128 0.000 1.095 99 L CA 0.358 55.231 54.840 0.055 0.000 0.843 99 L CB 0.026 42.078 42.059 -0.012 0.000 1.201 99 L HN 0.749 nan 8.230 nan 0.000 0.445 100 H N 4.093 123.190 119.070 0.045 0.000 2.787 100 H HA 0.234 4.790 4.556 -0.001 0.000 0.275 100 H C -0.623 174.779 175.328 0.123 0.000 1.183 100 H CA -0.647 55.454 56.048 0.087 0.000 1.290 100 H CB 0.381 30.194 29.762 0.085 0.000 1.438 100 H HN 0.734 nan 8.280 nan 0.000 0.487 101 T N 2.652 117.312 114.554 0.176 0.000 2.727 101 T HA 0.485 4.835 4.350 -0.001 0.000 0.295 101 T C 0.377 175.107 174.700 0.050 0.000 0.915 101 T CA -0.884 61.301 62.100 0.142 0.000 1.066 101 T CB 1.106 70.108 68.868 0.223 0.000 0.891 101 T HN 0.559 nan 8.240 nan 0.000 0.516 102 A N 3.737 126.489 122.820 -0.115 0.000 2.312 102 A HA 0.610 4.930 4.320 -0.001 0.000 0.326 102 A C 0.295 177.771 177.584 -0.179 0.000 1.172 102 A CA -0.992 50.936 52.037 -0.181 0.000 0.821 102 A CB 0.676 19.467 19.000 -0.347 0.000 1.166 102 A HN 0.759 nan 8.150 nan 0.000 0.493 103 N N 2.126 120.726 118.700 -0.167 0.000 2.408 103 N HA 0.295 5.034 4.740 -0.001 0.000 0.257 103 N C -2.110 173.106 175.510 -0.491 0.000 1.064 103 N CA -1.980 50.799 53.050 -0.453 0.000 0.952 103 N CB 1.348 39.820 38.487 -0.024 0.000 1.093 103 N HN 0.205 nan 8.380 nan 0.000 0.490 104 P HA 0.072 nan 4.420 nan 0.000 0.237 104 P C 0.782 177.918 177.300 -0.274 0.000 1.178 104 P CA 0.588 63.419 63.100 -0.449 0.000 0.766 104 P CB 0.419 31.816 31.700 -0.505 0.000 0.876 105 R N -0.721 119.611 120.500 -0.280 0.000 2.240 105 R HA 0.156 4.496 4.340 -0.001 0.000 0.203 105 R C 1.009 177.324 176.300 0.025 0.000 1.011 105 R CA 0.166 56.186 56.100 -0.134 0.000 1.007 105 R CB -0.597 29.593 30.300 -0.184 0.000 0.911 105 R HN 0.312 nan 8.270 nan 0.000 0.468 106 L N 1.767 123.009 121.223 0.032 0.000 2.476 106 L HA 0.033 4.373 4.340 -0.001 0.000 0.264 106 L C 1.009 177.931 176.870 0.087 0.000 1.224 106 L CA -0.234 54.678 54.840 0.120 0.000 0.821 106 L CB 0.277 42.386 42.059 0.082 0.000 1.101 106 L HN 0.065 nan 8.230 nan 0.000 0.488 107 S N 0.494 116.243 115.700 0.083 0.000 2.568 107 S HA 0.101 4.571 4.470 -0.001 0.000 0.282 107 S C -1.828 172.768 174.600 -0.007 0.000 1.338 107 S CA -1.037 57.176 58.200 0.021 0.000 1.045 107 S CB 0.772 63.939 63.200 -0.055 0.000 0.873 107 S HN 0.418 nan 8.310 nan 0.000 0.516 108 P HA -0.144 nan 4.420 nan 0.000 0.217 108 P C 1.030 178.317 177.300 -0.021 0.000 1.151 108 P CA 1.461 64.546 63.100 -0.025 0.000 0.849 108 P CB 0.013 31.695 31.700 -0.029 0.000 0.787 109 K N -0.439 119.942 120.400 -0.032 0.000 2.097 109 K HA -0.129 4.191 4.320 -0.001 0.000 0.205 109 K C 2.080 178.685 176.600 0.009 0.000 1.050 109 K CA 1.302 57.573 56.287 -0.026 0.000 0.938 109 K CB -0.444 32.015 32.500 -0.069 0.000 0.718 109 K HN 0.239 nan 8.250 nan 0.000 0.442 110 E N 0.177 120.376 120.200 -0.002 0.000 2.072 110 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 110 E C 1.913 178.549 176.600 0.059 0.000 0.985 110 E CA 1.008 57.433 56.400 0.042 0.000 0.801 110 E CB -0.042 29.675 29.700 0.029 0.000 0.750 110 E HN 0.230 nan 8.360 nan 0.000 0.452 111 I N 1.030 121.607 120.570 0.012 0.000 2.226 111 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 111 I C 2.532 178.640 176.117 -0.015 0.000 1.100 111 I CA 0.924 62.211 61.300 -0.022 0.000 1.374 111 I CB -0.341 37.630 38.000 -0.049 0.000 1.057 111 I HN 0.088 nan 8.210 nan 0.000 0.413 112 A N 0.255 123.081 122.820 0.011 0.000 1.933 112 A HA -0.273 4.046 4.320 -0.001 0.000 0.218 112 A C 2.315 179.919 177.584 0.035 0.000 1.175 112 A CA 1.499 53.549 52.037 0.021 0.000 0.628 112 A CB -1.009 18.007 19.000 0.028 0.000 0.814 112 A HN 0.557 nan 8.150 nan 0.000 0.444 113 Y N 1.269 121.534 120.300 -0.058 0.000 2.163 113 Y HA -0.191 4.358 4.550 -0.001 0.000 0.288 113 Y C 2.060 177.897 175.900 -0.105 0.000 1.136 113 Y CA 2.043 60.106 58.100 -0.063 0.000 1.147 113 Y CB -0.255 38.159 38.460 -0.078 0.000 0.987 113 Y HN 0.401 nan 8.280 nan 0.000 0.509 114 I N -1.700 118.674 120.570 -0.327 0.000 2.546 114 I HA -0.159 4.011 4.170 -0.001 0.000 0.255 114 I C 1.808 177.730 176.117 -0.325 0.000 1.163 114 I CA 1.334 62.228 61.300 -0.676 0.000 1.457 114 I CB -0.553 37.036 38.000 -0.686 0.000 1.092 114 I HN 0.216 nan 8.210 nan 0.000 0.434 115 L N 1.089 122.250 121.223 -0.104 0.000 2.156 115 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 115 L C 2.256 179.106 176.870 -0.033 0.000 1.095 115 L CA 0.938 55.785 54.840 0.011 0.000 0.770 115 L CB -0.751 41.309 42.059 0.002 0.000 0.914 115 L HN 0.329 nan 8.230 nan 0.000 0.439 116 N N -1.199 117.451 118.700 -0.084 0.000 2.300 116 N HA -0.178 4.562 4.740 -0.001 0.000 0.179 116 N C 1.814 177.269 175.510 -0.092 0.000 1.016 116 N CA 0.899 53.907 53.050 -0.071 0.000 0.876 116 N CB -0.268 38.191 38.487 -0.048 0.000 0.979 116 N HN 0.388 nan 8.380 nan 0.000 0.432 117 H N 0.662 119.551 119.070 -0.302 0.000 2.389 117 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 117 H C 1.333 176.678 175.328 0.028 0.000 1.081 117 H CA 1.391 57.297 56.048 -0.236 0.000 1.345 117 H CB 0.351 29.812 29.762 -0.502 0.000 1.393 117 H HN 0.155 nan 8.280 nan 0.000 0.520 118 A N 0.459 123.325 122.820 0.076 0.000 2.169 118 A HA -0.002 4.318 4.320 -0.001 0.000 0.212 118 A C 0.766 178.344 177.584 -0.010 0.000 1.153 118 A CA 0.622 52.688 52.037 0.049 0.000 0.756 118 A CB -0.065 18.844 19.000 -0.152 0.000 0.813 118 A HN 0.624 nan 8.150 nan 0.000 0.471 119 E N 0.807 120.999 120.200 -0.013 0.000 2.389 119 E HA -0.146 4.204 4.350 -0.001 0.000 0.243 119 E C -1.222 175.370 176.600 -0.013 0.000 1.154 119 E CA 0.534 56.923 56.400 -0.019 0.000 0.723 119 E CB -1.608 28.081 29.700 -0.019 0.000 1.261 119 E HN 0.717 nan 8.360 nan 0.000 0.390 120 D N 0.633 121.038 120.400 0.008 0.000 2.493 120 D HA -0.037 4.603 4.640 -0.001 0.000 0.240 120 D C 1.108 177.391 176.300 -0.029 0.000 1.142 120 D CA 0.565 54.575 54.000 0.018 0.000 0.872 120 D CB 1.076 41.918 40.800 0.069 0.000 1.173 120 D HN 0.209 nan 8.370 nan 0.000 0.467 121 K N 1.166 121.552 120.400 -0.023 0.000 2.202 121 K HA 0.069 4.389 4.320 -0.001 0.000 0.201 121 K C 0.057 176.627 176.600 -0.049 0.000 1.051 121 K CA 0.415 56.683 56.287 -0.032 0.000 0.977 121 K CB 0.613 33.115 32.500 0.004 0.000 0.792 121 K HN 0.189 nan 8.250 nan 0.000 0.469 122 V N 2.021 121.915 119.914 -0.032 0.000 2.656 122 V HA 0.352 4.472 4.120 -0.001 0.000 0.307 122 V C -1.262 174.796 176.094 -0.061 0.000 1.051 122 V CA -1.053 61.225 62.300 -0.037 0.000 0.893 122 V CB 1.767 33.607 31.823 0.028 0.000 0.999 122 V HN 0.102 nan 8.190 nan 0.000 0.426 123 L N 5.344 126.504 121.223 -0.105 0.000 2.349 123 L HA 0.717 5.057 4.340 -0.001 0.000 0.278 123 L C -1.232 175.736 176.870 0.164 0.000 0.996 123 L CA -0.158 54.676 54.840 -0.009 0.000 0.825 123 L CB 1.437 43.439 42.059 -0.095 0.000 1.243 123 L HN 0.533 nan 8.230 nan 0.000 0.412 124 L N 6.625 127.932 121.223 0.140 0.000 2.296 124 L HA 0.657 4.997 4.340 -0.001 0.000 0.286 124 L C -0.707 176.251 176.870 0.147 0.000 1.023 124 L CA 0.028 54.937 54.840 0.114 0.000 0.812 124 L CB 1.245 43.333 42.059 0.049 0.000 1.223 124 L HN 0.610 nan 8.230 nan 0.000 0.421 125 F N -0.438 119.510 119.950 -0.004 0.000 2.613 125 F HA 0.637 5.164 4.527 -0.001 0.000 0.310 125 F C -0.536 175.234 175.800 -0.049 0.000 1.085 125 F CA -1.369 56.609 58.000 -0.037 0.000 0.945 125 F CB 0.820 39.819 39.000 -0.001 0.000 1.298 125 F HN 0.239 nan 8.300 nan 0.000 0.455 126 D N 3.570 124.018 120.400 0.080 0.000 2.399 126 D HA 0.233 4.873 4.640 -0.001 0.000 0.241 126 D C -1.717 174.551 176.300 -0.053 0.000 1.133 126 D CA -1.687 52.304 54.000 -0.016 0.000 0.890 126 D CB 1.158 42.043 40.800 0.143 0.000 1.201 126 D HN 0.311 nan 8.370 nan 0.000 0.432 127 P HA -0.136 nan 4.420 nan 0.000 0.216 127 P C 0.571 177.745 177.300 -0.210 0.000 1.150 127 P CA 1.213 64.170 63.100 -0.238 0.000 0.837 127 P CB -0.027 31.496 31.700 -0.296 0.000 0.786 128 N N -0.704 117.772 118.700 -0.373 0.000 2.571 128 N HA -0.055 4.685 4.740 -0.001 0.000 0.189 128 N C 0.997 176.486 175.510 -0.036 0.000 1.154 128 N CA 0.493 53.412 53.050 -0.218 0.000 0.907 128 N CB -0.876 37.462 38.487 -0.249 0.000 0.977 128 N HN 0.141 nan 8.380 nan 0.000 0.449 129 L N -0.056 121.191 121.223 0.040 0.000 2.818 129 L HA 0.266 4.606 4.340 -0.001 0.000 0.243 129 L C 1.305 178.179 176.870 0.006 0.000 1.185 129 L CA -0.269 54.605 54.840 0.058 0.000 0.988 129 L CB 0.144 42.262 42.059 0.098 0.000 1.292 129 L HN 0.190 nan 8.230 nan 0.000 0.519 130 L N 1.486 122.725 121.223 0.027 0.000 2.017 130 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 130 L C -0.523 176.258 176.870 -0.149 0.000 1.073 130 L CA 2.129 56.927 54.840 -0.069 0.000 0.745 130 L CB -0.960 41.068 42.059 -0.051 0.000 0.894 130 L HN 0.107 nan 8.230 nan 0.000 0.432 131 P HA -0.186 nan 4.420 nan 0.000 0.215 131 P C 1.906 179.154 177.300 -0.087 0.000 1.153 131 P CA 1.329 64.385 63.100 -0.074 0.000 0.853 131 P CB -0.130 31.544 31.700 -0.043 0.000 0.788 132 L N -0.780 120.386 121.223 -0.095 0.000 2.056 132 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 132 L C 2.103 178.889 176.870 -0.140 0.000 1.078 132 L CA 1.808 56.589 54.840 -0.098 0.000 0.749 132 L CB -1.099 40.908 42.059 -0.087 0.000 0.901 132 L HN -0.209 nan 8.230 nan 0.000 0.433 133 V N -0.048 119.722 119.914 -0.240 0.000 2.427 133 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 133 V C 2.627 178.603 176.094 -0.196 0.000 1.051 133 V CA 1.764 63.878 62.300 -0.309 0.000 1.048 133 V CB -0.692 30.669 31.823 -0.771 0.000 0.666 133 V HN 0.479 nan 8.190 nan 0.000 0.456 134 E N 0.268 120.371 120.200 -0.161 0.000 2.150 134 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 134 E C 2.303 178.857 176.600 -0.077 0.000 0.985 134 E CA 1.365 57.712 56.400 -0.087 0.000 0.814 134 E CB -0.212 29.451 29.700 -0.062 0.000 0.752 134 E HN 0.590 nan 8.360 nan 0.000 0.466 135 A N 1.350 124.125 122.820 -0.075 0.000 2.014 135 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 135 A C 2.138 179.692 177.584 -0.049 0.000 1.163 135 A CA 0.885 52.889 52.037 -0.055 0.000 0.652 135 A CB -0.430 18.541 19.000 -0.048 0.000 0.808 135 A HN 0.340 nan 8.150 nan 0.000 0.449 136 I N -4.927 115.610 120.570 -0.054 0.000 4.057 136 I HA 0.286 4.456 4.170 -0.001 0.000 0.334 136 I C 1.865 177.972 176.117 -0.017 0.000 1.308 136 I CA 0.111 61.392 61.300 -0.031 0.000 1.125 136 I CB 0.011 37.995 38.000 -0.026 0.000 1.034 136 I HN 0.115 nan 8.210 nan 0.000 0.401 137 R N 1.964 122.433 120.500 -0.052 0.000 2.091 137 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 137 R C 2.197 178.477 176.300 -0.033 0.000 1.136 137 R CA 1.948 58.004 56.100 -0.074 0.000 0.959 137 R CB -0.522 29.626 30.300 -0.252 0.000 0.856 137 R HN 0.563 nan 8.270 nan 0.000 0.437 138 G N -0.372 108.403 108.800 -0.042 0.000 2.471 138 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.219 138 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.219 138 G C 1.103 176.001 174.900 -0.004 0.000 1.125 138 G CA 0.359 45.443 45.100 -0.026 0.000 0.775 138 G HN 0.292 nan 8.290 nan 0.000 0.548 139 E N -0.483 119.719 120.200 0.004 0.000 2.385 139 E HA 0.203 4.552 4.350 -0.001 0.000 0.194 139 E C 0.979 177.596 176.600 0.028 0.000 1.013 139 E CA -0.231 56.177 56.400 0.013 0.000 0.866 139 E CB -0.000 29.706 29.700 0.010 0.000 0.832 139 E HN 0.344 nan 8.360 nan 0.000 0.500 140 L N 0.612 121.864 121.223 0.048 0.000 2.397 140 L HA 0.223 4.563 4.340 -0.001 0.000 0.271 140 L C 1.086 177.984 176.870 0.048 0.000 1.148 140 L CA 0.194 55.072 54.840 0.063 0.000 0.825 140 L CB 0.931 43.071 42.059 0.134 0.000 1.117 140 L HN -0.116 nan 8.230 nan 0.000 0.456 141 K N -0.203 120.211 120.400 0.024 0.000 2.425 141 K HA 0.062 4.382 4.320 -0.001 0.000 0.201 141 K C 1.301 177.899 176.600 -0.005 0.000 1.128 141 K CA 0.615 56.907 56.287 0.009 0.000 1.000 141 K CB 0.734 33.236 32.500 0.003 0.000 0.961 141 K HN 0.822 nan 8.250 nan 0.000 0.555 142 T N -2.393 112.152 114.554 -0.015 0.000 2.955 142 T HA 0.158 4.508 4.350 -0.001 0.000 0.251 142 T C 0.668 175.327 174.700 -0.067 0.000 1.002 142 T CA -0.284 61.795 62.100 -0.035 0.000 0.970 142 T CB 0.044 68.892 68.868 -0.032 0.000 1.091 142 T HN -0.221 nan 8.240 nan 0.000 0.495 143 V N 3.214 123.072 119.914 -0.093 0.000 2.450 143 V HA 0.127 4.247 4.120 -0.001 0.000 0.281 143 V C 1.116 177.070 176.094 -0.233 0.000 1.019 143 V CA 0.308 62.465 62.300 -0.240 0.000 1.062 143 V CB 0.464 32.011 31.823 -0.460 0.000 0.979 143 V HN 0.497 nan 8.190 nan 0.000 0.477 144 Q N 2.669 122.310 119.800 -0.265 0.000 2.324 144 Q HA 0.160 4.499 4.340 -0.001 0.000 0.207 144 Q C -0.195 175.511 176.000 -0.490 0.000 0.928 144 Q CA 0.645 56.242 55.803 -0.344 0.000 0.890 144 Q CB 0.495 28.988 28.738 -0.407 0.000 1.001 144 Q HN 0.879 nan 8.270 nan 0.000 0.517 145 H N -1.027 117.951 119.070 -0.153 0.000 2.529 145 H HA 0.345 4.900 4.556 -0.001 0.000 0.348 145 H C -1.490 173.733 175.328 -0.175 0.000 1.079 145 H CA -0.573 55.439 56.048 -0.061 0.000 1.198 145 H CB 1.021 30.768 29.762 -0.025 0.000 1.521 145 H HN -0.059 nan 8.280 nan 0.000 0.514 146 F N 2.521 122.588 119.950 0.195 0.000 2.375 146 F HA 0.370 4.897 4.527 -0.001 0.000 0.361 146 F C -0.416 175.609 175.800 0.375 0.000 1.117 146 F CA -0.844 57.354 58.000 0.330 0.000 1.037 146 F CB 1.147 40.337 39.000 0.317 0.000 1.192 146 F HN 0.224 nan 8.300 nan 0.000 0.452 147 V N 4.698 124.848 119.914 0.392 0.000 2.384 147 V HA 0.387 4.507 4.120 -0.001 0.000 0.287 147 V C -0.207 175.771 176.094 -0.194 0.000 1.020 147 V CA -0.948 61.441 62.300 0.148 0.000 0.850 147 V CB 1.504 33.389 31.823 0.103 0.000 0.987 147 V HN 0.420 nan 8.190 nan 0.000 0.436 148 V N 6.032 125.752 119.914 -0.324 0.000 2.461 148 V HA 0.273 4.393 4.120 -0.001 0.000 0.275 148 V C 0.638 176.534 176.094 -0.330 0.000 1.047 148 V CA -0.337 61.552 62.300 -0.685 0.000 0.955 148 V CB 1.291 32.815 31.823 -0.498 0.000 0.988 148 V HN 0.847 nan 8.190 nan 0.000 0.471 149 M N 5.229 124.590 119.600 -0.397 0.000 3.442 149 M HA 0.261 4.741 4.480 -0.001 0.000 0.232 149 M C -0.354 175.719 176.300 -0.377 0.000 1.508 149 M CA 0.717 55.787 55.300 -0.383 0.000 1.647 149 M CB -0.622 31.714 32.600 -0.440 0.000 1.126 149 M HN 0.724 nan 8.290 nan 0.000 0.557 150 D N -0.382 119.895 120.400 -0.206 0.000 2.713 150 D HA 0.158 4.798 4.640 -0.001 0.000 0.306 150 D C 0.041 176.332 176.300 -0.015 0.000 1.299 150 D CA -0.362 53.562 54.000 -0.127 0.000 0.823 150 D CB 1.117 41.855 40.800 -0.104 0.000 1.353 150 D HN 0.309 nan 8.370 nan 0.000 0.447 151 E N -0.214 119.993 120.200 0.012 0.000 2.152 151 E HA -0.016 4.334 4.350 -0.001 0.000 0.192 151 E C 0.146 176.766 176.600 0.034 0.000 0.983 151 E CA 0.696 57.123 56.400 0.044 0.000 0.818 151 E CB 0.414 30.142 29.700 0.047 0.000 0.758 151 E HN 0.035 nan 8.360 nan 0.000 0.467 152 K N -0.193 120.217 120.400 0.016 0.000 2.395 152 K HA 0.715 5.035 4.320 -0.001 0.000 0.247 152 K C -0.886 175.717 176.600 0.006 0.000 0.973 152 K CA -0.842 55.456 56.287 0.018 0.000 0.828 152 K CB 2.294 34.806 32.500 0.019 0.000 1.272 152 K HN -0.020 nan 8.250 nan 0.000 0.439 153 A N 1.679 124.516 122.820 0.028 0.000 2.549 153 A HA 0.701 5.021 4.320 -0.001 0.000 0.297 153 A C -2.676 174.955 177.584 0.079 0.000 1.061 153 A CA -1.191 50.872 52.037 0.043 0.000 0.690 153 A CB 0.965 20.018 19.000 0.088 0.000 1.287 153 A HN 0.453 nan 8.150 nan 0.000 0.402 154 P HA 0.271 nan 4.420 nan 0.000 0.274 154 P C -0.318 177.103 177.300 0.201 0.000 1.256 154 P CA -0.512 62.658 63.100 0.116 0.000 0.795 154 P CB 0.421 32.170 31.700 0.081 0.000 1.038 155 E N 0.181 120.471 120.200 0.150 0.000 2.452 155 E HA 0.147 4.496 4.350 -0.001 0.000 0.261 155 E C 1.135 177.824 176.600 0.147 0.000 0.987 155 E CA 1.532 58.005 56.400 0.122 0.000 0.926 155 E CB 0.006 29.750 29.700 0.072 0.000 0.934 155 E HN 0.801 nan 8.360 nan 0.000 0.452 156 G N 3.193 112.023 108.800 0.049 0.000 2.176 156 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.253 156 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.253 156 G C -0.403 174.309 174.900 -0.314 0.000 0.979 156 G CA 0.287 45.308 45.100 -0.132 0.000 0.641 156 G HN 0.480 nan 8.290 nan 0.000 0.530 157 Y N -1.450 118.904 120.300 0.090 0.000 2.512 157 Y HA 0.705 5.255 4.550 -0.000 0.000 0.348 157 Y C -0.034 175.938 175.900 0.119 0.000 0.990 157 Y CA -1.175 57.017 58.100 0.153 0.000 1.033 157 Y CB 1.940 40.505 38.460 0.175 0.000 1.259 157 Y HN 0.225 nan 8.280 nan 0.000 0.461 158 L N 2.584 123.978 121.223 0.286 0.000 2.307 158 L HA 0.877 5.216 4.340 -0.001 0.000 0.284 158 L C -0.277 176.662 176.870 0.114 0.000 1.023 158 L CA -0.482 54.455 54.840 0.162 0.000 0.810 158 L CB 1.055 43.193 42.059 0.132 0.000 1.231 158 L HN 0.729 nan 8.230 nan 0.000 0.423 159 A N 3.938 126.801 122.820 0.071 0.000 2.388 159 A HA 0.172 4.492 4.320 -0.001 0.000 0.257 159 A C 0.419 178.036 177.584 0.055 0.000 1.095 159 A CA -0.085 51.981 52.037 0.049 0.000 0.791 159 A CB -0.115 18.912 19.000 0.044 0.000 1.029 159 A HN 0.912 nan 8.150 nan 0.000 0.489 160 Y N 1.033 121.291 120.300 -0.069 0.000 2.165 160 Y HA -0.217 4.332 4.550 -0.000 0.000 0.286 160 Y C 1.999 177.881 175.900 -0.031 0.000 1.155 160 Y CA 2.606 60.666 58.100 -0.067 0.000 1.164 160 Y CB 0.197 38.588 38.460 -0.115 0.000 0.978 160 Y HN 0.758 nan 8.280 nan 0.000 0.513 161 E N 0.381 120.661 120.200 0.134 0.000 2.204 161 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 161 E C 1.933 178.527 176.600 -0.010 0.000 0.989 161 E CA 1.439 57.883 56.400 0.072 0.000 0.824 161 E CB -0.223 29.546 29.700 0.113 0.000 0.756 161 E HN 0.711 nan 8.360 nan 0.000 0.477 162 E N 0.600 120.794 120.200 -0.011 0.000 2.152 162 E HA -0.032 4.318 4.350 -0.001 0.000 0.192 162 E C 1.981 178.540 176.600 -0.068 0.000 0.983 162 E CA 0.735 57.121 56.400 -0.023 0.000 0.818 162 E CB -0.001 29.700 29.700 0.002 0.000 0.758 162 E HN 0.175 nan 8.360 nan 0.000 0.467 163 A N 1.341 124.090 122.820 -0.119 0.000 1.969 163 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 163 A C 1.198 178.660 177.584 -0.202 0.000 1.169 163 A CA 0.361 52.297 52.037 -0.170 0.000 0.635 163 A CB -0.500 18.372 19.000 -0.212 0.000 0.810 163 A HN 0.096 nan 8.150 nan 0.000 0.445 164 L N 0.229 121.311 121.223 -0.235 0.000 2.499 164 L HA 0.301 4.641 4.340 -0.001 0.000 0.273 164 L C 1.161 177.969 176.870 -0.104 0.000 1.195 164 L CA -0.113 54.617 54.840 -0.184 0.000 0.882 164 L CB 0.195 42.165 42.059 -0.148 0.000 1.133 164 L HN 0.342 nan 8.230 nan 0.000 0.483 165 G N 2.884 111.631 108.800 -0.088 0.000 3.099 165 G HA2 0.309 4.269 3.960 -0.001 0.000 0.151 165 G HA3 0.309 4.269 3.960 -0.001 0.000 0.151 165 G C -0.447 174.427 174.900 -0.044 0.000 1.265 165 G CA -0.501 44.561 45.100 -0.063 0.000 0.981 165 G HN 0.487 nan 8.290 nan 0.000 0.601 166 E N 0.971 121.147 120.200 -0.040 0.000 2.390 166 E HA 0.104 4.453 4.350 -0.001 0.000 0.261 166 E C -0.281 176.299 176.600 -0.035 0.000 1.076 166 E CA 0.050 56.432 56.400 -0.030 0.000 0.905 166 E CB 1.173 30.855 29.700 -0.029 0.000 0.984 166 E HN 0.393 nan 8.360 nan 0.000 0.427 167 E N 0.715 120.900 120.200 -0.025 0.000 2.292 167 E HA 0.186 4.536 4.350 -0.001 0.000 0.265 167 E C -0.698 175.874 176.600 -0.047 0.000 1.093 167 E CA -0.191 56.190 56.400 -0.032 0.000 0.922 167 E CB 0.539 30.230 29.700 -0.016 0.000 1.001 167 E HN 0.382 nan 8.360 nan 0.000 0.444 168 A N 4.535 127.310 122.820 -0.074 0.000 2.312 168 A HA 0.270 4.590 4.320 -0.001 0.000 0.328 168 A C -0.349 177.153 177.584 -0.136 0.000 1.158 168 A CA -0.882 51.097 52.037 -0.096 0.000 0.821 168 A CB 0.872 19.807 19.000 -0.108 0.000 1.170 168 A HN 0.501 nan 8.150 nan 0.000 0.490 169 D N 2.422 122.749 120.400 -0.122 0.000 2.341 169 D HA 0.384 5.024 4.640 -0.001 0.000 0.245 169 D C -2.054 174.088 176.300 -0.262 0.000 1.106 169 D CA -0.648 53.266 54.000 -0.143 0.000 0.905 169 D CB 0.712 41.468 40.800 -0.074 0.000 1.202 169 D HN 0.333 nan 8.370 nan 0.000 0.426 170 P HA 0.059 nan 4.420 nan 0.000 0.272 170 P C -0.560 176.557 177.300 -0.304 0.000 1.223 170 P CA -0.324 62.425 63.100 -0.586 0.000 0.784 170 P CB 0.733 31.818 31.700 -1.026 0.000 0.923 171 V N 3.585 123.348 119.914 -0.252 0.000 2.398 171 V HA 0.335 4.455 4.120 -0.001 0.000 0.286 171 V C 0.790 176.796 176.094 -0.146 0.000 1.026 171 V CA -0.663 61.544 62.300 -0.155 0.000 0.868 171 V CB 1.026 32.779 31.823 -0.117 0.000 0.982 171 V HN 0.463 nan 8.190 nan 0.000 0.443 172 R N 2.998 123.427 120.500 -0.117 0.000 2.265 172 R HA 0.582 4.922 4.340 -0.001 0.000 0.314 172 R C -0.467 175.765 176.300 -0.114 0.000 1.053 172 R CA -0.158 55.868 56.100 -0.123 0.000 0.931 172 R CB 1.221 31.471 30.300 -0.084 0.000 1.024 172 R HN 0.747 nan 8.270 nan 0.000 0.457 173 V N 1.922 121.744 119.914 -0.153 0.000 2.881 173 V HA 0.706 4.826 4.120 -0.001 0.000 0.316 173 V C -2.316 173.720 176.094 -0.096 0.000 1.070 173 V CA -2.974 59.265 62.300 -0.101 0.000 0.976 173 V CB 1.570 33.354 31.823 -0.064 0.000 1.038 173 V HN 0.629 nan 8.190 nan 0.000 0.446 174 P HA 0.078 nan 4.420 nan 0.000 0.264 174 P C 0.812 178.102 177.300 -0.016 0.000 1.183 174 P CA 0.344 63.427 63.100 -0.030 0.000 0.763 174 P CB 0.355 32.047 31.700 -0.013 0.000 0.807 175 E N 4.041 124.234 120.200 -0.011 0.000 2.209 175 E HA -0.238 4.112 4.350 -0.001 0.000 0.196 175 E C 1.029 177.667 176.600 0.064 0.000 0.993 175 E CA 0.922 57.338 56.400 0.026 0.000 0.819 175 E CB -0.226 29.488 29.700 0.023 0.000 0.745 175 E HN 0.319 nan 8.360 nan 0.000 0.477 176 R N 0.905 121.427 120.500 0.037 0.000 2.236 176 R HA 0.190 4.529 4.340 -0.001 0.000 0.208 176 R C 0.913 177.231 176.300 0.031 0.000 1.036 176 R CA 0.686 56.805 56.100 0.031 0.000 1.001 176 R CB -0.201 30.107 30.300 0.013 0.000 0.896 176 R HN 0.199 nan 8.270 nan 0.000 0.464 177 A N 1.483 124.329 122.820 0.044 0.000 2.366 177 A HA 0.490 4.810 4.320 -0.001 0.000 0.249 177 A C 0.180 177.800 177.584 0.060 0.000 1.084 177 A CA -0.119 51.943 52.037 0.042 0.000 0.794 177 A CB 0.305 19.329 19.000 0.040 0.000 1.034 177 A HN 0.313 nan 8.150 nan 0.000 0.491 178 A N -0.219 122.605 122.820 0.007 0.000 2.498 178 A HA 0.325 4.645 4.320 -0.001 0.000 0.239 178 A C 1.192 178.751 177.584 -0.042 0.000 1.068 178 A CA 0.283 52.296 52.037 -0.039 0.000 0.766 178 A CB -0.559 18.387 19.000 -0.090 0.000 1.003 178 A HN 1.961 nan 8.150 nan 0.000 0.497 179 C N 0.536 119.744 119.300 -0.154 0.000 3.123 179 C HA 0.674 5.134 4.460 -0.001 0.000 0.399 179 C C 0.960 175.854 174.990 -0.160 0.000 1.320 179 C CA 0.254 59.082 59.018 -0.316 0.000 1.949 179 C CB -0.581 26.655 27.740 -0.839 0.000 2.692 179 C HN 1.417 nan 8.230 nan 0.000 0.623 180 G N 0.986 109.747 108.800 -0.065 0.000 2.623 180 G HA2 0.682 4.641 3.960 -0.001 0.000 0.290 180 G HA3 0.682 4.641 3.960 -0.001 0.000 0.290 180 G C -1.380 173.563 174.900 0.071 0.000 1.437 180 G CA -0.193 44.927 45.100 0.034 0.000 0.798 180 G HN 0.848 nan 8.290 nan 0.000 0.488 181 M N -0.571 119.082 119.600 0.089 0.000 2.520 181 M HA 0.871 5.351 4.480 -0.001 0.000 0.280 181 M C -1.423 174.988 176.300 0.185 0.000 1.232 181 M CA -1.051 54.209 55.300 -0.067 0.000 0.892 181 M CB 2.250 34.692 32.600 -0.263 0.000 1.728 181 M HN 1.611 nan 8.290 nan 0.000 0.475 182 A N 1.730 124.597 122.820 0.077 0.000 2.549 182 A HA 0.810 5.130 4.320 -0.001 0.000 0.297 182 A C -2.378 175.292 177.584 0.144 0.000 1.061 182 A CA -0.512 51.707 52.037 0.303 0.000 0.690 182 A CB 1.476 20.712 19.000 0.394 0.000 1.287 182 A HN 0.807 nan 8.150 nan 0.000 0.402 183 Y N 0.310 120.755 120.300 0.242 0.000 2.342 183 Y HA 0.613 5.163 4.550 -0.001 0.000 0.334 183 Y C 1.021 177.038 175.900 0.196 0.000 1.067 183 Y CA 0.033 58.249 58.100 0.192 0.000 1.128 183 Y CB 2.221 40.799 38.460 0.196 0.000 1.200 183 Y HN 0.632 nan 8.280 nan 0.000 0.464 184 T N 0.698 115.416 114.554 0.273 0.000 2.824 184 T HA 0.276 4.626 4.350 -0.001 0.000 0.280 184 T C 0.641 175.433 174.700 0.153 0.000 0.995 184 T CA -0.450 61.786 62.100 0.227 0.000 1.009 184 T CB 0.489 69.467 68.868 0.183 0.000 0.955 184 T HN 0.784 nan 8.240 nan 0.000 0.452 185 T N 1.183 115.841 114.554 0.173 0.000 3.163 185 T HA 0.272 4.622 4.350 -0.001 0.000 0.252 185 T C 1.348 175.945 174.700 -0.171 0.000 1.056 185 T CA -0.065 62.090 62.100 0.092 0.000 0.947 185 T CB 0.019 69.024 68.868 0.229 0.000 1.016 185 T HN 0.633 nan 8.240 nan 0.000 0.554 186 G N 2.119 110.590 108.800 -0.550 0.000 3.639 186 G HA2 0.447 4.407 3.960 -0.001 0.000 0.279 186 G HA3 0.447 4.407 3.960 -0.001 0.000 0.279 186 G C 0.236 174.748 174.900 -0.646 0.000 1.312 186 G CA -0.149 44.169 45.100 -1.304 0.000 1.355 186 G HN 0.659 nan 8.290 nan 0.000 0.595 187 T N -3.390 110.945 114.554 -0.364 0.000 2.696 187 T HA 0.656 5.006 4.350 -0.001 0.000 0.291 187 T C -0.036 174.560 174.700 -0.173 0.000 1.095 187 T CA -0.514 61.440 62.100 -0.243 0.000 1.026 187 T CB 1.471 70.205 68.868 -0.224 0.000 1.390 187 T HN 0.156 nan 8.240 nan 0.000 0.513 188 T N -1.138 113.334 114.554 -0.136 0.000 2.882 188 T HA 0.651 5.001 4.350 -0.001 0.000 0.287 188 T C 1.075 175.715 174.700 -0.100 0.000 0.992 188 T CA 0.191 62.232 62.100 -0.097 0.000 1.076 188 T CB 0.443 69.265 68.868 -0.077 0.000 0.961 188 T HN 2.007 nan 8.240 nan 0.000 0.490 189 G N 2.327 111.076 108.800 -0.085 0.000 2.498 189 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.245 189 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.245 189 G C -0.471 174.349 174.900 -0.133 0.000 1.204 189 G CA -0.290 44.748 45.100 -0.104 0.000 0.933 189 G HN 0.958 nan 8.290 nan 0.000 0.574 190 L N 2.330 123.444 121.223 -0.182 0.000 2.439 190 L HA 0.432 4.772 4.340 -0.001 0.000 0.261 190 L C -1.665 175.151 176.870 -0.090 0.000 1.153 190 L CA -1.708 52.983 54.840 -0.249 0.000 0.808 190 L CB 0.858 42.585 42.059 -0.553 0.000 1.126 190 L HN 0.356 nan 8.230 nan 0.000 0.460 191 P HA 0.043 nan 4.420 nan 0.000 0.267 191 P C -1.283 176.157 177.300 0.233 0.000 1.200 191 P CA 0.001 63.203 63.100 0.170 0.000 0.772 191 P CB 0.393 32.267 31.700 0.290 0.000 0.855 192 K N 1.572 122.038 120.400 0.110 0.000 2.221 192 K HA 0.577 4.897 4.320 -0.001 0.000 0.258 192 K C 0.342 176.901 176.600 -0.069 0.000 0.944 192 K CA -0.614 55.651 56.287 -0.037 0.000 0.823 192 K CB 1.976 34.192 32.500 -0.474 0.000 1.113 192 K HN 0.559 nan 8.250 nan 0.000 0.431 193 G N 0.639 109.255 108.800 -0.306 0.000 2.367 193 G HA2 0.496 4.456 3.960 -0.001 0.000 0.314 193 G HA3 0.496 4.456 3.960 -0.001 0.000 0.314 193 G C -0.874 173.874 174.900 -0.254 0.000 1.130 193 G CA -0.459 44.160 45.100 -0.802 0.000 0.864 193 G HN 0.240 nan 8.290 nan 0.000 0.486 194 V N 2.145 121.832 119.914 -0.378 0.000 2.487 194 V HA 0.366 4.485 4.120 -0.001 0.000 0.298 194 V C -0.290 175.399 176.094 -0.675 0.000 1.028 194 V CA -0.653 61.390 62.300 -0.428 0.000 0.860 194 V CB 1.842 33.419 31.823 -0.409 0.000 0.991 194 V HN 0.566 nan 8.190 nan 0.000 0.427 195 V N 5.669 125.245 119.914 -0.564 0.000 2.347 195 V HA 0.447 4.567 4.120 -0.001 0.000 0.280 195 V C -0.666 175.145 176.094 -0.471 0.000 1.021 195 V CA -0.819 61.172 62.300 -0.516 0.000 0.847 195 V CB 0.719 32.337 31.823 -0.342 0.000 0.990 195 V HN 0.715 nan 8.190 nan 0.000 0.444 196 Y N 2.296 122.515 120.300 -0.134 0.000 2.307 196 Y HA 0.556 5.106 4.550 -0.000 0.000 0.324 196 Y C 1.045 176.863 175.900 -0.137 0.000 1.238 196 Y CA -0.518 57.505 58.100 -0.127 0.000 1.280 196 Y CB 1.115 39.489 38.460 -0.144 0.000 1.248 196 Y HN 0.704 nan 8.280 nan 0.000 0.508 197 S N 0.185 115.918 115.700 0.054 0.000 2.681 197 S HA 0.306 4.776 4.470 -0.001 0.000 0.299 197 S C 0.587 175.164 174.600 -0.038 0.000 1.113 197 S CA -0.768 57.435 58.200 0.005 0.000 1.013 197 S CB 0.946 64.168 63.200 0.037 0.000 1.076 197 S HN 0.769 nan 8.310 nan 0.000 0.534 198 H N 1.050 120.093 119.070 -0.046 0.000 2.352 198 H HA -0.104 4.451 4.556 -0.001 0.000 0.299 198 H C 2.346 177.629 175.328 -0.074 0.000 1.097 198 H CA 2.243 58.235 56.048 -0.094 0.000 1.311 198 H CB -0.063 29.653 29.762 -0.077 0.000 1.377 198 H HN 0.720 nan 8.280 nan 0.000 0.504 199 R N 0.954 121.519 120.500 0.109 0.000 2.083 199 R HA -0.131 4.209 4.340 -0.001 0.000 0.237 199 R C 2.459 178.831 176.300 0.121 0.000 1.137 199 R CA 1.420 57.575 56.100 0.092 0.000 0.951 199 R CB -0.232 30.118 30.300 0.083 0.000 0.851 199 R HN 0.235 nan 8.270 nan 0.000 0.434 200 A N 1.375 124.270 122.820 0.125 0.000 1.865 200 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 200 A C 2.280 179.954 177.584 0.150 0.000 1.191 200 A CA 1.463 53.630 52.037 0.215 0.000 0.623 200 A CB -0.608 18.514 19.000 0.203 0.000 0.826 200 A HN 0.377 nan 8.150 nan 0.000 0.444 201 L N -0.619 120.589 121.223 -0.025 0.000 2.156 201 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 201 L C 2.466 179.316 176.870 -0.034 0.000 1.095 201 L CA 0.636 55.390 54.840 -0.143 0.000 0.770 201 L CB -0.534 41.311 42.059 -0.357 0.000 0.914 201 L HN 0.240 nan 8.230 nan 0.000 0.439 202 V N 0.314 120.215 119.914 -0.022 0.000 2.307 202 V HA -0.261 3.858 4.120 -0.001 0.000 0.245 202 V C 2.414 178.624 176.094 0.194 0.000 1.045 202 V CA 1.528 63.885 62.300 0.095 0.000 1.024 202 V CB -0.250 31.556 31.823 -0.029 0.000 