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_A 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 XXXXXXAVVA IPHPKWQERP LAVVXXXXXX XXXXXXXXXX XXXGFAKWQL DATA SEQUENCE PDAYXXXXXX XXXXXXXXLK RALREQYKNY YG 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 0.000 177.707 177.584 0.205 0.000 1.274 8 A CA 0.000 52.103 52.037 0.109 0.000 0.836 8 A CB 0.000 19.059 19.000 0.098 0.000 0.831 9 F N 2.951 122.903 119.950 0.003 0.000 2.610 9 F HA 0.680 5.206 4.527 -0.001 0.000 0.355 9 F C -2.608 173.195 175.800 0.004 0.000 1.140 9 F CA -2.465 55.537 58.000 0.003 0.000 1.037 9 F CB 1.247 40.249 39.000 0.004 0.000 1.287 9 F HN 0.078 nan 8.300 nan 0.000 0.457 10 P HA 0.333 nan 4.420 nan 0.000 0.275 10 P C -0.692 176.449 177.300 -0.265 0.000 1.228 10 P CA -0.431 62.551 63.100 -0.197 0.000 0.786 10 P CB 1.054 32.645 31.700 -0.182 0.000 0.927 11 S N -0.220 115.410 115.700 -0.116 0.000 2.632 11 S HA 0.237 4.706 4.470 -0.001 0.000 0.267 11 S C 0.912 175.456 174.600 -0.092 0.000 1.276 11 S CA 0.116 58.268 58.200 -0.080 0.000 0.998 11 S CB 0.422 63.613 63.200 -0.014 0.000 0.953 11 S HN 0.582 nan 8.310 nan 0.000 0.547 12 T N -0.753 113.763 114.554 -0.064 0.000 3.122 12 T HA 0.283 4.632 4.350 -0.001 0.000 0.250 12 T C 0.668 175.352 174.700 -0.027 0.000 1.067 12 T CA -0.453 61.616 62.100 -0.052 0.000 0.966 12 T CB -0.373 68.471 68.868 -0.041 0.000 1.002 12 T HN 0.495 nan 8.240 nan 0.000 0.542 13 M N 1.739 121.328 119.600 -0.018 0.000 2.238 13 M HA 0.353 4.832 4.480 -0.001 0.000 0.347 13 M C 0.519 176.815 176.300 -0.008 0.000 1.173 13 M CA -0.048 55.248 55.300 -0.006 0.000 1.147 13 M CB 0.073 32.675 32.600 0.003 0.000 1.547 13 M HN 0.258 nan 8.290 nan 0.000 0.455 14 M N 2.326 121.925 119.600 -0.002 0.000 2.249 14 M HA -0.041 4.439 4.480 -0.001 0.000 0.340 14 M C 0.123 176.423 176.300 -0.000 0.000 1.166 14 M CA 0.580 55.879 55.300 -0.002 0.000 1.115 14 M CB 0.123 32.724 32.600 0.002 0.000 1.606 14 M HN 0.388 nan 8.290 nan 0.000 0.448 15 D N 3.402 123.800 120.400 -0.003 0.000 2.558 15 D HA 0.129 4.768 4.640 -0.001 0.000 0.221 15 D C -0.552 175.748 176.300 -0.000 0.000 1.143 15 D CA 0.208 54.207 54.000 -0.002 0.000 1.010 15 D CB 0.200 40.995 40.800 -0.007 0.000 1.068 15 D HN 0.418 nan 8.370 nan 0.000 0.511 16 E N 1.603 121.807 120.200 0.006 0.000 2.166 16 E HA 0.135 4.484 4.350 -0.001 0.000 0.275 16 E C -0.353 176.252 176.600 0.008 0.000 0.941 16 E CA -0.640 55.764 56.400 0.008 0.000 0.784 16 E CB 0.973 30.682 29.700 0.015 0.000 1.115 16 E HN 0.019 nan 8.360 nan 0.000 0.399 17 E N 3.244 123.443 120.200 -0.001 0.000 2.301 17 E HA 0.217 4.567 4.350 -0.001 0.000 0.275 17 E C -0.188 176.409 176.600 -0.005 0.000 1.030 17 E CA -0.472 55.922 56.400 -0.010 0.000 0.852 17 E CB 0.885 30.563 29.700 -0.036 0.000 1.060 17 E HN 0.513 nan 8.360 nan 0.000 0.401 18 L N 2.667 123.893 121.223 0.004 0.000 2.367 18 L HA 0.237 4.576 4.340 -0.001 0.000 0.275 18 L C 0.348 177.197 176.870 -0.036 0.000 1.129 18 L CA -0.056 54.790 54.840 0.010 0.000 0.839 18 L CB 0.168 42.252 42.059 0.041 0.000 1.133 18 L HN 0.431 nan 8.230 nan 0.000 0.453 19 N N 1.306 119.973 118.700 -0.056 0.000 2.287 19 N HA 0.329 5.069 4.740 -0.001 0.000 0.289 19 N C 0.411 175.872 175.510 -0.081 0.000 1.066 19 N CA -0.635 52.365 53.050 -0.083 0.000 0.841 19 N CB 1.745 40.166 38.487 -0.110 0.000 1.599 19 N HN 0.481 nan 8.380 nan 0.000 0.476 20 L N 1.312 122.571 121.223 0.061 0.000 2.131 20 L HA -0.076 4.263 4.340 -0.001 0.000 0.210 20 L C 1.859 178.825 