0.651 202 V HN 0.325 nan 8.190 nan 0.000 0.449 203 L N -0.562 120.763 121.223 0.171 0.000 2.083 203 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 203 L C 2.644 179.495 176.870 -0.032 0.000 1.083 203 L CA 1.832 56.806 54.840 0.223 0.000 0.752 203 L CB -0.844 41.479 42.059 0.440 0.000 0.899 203 L HN 0.486 nan 8.230 nan 0.000 0.433 204 H N -0.191 118.622 119.070 -0.428 0.000 2.353 204 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 204 H C 2.247 177.262 175.328 -0.522 0.000 1.090 204 H CA 1.888 57.282 56.048 -1.090 0.000 1.327 204 H CB 0.306 29.479 29.762 -0.981 0.000 1.383 204 H HN 0.227 nan 8.280 nan 0.000 0.508 205 S N 0.641 116.300 115.700 -0.068 0.000 2.368 205 S HA -0.087 4.383 4.470 -0.001 0.000 0.225 205 S C 2.542 177.072 174.600 -0.117 0.000 1.030 205 S CA 1.028 59.224 58.200 -0.007 0.000 0.999 205 S CB -0.173 63.160 63.200 0.222 0.000 0.844 205 S HN 0.293 nan 8.310 nan 0.000 0.459 206 L N 1.087 122.275 121.223 -0.059 0.000 1.988 206 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 206 L C 2.829 179.643 176.870 -0.094 0.000 1.071 206 L CA 1.334 56.142 54.840 -0.054 0.000 0.744 206 L CB -0.706 41.376 42.059 0.038 0.000 0.893 206 L HN 0.313 nan 8.230 nan 0.000 0.433 207 A N -0.170 122.585 122.820 -0.108 0.000 1.933 207 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 207 A C 2.373 179.875 177.584 -0.136 0.000 1.175 207 A CA 1.773 53.774 52.037 -0.060 0.000 0.628 207 A CB -0.729 18.333 19.000 0.103 0.000 0.814 207 A HN 0.424 nan 8.150 nan 0.000 0.444 208 A N -1.180 121.467 122.820 -0.288 0.000 2.167 208 A HA 0.167 4.486 4.320 -0.001 0.000 0.214 208 A C 2.032 179.510 177.584 -0.176 0.000 1.151 208 A CA 1.347 53.230 52.037 -0.258 0.000 0.735 208 A CB -0.340 18.399 19.000 -0.434 0.000 0.802 208 A HN 0.372 nan 8.150 nan 0.000 0.467 209 S N -0.298 115.296 115.700 -0.176 0.000 2.575 209 S HA 0.279 4.749 4.470 -0.001 0.000 0.215 209 S C 0.605 175.112 174.600 -0.155 0.000 0.966 209 S CA -0.330 57.764 58.200 -0.177 0.000 0.911 209 S CB -0.321 62.767 63.200 -0.188 0.000 0.780 209 S HN 0.483 nan 8.310 nan 0.000 0.514 210 L N 0.708 121.853 121.223 -0.130 0.000 2.479 210 L HA 0.119 4.458 4.340 -0.001 0.000 0.270 210 L C 1.753 178.537 176.870 -0.144 0.000 1.236 210 L CA -0.388 54.379 54.840 -0.121 0.000 0.823 210 L CB 0.224 42.222 42.059 -0.103 0.000 1.098 210 L HN -0.041 nan 8.230 nan 0.000 0.500 211 V N 0.117 119.944 119.914 -0.146 0.000 2.324 211 V HA -0.288 3.831 4.120 -0.001 0.000 0.250 211 V C 1.506 177.465 176.094 -0.224 0.000 1.060 211 V CA 1.945 64.152 62.300 -0.155 0.000 1.042 211 V CB -0.514 31.229 31.823 -0.133 0.000 0.650 211 V HN 0.806 nan 8.190 nan 0.000 0.450 212 D N -0.121 120.066 120.400 -0.354 0.000 2.378 212 D HA 0.058 4.697 4.640 -0.001 0.000 0.227 212 D C 1.259 177.326 176.300 -0.388 0.000 1.012 212 D CA 1.051 54.639 54.000 -0.685 0.000 0.905 212 D CB 0.214 40.307 40.800 -1.179 0.000 0.895 212 D HN 0.537 nan 8.370 nan 0.000 0.532 213 G N 0.323 109.012 108.800 -0.186 0.000 3.374 213 G HA2 0.051 4.011 3.960 -0.001 0.000 0.200 213 G HA3 0.051 4.011 3.960 -0.001 0.000 0.200 213 G C 1.206 176.094 174.900 -0.021 0.000 1.801 213 G CA 0.519 45.581 45.100 -0.064 0.000 0.842 213 G HN 0.201 nan 8.290 nan 0.000 0.688 214 T N -2.007 112.519 114.554 -0.048 0.000 3.081 214 T HA 0.393 4.742 4.350 -0.001 0.000 0.255 214 T C 1.532 176.128 174.700 -0.174 0.000 1.113 214 T CA 1.297 63.363 62.100 -0.057 0.000 1.082 214 T CB 0.001 68.758 68.868 -0.186 0.000 0.939 214 T HN 1.868 nan 8.240 nan 0.000 0.506 215 A N 0.893 123.617 122.820 -0.160 0.000 2.687 215 A HA -0.114 4.206 4.320 -0.001 0.000 0.299 215 A C 0.348 177.805 177.584 -0.212 0.000 1.497 215 A CA 0.371 52.315 52.037 -0.156 0.000 0.751 215 A CB -2.614 16.327 19.000 -0.099 0.000 1.048 215 A HN 0.689 nan 8.150 nan 0.000 0.464 216 L N 0.138 121.191 121.223 -0.284 0.000 2.453 216 L HA 0.425 4.765 4.340 -0.001 0.000 0.272 216 L C 0.889 177.618 176.870 -0.234 0.000 1.182 216 L CA 0.849 55.492 54.840 -0.328 0.000 0.858 216 L CB 1.390 43.229 42.059 -0.366 0.000 1.120 216 L HN 0.712 nan 8.230 nan 0.000 0.474 217 S N 1.237 116.807 115.700 -0.217 0.000 2.618 217 S HA 0.152 4.622 4.470 -0.001 0.000 0.277 217 S C 0.592 175.063 174.600 -0.214 0.000 1.138 217 S CA -0.675 57.413 58.200 -0.187 0.000 0.844 217 S CB 1.762 64.883 63.200 -0.132 0.000 1.127 217 S HN 0.726 nan 8.310 nan 0.000 0.474 218 E N 2.030 122.075 120.200 -0.258 0.000 2.118 218 E HA -0.185 4.164 4.350 -0.001 0.000 0.195 218 E C 1.502 177.993 176.600 -0.183 0.000 0.992 218 E CA 1.749 57.947 56.400 -0.337 0.000 0.804 218 E CB -0.148 29.308 29.700 -0.406 0.000 0.741 218 E HN 0.739 nan 8.360 nan 0.000 0.458 219 K N 0.293 120.623 120.400 -0.116 0.000 2.432 219 K HA -0.010 4.310 4.320 -0.001 0.000 0.196 219 K C 0.248 176.824 176.600 -0.042 0.000 1.038 219 K CA 0.283 56.534 56.287 -0.060 0.000 0.986 219 K CB 0.115 32.592 32.500 -0.040 0.000 0.782 219 K HN -0.112 nan 8.250 nan 0.000 0.485 220 D N 1.653 122.017 120.400 -0.059 0.000 2.362 220 D HA 0.088 4.728 4.640 -0.001 0.000 0.242 220 D C -0.667 175.636 176.300 0.007 0.000 1.132 220 D CA -0.079 53.908 54.000 -0.021 0.000 0.907 220 D CB 1.800 42.565 40.800 -0.060 0.000 1.195 220 D HN -0.142 nan 8.370 nan 0.000 0.429 221 V N 2.648 122.596 119.914 0.057 0.000 2.326 221 V HA 0.186 4.306 4.120 -0.001 0.000 0.281 221 V C 0.167 176.336 176.094 0.125 0.000 1.015 221 V CA -0.768 61.572 62.300 0.067 0.000 0.823 221 V CB 1.668 33.526 31.823 0.059 0.000 1.009 221 V HN 0.209 nan 8.190 nan 0.000 0.436 222 V N 6.473 126.458 119.914 0.119 0.000 2.394 222 V HA 0.470 4.589 4.120 -0.001 0.000 0.282 222 V C -0.237 175.933 176.094 0.127 0.000 1.031 222 V CA -0.466 61.956 62.300 0.202 0.000 0.881 222 V CB 1.686 33.614 31.823 0.176 0.000 0.982 222 V HN 0.713 nan 8.190 nan 0.000 0.451 223 L N 8.663 129.968 121.223 0.137 0.000 2.353 223 L HA 0.600 4.939 4.340 -0.001 0.000 0.270 223 L C -2.552 174.335 176.870 0.029 0.000 1.003 223 L CA -1.537 53.321 54.840 0.030 0.000 0.862 223 L CB 2.036 44.069 42.059 -0.044 0.000 1.221 223 L HN 0.409 nan 8.230 nan 0.000 0.430 224 P HA 0.140 nan 4.420 nan 0.000 0.284 224 P C 0.585 177.774 177.300 -0.185 0.000 1.343 224 P CA -0.202 62.844 63.100 -0.089 0.000 0.826 224 P CB 1.359 32.975 31.700 -0.140 0.000 0.956 225 V N 3.785 123.587 119.914 -0.186 0.000 2.649 225 V HA -0.077 4.042 4.120 -0.001 0.000 0.248 225 V C 1.455 177.280 176.094 -0.449 0.000 1.054 225 V CA 0.636 62.758 62.300 -0.298 0.000 1.073 225 V CB -0.017 31.593 31.823 -0.355 0.000 0.699 225 V HN 0.331 nan 8.190 nan 0.000 0.463 226 V N 3.411 122.983 119.914 -0.571 0.000 2.557 226 V HA 0.094 4.213 4.120 -0.001 0.000 0.301 226 V C -2.046 173.610 176.094 -0.730 0.000 1.026 226 V CA -1.322 60.477 62.300 -0.834 0.000 1.137 226 V CB 0.937 31.877 31.823 -1.471 0.000 0.917 226 V HN 0.269 nan 8.190 nan 0.000 0.484 227 P HA 0.180 nan 4.420 nan 0.000 0.271 227 P C 0.468 177.235 177.300 -0.888 0.000 1.218 227 P CA 0.008 62.479 63.100 -1.049 0.000 0.780 227 P CB 0.454 30.982 31.700 -1.953 0.000 0.901 228 M N 1.818 120.983 119.600 -0.725 0.000 2.700 228 M HA -0.008 4.472 4.480 -0.001 0.000 0.249 228 M C 0.394 176.577 176.300 -0.195 0.000 1.082 228 M CA 1.296 56.297 55.300 -0.498 0.000 1.077 228 M CB -0.550 31.538 32.600 -0.853 0.000 1.477 228 M HN 0.383 nan 8.290 nan 0.000 0.529 229 F N -3.715 116.182 119.950 -0.089 0.000 2.653 229 F HA 0.302 4.829 4.527 -0.000 0.000 0.304 229 F C 0.188 176.106 175.800 0.196 0.000 1.092 229 F CA -0.669 57.357 58.000 0.043 0.000 1.279 229 F CB -0.806 38.189 39.000 -0.007 0.000 1.044 229 F HN -0.011 nan 8.300 nan 0.000 0.564 230 H N 1.907 120.882 119.070 -0.159 0.000 2.724 230 H HA 0.389 4.945 4.556 -0.001 0.000 0.278 230 H C 0.248 175.622 175.328 0.076 0.000 1.159 230 H CA -0.699 55.342 56.048 -0.012 0.000 1.254 230 H CB 1.102 30.748 29.762 -0.192 0.000 1.412 230 H HN 0.052 nan 8.280 nan 0.000 0.488 231 V N 2.686 122.759 119.914 0.265 0.000 5.482 231 V HA -0.384 3.736 4.120 -0.001 0.000 0.262 231 V C 0.302 176.449 176.094 0.088 0.000 0.664 231 V CA 1.369 63.791 62.300 0.203 0.000 0.609 231 V CB -2.443 29.531 31.823 0.252 0.000 0.306 231 V HN 1.135 nan 8.190 nan 0.000 0.731 232 N N -1.532 117.210 118.700 0.070 0.000 2.725 232 N HA -0.102 4.638 4.740 -0.001 0.000 0.251 232 N C 0.626 176.178 175.510 0.071 0.000 1.031 232 N CA 0.970 54.065 53.050 0.074 0.000 0.720 232 N CB -0.942 37.518 38.487 -0.046 0.000 0.930 232 N HN 2.327 nan 8.380 nan 0.000 0.543 233 A N -0.891 121.881 122.820 -0.080 0.000 2.745 233 A HA -0.213 4.107 4.320 -0.001 0.000 0.296 233 A C 0.851 178.400 177.584 -0.059 0.000 1.500 233 A CA 1.359 53.239 52.037 -0.263 0.000 0.766 233 A CB -1.973 16.838 19.000 -0.315 0.000 1.030 233 A HN 0.880 nan 8.150 nan 0.000 0.489 234 W N -4.132 117.180 121.300 0.019 0.000 4.233 234 W HA -0.271 4.389 4.660 -0.001 0.000 0.328 234 W C 1.306 177.875 176.519 0.084 0.000 1.212 234 W CA 0.151 57.526 57.345 0.049 0.000 0.752 234 W CB -2.352 27.164 29.460 0.095 0.000 2.277 234 W HN 1.762 nan 8.180 nan 0.000 1.465 235 C N -1.394 118.042 119.300 0.227 0.000 4.497 235 C HA -0.330 4.130 4.460 -0.001 0.000 0.268 235 C C 2.506 177.651 174.990 0.257 0.000 1.343 235 C CA 0.849 60.017 59.018 0.249 0.000 1.742 235 C CB -1.740 26.122 27.740 0.204 0.000 1.450 235 C HN 0.567 nan 8.230 nan 0.000 0.733 236 L N 0.533 121.871 121.223 0.193 0.000 2.046 236 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 236 L C -0.179 176.734 176.870 0.071 0.000 1.077 236 L CA 2.607 57.536 54.840 0.147 0.000 0.747 236 L CB -1.010 41.150 42.059 0.168 0.000 0.896 236 L HN 0.325 nan 8.230 nan 0.000 0.432 237 P HA -0.167 nan 4.420 nan 0.000 0.220 237 P C 0.931 178.256 177.300 0.041 0.000 1.148 237 P CA 1.421 64.457 63.100 -0.107 0.000 0.803 237 P CB -0.025 31.410 31.700 -0.442 0.000 0.782 238 Y N -0.351 120.064 120.300 0.192 0.000 2.184 238 Y HA -0.060 4.490 4.550 -0.001 0.000 0.290 238 Y C 2.625 178.645 175.900 0.200 0.000 1.129 238 Y CA 0.748 59.047 58.100 0.331 0.000 1.144 238 Y CB -0.813 37.839 38.460 0.320 0.000 0.995 238 Y HN -0.105 nan 8.280 nan 0.000 0.513 239 A N 0.053 123.002 122.820 0.215 0.000 1.969 239 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 239 A C 2.304 179.822 177.584 -0.110 0.000 1.169 239 A CA 1.464 53.477 52.037 -0.039 0.000 0.635 239 A CB -0.993 17.989 19.000 -0.030 0.000 0.810 239 A HN 0.410 nan 8.150 nan 0.000 0.445 240 A N -0.995 121.818 122.820 -0.012 0.000 1.969 240 A HA -0.023 4.296 4.320 -0.001 0.000 0.218 240 A C 2.245 179.827 177.584 -0.003 0.000 1.169 240 A CA 2.079 54.105 52.037 -0.018 0.000 0.635 240 A CB -0.996 18.037 19.000 0.055 0.000 0.810 240 A HN 0.404 nan 8.150 nan 0.000 0.445 241 T N 0.242 114.843 114.554 0.078 0.000 2.857 241 T HA -0.098 4.252 4.350 -0.001 0.000 0.266 241 T C 1.852 176.397 174.700 -0.258 0.000 1.048 241 T CA 1.371 63.439 62.100 -0.052 0.000 1.139 241 T CB -0.368 68.678 68.868 0.298 0.000 0.874 241 T HN 0.414 nan 8.240 nan 0.000 0.455 242 L N 2.468 123.488 121.223 -0.339 0.000 2.012 242 L HA -0.076 4.264 4.340 -0.001 0.000 0.210 242 L C 2.416 179.062 176.870 -0.373 0.000 1.073 242 L CA 1.765 56.242 54.840 -0.605 0.000 0.748 242 L CB -0.717 40.658 42.059 -1.140 0.000 0.891 242 L HN 0.255 nan 8.230 nan 0.000 0.431 243 V N -2.710 116.989 119.914 -0.358 0.000 3.129 243 V HA 0.405 4.524 4.120 -0.001 0.000 0.259 243 V C 1.690 177.390 176.094 -0.657 0.000 1.116 243 V CA 0.500 62.572 62.300 -0.380 0.000 1.127 243 V CB -0.965 30.671 31.823 -0.311 0.000 0.742 243 V HN 0.772 nan 8.190 nan 0.000 0.474 244 G N 0.079 108.511 108.800 -0.614 0.000 2.137 244 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.237 244 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.237 244 G C 0.323 174.991 174.900 -0.386 0.000 1.002 244 G CA 0.278 44.897 45.100 -0.803 0.000 0.702 244 G HN 1.616 nan 8.290 nan 0.000 0.515 245 A N -0.208 122.495 122.820 -0.196 0.000 2.425 245 A HA 0.582 4.902 4.320 -0.001 0.000 0.242 245 A C 0.843 178.483 177.584 0.093 0.000 1.077 245 A CA 0.723 52.719 52.037 -0.068 0.000 0.781 245 A CB 0.356 19.308 19.000 -0.080 0.000 1.020 245 A HN 0.771 nan 8.150 nan 0.000 0.494 246 K N 1.244 121.665 120.400 0.036 0.000 2.401 246 K HA 0.109 4.429 4.320 -0.001 0.000 0.278 246 K C -0.385 176.215 176.600 0.001 0.000 1.018 246 K CA 0.380 56.672 56.287 0.008 0.000 0.981 246 K CB 0.202 32.699 32.500 -0.006 0.000 0.933 246 K HN 0.757 nan 8.250 nan 0.000 0.477 247 Q N 2.697 122.465 119.800 -0.054 0.000 2.316 247 Q HA 0.345 4.684 4.340 -0.001 0.000 0.264 247 Q C -1.284 174.686 176.000 -0.049 0.000 0.987 247 Q CA -0.998 54.784 55.803 -0.036 0.000 0.852 247 Q CB 2.411 31.121 28.738 -0.046 0.000 1.287 247 Q HN 0.334 nan 8.270 nan 0.000 0.448 248 V N 4.519 124.413 119.914 -0.034 0.000 2.350 248 V HA 0.382 4.502 4.120 -0.001 0.000 0.285 248 V C -0.522 175.533 176.094 -0.066 0.000 1.014 248 V CA -0.621 61.648 62.300 -0.050 0.000 0.831 248 V CB 1.083 32.870 31.823 -0.060 0.000 1.000 248 V HN 0.617 nan 8.190 nan 0.000 0.433 249 L N 7.720 128.913 121.223 -0.050 0.000 2.276 249 L HA 0.443 4.782 4.340 -0.001 0.000 0.286 249 L C -1.403 175.437 176.870 -0.050 0.000 1.024 249 L CA -1.437 53.368 54.840 -0.059 0.000 0.826 249 L CB 2.162 44.200 42.059 -0.034 0.000 1.211 249 L HN 0.381 nan 8.230 nan 0.000 0.422 250 P HA 0.023 nan 4.420 nan 0.000 0.231 250 P C 0.845 178.095 177.300 -0.084 0.000 1.168 250 P CA 0.869 63.899 63.100 -0.116 0.000 0.779 250 P CB 0.600 32.194 31.700 -0.177 0.000 0.844 251 G N 1.392 110.172 108.800 -0.034 0.000 2.645 251 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.239 251 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.239 251 G C -1.823 172.977 174.900 -0.168 0.000 1.331 251 G CA 0.171 45.272 45.100 0.003 0.000 0.890 251 G HN 0.069 nan 8.290 nan 0.000 0.572 252 P HA -0.015 nan 4.420 nan 0.000 0.223 252 P C 0.768 177.794 177.300 -0.457 0.000 1.151 252 P CA 0.835 63.375 63.100 -0.933 0.000 0.787 252 P CB 0.084 31.091 31.700 -1.156 0.000 0.788 253 R N 0.883 121.214 120.500 -0.280 0.000 2.309 253 R HA 0.264 4.604 4.340 -0.001 0.000 0.331 253 R C 0.827 177.013 176.300 -0.189 0.000 1.116 253 R CA -0.087 55.893 56.100 -0.201 0.000 0.970 253 R CB -0.104 30.103 30.300 -0.155 0.000 1.024 253 R HN 0.235 nan 8.270 nan 0.000 0.472 254 L N 2.410 123.523 121.223 -0.182 0.000 2.857 254 L HA 0.097 4.437 4.340 -0.001 0.000 0.249 254 L C 0.465 177.243 176.870 -0.152 0.000 1.172 254 L CA -0.262 54.470 54.840 -0.180 0.000 0.980 254 L CB -0.158 