176.870 0.160 0.000 1.092 20 L CA 0.927 55.629 54.840 -0.230 0.000 0.759 20 L CB -0.164 41.726 42.059 -0.281 0.000 0.903 20 L HN 0.712 nan 8.230 nan 0.000 0.435 21 W N 1.497 122.901 121.300 0.172 0.000 2.392 21 W HA -0.210 4.450 4.660 -0.001 0.000 0.279 21 W C 1.581 178.209 176.519 0.182 0.000 1.225 21 W CA 1.401 58.906 57.345 0.267 0.000 1.233 21 W CB -0.025 29.551 29.460 0.193 0.000 1.122 21 W HN 0.300 nan 8.180 nan 0.000 0.561 22 D N 0.173 120.682 120.400 0.181 0.000 2.218 22 D HA -0.188 4.452 4.640 -0.001 0.000 0.204 22 D C 1.894 178.303 176.300 0.182 0.000 0.976 22 D CA 1.235 55.316 54.000 0.134 0.000 0.853 22 D CB -0.846 40.047 40.800 0.153 0.000 0.939 22 D HN 0.086 nan 8.370 nan 0.000 0.481 23 F N 0.397 120.354 119.950 0.012 0.000 2.102 23 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 23 F C 2.268 177.888 175.800 -0.299 0.000 1.105 23 F CA 0.314 58.299 58.000 -0.025 0.000 1.239 23 F CB -1.127 38.014 39.000 0.235 0.000 0.991 23 F HN -0.002 nan 8.300 nan 0.000 0.474 24 L N 0.210 121.182 121.223 -0.419 0.000 2.131 24 L HA -0.079 4.260 4.340 -0.001 0.000 0.206 24 L C 2.244 178.742 176.870 -0.620 0.000 1.087 24 L CA 1.578 55.947 54.840 -0.786 0.000 0.767 24 L CB -0.850 40.372 42.059 -1.395 0.000 0.917 24 L HN 0.150 nan 8.230 nan 0.000 0.441 25 E N -0.525 119.309 120.200 -0.610 0.000 2.110 25 E HA -0.291 4.058 4.350 -0.001 0.000 0.193 25 E C 2.364 178.717 176.600 -0.412 0.000 0.988 25 E CA 1.110 57.199 56.400 -0.518 0.000 0.804 25 E CB -0.053 29.537 29.700 -0.184 0.000 0.745 25 E HN 0.426 nan 8.360 nan 0.000 0.458 26 R N -0.226 120.118 120.500 -0.259 0.000 2.090 26 R HA -0.060 4.279 4.340 -0.001 0.000 0.228 26 R C 2.188 178.336 176.300 -0.252 0.000 1.110 26 R CA 1.045 57.023 56.100 -0.203 0.000 0.973 26 R CB -0.148 30.106 30.300 -0.077 0.000 0.869 26 R HN 0.148 nan 8.270 nan 0.000 0.440 27 A N 0.601 123.256 122.820 -0.275 0.000 1.930 27 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 27 A C 2.246 179.684 177.584 -0.243 0.000 1.175 27 A CA 1.553 53.416 52.037 -0.290 0.000 0.627 27 A CB -0.523 18.005 19.000 -0.786 0.000 0.815 27 A HN 0.495 nan 8.150 nan 0.000 0.443 28 A N -0.489 122.124 122.820 -0.346 0.000 1.968 28 A HA 0.305 4.624 4.320 -0.001 0.000 0.217 28 A C 2.381 179.790 177.584 -0.292 0.000 1.169 28 A CA 1.695 53.541 52.037 -0.318 0.000 0.638 28 A CB -0.661 17.924 19.000 -0.691 0.000 0.812 28 A HN 0.895 nan 8.150 nan 0.000 0.446 29 A N -0.648 121.963 122.820 -0.348 0.000 1.903 29 A HA 0.242 4.561 4.320 -0.001 0.000 0.213 29 A C 2.015 179.403 177.584 -0.328 0.000 1.185 29 A CA 1.229 53.091 52.037 -0.291 0.000 0.628 29 A CB -0.287 18.552 19.000 -0.267 0.000 0.830 29 A HN 0.417 nan 8.150 nan 0.000 0.446 30 L N -2.709 118.202 121.223 -0.519 0.000 2.425 30 L HA 0.230 4.570 4.340 -0.001 0.000 0.215 30 L C 0.179 176.511 176.870 -0.896 0.000 1.065 30 L CA 0.361 54.694 54.840 -0.845 0.000 0.842 30 L CB 0.207 41.453 42.059 -1.355 0.000 1.033 30 L HN 0.365 nan 8.230 nan 0.000 0.474 31 F N -0.898 118.991 119.950 -0.101 0.000 2.749 31 F HA 0.396 4.922 4.527 -0.001 0.000 0.380 31 F C 1.571 177.393 175.800 0.036 0.000 1.365 31 F CA -0.605 57.371 58.000 -0.040 0.000 1.186 31 F CB -0.428 38.534 39.000 -0.063 0.000 1.080 31 F HN -0.183 nan 8.300 nan 0.000 0.513 32 G N 0.384 109.232 108.800 0.081 0.000 2.448 32 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.219 32 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.219 32 G C 1.771 176.749 174.900 0.130 0.000 1.127 