41.783 42.059 -0.196 0.000 1.299 254 L HN 0.618 nan 8.230 nan 0.000 0.535 255 D N 0.188 120.505 120.400 -0.139 0.000 2.399 255 D HA 0.032 4.672 4.640 -0.001 0.000 0.241 255 D C -1.966 174.228 176.300 -0.177 0.000 1.133 255 D CA -1.338 52.584 54.000 -0.130 0.000 0.890 255 D CB 1.678 42.411 40.800 -0.110 0.000 1.201 255 D HN -0.131 nan 8.370 nan 0.000 0.432 256 P HA -0.213 nan 4.420 nan 0.000 0.216 256 P C 1.361 178.292 177.300 -0.616 0.000 1.154 256 P CA 2.398 65.286 63.100 -0.354 0.000 0.865 256 P CB -0.009 31.444 31.700 -0.413 0.000 0.789 257 A N -0.914 121.520 122.820 -0.644 0.000 1.902 257 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 257 A C 2.354 179.784 177.584 -0.257 0.000 1.181 257 A CA 2.176 53.918 52.037 -0.491 0.000 0.623 257 A CB -1.461 17.402 19.000 -0.228 0.000 0.818 257 A HN 0.149 nan 8.150 nan 0.000 0.443 258 S N -0.135 115.441 115.700 -0.206 0.000 2.383 258 S HA -0.037 4.433 4.470 -0.001 0.000 0.227 258 S C 1.800 176.292 174.600 -0.180 0.000 1.026 258 S CA 1.296 59.399 58.200 -0.162 0.000 0.981 258 S CB -0.386 62.724 63.200 -0.149 0.000 0.818 258 S HN 0.512 nan 8.310 nan 0.000 0.472 259 L N 0.864 121.968 121.223 -0.199 0.000 2.072 259 L HA -0.040 4.300 4.340 -0.001 0.000 0.205 259 L C 2.348 179.104 176.870 -0.191 0.000 1.079 259 L CA 0.795 55.470 54.840 -0.274 0.000 0.752 259 L CB -0.764 41.203 42.059 -0.154 0.000 0.906 259 L HN 0.183 nan 8.230 nan 0.000 0.436 260 V N 0.198 120.128 119.914 0.027 0.000 2.332 260 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 260 V C 2.537 178.680 176.094 0.082 0.000 1.055 260 V CA 2.059 64.461 62.300 0.170 0.000 1.038 260 V CB -0.502 31.288 31.823 -0.056 0.000 0.651 260 V HN 0.525 nan 8.190 nan 0.000 0.450 261 E N -0.134 120.049 120.200 -0.028 0.000 2.118 261 E HA -0.232 4.118 4.350 -0.001 0.000 0.195 261 E C 2.148 178.735 176.600 -0.021 0.000 0.992 261 E CA 1.471 57.860 56.400 -0.019 0.000 0.804 261 E CB -0.081 29.589 29.700 -0.050 0.000 0.741 261 E HN 0.604 nan 8.360 nan 0.000 0.458 262 L N -0.387 120.778 121.223 -0.097 0.000 2.131 262 L HA -0.067 4.273 4.340 -0.001 0.000 0.206 262 L C 2.276 179.102 176.870 -0.072 0.000 1.087 262 L CA 0.326 55.087 54.840 -0.133 0.000 0.767 262 L CB -0.347 41.565 42.059 -0.245 0.000 0.917 262 L HN 0.108 nan 8.230 nan 0.000 0.441 263 F N 0.914 120.874 119.950 0.016 0.000 2.095 263 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 263 F C 2.343 178.169 175.800 0.044 0.000 1.104 263 F CA 1.509 59.529 58.000 0.034 0.000 1.232 263 F CB -0.500 38.533 39.000 0.054 0.000 0.987 263 F HN 0.136 nan 8.300 nan 0.000 0.475 264 D N -0.960 119.595 120.400 0.258 0.000 2.162 264 D HA 0.002 4.642 4.640 -0.001 0.000 0.205 264 D C 2.538 178.902 176.300 0.107 0.000 0.964 264 D CA 1.315 55.421 54.000 0.177 0.000 0.847 264 D CB -1.047 39.873 40.800 0.199 0.000 0.988 264 D HN 0.285 nan 8.370 nan 0.000 0.480 265 G N 0.838 109.684 108.800 0.077 0.000 2.422 265 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 265 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 265 G C 1.384 176.299 174.900 0.025 0.000 1.146 265 G CA 0.615 45.738 45.100 0.038 0.000 0.769 265 G HN 0.133 nan 8.290 nan 0.000 0.547 266 E N -0.126 120.090 120.200 0.027 0.000 2.498 266 E HA 0.188 4.538 4.350 -0.001 0.000 0.203 266 E C 1.493 178.116 176.600 0.038 0.000 1.013 266 E CA 0.413 56.823 56.400 0.015 0.000 0.927 266 E CB 0.247 29.942 29.700 -0.009 0.000 1.012 266 E HN 0.372 nan 8.360 nan 0.000 0.482 267 G N 1.928 110.768 108.800 0.067 0.000 2.272 267 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.280 267 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.280 267 G C 0.377 175.334 174.900 0.094 0.000 1.067 267 G CA 0.328 45.473 45.100 0.075 0.000 0.902 267 G HN 0.139 nan 8.290 nan 0.000 0.500 268 V N 0.643 120.645 119.914 0.147 0.000 2.540 268 V HA 0.303 4.423 4.120 -0.001 0.000 0.297 268 V C 1.843 178.034 176.094 0.162 0.000 1.024 268 V CA 1.369 63.781 62.300 0.186 0.000 1.105 268 V CB 0.942 32.962 31.823 0.328 0.000 0.938 268 V HN 0.889 nan 8.190 nan 0.000 0.482 269 T N 1.566 116.204 114.554 0.141 0.000 3.000 269 T HA 0.229 4.578 4.350 -0.001 0.000 0.248 269 T C 0.022 174.818 174.700 0.160 0.000 1.034 269 T CA 0.090 62.259 62.100 0.115 0.000 1.060 269 T CB 0.168 69.093 68.868 0.094 0.000 0.983 269 T HN 0.350 nan 8.240 nan 0.000 0.482 270 F N 1.376 121.346 119.950 0.034 0.000 2.556 270 F HA 0.680 5.207 4.527 -0.001 0.000 0.314 270 F C -0.841 175.005 175.800 0.076 0.000 1.106 270 F CA -0.450 57.564 58.000 0.023 0.000 0.911 270 F CB 2.430 41.437 39.000 0.011 0.000 1.190 270 F HN 0.053 nan 8.300 nan 0.000 0.448 271 T N 3.735 117.847 114.554 -0.737 0.000 2.868 271 T HA 0.843 5.193 4.350 -0.001 0.000 0.306 271 T C -1.916 172.481 174.700 -0.505 0.000 1.224 271 T CA -0.328 61.551 62.100 -0.368 0.000 1.012 271 T CB 1.382 70.314 68.868 0.107 0.000 1.221 271 T HN 1.113 nan 8.240 nan 0.000 0.499 272 A N 1.293 124.120 122.820 0.012 0.000 2.455 272 A HA 0.984 5.303 4.320 -0.001 0.000 0.300 272 A C -0.033 177.756 177.584 0.342 0.000 1.040 272 A CA -0.046 52.144 52.037 0.255 0.000 0.697 272 A CB 1.566 20.760 19.000 0.323 0.000 1.265 272 A HN 1.490 nan 8.150 nan 0.000 0.407 273 G N -0.542 108.576 108.800 0.530 0.000 2.488 273 G HA2 0.681 4.641 3.960 -0.001 0.000 0.301 273 G HA3 0.681 4.641 3.960 -0.001 0.000 0.301 273 G C -0.623 174.344 174.900 0.111 0.000 1.339 273 G CA 0.202 45.239 45.100 -0.106 0.000 0.803 273 G HN 1.969 nan 8.290 nan 0.000 0.482 274 V N -1.404 118.389 119.914 -0.201 0.000 2.953 274 V HA 0.559 4.679 4.120 -0.001 0.000 0.304 274 V C -1.380 174.648 176.094 -0.110 0.000 1.073 274 V CA -1.351 60.963 62.300 0.024 0.000 1.064 274 V CB 1.491 33.331 31.823 0.030 0.000 1.047 274 V HN 0.471 nan 8.190 nan 0.000 0.478 275 P HA -0.107 nan 4.420 nan 0.000 0.216 275 P C 1.770 179.112 177.300 0.071 0.000 1.153 275 P CA 2.019 65.216 63.100 0.163 0.000 0.858 275 P CB -0.094 31.708 31.700 0.170 0.000 0.789 276 T N -0.675 113.881 114.554 0.003 0.000 2.699 276 T HA -0.129 4.220 4.350 -0.001 0.000 0.268 276 T C 1.832 176.464 174.700 -0.113 0.000 1.036 276 T CA 1.384 63.451 62.100 -0.055 0.000 1.147 276 T CB -1.049 67.809 68.868 -0.016 0.000 0.862 276 T HN -0.101 nan 8.240 nan 0.000 0.446 277 V N -0.206 119.570 119.914 -0.229 0.000 2.343 277 V HA -0.159 3.960 4.120 -0.001 0.000 0.247 277 V C 2.046 178.065 176.094 -0.126 0.000 1.051 277 V CA 1.459 63.561 62.300 -0.331 0.000 1.036 277 V CB -0.662 30.750 31.823 -0.685 0.000 0.654 277 V HN 0.669 nan 8.190 nan 0.000 0.451 278 W N -0.722 120.627 121.300 0.081 0.000 2.467 278 W HA 0.007 4.667 4.660 -0.000 0.000 0.275 278 W C 2.204 178.875 176.519 0.254 0.000 1.239 278 W CA -0.123 57.323 57.345 0.169 0.000 1.266 278 W CB -0.237 29.276 29.460 0.088 0.000 1.112 278 W HN 0.196 nan 8.180 nan 0.000 0.576 279 L N 0.170 121.590 121.223 0.328 0.000 2.056 279 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 279 L C 2.713 179.659 176.870 0.126 0.000 1.078 279 L CA 1.307 56.262 54.840 0.192 0.000 0.749 279 L CB -0.983 41.127 42.059 0.085 0.000 0.901 279 L HN -0.031 nan 8.230 nan 0.000 0.433 280 A N -0.309 122.563 122.820 0.085 0.000 1.930 280 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 280 A C 2.191 179.862 177.584 0.146 0.000 1.175 280 A CA 1.518 53.589 52.037 0.057 0.000 0.627 280 A CB -0.592 18.398 19.000 -0.016 0.000 0.815 280 A HN 0.314 nan 8.150 nan 0.000 0.443 281 L N -0.340 121.032 121.223 0.249 0.000 2.027 281 L HA 0.010 4.350 4.340 -0.001 0.000 0.206 281 L C 2.688 179.719 176.870 0.268 0.000 1.074 281 L CA 2.070 57.110 54.840 0.333 0.000 0.745 281 L CB -0.756 41.641 42.059 0.563 0.000 0.898 281 L HN 0.324 nan 8.230 nan 0.000 0.433 282 A N -0.761 122.169 122.820 0.183 0.000 1.902 282 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 282 A C 2.005 179.568 177.584 -0.035 0.000 1.181 282 A CA 1.925 53.891 52.037 -0.118 0.000 0.623 282 A CB -0.882 17.986 19.000 -0.219 0.000 0.818 282 A HN 0.524 nan 8.150 nan 0.000 0.443 283 D N -1.707 118.717 120.400 0.040 0.000 2.123 283 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 283 D C 1.676 178.015 176.300 0.065 0.000 0.992 283 D CA 1.685 55.706 54.000 0.035 0.000 0.833 283 D CB -0.438 40.388 40.800 0.043 0.000 0.954 283 D HN 0.649 nan 8.370 nan 0.000 0.455 284 Y N 1.191 121.491 120.300 0.001 0.000 2.163 284 Y HA -0.112 4.438 4.550 -0.000 0.000 0.288 284 Y C 2.219 178.124 175.900 0.008 0.000 1.136 284 Y CA 1.278 59.383 58.100 0.008 0.000 1.147 284 Y CB -0.308 38.168 38.460 0.027 0.000 0.987 284 Y HN -0.101 nan 8.280 nan 0.000 0.509 285 L N -0.090 121.204 121.223 0.119 0.000 2.083 285 L HA -0.192 4.148 4.340 -0.001 0.000 0.209 285 L C 2.236 179.063 176.870 -0.072 0.000 1.083 285 L CA 1.713 56.573 54.840 0.033 0.000 0.752 285 L CB -0.486 41.608 42.059 0.059 0.000 0.899 285 L HN 0.268 nan 8.230 nan 0.000 0.433 286 E N -0.515 119.634 120.200 -0.084 0.000 2.112 286 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 286 E C 2.325 178.869 176.600 -0.095 0.000 0.979 286 E CA 1.093 57.439 56.400 -0.090 0.000 0.814 286 E CB 0.135 29.782 29.700 -0.087 0.000 0.762 286 E HN 0.305 nan 8.360 nan 0.000 0.460 287 S N 0.037 115.669 115.700 -0.112 0.000 2.368 287 S HA -0.131 4.338 4.470 -0.001 0.000 0.224 287 S C 2.232 176.739 174.600 -0.156 0.000 1.029 287 S CA 1.649 59.778 58.200 -0.118 0.000 0.988 287 S CB -0.279 62.856 63.200 -0.109 0.000 0.838 287 S HN 0.486 nan 8.310 nan 0.000 0.462 288 T N -1.878 112.526 114.554 -0.250 0.000 3.009 288 T HA 0.363 4.713 4.350 -0.001 0.000 0.258 288 T C 1.639 176.265 174.700 -0.123 0.000 1.063 288 T CA 1.010 62.966 62.100 -0.240 0.000 1.139 288 T CB -0.229 68.368 68.868 -0.451 0.000 0.890 288 T HN 0.599 nan 8.240 nan 0.000 0.471 289 G N 1.144 109.884 108.800 -0.100 0.000 2.157 289 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.248 289 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.248 289 G C -0.030 174.852 174.900 -0.030 0.000 0.979 289 G CA 0.162 45.225 45.100 -0.060 0.000 0.650 289 G HN 0.912 nan 8.290 nan 0.000 0.529 290 H N 0.598 119.609 119.070 -0.098 0.000 2.683 290 H HA 0.647 5.203 4.556 -0.000 0.000 0.339 290 H C 0.144 175.466 175.328 -0.010 0.000 1.081 290 H CA 0.193 56.221 56.048 -0.034 0.000 1.432 290 H CB 0.763 30.530 29.762 0.009 0.000 1.462 290 H HN 0.183 nan 8.280 nan 0.000 0.557 291 R N 3.791 124.100 120.500 -0.318 0.000 2.534 291 R HA 0.321 4.661 4.340 -0.001 0.000 0.301 291 R C -0.585 175.653 176.300 -0.104 0.000 0.961 291 R CA -0.733 55.295 56.100 -0.119 0.000 0.871 291 R CB 1.296 31.521 30.300 -0.124 0.000 1.170 291 R HN 0.523 nan 8.270 nan 0.000 0.446 292 L N 4.251 125.508 121.223 0.058 0.000 2.455 292 L HA 0.148 4.488 4.340 -0.001 0.000 0.272 292 L C 1.478 178.353 176.870 0.008 0.000 1.174 292 L CA 0.148 55.032 54.840 0.073 0.000 0.869 292 L CB 0.610 42.640 42.059 -0.049 0.000 1.130 292 L HN 0.716 nan 8.230 nan 0.000 0.474 293 K N 0.027 120.450 120.400 0.037 0.000 2.314 293 K HA -0.018 4.301 4.320 -0.001 0.000 0.198 293 K C 1.138 177.747 176.600 0.016 0.000 1.045 293 K CA 1.153 57.447 56.287 0.012 0.000 0.988 293 K CB 0.128 32.641 32.500 0.021 0.000 0.783 293 K HN 0.741 nan 8.250 nan 0.000 0.484 294 T N -1.870 112.701 114.554 0.030 0.000 2.954 294 T HA 0.179 4.529 4.350 -0.001 0.000 0.252 294 T C 0.319 175.025 174.700 0.011 0.000 0.983 294 T CA -0.573 61.545 62.100 0.030 0.000 0.941 294 T CB -0.057 68.846 68.868 0.058 0.000 1.141 294 T HN 0.055 nan 8.240 nan 0.000 0.500 295 L N 2.918 124.123 121.223 -0.029 0.000 2.584 295 L HA 0.330 4.670 4.340 -0.001 0.000 0.272 295 L C 1.194 178.017 176.870 -0.078 0.000 1.195 295 L CA 0.281 55.066 54.840 -0.091 0.000 0.920 295 L CB 0.252 42.142 42.059 -0.282 0.000 1.173 295 L HN 0.125 nan 8.230 nan 0.000 0.489 296 R N 3.641 124.111 120.500 -0.050 0.000 2.194 296 R HA 0.295 4.634 4.340 -0.001 0.000 0.194 296 R C -0.125 176.145 176.300 -0.050 0.000 0.985 296 R CA -0.031 56.050 56.100 -0.031 0.000 1.104 296 R CB 0.475 30.780 30.300 0.010 0.000 1.092 296 R HN 0.531 nan 8.270 nan 0.000 0.555 297 R N 1.035 121.505 120.500 -0.051 0.000 2.534 297 R HA 0.429 4.769 4.340 -0.001 0.000 0.301 297 R C -1.365 174.751 176.300 -0.307 0.000 0.961 297 R CA -0.584 55.475 56.100 -0.069 0.000 0.871 297 R CB 2.391 32.792 30.300 0.168 0.000 1.170 297 R HN -0.045 nan 8.270 nan 0.000 0.446 298 L N 2.744 123.730 121.223 -0.396 0.000 2.385 298 L HA 0.520 4.859 4.340 -0.001 0.000 0.273 298 L C -1.251 175.355 176.870 -0.440 0.000 0.990 298 L CA -0.890 53.566 54.840 -0.640 0.000 0.821 298 L CB 2.095 43.570 42.059 -0.974 0.000 1.279 298 L HN 0.337 nan 8.230 nan 0.000 0.412 299 V N 5.430 125.127 119.914 -0.363 0.000 2.459 299 V HA 0.523 4.643 4.120 -0.001 0.000 0.295 299 V C -0.563 175.653 176.094 0.204 0.000 1.029 299 V CA -0.551 61.726 62.300 -0.037 0.000 0.874 299 V CB 1.938 33.818 31.823 0.095 0.000 0.985 299 V HN 0.521 nan 8.190 nan 0.000 0.438 300 V N 4.870 124.911 119.914 0.212 0.000 2.540 300 V HA 1.032 5.152 4.120 -0.001 0.000 0.302 300 V C 0.090 176.318 176.094 0.224 0.000 1.035 300 V CA 0.574 63.098 62.300 0.373 0.000 0.873 300 V CB 1.455 33.481 31.823 0.339 0.000 0.992 300 V HN 1.039 nan 8.190 nan 0.000 0.428 301 G N 2.935 111.884 108.800 0.248 0.000 2.663 301 G HA2 0.658 4.618 3.960 -0.001 0.000 0.299 301 G HA3 0.658 4.618 3.960 -0.001 0.000 0.299 301 G C 0.448 175.436 174.900 0.146 0.000 1.372 301 G CA -0.079 44.994 45.100 -0.045 0.000 0.781 301 G HN 1.851 nan 8.290 nan 0.000 0.491 302 G N -1.146 107.685 108.800 0.051 0.000 2.420 302 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.221 302 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.221 302 G C 0.600 175.569 174.900 0.115 0.000 1.117 302 G CA 1.266 46.463 45.100 0.161 0.000 0.657 302 G HN 1.873 nan 8.290 nan 0.000 0.512 303 S N -0.586 115.196 115.700 0.136 0.000 2.618 303 S HA 0.749 5.219 4.470 -0.001 0.000 0.277 303 S C -0.015 174.671 174.600 0.143 0.000 1.138 303 S CA 0.562 58.838 58.200 0.126 0.000 0.844 303 S CB 1.446 64.709 63.200 0.106 0.000 1.127 303 S HN 1.814 nan 8.310 nan 0.000 0.474 304 A N 1.807 124.707 122.820 0.133 0.000 2.484 304 A HA 0.568 4.888 4.320 -0.001 0.000 0.268 304 A C 0.521 178.179 177.584 0.125 0.000 1.114 304 A CA 0.180 52.290 52.037 0.120 0.000 0.780 304 A CB -0.714 18.347 19.000 0.102 0.000 1.061 304 A HN 1.157 nan 8.150 nan 0.000 0.505 305 A N 5.665 128.563 122.820 0.129 0.000 2.491 305 A HA 0.518 4.838 4.320 -0.001 0.000 0.261 305 A C -2.143 175.510 177.584 0.115 0.000 1.101 305 A CA -1.046 