32 G CA 0.431 45.587 45.100 0.094 0.000 0.766 32 G HN 0.320 nan 8.290 nan 0.000 0.552 33 R N -0.378 120.189 120.500 0.112 0.000 2.297 33 R HA 0.107 4.446 4.340 -0.001 0.000 0.197 33 R C 0.276 176.627 176.300 0.085 0.000 0.943 33 R CA -0.125 56.022 56.100 0.078 0.000 1.038 33 R CB 0.167 30.498 30.300 0.051 0.000 0.957 33 R HN 0.052 nan 8.270 nan 0.000 0.484 34 K N 1.957 122.456 120.400 0.165 0.000 2.382 34 K HA 0.029 4.349 4.320 -0.001 0.000 0.275 34 K C 0.005 176.589 176.600 -0.028 0.000 1.009 34 K CA 0.537 56.904 56.287 0.133 0.000 0.970 34 K CB 0.518 33.192 32.500 0.289 0.000 0.934 34 K HN 0.162 nan 8.250 nan 0.000 0.479 35 E N 0.749 120.898 120.200 -0.084 0.000 2.283 35 E HA 0.260 4.609 4.350 -0.001 0.000 0.271 35 E C -0.660 175.792 176.600 -0.247 0.000 1.031 35 E CA -0.733 55.577 56.400 -0.150 0.000 0.868 35 E CB 1.456 31.100 29.700 -0.093 0.000 1.094 35 E HN 0.078 nan 8.360 nan 0.000 0.401 36 V N 3.318 123.092 119.914 -0.233 0.000 2.349 36 V HA 0.178 4.298 4.120 -0.001 0.000 0.284 36 V C -0.474 175.573 176.094 -0.078 0.000 1.014 36 V CA -0.690 61.503 62.300 -0.179 0.000 0.826 36 V CB 1.405 33.120 31.823 -0.180 0.000 1.009 36 V HN 0.377 nan 8.190 nan 0.000 0.431 37 V N 4.112 123.996 119.914 -0.050 0.000 2.394 37 V HA 0.554 4.673 4.120 -0.001 0.000 0.282 37 V C 0.249 176.362 176.094 0.032 0.000 1.031 37 V CA -0.036 62.249 62.300 -0.024 0.000 0.881 37 V CB 1.870 33.668 31.823 -0.042 0.000 0.982 37 V HN 0.857 nan 8.190 nan 0.000 0.451 38 S N 4.651 120.406 115.700 0.092 0.000 2.521 38 S HA 0.558 5.028 4.470 -0.001 0.000 0.295 38 S C -0.428 174.233 174.600 0.103 0.000 1.098 38 S CA -0.745 57.541 58.200 0.144 0.000 0.999 38 S CB 1.718 65.114 63.200 0.327 0.000 1.034 38 S HN 0.670 nan 8.310 nan 0.000 0.483 39 R N 3.359 123.893 120.500 0.056 0.000 2.229 39 R HA 0.441 4.781 4.340 -0.001 0.000 0.332 39 R C -0.605 175.715 176.300 0.033 0.000 0.989 39 R CA -0.375 55.735 56.100 0.018 0.000 0.842 39 R CB 0.308 30.585 30.300 -0.038 0.000 1.119 39 R HN 0.621 nan 8.270 nan 0.000 0.456 40 L N 3.420 124.658 121.223 0.024 0.000 2.479 40 L HA 0.099 4.438 4.340 -0.001 0.000 0.248 40 L C 2.181 179.038 176.870 -0.022 0.000 1.205 40 L CA -0.598 54.257 54.840 0.024 0.000 0.817 40 L CB 0.404 42.461 42.059 -0.002 0.000 1.162 40 L HN 0.737 nan 8.230 nan 0.000 0.486 41 H N -0.635 118.395 119.070 -0.067 0.000 2.456 41 H HA -0.122 4.434 4.556 -0.001 0.000 0.296 41 H C 1.590 176.873 175.328 -0.074 0.000 1.079 41 H CA 1.768 57.765 56.048 -0.086 0.000 1.322 41 H CB -0.802 28.916 29.762 -0.074 0.000 1.388 41 H HN 0.778 nan 8.280 nan 0.000 0.538 42 T N -3.625 110.543 114.554 -0.643 0.000 3.043 42 T HA 0.279 4.628 4.350 -0.001 0.000 0.263 42 T C 1.823 176.397 174.700 -0.211 0.000 1.094 42 T CA 1.057 62.897 62.100 -0.434 0.000 1.127 42 T CB -0.203 68.397 68.868 -0.446 0.000 0.905 42 T HN 0.657 nan 8.240 nan 0.000 0.490 43 G N 1.813 110.514 108.800 -0.165 0.000 2.201 43 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.212 43 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.212 43 G C -0.112 174.739 174.900 -0.082 0.000 0.994 43 G CA -0.050 44.986 45.100 -0.107 0.000 0.644 43 G HN 0.968 nan 8.290 nan 0.000 0.508 44 E N 0.649 120.797 120.200 -0.086 0.000 2.398 44 E HA 0.484 4.833 4.350 -0.001 0.000 0.263 44 E C -0.235 176.353 176.600 -0.020 0.000 1.046 44 E CA -0.462 55.907 56.400 -0.051 0.000 0.908 44 E CB 1.712 31.384 29.700 -0.047 0.000 0.963 44 E HN 0.219 nan 8.360 nan 0.000 0.431 45 V N 3.416 123.321 