51.074 52.037 0.139 0.000 0.772 305 A CB -0.525 18.561 19.000 0.143 0.000 1.043 305 A HN 0.650 nan 8.150 nan 0.000 0.501 306 P HA 0.109 nan 4.420 nan 0.000 0.268 306 P C 0.944 178.296 177.300 0.086 0.000 1.205 306 P CA -0.308 62.849 63.100 0.096 0.000 0.771 306 P CB 0.538 32.297 31.700 0.098 0.000 0.858 307 R N 1.962 122.501 120.500 0.065 0.000 2.103 307 R HA -0.173 4.167 4.340 -0.001 0.000 0.242 307 R C 2.029 178.360 176.300 0.052 0.000 1.142 307 R CA 2.378 58.509 56.100 0.051 0.000 0.960 307 R CB -0.511 29.810 30.300 0.035 0.000 0.858 307 R HN 0.651 nan 8.270 nan 0.000 0.439 308 S N 0.441 116.172 115.700 0.051 0.000 2.382 308 S HA -0.166 4.304 4.470 -0.001 0.000 0.228 308 S C 1.939 176.575 174.600 0.061 0.000 1.027 308 S CA 1.037 59.263 58.200 0.042 0.000 0.991 308 S CB -0.435 62.784 63.200 0.032 0.000 0.823 308 S HN 0.329 nan 8.310 nan 0.000 0.469 309 L N 1.534 122.817 121.223 0.100 0.000 2.046 309 L HA 0.136 4.476 4.340 -0.001 0.000 0.208 309 L C 2.175 179.173 176.870 0.214 0.000 1.077 309 L CA 1.480 56.421 54.840 0.169 0.000 0.747 309 L CB -0.555 41.629 42.059 0.209 0.000 0.896 309 L HN 0.344 nan 8.230 nan 0.000 0.432 310 I N -0.580 120.078 120.570 0.147 0.000 2.252 310 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 310 I C 2.572 178.752 176.117 0.105 0.000 1.102 310 I CA 1.106 62.481 61.300 0.125 0.000 1.385 310 I CB -0.645 37.402 38.000 0.078 0.000 1.064 310 I HN 0.319 nan 8.210 nan 0.000 0.414 311 A N 0.778 123.637 122.820 0.066 0.000 1.972 311 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 311 A C 2.375 179.966 177.584 0.011 0.000 1.169 311 A CA 1.468 53.525 52.037 0.033 0.000 0.635 311 A CB -0.533 18.477 19.000 0.017 0.000 0.810 311 A HN 0.310 nan 8.150 nan 0.000 0.446 312 R N -2.006 118.491 120.500 -0.006 0.000 2.092 312 R HA -0.032 4.308 4.340 -0.001 0.000 0.231 312 R C 1.669 177.857 176.300 -0.187 0.000 1.119 312 R CA 1.541 57.571 56.100 -0.116 0.000 0.970 312 R CB -0.329 29.861 30.300 -0.183 0.000 0.864 312 R HN 0.555 nan 8.270 nan 0.000 0.440 313 F N 0.867 120.787 119.950 -0.050 0.000 2.335 313 F HA -0.017 4.510 4.527 -0.001 0.000 0.296 313 F C 2.335 178.087 175.800 -0.080 0.000 1.091 313 F CA 0.843 58.791 58.000 -0.087 0.000 1.399 313 F CB 0.060 38.976 39.000 -0.140 0.000 1.067 313 F HN -0.099 nan 8.300 nan 0.000 0.520 314 E N 0.168 120.435 120.200 0.112 0.000 2.153 314 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 314 E C 2.231 178.841 176.600 0.017 0.000 0.988 314 E CA 0.631 57.061 56.400 0.049 0.000 0.811 314 E CB -0.392 29.329 29.700 0.036 0.000 0.746 314 E HN 0.381 nan 8.360 nan 0.000 0.466 315 R N 0.329 120.828 120.500 -0.003 0.000 2.148 315 R HA -0.012 4.327 4.340 -0.001 0.000 0.227 315 R C 1.883 178.163 176.300 -0.033 0.000 1.103 315 R CA 0.868 56.953 56.100 -0.025 0.000 0.983 315 R CB 0.044 30.318 30.300 -0.044 0.000 0.874 315 R HN 0.110 nan 8.270 nan 0.000 0.451 316 M N -1.101 118.479 119.600 -0.033 0.000 2.428 316 M HA 0.195 4.674 4.480 -0.001 0.000 0.239 316 M C 0.816 177.108 176.300 -0.013 0.000 1.121 316 M CA 0.698 55.976 55.300 -0.036 0.000 1.019 316 M CB 1.376 33.940 32.600 -0.061 0.000 1.485 316 M HN 0.466 nan 8.290 nan 0.000 0.484 317 G N 0.706 109.505 108.800 -0.002 0.000 2.175 317 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.244 317 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.244 317 G C 0.020 174.918 174.900 -0.004 0.000 0.982 317 G CA -0.296 44.801 45.100 -0.004 0.000 0.641 317 G HN 0.301 nan 8.290 nan 0.000 0.527 318 V N 1.618 121.539 119.914 0.012 0.000 2.406 318 V HA 0.427 4.546 4.120 -0.001 0.000 0.272 318 V C 0.768 176.843 176.094 -0.032 0.000 1.043 318 V CA -0.512 61.773 62.300 -0.025 0.000 0.915 318 V CB 1.661 33.465 31.823 -0.031 0.000 0.988 318 V HN 0.417 nan 8.190 nan 0.000 0.466 319 E N 4.045 124.216 120.200 -0.049 0.000 2.324 319 E HA 0.309 4.659 4.350 -0.001 0.000 0.271 319 E C -1.182 175.369 176.600 -0.081 0.000 1.028 319 E CA -0.320 56.061 56.400 -0.033 0.000 0.890 319 E CB 1.248 30.946 29.700 -0.003 0.000 1.004 319 E HN 0.511 nan 8.360 nan 0.000 0.431 320 V N 6.147 126.030 119.914 -0.053 0.000 2.417 320 V HA 0.425 4.545 4.120 -0.001 0.000 0.291 320 V C -0.040 176.050 176.094 -0.008 0.000 1.024 320 V CA -0.596 61.653 62.300 -0.085 0.000 0.861 320 V CB 1.461 33.242 31.823 -0.069 0.000 0.985 320 V HN 0.665 nan 8.190 nan 0.000 0.436 321 R N 3.127 123.628 120.500 0.001 0.000 2.513 321 R HA 0.474 4.814 4.340 -0.001 0.000 0.301 321 R C -0.699 175.650 176.300 0.081 0.000 0.968 321 R CA -0.664 55.479 56.100 0.073 0.000 0.872 321 R CB 2.537 32.904 30.300 0.113 0.000 1.177 321 R HN 0.753 nan 8.270 nan 0.000 0.444 322 Q N 0.892 120.754 119.800 0.103 0.000 2.259 322 Q HA 0.511 4.850 4.340 -0.001 0.000 0.246 322 Q C -0.582 175.484 176.000 0.110 0.000 0.920 322 Q CA -0.296 55.570 55.803 0.106 0.000 0.895 322 Q CB 1.569 30.373 28.738 0.111 0.000 1.220 322 Q HN 0.802 nan 8.270 nan 0.000 0.439 323 G N 1.765 110.609 108.800 0.073 0.000 2.620 323 G HA2 0.464 4.424 3.960 -0.001 0.000 0.301 323 G HA3 0.464 4.424 3.960 -0.001 0.000 0.301 323 G C -2.345 172.581 174.900 0.043 0.000 1.347 323 G CA -0.433 44.693 45.100 0.042 0.000 0.971 323 G HN 0.579 nan 8.290 nan 0.000 0.488 324 Y N 0.534 120.803 120.300 -0.053 0.000 2.477 324 Y HA 0.776 5.326 4.550 -0.000 0.000 0.347 324 Y C 0.077 175.973 175.900 -0.008 0.000 0.981 324 Y CA -0.106 57.976 58.100 -0.030 0.000 1.033 324 Y CB 2.271 40.757 38.460 0.044 0.000 1.245 324 Y HN 1.133 nan 8.280 nan 0.000 0.455 325 G N 3.467 111.795 108.800 -0.786 0.000 2.342 325 G HA2 0.514 4.474 3.960 -0.001 0.000 0.297 325 G HA3 0.514 4.474 3.960 -0.001 0.000 0.297 325 G C -2.731 171.940 174.900 -0.382 0.000 1.313 325 G CA -0.993 43.730 45.100 -0.628 0.000 0.830 325 G HN 0.689 nan 8.290 nan 0.000 0.506 326 L N -0.875 120.266 121.223 -0.137 0.000 2.359 326 L HA 0.571 4.910 4.340 -0.001 0.000 0.256 326 L C 1.706 178.644 176.870 0.113 0.000 1.026 326 L CA -0.539 54.334 54.840 0.055 0.000 0.828 326 L CB 1.774 43.918 42.059 0.141 0.000 1.406 326 L HN 0.632 nan 8.230 nan 0.000 0.413 327 T N -1.167 113.503 114.554 0.193 0.000 2.737 327 T HA -0.181 4.169 4.350 -0.001 0.000 0.269 327 T C 1.170 175.984 174.700 0.192 0.000 1.040 327 T CA 1.907 64.146 62.100 0.232 0.000 1.142 327 T CB -0.111 68.908 68.868 0.252 0.000 0.861 327 T HN 0.552 nan 8.240 nan 0.000 0.456 328 E N 0.677 120.920 120.200 0.071 0.000 2.478 328 E HA -0.013 4.337 4.350 -0.001 0.000 0.198 328 E C 1.939 178.435 176.600 -0.173 0.000 1.046 328 E CA 0.991 57.290 56.400 -0.168 0.000 0.870 328 E CB -0.019 29.417 29.700 -0.439 0.000 0.818 328 E HN 0.677 nan 8.360 nan 0.000 0.527 329 T N -4.809 109.754 114.554 0.015 0.000 3.111 329 T HA 0.316 4.666 4.350 -0.001 0.000 0.284 329 T C 0.731 175.564 174.700 0.221 0.000 0.983 329 T CA 0.108 62.273 62.100 0.109 0.000 0.900 329 T CB 0.414 69.342 68.868 0.099 0.000 1.132 329 T HN -0.041 nan 8.240 nan 0.000 0.531 330 S N 0.972 116.725 115.700 0.089 0.000 2.372 330 S HA -0.072 4.398 4.470 -0.001 0.000 0.257 330 S C -1.694 172.548 174.600 -0.596 0.000 1.282 330 S CA 0.884 58.912 58.200 -0.286 0.000 1.305 330 S CB -1.846 61.164 63.200 -0.317 0.000 1.614 330 S HN 0.595 nan 8.310 nan 0.000 0.631 331 P HA 0.372 nan 4.420 nan 0.000 0.277 331 P C 0.078 177.441 177.300 0.105 0.000 1.260 331 P CA 0.126 63.225 63.100 -0.000 0.000 0.878 331 P CB 0.087 31.766 31.700 -0.035 0.000 1.319 332 V N 2.551 122.649 119.914 0.307 0.000 2.493 332 V HA 0.016 4.136 4.120 -0.001 0.000 0.292 332 V C 1.886 178.154 176.094 0.289 0.000 1.016 332 V CA 0.712 63.109 62.300 0.161 0.000 1.097 332 V CB 0.716 32.529 31.823 -0.015 0.000 0.947 332 V HN 0.035 nan 8.190 nan 0.000 0.479 333 V N 2.656 122.717 119.914 0.244 0.000 3.368 333 V HA 0.409 4.529 4.120 -0.001 0.000 0.255 333 V C 0.221 176.491 176.094 0.294 0.000 1.466 333 V CA 0.014 62.519 62.300 0.341 0.000 1.095 333 V CB 0.781 32.781 31.823 0.296 0.000 0.899 333 V HN 0.442 nan 8.190 nan 0.000 0.440 334 V N 1.550 121.634 119.914 0.283 0.000 2.638 334 V HA 0.601 4.721 4.120 -0.001 0.000 0.306 334 V C -1.087 175.132 176.094 0.208 0.000 1.052 334 V CA -0.236 62.228 62.300 0.272 0.000 0.885 334 V CB 1.771 33.807 31.823 0.355 0.000 0.999 334 V HN 0.553 nan 8.190 nan 0.000 0.424 335 Q N 2.742 122.654 119.800 0.188 0.000 2.347 335 Q HA 0.430 4.769 4.340 -0.001 0.000 0.271 335 Q C -0.858 175.280 176.000 0.230 0.000 1.064 335 Q CA -0.633 55.281 55.803 0.184 0.000 0.800 335 Q CB 2.809 31.642 28.738 0.159 0.000 1.304 335 Q HN 0.773 nan 8.270 nan 0.000 0.438 336 N N 1.978 120.808 118.700 0.217 0.000 2.472 336 N HA 0.549 5.289 4.740 -0.001 0.000 0.277 336 N C -1.523 174.183 175.510 0.327 0.000 1.081 336 N CA -0.231 52.955 53.050 0.226 0.000 0.973 336 N CB 0.548 39.146 38.487 0.185 0.000 1.105 336 N HN 0.413 nan 8.380 nan 0.000 0.470 337 F N 0.862 120.894 119.950 0.135 0.000 2.654 337 F HA 0.504 5.031 4.527 -0.001 0.000 0.308 337 F C -1.571 174.333 175.800 0.174 0.000 1.108 337 F CA -1.279 56.788 58.000 0.111 0.000 0.957 337 F CB 0.428 39.462 39.000 0.058 0.000 1.309 337 F HN 0.018 nan 8.300 nan 0.000 0.446 338 V N 3.788 123.794 119.914 0.153 0.000 2.455 338 V HA 0.203 4.322 4.120 -0.001 0.000 0.273 338 V C 0.455 176.573 176.094 0.041 0.000 1.045 338 V CA -0.811 61.518 62.300 0.049 0.000 0.976 338 V CB 0.544 32.395 31.823 0.048 0.000 0.993 338 V HN 0.662 nan 8.190 nan 0.000 0.475 339 K N 3.006 123.345 120.400 -0.101 0.000 2.380 339 K HA 0.053 4.373 4.320 -0.001 0.000 0.267 339 K C 1.627 178.168 176.600 -0.098 0.000 0.990 339 K CA 0.562 56.776 56.287 -0.123 0.000 0.946 339 K CB 0.736 33.055 32.500 -0.302 0.000 0.937 339 K HN 0.888 nan 8.250 nan 0.000 0.491 340 S N 1.737 117.429 115.700 -0.014 0.000 2.365 340 S HA -0.250 4.219 4.470 -0.001 0.000 0.225 340 S C 1.759 176.366 174.600 0.012 0.000 1.039 340 S CA 1.964 60.182 58.200 0.030 0.000 1.033 340 S CB -0.714 62.536 63.200 0.083 0.000 0.887 340 S HN 0.829 nan 8.310 nan 0.000 0.447 341 H N 0.777 119.882 119.070 0.058 0.000 2.556 341 H HA 0.384 4.939 4.556 -0.001 0.000 0.268 341 H C 1.270 176.617 175.328 0.031 0.000 0.996 341 H CA 0.532 56.603 56.048 0.039 0.000 1.157 341 H CB -0.528 29.254 29.762 0.033 0.000 1.355 341 H HN 0.425 nan 8.280 nan 0.000 0.597 342 L N 0.106 121.222 121.223 -0.178 0.000 2.728 342 L HA 0.161 4.500 4.340 -0.001 0.000 0.238 342 L C 1.423 178.273 176.870 -0.033 0.000 1.143 342 L CA 0.007 54.797 54.840 -0.083 0.000 0.937 342 L CB 0.210 42.166 42.059 -0.171 0.000 1.225 342 L HN 0.210 nan 8.230 nan 0.000 0.507 343 E N 0.476 120.671 120.200 -0.009 0.000 2.274 343 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 343 E C 2.028 178.637 176.600 0.015 0.000 0.996 343 E CA 1.117 57.522 56.400 0.009 0.000 0.840 343 E CB 0.205 29.919 29.700 0.023 0.000 0.772 343 E HN 0.447 nan 8.360 nan 0.000 0.491 344 S N -0.199 115.516 115.700 0.025 0.000 2.593 344 S HA 0.104 4.574 4.470 -0.001 0.000 0.217 344 S C 1.052 175.661 174.600 0.016 0.000 0.966 344 S CA -0.220 57.995 58.200 0.024 0.000 0.914 344 S CB -0.225 62.996 63.200 0.035 0.000 0.776 344 S HN 0.019 nan 8.310 nan 0.000 0.523 345 L N 2.891 124.118 121.223 0.007 0.000 2.464 345 L HA 0.284 4.623 4.340 -0.001 0.000 0.264 345 L C 1.049 177.915 176.870 -0.006 0.000 1.199 345 L CA -0.592 54.246 54.840 -0.003 0.000 0.818 345 L CB 0.539 42.587 42.059 -0.020 0.000 1.102 345 L HN 0.333 nan 8.230 nan 0.000 0.473 346 S N 0.083 115.779 115.700 -0.008 0.000 2.589 346 S HA 0.052 4.522 4.470 -0.001 0.000 0.265 346 S C 0.848 175.441 174.600 -0.011 0.000 1.342 346 S CA -0.586 57.609 58.200 -0.007 0.000 1.005 346 S CB 0.908 64.104 63.200 -0.007 0.000 0.909 346 S HN 0.678 nan 8.310 nan 0.000 0.555 347 E N 0.610 120.806 120.200 -0.008 0.000 2.070 347 E HA -0.259 4.091 4.350 -0.001 0.000 0.197 347 E C 2.010 178.604 176.600 -0.011 0.000 1.004 347 E CA 1.738 58.133 56.400 -0.008 0.000 0.805 347 E CB -0.160 29.537 29.700 -0.005 0.000 0.744 347 E HN 0.881 nan 8.360 nan 0.000 0.451 348 E N 0.607 120.800 120.200 -0.011 0.000 2.051 348 E HA -0.233 4.117 4.350 -0.001 0.000 0.192 348 E C 1.838 178.426 176.600 -0.021 0.000 0.991 348 E CA 1.258 57.650 56.400 -0.013 0.000 0.799 348 E CB 0.104 29.798 29.700 -0.011 0.000 0.748 348 E HN 0.269 nan 8.360 nan 0.000 0.449 349 E N 0.287 120.471 120.200 -0.026 0.000 2.106 349 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 349 E C 2.124 178.689 176.600 -0.058 0.000 0.984 349 E CA 0.753 57.128 56.400 -0.041 0.000 0.806 349 E CB 0.025 29.703 29.700 -0.037 0.000 0.750 349 E HN 0.106 nan 8.360 nan 0.000 0.458 350 K N 0.547 120.920 120.400 -0.046 0.000 2.057 350 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 350 K C 2.156 178.730 176.600 -0.044 0.000 1.050 350 K CA 0.539 56.795 56.287 -0.051 0.000 0.935 350 K CB -0.040 32.444 32.500 -0.027 0.000 0.715 350 K HN 0.017 nan 8.250 nan 0.000 0.439 351 L N 0.991 122.198 121.223 -0.026 0.000 2.083 351 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 351 L C 1.948 178.805 176.870 -0.021 0.000 1.083 351 L CA 1.870 56.702 54.840 -0.013 0.000 0.752 351 L CB -0.615 41.442 42.059 -0.004 0.000 0.899 351 L HN 0.110 nan 8.230 nan 0.000 0.433 352 T N -0.523 114.009 114.554 -0.036 0.000 2.777 352 T HA -0.161 4.189 4.350 -0.001 0.000 0.266 352 T C 1.785 176.438 174.700 -0.078 0.000 1.040 352 T CA 1.539 63.613 62.100 -0.043 0.000 1.141 352 T CB -0.310 68.531 68.868 -0.045 0.000 0.868 352 T HN 0.263 nan 8.240 nan 0.000 0.444 353 L N 0.970 122.116 121.223 -0.128 0.000 2.093 353 L HA 0.037 4.377 4.340 -0.001 0.000 0.208 353 L C 2.169 178.952 176.870 -0.146 0.000 1.085 353 L CA 1.769 56.465 54.840 -0.239 0.000 0.755 353 L CB -0.324 41.535 42.059 -0.333 0.000 0.904 353 L HN 0.064 nan 8.230 nan 0.000 0.435 354 K N -0.854 119.509 120.400 -0.061 0.000 2.211 354 K HA 0.006 4.325 4.320 -0.001 0.000 0.203 354 K C 1.936 178.552 176.600 0.027 0.000 1.050 354 K CA 0.936 57.226 56.287 0.005 0.000 0.945 354 K CB -0.205 32.306 32.500 0.018 0.000 0.732 354 K HN 0.436 nan 8.250 nan 0.000 0.451 355 A N 1.392 124.218 122.820 0.011 0.000 2.119 355 A HA -0.034 4.286 4.320 -0.001 0.000 0.216 355 A C 0.539 178.144 177.584 0.036 0.000 1.152 355 A CA 0.615 52.670 52.037 0.031 0.000 0.708 355 A CB -0.035 18.979 19.000 0.023 0.000 0.805 355 A HN 0.115 nan 8.150 nan 0.000 0.460 356 K N -0.632 119.781 120.400 0.022 0.000 2.180 356 K HA 0.255 4.575 4.320 -0.001 0.000 0.251 356 K C 1.035 177.688 176.600 0.088 0.000 1.014 356 K CA 0.291 56.606 56.287 0.046 0.000 0.913 356 K CB 0.421 32.939 32.500 0.030 0.000 1.008 356 K HN 0.149 nan 8.250 nan 0.000 0.490 357 T N 0.046 114.650 114.554 0.082 0.000 2.708 357 T HA -0.015 4.334 4.350 -0.001 0.000 0.266 357 T C 0.940 175.719 174.700 0.131 0.000 1.037 357 T CA 1.086 63.231 62.100 0.074 0.000 1.146 357 T CB -0.145 68.701 68.868 -0.036 0.000 0.865 357 T HN 0.896 nan 8.240 nan 0.000 0.435 358 G N 0.013 108.917 108.800 0.173 0.000 2.270 358 G HA2 0.193 4.153 3.960 -0.001 0.000 0.268 358 G HA3 0.193 4.153 3.960 -0.001 0.000 0.268 358 G C -1.900 173.012 174.900 0.019 0.000 1.312 358 G CA -1.032 44.166 45.100 0.163 0.000 1.050 358 G HN 0.333 nan 8.290 nan 0.000 0.474 359 L N 1.591 122.775 121.223 -0.065 0.000 2.325 359 L HA 0.548 4.888 4.340 -0.001 0.000 0.278 359 L C -2.122 174.800 176.870 0.086 0.000 1.023 359 L CA -1.984 52.798 54.840 -0.096 0.000 0.811 359 L CB 2.390 44.303 42.059 -0.244 0.000 1.249 359 L HN 0.295 nan 8.230 nan 0.000 0.431 360 P HA 0.064 nan 4.420 nan 0.000 0.264 360 P C -0.651 176.748 177.300 0.165 0.000 1.193 360 P CA 0.018 63.216 63.100 0.164 0.000 0.763 360 P CB 0.266 32.065 31.700 0.165 0.000 0.810 361 I N 1.720 122.407 120.570 0.195 0.000 2.834 361 I HA 0.589 4.759 4.170 -0.001 0.000 0.305 361 I C -2.405 173.826 176.117 0.191 0.000 1.008 361 I CA -3.160 58.255 61.300 0.192 0.000 1.273 361 I CB 0.284 38.401 38.000 0.196 0.000 1.432 361 I HN 0.113 nan 8.210 nan 0.000 0.557 362 P HA 0.113 nan 4.420 nan 0.000 0.266 362 P C -0.052 177.354 177.300 0.177 0.000 1.193 362 P CA 0.195 63.384 63.100 0.149 0.000 0.770 362 P CB 0.192 31.970 31.700 0.131 0.000 0.836 363 L N -1.204 120.050 121.223 0.051 0.000 4.291 363 L HA -0.180 4.160 4.340 -0.001 0.000 0.413 363 L C -0.364 176.312 176.870 -0.324 0.000 1.162 363 L CA 0.144 54.914 54.840 -0.115 0.000 0.961 363 L CB -2.171 39.828 42.059 -0.101 0.000 2.095 363 L HN 0.148 nan 8.230 nan 0.000 0.838 364 V N 0.151 119.987 119.914 -0.130 0.000 2.487 364 V HA 0.406 4.525 4.120 -0.001 0.000 0.298 364 V C 0.492 176.583 176.094 -0.005 0.000 1.028 364 V CA -0.408 61.820 62.300 -0.119 0.000 0.860 364 V CB 2.028 33.873 31.823 0.036 0.000 0.991 364 V HN 0.243 nan 8.190 nan 0.000 0.427 365 R N 4.625 125.118 120.500 -0.012 0.000 2.233 365 R HA 0.602 4.942 4.340 -0.001 0.000 0.334 365 R C -1.122 175.312 176.300 0.225 0.000 1.037 365 R CA -0.359 55.803 56.100 0.104 0.000 0.920 365 R CB 0.691 31.025 30.300 0.056 0.000 1.137 365 R HN 0.723 nan 8.270 nan 0.000 0.492 366 L N 5.038 126.403 121.223 0.237 0.000 2.334 366 L HA 0.634 4.973 4.340 -0.001 0.000 0.276 366 L C -0.916 176.075 176.870 0.203 0.000 1.014 366 L CA -0.678 54.298 54.840 0.228 0.000 0.815 366 L CB 0.937 43.116 42.059 0.200 0.000 1.268 366 L HN 0.705 nan 8.230 nan 0.000 0.428 367 R N 3.139 123.639 120.500 0.000 0.000 2.668 367 R HA 0.633 4.972 4.340 -0.001 0.000 0.272 367 R C -2.103 173.804 176.300 -0.655 0.000 1.019 367 R CA -0.962 54.952 56.100 -0.310 0.000 0.894 367 R CB 1.639 31.829 30.300 -0.183 0.000 1.228 367 R HN 0.319 nan 8.270 nan 0.000 0.460 368 V N 2.108 121.201 119.914 -1.368 0.000 2.304 368 V HA 0.643 4.763 4.120 -0.001 0.000 0.269 368 V C -0.000 175.749 176.094 -0.574 0.000 1.036 368 V CA -0.298 61.391 62.300 -1.018 0.000 0.840 368 V CB 0.533 31.476 31.823 -1.466 0.000 1.036 368 V HN 0.912 nan 8.190 nan 0.000 0.466 369 A N 3.985 126.601 122.820 -0.340 0.000 2.354 369 A HA 0.861 5.180 4.320 -0.001 0.000 0.321 369 A C -0.283 177.219 177.584 -0.136 0.000 1.125 369 A CA -0.740 51.175 52.037 -0.202 0.000 0.799 369 A CB 1.302 20.171 19.000 -0.219 0.000 1.293 369 A HN 0.817 nan 8.150 nan 0.000 0.452 370 D N -0.310 120.038 120.400 -0.086 0.000 2.440 370 D HA 0.187 4.826 4.640 -0.001 0.000 0.269 370 D C 0.545 176.808 176.300 -0.060 0.000 1.249 370 D CA -0.084 53.881 54.000 -0.059 0.000 1.055 370 D CB 0.149 40.931 40.800 -0.032 0.000 1.104 370 D HN 0.542 nan 8.370 nan 0.000 0.561 371 E N -0.866 119.309 120.200 -0.043 0.000 2.268 371 E HA -0.115 4.235 4.350 -0.001 0.000 0.195 371 E C 1.351 177.930 176.600 -0.035 0.000 0.995 371 E CA 0.697 57.074 56.400 -0.038 0.000 0.836 371 E CB 0.012 29.696 29.700 -0.027 0.000 0.763 371 E HN 0.459 nan 8.360 nan 0.000 0.491 372 E N -0.407 119.773 120.200 -0.033 0.000 2.385 372 E HA 0.011 4.361 4.350 -0.001 0.000 0.194 372 E C 1.355 177.931 176.600 -0.040 0.000 1.013 372 E CA 0.734 57.117 56.400 -0.028 0.000 0.866 372 E CB 0.709 30.398 29.700 -0.019 0.000 0.832 372 E HN 0.351 nan 8.360 nan 0.000 0.500 373 G N 1.947 110.709 108.800 -0.063 0.000 2.163 373 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.213 373 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.213 373 G C 0.051 174.884 174.900 -0.112 0.000 0.991 373 G CA -0.228 44.812 45.100 -0.101 0.000 0.653 373 G HN 0.157 nan 8.290 nan 0.000 0.518 374 R N 0.850 121.309 120.500 -0.068 0.000 2.349 374 R HA 0.525 4.865 4.340 -0.001 0.000 0.299 374 R C -2.583 173.704 176.300 -0.022 0.000 1.027 374 R CA -1.860 54.217 56.100 -0.039 0.000 0.958 374 R CB 0.804 31.098 30.300 -0.011 0.000 1.047 374 R HN 0.067 nan 8.270 nan 0.000 0.468 375 P HA -0.064 nan 4.420 nan 0.000 0.267 375 P C -0.341 177.071 177.300 0.187 0.000 1.205 375 P CA -0.247 62.940 63.100 0.145 0.000 0.765 375 P CB 0.559 32.426 31.700 0.278 0.000 0.828 376 V N 2.439 122.483 119.914 0.216 0.000 2.881 376 V HA 0.413 4.533 4.120 -0.001 0.000 0.303 376 V C -2.320 173.994 176.094 0.366 0.000 1.070 376 V CA -2.395 60.036 62.300 0.219 0.000 1.074 376 V CB -0.341 31.556 31.823 0.123 0.000 1.012 376 V HN 0.366 nan 8.190 nan 0.000 0.482 377 P HA 0.096 nan 4.420 nan 0.000 0.264 377 P C -0.525 176.860 177.300 0.141 0.000 1.179 377 P CA 0.293 63.469 63.100 0.126 0.000 0.763 377 P CB 0.119 31.865 31.700 0.076 0.000 0.806 378 K N 2.261 122.625 120.400 -0.060 0.000 3.001 378 K HA 0.059 4.378 4.320 -0.001 0.000 0.257 378 K C -0.147 176.411 176.600 -0.069 0.000 1.290 378 K CA 0.133 56.287 56.287 -0.222 0.000 1.252 378 K CB -0.207 31.976 32.500 -0.530 0.000 1.656 378 K HN 0.467 nan 8.250 nan 0.000 0.351 379 D N -0.865 119.553 120.400 0.029 0.000 2.398 379 D HA 0.066 4.706 4.640 -0.001 0.000 0.210 379 D C 1.009 177.341 176.300 0.053 0.000 1.094 379 D CA -0.176 53.842 54.000 0.029 0.000 0.839 379 D CB 0.467 41.284 40.800 0.029 0.000 0.963 379 D HN 0.235 nan 8.370 nan 0.000 0.506 380 G N 0.457 109.316 108.800 0.098 0.000 2.198 380 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.260 380 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.260 380 G C 0.983 175.931 174.900 0.080 0.000 1.025 380 G CA 0.722 45.883 45.100 0.102 0.000 0.769 380 G HN 0.340 nan 8.290 nan 0.000 0.507 381 K N -0.987 119.464 120.400 0.084 0.000 2.585 381 K HA 0.427 4.747 4.320 -0.001 0.000 0.198 381 K C 1.363 178.000 176.600 0.062 0.000 1.403 381 K CA 0.600 56.923 56.287 0.060 0.000 1.021 381 K CB -0.076 32.450 32.500 0.044 0.000 1.558 381 K HN 0.823 nan 8.250 nan 0.000 0.524 382 A N 3.087 125.956 122.820 0.081 0.000 2.522 382 A HA 0.273 4.593 4.320 -0.001 0.000 0.256 382 A C 0.117 177.737 177.584 0.059 0.000 1.086 382 A CA 0.155 52.236 52.037 0.073 0.000 0.763 382 A CB -0.524 18.534 19.000 0.096 0.000 1.024 382 A HN 0.217 nan 8.150 nan 0.000 0.502 383 L N 2.768 124.006 121.223 0.024 0.000 2.350 383 L HA 0.689 5.029 4.340 -0.001 0.000 0.275 383 L C 0.905 177.755 176.870 -0.035 0.000 1.099 383 L CA 0.166 55.002 54.840 -0.005 0.000 0.808 383 L CB 1.517 43.575 42.059 -0.002 0.000 1.149 383 L HN 0.870 nan 8.230 nan 0.000 0.442 384 G N 1.227 109.979 108.800 -0.080 0.000 2.608 384 G HA2 0.297 4.257 3.960 -0.001 0.000 0.291 384 G HA3 0.297 4.257 3.960 -0.001 0.000 0.291 384 G C -2.000 172.815 174.900 -0.142 0.000 1.425 384 G CA -0.519 44.512 45.100 -0.115 0.000 0.787 384 G HN 0.464 nan 8.290 nan 0.000 0.484 385 E N -0.110 120.005 120.200 -0.142 0.000 2.249 385 E HA 0.444 4.794 4.350 -0.001 0.000 0.280 385 E C -0.216 176.283 176.600 -0.168 0.000 1.016 385 E CA -0.503 55.821 56.400 -0.126 0.000 0.830 385 E CB 1.523 31.162 29.700 -0.101 0.000 1.081 385 E HN 0.187 nan 8.360 nan 0.000 0.395 386 V N 5.124 124.966 119.914 -0.120 0.000 2.479 386 V HA 0.019 4.139 4.120 -0.001 0.000 0.281 386 V C 0.015 176.100 176.094 -0.015 0.000 1.031 386 V CA 0.384 62.630 62.300 -0.089 0.000 1.038 386 V CB 0.692 32.522 31.823 0.011 0.000 0.981 386 V HN 0.684 nan 8.190 nan 0.000 0.478 387 Q N 5.293 125.087 119.800 -0.010 0.000 2.337 387 Q HA 0.731 5.070 4.340 -0.001 0.000 0.270 387 Q C -1.291 174.914 176.000 0.342 0.000 1.043 387 Q CA -0.643 55.228 55.803 0.114 0.000 0.794 387 Q CB 2.824 31.558 28.738 -0.007 0.000 1.281 387 Q HN 0.604 nan 8.270 nan 0.000 0.446 388 L N 1.354 122.832 121.223 0.425 0.000 2.354 388 L HA 0.704 5.043 4.340 -0.001 0.000 0.264 388 L C -0.702 176.225 176.870 0.094 0.000 1.008 388 L CA -0.864 54.169 54.840 0.322 0.000 0.819 388 L CB 2.211 44.428 42.059 0.264 0.000 1.339 388 L HN 0.423 nan 8.230 nan 0.000 0.420 389 K N 0.653 120.975 120.400 -0.130 0.000 2.550 389 K HA 0.772 5.092 4.320 -0.001 0.000 0.252 389 K C -1.106 175.316 176.600 -0.295 0.000 0.943 389 K CA -0.393 55.679 56.287 -0.357 0.000 0.806 389 K CB 2.458 34.477 32.500 -0.802 0.000 1.289 389 K HN 0.836 nan 8.250 nan 0.000 0.435 390 G N 2.625 111.235 108.800 -0.316 0.000 2.316 390 G HA2 0.169 4.128 3.960 -0.001 0.000 0.296 390 G HA3 0.169 4.128 3.960 -0.001 0.000 0.296 390 G C -2.769 171.907 174.900 -0.373 0.000 1.399 390 G CA -0.895 43.963 45.100 -0.402 0.000 0.833 390 G HN 0.348 nan 8.290 nan 0.000 0.565 391 P HA 0.077 nan 4.420 nan 0.000 0.223 391 P C 0.876 178.171 177.300 -0.009 0.000 1.151 391 P CA 1.439 64.444 63.100 -0.159 0.000 0.787 391 P CB 0.012 31.676 31.700 -0.060 0.000 0.788 392 W N -1.673 119.637 121.300 0.017 0.000 2.926 392 W HA 0.517 5.177 4.660 -0.001 0.000 0.419 392 W C -0.538 175.974 176.519 -0.013 0.000 0.993 392 W CA -0.816 56.543 57.345 0.024 0.000 2.025 392 W CB -0.981 28.527 29.460 0.080 0.000 1.152 392 W HN -0.302 nan 8.180 nan 0.000 0.659 393 I N 1.693 122.210 120.570 -0.088 0.000 2.377 393 I HA 0.226 4.396 4.170 -0.001 0.000 0.293 393 I C 0.957 176.944 176.117 -0.217 0.000 0.987 393 I CA -0.693 60.518 61.300 -0.149 0.000 1.185 393 I CB 1.716 39.605 38.000 -0.186 0.000 1.341 393 I HN -0.141 nan 8.210 nan 0.000 0.455 394 T N 3.852 118.185 114.554 -0.369 0.000 2.926 394 T HA 0.192 4.542 4.350 -0.001 0.000 0.307 394 T C 1.016 175.506 174.700 -0.349 0.000 1.059 394 T CA 0.025 61.884 62.100 -0.401 0.000 1.122 394 T CB 0.615 69.146 68.868 -0.561 0.000 0.972 394 T HN 0.845 nan 8.240 nan 0.000 0.545 395 G N 1.702 110.364 108.800 -0.230 0.000 3.502 395 G HA2 0.575 4.535 3.960 -0.001 0.000 0.267 395 G HA3 0.575 4.535 3.960 -0.001 0.000 0.267 395 G C 0.500 175.330 174.900 -0.118 0.000 1.090 395 G CA 0.213 45.237 45.100 -0.127 0.000 0.795 395 G HN 1.143 nan 8.290 nan 0.000 0.535 396 G N -0.905 107.742 108.800 -0.254 0.000 2.345 396 G HA2 0.363 4.323 3.960 -0.001 0.000 0.285 396 G HA3 0.363 4.323 3.960 -0.001 0.000 0.285 396 G C -1.973 172.641 174.900 -0.477 0.000 1.297 396 G CA -0.954 43.993 45.100 -0.255 0.000 0.875 396 G HN 0.037 nan 8.290 nan 0.000 0.506 397 Y N -1.027 119.279 120.300 0.010 0.000 2.524 397 Y HA 0.606 5.156 4.550 -0.001 0.000 0.344 397 Y C -0.229 175.694 175.900 0.038 0.000 1.012 397 Y CA -0.788 57.311 58.100 -0.003 0.000 1.068 397 Y CB 1.918 40.382 38.460 0.006 0.000 1.249 397 Y HN 0.651 nan 8.280 nan 0.000 0.468 398 Y N 1.649 121.992 120.300 0.071 0.000 2.537 398 Y HA 0.386 4.935 4.550 -0.001 0.000 0.339 398 Y C 0.965 176.965 175.900 0.167 0.000 1.066 398 Y CA 0.244 58.371 58.100 0.045 0.000 1.357 398 Y CB 0.175 38.612 38.460 -0.038 0.000 1.175 398 Y HN 0.819 nan 8.280 nan 0.000 0.525 399 G N 4.780 113.345 108.800 -0.392 0.000 2.273 399 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.280 399 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.280 399 G C -0.271 174.590 174.900 -0.065 0.000 1.047 399 G CA 0.356 45.234 45.100 -0.370 0.000 0.869 399 G HN 0.810 nan 8.290 nan 0.000 0.502 400 N N -0.253 118.454 118.700 0.012 0.000 2.621 400 N HA 0.218 4.958 4.740 -0.001 0.000 0.271 400 N C 0.937 176.489 175.510 0.069 0.000 1.181 400 N CA -0.295 52.786 53.050 0.052 0.000 0.805 400 N CB 0.978 39.503 38.487 0.063 0.000 1.351 400 N HN 0.355 nan 8.380 nan 0.000 0.539 401 E N 0.848 121.072 120.200 0.040 0.000 2.106 401 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 401 E C 0.754 177.386 176.600 0.054 0.000 0.984 401 E CA 0.984 57.410 56.400 0.043 0.000 0.806 401 E CB 0.448 30.161 29.700 0.022 0.000 0.750 401 E HN 0.514 nan 8.360 nan 0.000 0.458 402 E N 0.363 120.588 120.200 0.042 0.000 2.047 402 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 402 E C 2.045 178.677 176.600 0.055 0.000 0.987 402 E CA 1.018 57.439 56.400 0.035 0.000 0.799 402 E CB -0.233 29.475 29.700 0.014 0.000 0.752 402 E HN 0.220 nan 8.360 nan 0.000 0.449 403 A N 0.676 123.534 122.820 0.063 0.000 1.969 403 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 403 A C 2.412 180.176 177.584 0.300 0.000 1.169 403 A CA 1.850 53.940 52.037 0.089 0.000 0.635 403 A CB -0.714 18.237 19.000 -0.082 0.000 0.810 403 A HN 0.211 nan 8.150 nan 0.000 0.445 404 T N 0.390 115.108 114.554 0.272 0.000 2.701 404 T HA -0.156 4.193 4.350 -0.001 0.000 0.263 404 T C 2.042 176.830 174.700 0.146 0.000 1.040 404 T CA 1.672 63.906 62.100 0.222 0.000 1.147 404 T CB -0.278 68.667 68.868 0.129 0.000 0.865 404 T HN 0.793 nan 8.240 nan 0.000 0.426 405 R N 1.526 122.086 120.500 0.101 0.000 2.189 405 R HA 0.064 4.403 4.340 -0.001 0.000 0.218 405 R C 2.382 178.719 176.300 0.063 0.000 1.074 405 R CA 1.502 57.643 56.100 0.069 0.000 0.991 405 R CB -0.535 29.793 30.300 0.047 0.000 0.883 405 R HN 0.457 nan 8.270 nan 0.000 0.457 406 S N 0.087 115.830 115.700 0.072 0.000 2.558 406 S HA 0.216 4.685 4.470 -0.001 0.000 0.217 406 S C 1.727 176.354 174.600 0.044 0.000 0.975 406 S CA 0.094 58.321 58.200 0.045 0.000 0.912 406 S CB 0.637 63.855 63.200 0.029 0.000 0.776 406 S HN 0.415 nan 8.310 nan 0.000 0.526 407 A N 0.593 123.473 122.820 0.101 0.000 2.348 407 A HA 0.621 4.941 4.320 -0.001 0.000 0.224 407 A C 0.406 177.994 177.584 0.007 0.000 1.227 407 A CA -0.288 51.787 52.037 0.063 0.000 0.885 407 A CB -0.002 19.198 19.000 0.334 0.000 0.933 407 A HN 0.518 nan 8.150 nan 0.000 0.506 408 L N 0.576 121.832 121.223 0.055 0.000 2.354 408 L HA 0.418 4.758 4.340 -0.001 0.000 0.269 408 L C 0.474 177.376 176.870 0.052 0.000 1.005 408 L CA -0.830 54.053 54.840 0.072 0.000 0.819 408 L CB 2.335 44.449 42.059 0.092 0.000 1.311 408 L HN 0.291 