119.914 -0.015 0.000 2.370 45 V HA 0.118 4.238 4.120 -0.001 0.000 0.279 45 V C 0.022 176.120 176.094 0.007 0.000 1.029 45 V CA -0.651 61.646 62.300 -0.005 0.000 0.870 45 V CB 0.836 32.640 31.823 -0.032 0.000 0.984 45 V HN 0.664 nan 8.190 nan 0.000 0.451 46 H N 6.405 125.429 119.070 -0.077 0.000 2.457 46 H HA 0.586 5.142 4.556 -0.001 0.000 0.335 46 H C -0.697 174.512 175.328 -0.198 0.000 1.115 46 H CA -0.816 55.140 56.048 -0.153 0.000 1.219 46 H CB 1.340 30.990 29.762 -0.187 0.000 1.471 46 H HN 0.613 nan 8.280 nan 0.000 0.491 47 R N 3.110 123.195 120.500 -0.692 0.000 2.480 47 R HA 0.358 4.697 4.340 -0.001 0.000 0.306 47 R C -0.507 175.453 176.300 -0.566 0.000 0.958 47 R CA -0.765 55.065 56.100 -0.450 0.000 0.861 47 R CB 2.213 32.346 30.300 -0.279 0.000 1.171 47 R HN 0.616 nan 8.270 nan 0.000 0.445 48 T N 0.288 114.653 114.554 -0.315 0.000 2.696 48 T HA 0.580 4.929 4.350 -0.001 0.000 0.291 48 T C -0.837 173.782 174.700 -0.134 0.000 1.095 48 T CA -0.420 61.558 62.100 -0.204 0.000 1.026 48 T CB 1.905 70.701 68.868 -0.119 0.000 1.390 48 T HN 0.691 nan 8.240 nan 0.000 0.513 49 T N -0.636 113.872 114.554 -0.077 0.000 2.887 49 T HA 0.525 4.874 4.350 -0.001 0.000 0.292 49 T C 0.229 174.912 174.700 -0.030 0.000 1.087 49 T CA -0.598 61.454 62.100 -0.080 0.000 1.009 49 T CB 0.821 69.683 68.868 -0.010 0.000 1.203 49 T HN 0.514 nan 8.240 nan 0.000 0.518 50 Y N 0.619 120.946 120.300 0.045 0.000 2.207 50 Y HA 0.052 4.601 4.550 -0.001 0.000 0.287 50 Y C 2.998 178.930 175.900 0.053 0.000 1.156 50 Y CA 1.755 59.876 58.100 0.035 0.000 1.182 50 Y CB -1.061 37.406 38.460 0.012 0.000 0.979 50 Y HN 0.875 nan 8.280 nan 0.000 0.521 51 A N -0.035 122.905 122.820 0.200 0.000 1.902 51 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 51 A C 2.103 179.814 177.584 0.211 0.000 1.181 51 A CA 1.873 54.012 52.037 0.170 0.000 0.623 51 A CB -0.570 18.494 19.000 0.107 0.000 0.818 51 A HN 0.520 nan 8.150 nan 0.000 0.443 52 E N -0.477 119.817 120.200 0.157 0.000 2.072 52 E HA -0.089 4.261 4.350 -0.001 0.000 0.190 52 E C 1.971 178.691 176.600 0.201 0.000 0.982 52 E CA 1.110 57.601 56.400 0.152 0.000 0.803 52 E CB -0.233 29.525 29.700 0.098 0.000 0.755 52 E HN 0.367 nan 8.360 nan 0.000 0.453 53 V N 0.903 120.945 119.914 0.214 0.000 2.343 53 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 53 V C 2.070 178.324 176.094 0.267 0.000 1.051 53 V CA 1.866 64.322 62.300 0.259 0.000 1.036 53 V CB -0.541 31.427 31.823 0.243 0.000 0.654 53 V HN 0.326 nan 8.190 nan 0.000 0.451 54 Y N 0.581 120.942 120.300 0.102 0.000 2.181 54 Y HA -0.250 4.299 4.550 -0.001 0.000 0.288 54 Y C 2.752 178.763 175.900 0.184 0.000 1.146 54 Y CA 2.197 60.330 58.100 0.055 0.000 1.164 54 Y CB -0.293 38.152 38.460 -0.025 0.000 0.982 54 Y HN 0.175 nan 8.280 nan 0.000 0.515 55 Q N 0.772 120.661 119.800 0.149 0.000 2.050 55 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 55 Q C 2.280 178.326 176.000 0.076 0.000 0.980 55 Q CA 1.944 57.787 55.803 0.066 0.000 0.840 55 Q CB -0.184 28.632 28.738 0.130 0.000 0.898 55 Q HN 0.534 nan 8.270 nan 0.000 0.424 56 R N -0.490 120.101 120.500 0.151 0.000 2.148 56 R HA 0.025 4.364 4.340 -0.001 0.000 0.223 56 R C 2.264 178.679 176.300 0.191 0.000 1.088 56 R CA 0.851 57.056 56.100 0.175 0.000 0.985 56 R CB -0.206 30.247 30.300 0.255 0.000 0.880 56 R HN 0.225 nan 8.270 nan 0.000 0.451 57 A N 1.123 124.095 122.820 0.252 0.000 1.930 57 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 57 A C 1.990 179.739 177.584 