nan 8.230 nan 0.000 0.423 409 T N -1.828 112.774 114.554 0.080 0.000 2.849 409 T HA 0.291 4.641 4.350 -0.001 0.000 0.284 409 T C -1.925 172.823 174.700 0.080 0.000 1.004 409 T CA -1.582 60.561 62.100 0.071 0.000 1.021 409 T CB 1.128 70.049 68.868 0.088 0.000 1.013 409 T HN 0.337 nan 8.240 nan 0.000 0.527 410 P HA -0.099 nan 4.420 nan 0.000 0.216 410 P C 1.025 178.371 177.300 0.077 0.000 1.150 410 P CA 1.128 64.261 63.100 0.054 0.000 0.843 410 P CB -0.071 31.652 31.700 0.038 0.000 0.787 411 D N -2.074 118.396 120.400 0.117 0.000 2.319 411 D HA 0.096 4.736 4.640 -0.001 0.000 0.230 411 D C 1.234 177.650 176.300 0.193 0.000 1.094 411 D CA 0.539 54.634 54.000 0.159 0.000 0.856 411 D CB -0.757 40.159 40.800 0.192 0.000 0.915 411 D HN 0.254 nan 8.370 nan 0.000 0.517 412 G N -0.218 108.676 108.800 0.157 0.000 2.141 412 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.231 412 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.231 412 G C -0.211 174.713 174.900 0.040 0.000 0.984 412 G CA -0.372 44.771 45.100 0.071 0.000 0.660 412 G HN 0.269 nan 8.290 nan 0.000 0.525 413 F N 0.146 120.115 119.950 0.032 0.000 2.399 413 F HA 0.636 5.162 4.527 -0.001 0.000 0.342 413 F C 0.734 176.583 175.800 0.081 0.000 1.106 413 F CA -1.079 56.950 58.000 0.049 0.000 1.196 413 F CB 0.686 39.698 39.000 0.021 0.000 1.163 413 F HN 0.105 nan 8.300 nan 0.000 0.547 414 F N 4.149 124.167 119.950 0.113 0.000 2.456 414 F HA 0.400 4.927 4.527 -0.001 0.000 0.358 414 F C 0.126 175.992 175.800 0.111 0.000 1.095 414 F CA -0.766 57.275 58.000 0.069 0.000 1.216 414 F CB 0.401 39.406 39.000 0.007 0.000 1.125 414 F HN 0.358 nan 8.300 nan 0.000 0.549 415 R N 4.287 124.282 120.500 -0.842 0.000 2.198 415 R HA 0.175 4.515 4.340 -0.001 0.000 0.339 415 R C 1.166 176.885 176.300 -0.969 0.000 1.020 415 R CA 0.368 56.085 56.100 -0.638 0.000 0.864 415 R CB 0.848 30.939 30.300 -0.348 0.000 1.105 415 R HN 0.870 nan 8.270 nan 0.000 0.463 416 T N -0.708 113.583 114.554 -0.437 0.000 2.942 416 T HA 0.023 4.373 4.350 -0.001 0.000 0.265 416 T C 1.491 176.175 174.700 -0.027 0.000 1.062 416 T CA 0.748 62.789 62.100 -0.097 0.000 1.139 416 T CB 0.098 69.094 68.868 0.213 0.000 0.883 416 T HN 0.780 nan 8.240 nan 0.000 0.468 417 G N 1.403 110.164 108.800 -0.065 0.000 2.141 417 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.242 417 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.242 417 G C -0.525 174.398 174.900 0.037 0.000 0.982 417 G CA 0.043 45.130 45.100 -0.022 0.000 0.662 417 G HN 0.610 nan 8.290 nan 0.000 0.527 418 D N 0.613 121.051 120.400 0.063 0.000 2.193 418 D HA 0.487 5.127 4.640 -0.001 0.000 0.244 418 D C 0.784 177.088 176.300 0.007 0.000 1.064 418 D CA -0.345 53.703 54.000 0.080 0.000 0.845 418 D CB 1.322 42.216 40.800 0.156 0.000 1.148 418 D HN 0.145 nan 8.370 nan 0.000 0.464 419 I N 1.589 122.161 120.570 0.003 0.000 2.342 419 I HA 0.523 4.692 4.170 -0.001 0.000 0.291 419 I C 0.470 176.561 176.117 -0.044 0.000 1.010 419 I CA -0.382 60.901 61.300 -0.027 0.000 1.308 419 I CB 0.858 38.855 38.000 -0.007 0.000 1.400 419 I HN 0.316 nan 8.210 nan 0.000 0.488 420 A N 6.276 129.046 122.820 -0.082 0.000 2.593 420 A HA 0.842 5.162 4.320 -0.001 0.000 0.290 420 A C -0.847 176.691 177.584 -0.077 0.000 1.126 420 A CA -0.538 51.446 52.037 -0.088 0.000 0.695 420 A CB 2.023 20.936 19.000 -0.144 0.000 1.290 420 A HN 0.522 nan 8.150 nan 0.000 0.414 421 V N -2.519 117.386 119.914 -0.014 0.000 2.960 421 V HA 0.997 5.117 4.120 -0.001 0.000 0.315 421 V C -1.047 175.168 176.094 0.200 0.000 1.087 421 V CA -0.742 61.603 62.300 0.077 0.000 0.982 421 V CB 1.705 33.588 31.823 0.100 0.000 1.039 421 V HN 1.634 nan 8.190 nan 0.000 0.437 422 W N 2.268 123.577 121.300 0.014 0.000 3.033 422 W HA 0.880 5.540 4.660 -0.000 0.000 0.336 422 W C -1.313 175.228 176.519 0.037 0.000 1.173 422 W CA -1.571 55.791 57.345 0.030 0.000 1.185 422 W CB 0.239 29.713 29.460 0.023 0.000 1.425 422 W HN 0.862 nan 8.180 nan 0.000 0.536 423 D N -0.535 119.952 120.400 0.145 0.000 2.592 423 D HA 0.292 4.932 4.640 -0.001 0.000 0.259 423 D C 0.731 176.964 176.300 -0.112 0.000 1.144 423 D CA -0.533 53.472 54.000 0.009 0.000 1.080 423 D CB 1.144 41.986 40.800 0.070 0.000 1.225 423 D HN 0.317 nan 8.370 nan 0.000 0.619 424 E N -0.539 119.612 120.200 -0.082 0.000 2.274 424 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 424 E C 1.157 177.734 176.600 -0.039 0.000 0.996 424 E CA 0.681 57.020 56.400 -0.102 0.000 0.840 424 E CB 0.069 29.729 29.700 -0.067 0.000 0.772 424 E HN 0.488 nan 8.360 nan 0.000 0.491 425 E N -0.304 119.927 120.200 0.051 0.000 2.427 425 E HA -0.031 4.318 4.350 -0.001 0.000 0.196 425 E C 1.311 177.928 176.600 0.028 0.000 1.028 425 E CA 0.756 57.230 56.400 0.122 0.000 0.864 425 E CB 0.429 30.303 29.700 0.290 0.000 0.813 425 E HN 0.409 nan 8.360 nan 0.000 0.514 426 G N 0.606 109.406 108.800 -0.001 0.000 2.179 426 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.220 426 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.220 426 G C -0.110 174.776 174.900 -0.024 0.000 0.990 426 G CA -0.179 44.887 45.100 -0.057 0.000 0.646 426 G HN 0.214 nan 8.290 nan 0.000 0.517 427 Y N 0.739 121.055 120.300 0.027 0.000 2.442 427 Y HA 0.425 4.975 4.550 -0.000 0.000 0.330 427 Y C 1.112 177.080 175.900 0.113 0.000 1.129 427 Y CA -0.164 57.958 58.100 0.037 0.000 1.365 427 Y CB 1.119 39.573 38.460 -0.009 0.000 1.233 427 Y HN 0.088 nan 8.280 nan 0.000 0.529 428 V N 3.494 123.543 119.914 0.226 0.000 2.716 428 V HA 0.335 4.455 4.120 -0.001 0.000 0.304 428 V C -0.268 175.884 176.094 0.097 0.000 1.053 428 V CA -1.031 61.366 62.300 0.162 0.000 0.984 428 V CB 1.722 33.585 31.823 0.067 0.000 1.021 428 V HN 0.745 nan 8.190 nan 0.000 0.467 429 E N 3.129 123.355 120.200 0.044 0.000 2.409 429 E HA 0.313 4.662 4.350 -0.001 0.000 0.259 429 E C -1.173 175.404 176.600 -0.038 0.000 0.932 429 E CA -0.689 55.719 56.400 0.012 0.000 0.809 429 E CB 1.074 30.801 29.700 0.045 0.000 1.341 429 E HN 0.531 nan 8.360 nan 0.000 0.405 430 I N 4.691 125.206 120.570 -0.092 0.000 2.664 430 I HA -0.041 4.128 4.170 -0.001 0.000 0.284 430 I C 1.157 177.266 176.117 -0.013 0.000 1.154 430 I CA 0.520 61.765 61.300 -0.092 0.000 1.402 430 I CB 0.350 38.274 38.000 -0.127 0.000 1.395 430 I HN 0.575 nan 8.210 nan 0.000 0.545 431 K N 3.097 123.496 120.400 -0.002 0.000 2.367 431 K HA 0.176 4.496 4.320 -0.001 0.000 0.198 431 K C 0.232 176.855 176.600 0.039 0.000 1.132 431 K CA 0.450 56.750 56.287 0.022 0.000 0.941 431 K CB 0.623 33.133 32.500 0.016 0.000 1.052 431 K HN 0.600 nan 8.250 nan 0.000 0.507 432 D N -0.760 119.663 120.400 0.038 0.000 2.759 432 D HA 0.336 4.976 4.640 -0.001 0.000 0.321 432 D C -1.408 174.934 176.300 0.069 0.000 1.267 432 D CA -0.523 53.510 54.000 0.056 0.000 0.933 432 D CB 1.655 42.480 40.800 0.041 0.000 1.431 432 D HN -0.236 nan 8.370 nan 0.000 0.504 433 R N 0.965 121.512 120.500 0.079 0.000 2.538 433 R HA 0.447 4.787 4.340 -0.001 0.000 0.292 433 R C 0.744 177.077 176.300 0.055 0.000 1.008 433 R CA -0.432 55.722 56.100 0.090 0.000 0.896 433 R CB 1.397 31.783 30.300 0.144 0.000 1.187 433 R HN 0.309 nan 8.270 nan 0.000 0.440 434 L N 2.445 123.687 121.223 0.033 0.000 2.044 434 L HA -0.037 4.303 4.340 -0.001 0.000 0.205 434 L C 0.262 177.136 176.870 0.006 0.000 1.075 434 L CA 1.250 56.096 54.840 0.010 0.000 0.747 434 L CB -0.145 41.908 42.059 -0.010 0.000 0.903 434 L HN 0.514 nan 8.230 nan 0.000 0.435 435 K N 0.476 120.877 120.400 0.001 0.000 2.382 435 K HA 0.040 4.360 4.320 -0.001 0.000 0.275 435 K C -0.488 176.116 176.600 0.006 0.000 1.009 435 K CA -0.112 56.162 56.287 -0.022 0.000 0.970 435 K CB 0.309 32.766 32.500 -0.071 0.000 0.934 435 K HN -0.138 nan 8.250 nan 0.000 0.479 436 D N 3.346 123.743 120.400 -0.004 0.000 2.500 436 D HA 0.265 4.904 4.640 -0.001 0.000 0.219 436 D C -1.145 175.178 176.300 0.039 0.000 1.137 436 D CA -0.164 53.850 54.000 0.024 0.000 0.946 436 D CB -0.051 40.755 40.800 0.011 0.000 1.022 436 D HN 0.437 nan 8.370 nan 0.000 0.518 437 L N 2.067 123.352 121.223 0.102 0.000 2.397 437 L HA 0.622 4.961 4.340 -0.001 0.000 0.251 437 L C -0.656 176.392 176.870 0.296 0.000 1.064 437 L CA -1.170 53.785 54.840 0.192 0.000 0.859 437 L CB 1.907 44.067 42.059 0.169 0.000 1.468 437 L HN 0.096 nan 8.230 nan 0.000 0.411 438 I N 0.938 121.726 120.570 0.362 0.000 2.478 438 I HA 0.338 4.508 4.170 -0.001 0.000 0.287 438 I C -0.660 175.637 176.117 0.301 0.000 1.042 438 I CA -0.410 61.062 61.300 0.287 0.000 1.067 438 I CB 2.003 40.104 38.000 0.167 0.000 1.233 438 I HN 0.382 nan 8.210 nan 0.000 0.431 439 K N 4.247 124.727 120.400 0.132 0.000 2.268 439 K HA 0.435 4.754 4.320 -0.001 0.000 0.276 439 K C -0.557 176.051 176.600 0.014 0.000 1.080 439 K CA -0.138 56.064 56.287 -0.142 0.000 0.910 439 K CB 1.029 33.248 32.500 -0.469 0.000 1.163 439 K HN 0.560 nan 8.250 nan 0.000 0.465 440 S N 3.014 118.762 115.700 0.080 0.000 2.530 440 S HA 0.437 4.906 4.470 -0.001 0.000 0.322 440 S C 0.482 175.161 174.600 0.131 0.000 1.085 440 S CA 0.223 58.504 58.200 0.136 0.000 1.096 440 S CB 0.945 64.214 63.200 0.116 0.000 0.988 440 S HN 0.904 nan 8.310 nan 0.000 0.466 441 G N 3.141 112.082 108.800 0.234 0.000 2.258 441 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.274 441 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.274 441 G C 1.195 176.154 174.900 0.098 0.000 1.021 441 G CA 0.657 45.908 45.100 0.252 0.000 0.798 441 G HN 2.186 nan 8.290 nan 0.000 0.507 442 G N -1.989 106.836 108.800 0.042 0.000 2.195 442 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.246 442 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.246 442 G C 0.029 174.873 174.900 -0.094 0.000 0.984 442 G CA 0.809 45.918 45.100 0.014 0.000 0.633 442 G HN 0.987 nan 8.290 nan 0.000 0.525 443 E N -0.672 119.477 120.200 -0.084 0.000 2.207 443 E HA 0.505 4.855 4.350 -0.001 0.000 0.270 443 E C -0.494 176.155 176.600 0.081 0.000 0.927 443 E CA -0.888 55.495 56.400 -0.028 0.000 0.799 443 E CB 1.033 30.671 29.700 -0.103 0.000 1.172 443 E HN 0.331 nan 8.360 nan 0.000 0.404 444 W N 1.911 123.395 121.300 0.307 0.000 2.261 444 W HA 0.374 5.034 4.660 -0.000 0.000 0.323 444 W C 0.300 176.985 176.519 0.277 0.000 1.243 444 W CA -0.323 57.177 57.345 0.258 0.000 1.210 444 W CB 0.600 30.171 29.460 0.185 0.000 1.149 444 W HN 0.236 nan 8.180 nan 0.000 0.562 445 I N 2.943 123.787 120.570 0.457 0.000 2.447 445 I HA 0.106 4.276 4.170 -0.001 0.000 0.287 445 I C -0.030 176.207 176.117 0.199 0.000 1.023 445 I CA -0.743 60.681 61.300 0.207 0.000 1.083 445 I CB 1.806 39.837 38.000 0.052 0.000 1.245 445 I HN 0.199 nan 8.210 nan 0.000 0.434 446 S N 3.377 119.168 115.700 0.152 0.000 2.422 446 S HA 0.159 4.628 4.470 -0.001 0.000 0.283 446 S C 1.191 175.827 174.600 0.059 0.000 1.163 446 S CA -0.449 57.814 58.200 0.104 0.000 1.054 446 S CB 0.612 63.867 63.200 0.093 0.000 0.967 446 S HN 0.687 nan 8.310 nan 0.000 0.499 447 S N 4.154 119.877 115.700 0.038 0.000 2.356 447 S HA -0.130 4.340 4.470 -0.001 0.000 0.223 447 S C 2.125 176.716 174.600 -0.015 0.000 1.032 447 S CA 1.467 59.665 58.200 -0.004 0.000 1.005 447 S CB -0.674 62.531 63.200 0.008 0.000 0.867 447 S HN 0.855 nan 8.310 nan 0.000 0.449 448 V N 1.610 121.526 119.914 0.003 0.000 2.407 448 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 448 V C 1.755 177.861 176.094 0.020 0.000 1.055 448 V CA 1.903 64.205 62.300 0.003 0.000 1.049 448 V CB -0.972 30.851 31.823 -0.000 0.000 0.662 448 V HN 0.221 nan 8.190 nan 0.000 0.455 449 D N 0.469 120.903 120.400 0.056 0.000 2.178 449 D HA -0.019 4.620 4.640 -0.001 0.000 0.202 449 D C 2.130 178.494 176.300 0.106 0.000 0.974 449 D CA 1.248 55.334 54.000 0.144 0.000 0.841 449 D CB -0.088 40.865 40.800 0.255 0.000 0.953 449 D HN 0.432 nan 8.370 nan 0.000 0.478 450 L N 0.495 121.675 121.223 -0.072 0.000 2.240 450 L HA -0.044 4.296 4.340 -0.001 0.000 0.211 450 L C 2.217 178.997 176.870 -0.151 0.000 1.106 450 L CA 0.674 55.337 54.840 -0.295 0.000 0.793 450 L CB -0.036 41.820 42.059 -0.339 0.000 0.927 450 L HN -0.042 nan 8.230 nan 0.000 0.446 451 E N 0.001 120.157 120.200 -0.072 0.000 2.028 451 E HA -0.167 4.183 4.350 -0.001 0.000 0.190 451 E C 1.876 178.463 176.600 -0.022 0.000 0.984 451 E CA 0.979 57.351 56.400 -0.046 0.000 0.800 451 E CB 0.054 29.736 29.700 -0.030 0.000 0.758 451 E HN 0.448 nan 8.360 nan 0.000 0.448 452 N N 1.126 119.829 118.700 0.004 0.000 2.036 452 N HA -0.134 4.606 4.740 -0.001 0.000 0.195 452 N C 0.901 176.442 175.510 0.051 0.000 1.037 452 N CA 1.092 54.158 53.050 0.027 0.000 0.855 452 N CB -0.539 37.974 38.487 0.042 0.000 1.033 452 N HN 0.074 nan 8.380 nan 0.000 0.423 464 A N 0.367 123.160 122.820 -0.045 0.000 2.343 464 A HA 0.674 4.994 4.320 -0.001 0.000 0.308 464 A C -0.967 176.564 177.584 -0.088 0.000 1.092 464 A CA -0.331 51.674 52.037 -0.055 0.000 0.751 464 A CB 1.497 20.470 19.000 -0.044 0.000 1.203 464 A HN 0.858 nan 8.150 nan 0.000 0.452 465 V N 3.529 123.397 119.914 -0.077 0.000 2.409 465 V HA 0.605 4.725 4.120 -0.001 0.000 0.291 465 V C -0.028 176.030 176.094 -0.059 0.000 1.020 465 V CA -0.448 61.795 62.300 -0.095 0.000 0.848 465 V CB 1.300 33.064 31.823 -0.098 0.000 0.990 465 V HN 1.020 nan 8.190 nan 0.000 0.430 466 V N 2.014 121.888 119.914 -0.067 0.000 2.864 466 V HA 0.986 5.106 4.120 -0.001 0.000 0.314 466 V C 0.183 176.289 176.094 0.020 0.000 1.073 466 V CA -1.119 61.171 62.300 -0.017 0.000 0.956 466 V CB 1.859 33.670 31.823 -0.019 0.000 1.023 466 V HN 0.972 nan 8.190 nan 0.000 0.435 467 A N 4.458 127.318 122.820 0.067 0.000 2.362 467 A HA 0.746 5.066 4.320 -0.001 0.000 0.276 467 A C -0.327 177.337 177.584 0.134 0.000 1.153 467 A CA -0.320 51.786 52.037 0.115 0.000 0.813 467 A CB -0.204 18.878 19.000 0.138 0.000 1.081 467 A HN 0.716 nan 8.150 nan 0.000 0.507 468 I N 3.746 124.434 120.570 0.197 0.000 2.465 468 I HA 0.334 4.504 4.170 -0.001 0.000 0.291 468 I C -2.427 173.886 176.117 0.327 0.000 1.014 468 I CA -2.538 58.899 61.300 0.228 0.000 1.093 468 I CB 1.564 39.666 38.000 0.169 0.000 1.267 468 I HN 0.340 nan 8.210 nan 0.000 0.431 469 P HA -0.022 nan 4.420 nan 0.000 0.263 469 P C -0.607 176.909 177.300 0.360 0.000 1.175 469 P CA 0.821 64.076 63.100 0.258 0.000 0.761 469 P CB 0.255 32.059 31.700 0.175 0.000 0.794 470 H N 4.242 123.451 119.070 0.233 0.000 2.759 470 H HA 0.236 4.791 4.556 -0.000 0.000 0.354 470 H C -2.117 173.293 175.328 0.138 0.000 1.074 470 H CA -2.097 54.085 56.048 0.223 0.000 1.226 470 H CB 2.200 32.110 29.762 0.248 0.000 1.648 470 H HN 0.135 nan 8.280 nan 