0.275 0.000 1.175 57 A CA 1.052 53.300 52.037 0.353 0.000 0.627 57 A CB -0.245 19.071 19.000 0.526 0.000 0.815 57 A HN 0.181 nan 8.150 nan 0.000 0.443 58 R N -0.774 119.834 120.500 0.179 0.000 2.092 58 R HA -0.032 4.308 4.340 -0.001 0.000 0.231 58 R C 2.387 178.675 176.300 -0.020 0.000 1.119 58 R CA 1.336 57.440 56.100 0.006 0.000 0.970 58 R CB -0.227 30.022 30.300 -0.085 0.000 0.864 58 R HN 0.455 nan 8.270 nan 0.000 0.440 59 R N 0.159 120.665 120.500 0.010 0.000 2.115 59 R HA -0.086 4.253 4.340 -0.001 0.000 0.230 59 R C 2.122 178.396 176.300 -0.044 0.000 1.111 59 R CA 0.771 56.862 56.100 -0.014 0.000 0.976 59 R CB -0.260 30.042 30.300 0.004 0.000 0.870 59 R HN 0.107 nan 8.270 nan 0.000 0.445 60 L N 0.757 121.968 121.223 -0.019 0.000 2.093 60 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 60 L C 2.025 178.868 176.870 -0.045 0.000 1.085 60 L CA 1.604 56.410 54.840 -0.058 0.000 0.755 60 L CB -0.239 41.833 42.059 0.022 0.000 0.904 60 L HN 0.133 nan 8.230 nan 0.000 0.435 61 M N -1.129 118.451 119.600 -0.033 0.000 2.086 61 M HA -0.130 4.349 4.480 -0.001 0.000 0.261 61 M C 2.153 178.404 176.300 -0.081 0.000 1.067 61 M CA 1.840 57.097 55.300 -0.072 0.000 1.116 61 M CB -1.165 31.346 32.600 -0.148 0.000 1.348 61 M HN 0.443 nan 8.290 nan 0.000 0.407 62 G N -0.338 108.414 108.800 -0.081 0.000 2.408 62 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.217 62 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.217 62 G C 1.480 176.333 174.900 -0.078 0.000 1.150 62 G CA 0.946 46.001 45.100 -0.075 0.000 0.776 62 G HN 0.568 nan 8.290 nan 0.000 0.542 63 G N 0.866 109.613 108.800 -0.089 0.000 2.402 63 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.216 63 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.216 63 G C 1.781 176.611 174.900 -0.117 0.000 1.162 63 G CA 0.588 45.621 45.100 -0.111 0.000 0.777 63 G HN 0.410 nan 8.290 nan 0.000 0.539 64 L N -0.216 120.948 121.223 -0.099 0.000 2.141 64 L HA 0.023 4.363 4.340 -0.001 0.000 0.209 64 L C 2.922 179.747 176.870 -0.075 0.000 1.094 64 L CA 0.778 55.568 54.840 -0.083 0.000 0.763 64 L CB -0.272 41.759 42.059 -0.047 0.000 0.908 64 L HN 0.162 nan 8.230 nan 0.000 0.437 65 R N 0.336 120.794 120.500 -0.070 0.000 2.096 65 R HA -0.167 4.173 4.340 -0.001 0.000 0.235 65 R C 2.235 178.497 176.300 -0.063 0.000 1.127 65 R CA 1.366 57.430 56.100 -0.060 0.000 0.968 65 R CB -0.178 30.086 30.300 -0.060 0.000 0.861 65 R HN 0.349 nan 8.270 nan 0.000 0.440 66 A N 0.609 123.381 122.820 -0.081 0.000 2.067 66 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 66 A C 1.864 179.377 177.584 -0.118 0.000 1.158 66 A CA 0.867 52.853 52.037 -0.086 0.000 0.661 66 A CB -0.179 18.767 19.000 -0.091 0.000 0.801 66 A HN 0.325 nan 8.150 nan 0.000 0.452 67 L N -1.345 119.779 121.223 -0.165 0.000 2.611 67 L HA 0.260 4.600 4.340 -0.001 0.000 0.229 67 L C 1.479 178.330 176.870 -0.032 0.000 1.137 67 L CA 0.482 55.159 54.840 -0.272 0.000 0.901 67 L CB -0.054 41.735 42.059 -0.450 0.000 1.098 67 L HN 0.534 nan 8.230 nan 0.000 0.456 68 G N 0.013 108.804 108.800 -0.016 0.000 2.141 68 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.231 68 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.231 68 G C 0.126 175.031 174.900 0.008 0.000 0.984 68 G CA -0.164 44.946 45.100 0.018 0.000 0.660 68 G HN 0.077 nan 8.290 nan 0.000 0.525 69 V N 1.013 120.923 119.914 -0.007 0.000 2.455 69 V HA 0.641 4.761 4.120 -0.001 0.000 0.273 69 V C 1.202 177.286 176.094 -0.018 0.000 1.045 69 V CA 0.673 62.968 62.300 -0.009 0.000 0.976 69 V CB 1.036 32.853 31.823 -0.011 0.000 0.993 69 V HN 0.726 nan 8.190 nan 0.000 0.475 70 G N 3.341 112.132 108.800 -0.016 0.000 3.016 70 G HA2 0.579 4.538 3.960 -0.001 0.000 0.270 70 G HA3 0.579 4.538 3.960 -0.001 0.000 0.270 70 G C -0.661 174.227 174.900 -0.020 0.000 1.352 70 G CA -0.784 44.303 45.100 -0.021 0.000 1.060 70 G HN 0.487 nan 8.290 nan 0.000 0.538 71 V N 0.827 120.728 119.914 -0.022 0.000 2.529 71 V HA 0.421 4.541 4.120 -0.001 0.000 0.292 71 V C 1.585 177.668 176.094 -0.019 0.000 1.028 71 V CA 1.791 64.080 62.300 -0.019 0.000 1.074 71 V CB 0.310 32.120 31.823 -0.022 0.000 0.958 71 V HN 1.901 nan 8.190 nan 0.000 0.481 72 G N 3.813 112.602 108.800 -0.018 0.000 2.217 72 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.246 72 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.246 72 G C 0.002 174.877 174.900 -0.042 0.000 0.990 72 G CA 0.043 45.123 45.100 -0.033 0.000 0.627 72 G HN 0.655 nan 8.290 nan 0.000 0.522 73 D N 0.586 120.970 120.400 -0.027 0.000 2.372 73 D HA 0.523 5.163 4.640 -0.001 0.000 0.243 73 D C 0.874 177.162 176.300 -0.019 0.000 1.121 73 D CA 0.048 54.033 54.000 -0.024 0.000 0.898 73 D CB 0.591 41.383 40.800 -0.013 0.000 1.202 73 D HN 0.177 nan 8.370 nan 0.000 0.428 74 R N 0.426 120.917 120.500 -0.015 0.000 2.254 74 R HA 0.455 4.794 4.340 -0.001 0.000 0.318 74 R C -0.816 175.509 176.300 0.042 0.000 1.031 74 R CA -0.499 55.608 56.100 0.013 0.000 0.905 74 R CB 1.118 31.425 30.300 0.012 0.000 1.050 74 R HN 0.088 nan 8.270 nan 0.000 0.456 75 V N 3.037 122.989 119.914 0.063 0.000 2.378 75 V HA 0.644 4.764 4.120 -0.001 0.000 0.288 75 V C -0.100 176.050 176.094 0.093 0.000 1.016 75 V CA -0.939 61.399 62.300 0.063 0.000 0.840 75 V CB 1.575 33.433 31.823 0.058 0.000 0.994 75 V HN 0.895 nan 8.190 nan 0.000 0.431 76 A N 3.910 126.769 122.820 0.065 0.000 2.295 76 A HA 0.907 5.227 4.320 -0.001 0.000 0.318 76 A C 0.296 177.886 177.584 0.010 0.000 1.134 76 A CA -0.335 51.714 52.037 0.020 0.000 0.827 76 A CB 1.078 20.041 19.000 -0.061 0.000 1.136 76 A HN 0.921 nan 8.150 nan 0.000 0.493 77 T N -0.606 113.940 114.554 -0.014 0.000 2.876 77 T HA 0.662 5.011 4.350 -0.001 0.000 0.289 77 T C -0.770 173.891 174.700 -0.066 0.000 1.014 77 T CA -0.474 61.601 62.100 -0.041 0.000 0.986 77 T CB 0.967 69.783 68.868 -0.087 0.000 1.021 77 T HN 0.426 nan 8.240 nan 0.000 0.458 78 L N 2.383 123.570 121.223 -0.061 0.000 2.462 78 L HA 0.716 5.056 4.340 -0.001 0.000 0.255 78 L C 0.323 177.138 176.870 -0.092 0.000 1.076 78 L CA -0.350 54.429 54.840 -0.102 0.000 0.920 78 L CB 0.877 42.900 42.059 -0.061 0.000 1.214 78 L HN 1.154 nan 8.230 nan 0.000 0.472 79 G N 0.608 109.328 108.800 -0.133 0.000 2.576 79 G HA2 0.523 4.483 3.960 -0.001 0.000 0.290 79 G HA3 0.523 4.483 3.960 -0.001 0.000 0.290 79 G C -1.385 173.557 174.900 0.070 0.000 1.442 79 G CA -0.511 44.568 45.100 -0.035 0.000 0.792 79 G HN 0.047 nan 8.290 nan 0.000 0.491 80 F N -0.239 119.858 119.950 0.245 0.000 2.266 80 F HA 0.428 4.954 4.527 -0.001 0.000 0.306 80 F C 0.743 176.503 175.800 -0.066 0.000 1.016 80 F CA -0.837 57.258 58.000 0.158 0.000 1.127 80 F CB 0.709 39.783 39.000 0.123 0.000 1.735 80 F HN 0.155 nan 8.300 nan 0.000 0.540 81 N N 0.959 119.704 118.700 0.074 0.000 2.401 81 N HA 0.181 4.921 4.740 -0.001 0.000 0.255 81 N C -0.858 174.614 175.510 -0.064 0.000 1.110 81 N CA -0.135 52.819 53.050 -0.161 0.000 0.949 81 N CB -0.344 38.032 38.487 -0.184 0.000 1.110 81 N HN 0.576 