0.000 0.529 471 P HA -0.116 nan 4.420 nan 0.000 0.216 471 P C 1.213 178.561 177.300 0.080 0.000 1.150 471 P CA 1.514 64.626 63.100 0.020 0.000 0.837 471 P CB 0.626 32.276 31.700 -0.084 0.000 0.786 472 K N -1.883 118.629 120.400 0.187 0.000 2.159 472 K HA 0.016 4.335 4.320 -0.001 0.000 0.210 472 K C 0.554 177.006 176.600 -0.247 0.000 1.026 472 K CA 0.237 56.436 56.287 -0.146 0.000 0.959 472 K CB -0.228 32.018 32.500 -0.425 0.000 0.890 472 K HN -0.038 nan 8.250 nan 0.000 0.459 473 W N 1.465 122.831 121.300 0.110 0.000 1.924 473 W HA 0.097 4.757 4.660 -0.000 0.000 0.363 473 W C 1.715 178.282 176.519 0.079 0.000 1.435 473 W CA -0.659 56.674 57.345 -0.021 0.000 1.497 473 W CB 0.259 29.587 29.460 -0.219 0.000 1.263 473 W HN 0.195 nan 8.180 nan 0.000 0.667 474 Q N -0.013 119.979 119.800 0.320 0.000 2.141 474 Q HA 0.033 4.372 4.340 -0.001 0.000 0.194 474 Q C -0.206 175.958 176.000 0.274 0.000 0.975 474 Q CA 1.290 57.239 55.803 0.244 0.000 0.834 474 Q CB 0.127 28.967 28.738 0.169 0.000 0.916 474 Q HN 0.450 nan 8.270 nan 0.000 0.484 475 E N -0.034 120.305 120.200 0.231 0.000 2.235 475 E HA 0.545 4.894 4.350 -0.001 0.000 0.265 475 E C -0.866 175.851 176.600 0.196 0.000 0.940 475 E CA -0.861 55.681 56.400 0.236 0.000 0.819 475 E CB 1.514 31.329 29.700 0.192 0.000 1.206 475 E HN -0.099 nan 8.360 nan 0.000 0.409 476 R N 1.449 122.076 120.500 0.211 0.000 2.621 476 R HA 0.414 4.754 4.340 -0.001 0.000 0.284 476 R C -2.726 173.662 176.300 0.147 0.000 0.998 476 R CA -2.718 53.425 56.100 0.071 0.000 0.895 476 R CB 1.263 31.468 30.300 -0.159 0.000 1.195 476 R HN 0.361 nan 8.270 nan 0.000 0.450 477 P HA 0.106 nan 4.420 nan 0.000 0.266 477 P C -0.678 176.624 177.300 0.004 0.000 1.193 477 P CA 0.065 63.157 63.100 -0.014 0.000 0.770 477 P CB 0.597 32.229 31.700 -0.114 0.000 0.836 478 L N 1.873 123.042 121.223 -0.089 0.000 2.470 478 L HA 0.703 5.043 4.340 -0.001 0.000 0.268 478 L C -1.105 175.562 176.870 -0.337 0.000 0.964 478 L CA -0.711 53.986 54.840 -0.238 0.000 0.839 478 L CB 1.639 43.522 42.059 -0.294 0.000 1.276 478 L HN 0.324 nan 8.230 nan 0.000 0.403 479 A N 4.801 127.342 122.820 -0.464 0.000 2.276 479 A HA 0.751 5.071 4.320 -0.001 0.000 0.316 479 A C -0.645 176.742 177.584 -0.328 0.000 1.229 479 A CA -0.409 51.426 52.037 -0.336 0.000 0.851 479 A CB 1.242 20.087 19.000 -0.257 0.000 1.165 479 A HN 0.493 nan 8.150 nan 0.000 0.513 490 P HA -0.030 nan 4.420 nan 0.000 0.219 490 P C 0.888 178.013 177.300 -0.293 0.000 1.146 490 P CA 1.232 64.034 63.100 -0.496 0.000 0.808 490 P CB 0.191 31.878 31.700 -0.022 0.000 0.779 491 E N 0.312 120.443 120.200 -0.115 0.000 2.112 491 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 491 E C 2.117 178.682 176.600 -0.057 0.000 0.979 491 E CA 0.895 57.267 56.400 -0.046 0.000 0.814 491 E CB -0.573 29.122 29.700 -0.008 0.000 0.762 491 E HN 0.387 nan 8.360 nan 0.000 0.460 492 E N 0.388 120.539 120.200 -0.082 0.000 2.038 492 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 492 E C 1.984 178.548 176.600 -0.059 0.000 1.000 492 E CA 1.014 57.380 56.400 -0.057 0.000 0.803 492 E CB -0.166 29.494 29.700 -0.066 0.000 0.750 492 E HN 0.199 nan 8.360 nan 0.000 0.448 493 L N 1.189 122.312 121.223 -0.167 0.000 2.191 493 L HA -0.173 4.167 4.340 -0.001 0.000 0.212 493 L C 2.068 178.935 176.870 -0.006 0.000 1.103 493 L CA 0.519 55.271 54.840 -0.146 0.000 0.769 493 L CB -0.360 41.487 42.059 -0.353 0.000 0.908 493 L HN 0.122 nan 8.230 nan 0.000 0.438 494 N N 0.144 118.841 118.700 -0.004 0.000 2.080 494 N HA -0.163 4.577 4.740 -0.001 0.000 0.189 494 N C 1.775 177.318 175.510 0.055 0.000 1.036 494 N CA 1.211 54.296 53.050 0.059 0.000 0.846 494 N CB -0.115 38.412 38.487 0.067 0.000 1.015 494 N HN 0.363 nan 8.380 nan 0.000 0.423 495 E N -0.216 120.012 120.200 0.048 0.000 2.153 495 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 495 E C 1.785 178.424 176.600 0.065 0.000 0.988 495 E CA 0.615 57.044 56.400 0.048 0.000 0.811 495 E CB -0.109 29.612 29.700 0.036 0.000 0.746 495 E HN 0.466 nan 8.360 nan 0.000 0.466 496 H N 0.793 119.861 119.070 -0.003 0.000 2.389 496 H HA -0.067 4.489 4.556 -0.001 0.000 0.299 496 H C 2.046 177.390 175.328 0.028 0.000 1.081 496 H CA 1.073 57.125 56.048 0.005 0.000 1.345 496 H CB 0.091 29.847 29.762 -0.011 0.000 1.393 496 H HN 0.155 nan 8.280 nan 0.000 0.520 497 L N 0.168 121.473 121.223 0.137 0.000 2.109 497 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 497 L C 2.862 179.836 176.870 0.174 0.000 1.086 497 L CA 0.440 55.334 54.840 0.090 0.000 0.760 497 L CB -0.285 41.714 42.059 -0.101 0.000 0.910 497 L HN 0.192 nan 8.230 nan 0.000 0.437 498 L N -0.261 121.020 121.223 0.096 0.000 2.083 498 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 498 L C 2.520 179.418 176.870 0.046 0.000 1.083 498 L CA 1.404 56.294 54.840 0.084 0.000 0.752 498 L CB -0.461 41.626 42.059 0.047 0.000 0.899 498 L HN 0.202 nan 8.230 nan 0.000 0.433 499 K N 0.120 120.521 120.400 0.001 0.000 2.148 499 K HA -0.058 4.261 4.320 -0.001 0.000 0.204 499 K C 1.949 178.516 176.600 -0.055 0.000 1.050 499 K CA 1.122 57.382 56.287 -0.046 0.000 0.942 499 K CB -0.161 32.283 32.500 -0.093 0.000 0.724 499 K HN 0.257 nan 8.250 nan 0.000 0.446 500 A N 0.450 123.256 122.820 -0.023 0.000 2.235 500 A HA 0.174 4.494 4.320 -0.001 0.000 0.208 500 A C 1.085 178.642 177.584 -0.044 0.000 1.172 500 A CA 0.791 52.831 52.037 0.006 0.000 0.786 500 A CB -0.312 18.760 19.000 0.120 0.000 0.804 500 A HN 0.386 nan 8.150 nan 0.000 0.479 501 G N -1.851 106.916 108.800 -0.055 0.000 2.215 501 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.198 501 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.198 501 G C -0.306 174.391 174.900 -0.338 0.000 1.047 501 G CA -0.270 44.720 45.100 -0.185 0.000 0.747 501 G HN 0.270 nan 8.290 nan 0.000 0.495 502 F N 0.810 120.710 119.950 -0.084 0.000 2.469 502 F HA 0.758 5.284 4.527 -0.001 0.000 0.332 502 F C 0.779 176.501 175.800 -0.131 0.000 1.103 502 F CA -0.113 57.810 58.000 -0.129 0.000 0.979 502 F CB 1.882 40.797 39.000 -0.141 0.000 1.137 502 F HN 0.338 nan 8.300 nan 0.000 0.463 503 A N 3.249 126.055 122.820 -0.025 0.000 2.272 503 A HA 0.326 4.646 4.320 -0.001 0.000 0.275 503 A C 1.232 178.768 177.584 -0.079 0.000 1.096 503 A CA -0.453 51.568 52.037 -0.027 0.000 0.822 503 A CB 0.530 19.574 19.000 0.073 0.000 1.088 503 A HN 0.951 nan 8.150 nan 0.000 0.495 504 K N 0.273 120.690 120.400 0.029 0.000 2.147 504 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 504 K C 1.615 178.210 176.600 -0.007 0.000 1.049 504 K CA 1.958 58.258 56.287 0.022 0.000 0.936 504 K CB -0.152 32.388 32.500 0.066 0.000 0.722 504 K HN 0.945 nan 8.250 nan 0.000 0.446 505 W N 1.117 122.370 121.300 -0.078 0.000 2.595 505 W HA -0.071 4.588 4.660 -0.001 0.000 0.257 505 W C 0.666 177.099 176.519 -0.144 0.000 1.267 505 W CA 0.391 57.635 57.345 -0.169 0.000 1.300 505 W CB -0.334 29.012 29.460 -0.191 0.000 1.120 505 W HN 0.083 nan 8.180 nan 0.000 0.618 506 Q N 1.078 120.420 119.800 -0.763 0.000 2.408 506 Q HA 0.176 4.516 4.340 -0.001 0.000 0.205 506 Q C 0.782 176.563 176.000 -0.365 0.000 0.919 506 Q CA 0.075 55.444 55.803 -0.723 0.000 0.932 506 Q CB 0.224 28.537 28.738 -0.708 0.000 1.058 506 Q HN 0.226 nan 8.270 nan 0.000 0.517 507 L N 3.929 124.999 121.223 -0.255 0.000 2.410 507 L HA 0.172 4.512 4.340 -0.001 0.000 0.273 507 L C -1.958 174.801 176.870 -0.185 0.000 1.144 507 L CA -1.847 52.886 54.840 -0.178 0.000 0.863 507 L CB -0.024 41.988 42.059 -0.078 0.000 1.140 507 L HN -0.086 nan 8.230 nan 0.000 0.463 508 P HA 0.005 nan 4.420 nan 0.000 0.265 508 P C -0.488 176.666 177.300 -0.243 0.000 1.193 508 P CA -0.087 62.840 63.100 -0.288 0.000 0.765 508 P CB 0.907 32.307 31.700 -0.500 0.000 0.823 509 D N 1.444 121.750 120.400 -0.157 0.000 2.117 509 D HA 0.028 4.668 4.640 -0.001 0.000 0.198 509 D C 0.837 177.178 176.300 0.068 0.000 0.982 509 D CA 1.585 55.544 54.000 -0.067 0.000 0.828 509 D CB 0.015 40.665 40.800 -0.250 0.000 0.967 509 D HN 0.517 nan 8.370 nan 0.000 0.464 510 A N -1.009 121.846 122.820 0.058 0.000 2.515 510 A HA 0.652 4.972 4.320 -0.001 0.000 0.296 510 A C -1.761 175.608 177.584 -0.357 0.000 1.094 510 A CA -0.651 51.423 52.037 0.060 0.000 0.718 510 A CB 1.071 20.314 19.000 0.404 0.000 1.307 510 A HN 0.046 nan 8.150 nan 0.000 0.408 511 Y N -0.022 120.174 120.300 -0.174 0.000 2.361 511 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 511 Y C -0.235 175.318 175.900 -0.578 0.000 0.965 511 Y CA -0.671 57.185 58.100 -0.407 0.000 1.091 511 Y CB 2.345 40.553 38.460 -0.420 0.000 1.182 511 Y HN 0.422 nan 8.280 nan 0.000 0.450 512 V N 4.613 124.191 119.914 -0.560 0.000 2.495 512 V HA 0.452 4.572 4.120 -0.001 0.000 0.298 512 V C -0.634 175.166 176.094 -0.490 0.000 1.031 512 V CA -1.115 60.884 62.300 -0.502 0.000 0.871 512 V CB 1.240 32.734 31.823 -0.549 0.000 0.988 512 V HN 0.472 nan 8.190 nan 0.000 0.432 513 F N 2.393 122.343 119.950 0.000 0.000 2.399 513 F HA 0.857 5.384 4.527 -0.000 0.000 0.328 513 F C 0.663 176.480 175.800 0.028 0.000 1.084 513 F CA -0.050 57.956 58.000 0.010 0.000 1.053 513 F CB 1.623 40.633 39.000 0.016 0.000 1.209 513 F HN 0.661 nan 8.300 nan 0.000 0.502 514 A N 1.310 124.263 122.820 0.223 0.000 3.886 514 A HA 0.709 5.029 4.320 -0.001 0.000 0.217 514 A C 0.158 177.807 177.584 0.108 0.000 0.876 514 A CA -0.373 51.748 52.037 0.141 0.000 0.726 514 A CB 1.021 20.083 19.000 0.105 0.000 1.479 514 A HN 0.713 nan 8.150 nan 0.000 0.792 515 E N -1.004 119.240 120.200 0.073 0.000 2.571 515 E HA 0.193 4.542 4.350 -0.001 0.000 0.204 515 E C -0.779 175.844 176.600 0.039 0.000 0.851 515 E CA 0.217 56.647 56.400 0.049 0.000 1.358 515 E CB 1.042 30.765 29.700 0.038 0.000 1.327 515 E HN 0.610 nan 8.360 nan 0.000 0.665 516 E N 1.048 121.271 120.200 0.038 0.000 2.278 516 E HA 0.371 4.721 4.350 -0.001 0.000 0.272 516 E C -1.201 175.417 176.600 0.030 0.000 0.890 516 E CA -0.265 56.153 56.400 0.029 0.000 0.770 516 E CB 2.610 32.323 29.700 0.022 0.000 1.212 516 E HN 0.006 nan 8.360 nan 0.000 0.415 517 I N 3.994 124.579 120.570 0.025 0.000 2.312 517 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 517 I C -2.049 174.078 176.117 0.017 0.000 1.031 517 I CA -2.025 59.288 61.300 0.022 0.000 1.293 517 I CB 0.625 38.633 38.000 0.015 0.000 1.403 517 I HN 0.212 nan 8.210 nan 0.000 0.484 518 P HA 0.044 nan 4.420 nan 0.000 0.252 518 P C -0.158 177.148 177.300 0.011 0.000 1.183 518 P CA 0.054 63.163 63.100 0.014 0.000 0.973 518 P CB 0.048 31.757 31.700 0.016 0.000 0.990 519 R N 1.587 122.092 120.500 0.008 0.000 2.828 519 R HA 0.466 4.806 4.340 -0.001 0.000 0.270 519 R C 1.017 177.320 176.300 0.005 0.000 1.244 519 R CA 0.131 56.234 56.100 0.006 0.000 1.143 519 R CB -0.164 30.139 30.300 0.004 0.000 1.128 519 R HN 0.375 nan 8.270 nan 0.000 0.587 529 A N 1.975 124.813 122.820 0.031 0.000 1.872 529 A HA 0.215 4.535 4.320 -0.001 0.000 0.214 529 A C 2.014 179.625 177.584 0.045 0.000 1.187 529 A CA 1.425 53.478 52.037 0.028 0.000 0.614 529 A CB -0.562 18.451 19.000 0.022 0.000 0.826 529 A HN 0.189 nan 8.150 nan 0.000 0.442 530 L N -0.944 120.326 121.223 0.079 0.000 2.042 530 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 530 L C 2.772 179.758 176.870 0.193 0.000 1.076 530 L CA 1.811 56.754 54.840 0.171 0.000 0.749 530 L CB -0.526 41.607 42.059 0.122 0.000 0.893 530 L HN 0.413 nan 8.230 nan 0.000 0.432 531 R N 0.184 120.746 120.500 0.104 0.000 2.096 531 R HA -0.216 4.124 4.340 -0.001 0.000 0.235 531 R C 2.184 178.530 176.300 0.077 0.000 1.127 531 R CA 1.569 57.724 56.100 0.092 0.000 0.968 531 R CB 0.032 30.374 30.300 0.069 0.000 0.861 531 R HN 0.204 nan 8.270 nan 0.000 0.440 532 E N 0.117 120.344 120.200 0.046 0.000 2.299 532 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 532 E C 1.616 178.197 176.600 -0.032 0.000 0.998 532 E CA 1.041 57.449 56.400 0.014 0.000 0.851 532 E CB 0.250 29.954 29.700 0.007 0.000 0.795 532 E HN 0.368 nan 8.360 nan 0.000 0.492 533 Q N -1.316 118.442 119.800 -0.071 0.000 2.212 533 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 533 Q C 0.374 176.107 176.000 -0.446 0.000 0.950 533 Q CA 0.850 56.482 55.803 -0.284 0.000 0.863 533 Q CB 0.244 28.742 28.738 -0.401 0.000 0.944 533 Q HN 0.386 nan 8.270 nan 0.000 0.465 534 Y N -0.437 119.847 120.300 -0.027 0.000 2.720 534 Y HA 0.211 4.761 4.550 -0.000 0.000 0.268 534 Y C 1.394 177.293 175.900 -0.003 0.000 1.142 534 Y CA -0.468 57.616 58.100 -0.026 0.000 1.193 534 Y CB 0.437 38.797 38.460 -0.167 0.000 1.176 534 Y HN -0.113 nan 8.280 nan 0.000 0.542 535 K N 1.396 121.852 120.400 0.093 0.000 2.089 535 K HA -0.248 4.072 4.320 -0.001 0.000 0.210 535 K C 0.506 177.160 176.600 0.089 0.000 1.048 535 K CA 1.719 58.055 56.287 0.082 0.000 0.926 535 K CB -0.066 32.463 32.500 0.049 0.000 0.714 535 K HN 0.355 nan 8.250 nan 0.000 0.448 536 N N -0.070 118.677 118.700 0.078 0.000 2.458 536 N HA 0.016 4.756 4.740 -0.001 0.000 0.274 536 N C 0.387 175.931 175.510 0.056 0.000 1.242 536 N CA -0.189 52.897 53.050 0.061 0.000 0.904 536 N CB -0.006 38.499 38.487 0.030 0.000 1.206 536 N HN 0.120 nan 8.380 nan 0.000 0.510 537 Y N -0.150 120.102 120.300 -0.080 0.000 2.263 537 Y HA -0.060 4.490 4.550 -0.001 0.000 0.292 537 Y C 0.336 176.119 175.900 -0.194 0.000 1.130 537 Y CA 1.542 59.534 58.100 -0.179 0.000 1.179 537 Y CB 0.173 38.435 38.460 -0.330 0.000 0.998 537 Y HN 0.241 nan 8.280 nan 0.000 0.532 538 Y N -0.404 119.981 120.300 0.142 0.000 2.524 538 Y HA 0.349 4.898 4.550 -0.001 0.000 0.266 538 Y C 1.674 177.524 175.900 -0.084 0.000 1.180 538 Y CA -0.424 57.696 58.100 0.033 0.000 1.244 538 Y CB 0.065 38.609 38.460 0.141 0.000 1.125 538 Y HN 0.148 nan 8.280 nan 0.000 0.524 539 G N 0.300 109.130 108.800 0.050 0.000 2.179 539 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.257 539 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.257 539 G C 0.748 175.653 174.900 0.007 0.000 1.010 539 G CA 0.069 45.172 45.100 0.005 0.000 0.736 539 G HN 0.749 nan 8.290 nan 0.000 0.513 540 G N -0.772 108.061 108.800 0.056 0.000 2.483 540 G HA2 0.767 4.727 3.960 -0.001 0.000 0.248 540 G HA3 0.767 4.727 3.960 -0.001 0.000 0.248 540 G C 0.234 175.175 174.900 0.068 0.000 1.248 540 G CA 0.670 45.812 45.100 0.070 0.000 0.838 540 G HN 1.651 nan 8.290 nan 0.000 0.566 541 A N 0.000 122.862 122.820 0.069 0.000 2.254 541 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 541 A CA 0.000 52.077 52.037 0.066 0.000 0.836 541 A CB 0.000 19.026 19.000 0.044 0.000 0.831 541 A HN 0.000 nan 8.150 nan 0.000 0.486