nan 8.380 nan 0.000 0.490 82 H N -0.733 118.333 119.070 -0.006 0.000 2.948 82 H HA 0.134 4.689 4.556 -0.001 0.000 0.315 82 H C 0.376 175.692 175.328 -0.021 0.000 1.360 82 H CA -0.787 55.268 56.048 0.011 0.000 1.125 82 H CB 0.197 29.942 29.762 -0.028 0.000 1.844 82 H HN 0.234 nan 8.280 nan 0.000 0.529 83 F N 0.975 120.995 119.950 0.117 0.000 2.216 83 F HA 0.111 4.637 4.527 -0.001 0.000 0.300 83 F C 2.142 177.992 175.800 0.084 0.000 1.085 83 F CA 0.702 58.734 58.000 0.054 0.000 1.326 83 F CB -0.606 38.410 39.000 0.028 0.000 1.027 83 F HN 0.283 nan 8.300 nan 0.000 0.497 84 R N -0.518 119.536 120.500 -0.745 0.000 2.115 84 R HA -0.125 4.214 4.340 -0.001 0.000 0.230 84 R C 2.201 178.407 176.300 -0.156 0.000 1.111 84 R CA 1.524 57.223 56.100 -0.668 0.000 0.976 84 R CB -0.833 28.765 30.300 -1.170 0.000 0.870 84 R HN 0.531 nan 8.270 nan 0.000 0.445 85 H N -0.070 118.869 119.070 -0.219 0.000 2.395 85 H HA -0.069 4.487 4.556 -0.001 0.000 0.299 85 H C 2.030 177.281 175.328 -0.127 0.000 1.070 85 H CA 0.798 56.706 56.048 -0.234 0.000 1.356 85 H CB 0.307 29.723 29.762 -0.578 0.000 1.401 85 H HN 0.034 nan 8.280 nan 0.000 0.524 86 L N 1.041 122.249 121.223 -0.024 0.000 2.141 86 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 86 L C 1.886 178.961 176.870 0.341 0.000 1.094 86 L CA 1.582 56.435 54.840 0.022 0.000 0.763 86 L CB -0.217 41.878 42.059 0.059 0.000 0.908 86 L HN 0.254 nan 8.230 nan 0.000 0.437 87 E N -0.550 119.845 120.200 0.325 0.000 2.106 87 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 87 E C 2.175 179.052 176.600 0.462 0.000 0.984 87 E CA 1.057 57.712 56.400 0.425 0.000 0.806 87 E CB -0.258 29.678 29.700 0.393 0.000 0.750 87 E HN 0.639 nan 8.360 nan 0.000 0.458 88 A N 0.213 123.273 122.820 0.400 0.000 1.969 88 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 88 A C 1.755 179.574 177.584 0.392 0.000 1.169 88 A CA 0.858 53.122 52.037 0.378 0.000 0.635 88 A CB -0.700 18.498 19.000 0.330 0.000 0.810 88 A HN 0.326 nan 8.150 nan 0.000 0.445 89 Y N -2.109 118.284 120.300 0.155 0.000 2.384 89 Y HA -0.214 4.335 4.550 -0.001 0.000 0.289 89 Y C 1.721 177.598 175.900 -0.038 0.000 1.152 89 Y CA 1.298 59.367 58.100 -0.051 0.000 1.258 89 Y CB -0.054 38.160 38.460 -0.410 0.000 0.979 89 Y HN 0.409 nan 8.280 nan 0.000 0.549 90 F N -2.746 117.506 119.950 0.505 0.000 2.592 90 F HA 0.198 4.724 4.527 -0.001 0.000 0.280 90 F C 2.176 178.355 175.800 0.630 0.000 1.083 90 F CA 0.531 58.874 58.000 0.572 0.000 1.365 90 F CB -0.761 38.524 39.000 0.475 0.000 1.100 90 F HN -0.140 nan 8.300 nan 0.000 0.633 91 A N 0.230 123.446 122.820 0.659 0.000 1.877 91 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 91 A C 2.233 179.946 177.584 0.215 0.000 1.186 91 A CA 2.124 54.401 52.037 0.399 0.000 0.620 91 A CB -1.145 18.035 19.000 0.300 0.000 0.822 91 A HN 0.131 nan 8.150 nan 0.000 0.443 92 V N 0.457 120.496 119.914 0.210 0.000 2.261 92 V HA -0.147 3.973 4.120 -0.001 0.000 0.246 92 V C -0.238 175.924 176.094 0.113 0.000 1.047 92 V CA 2.416 64.791 62.300 0.124 0.000 1.015 92 V CB -1.644 30.243 31.823 0.107 0.000 0.642 92 V HN 0.393 nan 8.190 nan 0.000 0.446 93 P HA -0.047 nan 4.420 nan 0.000 0.221 93 P C 1.681 179.151 177.300 0.284 0.000 1.150 93 P CA 1.618 64.817 63.100 0.165 0.000 0.800 93 P CB -0.290 31.450 31.700 0.066 0.000 0.787 94 G N 0.843 109.800 108.800 0.262 0.000 2.432 94 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.219 94 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.219 94 G C 1.269 176.068 174.900 -0.168 0.000 1.135 94 G CA 0.867 45.994 45.100 0.044 0.000 0.767 94 G HN 0.368 nan 8.290 nan 0.000 0.550 95 M N -0.840 118.703 119.600 -0.093 0.000 2.494 95 M HA 0.463 4.943 4.480 -0.001 0.000 0.232 95 M C 1.355 177.627 176.300 -0.047 0.000 1.137 95 M CA 0.796 56.032 55.300 -0.108 0.000 1.012 95 M CB 0.372 32.917 32.600 -0.091 0.000 1.567 95 M HN 0.317 nan 8.290 nan 0.000 0.486 96 G N 0.936 109.742 108.800 0.010 0.000 2.141 96 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.242 96 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.242 96 G C 0.084 175.008 174.900 0.040 0.000 0.982 96 G CA 0.112 45.235 45.100 0.039 0.000 0.662 96 G HN 0.943 nan 8.290 nan 0.000 0.527 97 A N -1.019 121.823 122.820 0.037 0.000 2.247 97 A HA 0.897 5.216 4.320 -0.001 0.000 0.313 97 A C 0.165 177.757 177.584 0.012 0.000 1.109 97 A CA -0.058 51.990 52.037 0.017 0.000 0.890 97 A CB 1.511 20.519 19.000 0.014 0.000 1.239 97 A HN 1.162 nan 8.150 nan 0.000 0.506 98 V N 0.838 120.749 119.914 -0.006 0.000 2.370 98 V HA 0.313 4.433 4.120 -0.001 0.000 0.283 98 V C -0.433 175.672 176.094 0.019 0.000 1.023 98 V CA -0.324 61.962 62.300 -0.023 0.000 0.857 98 V CB 0.954 32.737 31.823 -0.066 0.000 0.985 98 V HN 0.697 nan 8.190 nan 0.000 0.443 99 L N 5.362 126.596 121.223 0.018 0.000 2.325 99 L HA 0.345 4.684 4.340 -0.001 0.000 0.284 99 L C 0.191 177.142 176.870 0.135 0.000 1.089 99 L CA 0.399 55.272 54.840 0.055 0.000 0.836 99 L CB 0.025 42.071 42.059 -0.022 0.000 1.184 99 L HN 0.749 nan 8.230 nan 0.000 0.444 100 H N 3.958 123.060 119.070 0.053 0.000 2.746 100 H HA 0.252 4.808 4.556 -0.001 0.000 0.269 100 H C -0.580 174.825 175.328 0.128 0.000 1.248 100 H CA -0.666 55.440 56.048 0.097 0.000 1.258 100 H CB 0.413 30.232 29.762 0.095 0.000 1.441 100 H HN 0.741 nan 8.280 nan 0.000 0.508 101 T N 2.490 117.189 114.554 0.242 0.000 2.727 101 T HA 0.485 4.834 4.350 -0.001 0.000 0.295 101 T C 0.450 175.224 174.700 0.124 0.000 0.915 101 T CA -0.864 61.353 62.100 0.195 0.000 1.066 101 T CB 1.038 70.068 68.868 0.270 0.000 0.891 101 T HN 0.543 nan 8.240 nan 0.000 0.516 102 A N 3.757 126.530 122.820 -0.078 0.000 2.303 102 A HA 0.601 4.920 4.320 -0.001 0.000 0.317 102 A C 0.386 177.878 177.584 -0.154 0.000 1.149 102 A CA -0.987 50.964 52.037 -0.143 0.000 0.822 102 A CB 0.603 19.410 19.000 -0.321 0.000 1.131 102 A HN 0.777 nan 8.150 nan 0.000 0.493 103 N N 2.295 120.909 118.700 -0.144 0.000 2.420 103 N HA 0.258 4.997 4.740 -0.001 0.000 0.249 103 N C -1.896 173.329 175.510 -0.474 0.000 1.033 103 N CA -2.086 50.714 53.050 -0.417 0.000 0.944 103 N CB 1.355 39.851 38.487 0.016 0.000 1.113 103 N HN 0.295 nan 8.380 nan 0.000 0.502 104 P HA 0.017 nan 4.420 nan 0.000 0.233 104 P C 0.549 177.684 177.300 -0.276 0.000 1.167 104 P CA 0.640 63.471 63.100 -0.449 0.000 0.770 104 P CB 0.485 31.878 31.700 -0.511 0.000 0.837 105 R N -0.760 119.567 120.500 -0.288 0.000 2.310 105 R HA 0.210 4.550 4.340 -0.001 0.000 0.202 105 R C 1.093 177.429 176.300 0.060 0.000 0.933 105 R CA -0.094 55.946 56.100 -0.100 0.000 1.054 105 R CB -0.224 30.004 30.300 -0.120 0.000 0.985 105 R HN 0.274 nan 8.270 nan 0.000 0.489 106 L N 0.861 122.112 121.223 0.047 0.000 2.475 106 L HA 0.082 4.422 4.340 -0.001 0.000 0.253 106 L C 0.973 177.897 176.870 0.089 0.000 1.198 106 L CA -0.346 54.572 54.840 0.130 0.000 0.814 106 L CB 0.511 42.619 42.059 0.082 0.000 1.134 106 L HN 0.064 nan 8.230 nan 0.000 0.478 107 S N 0.022 115.759 115.700 0.061 0.000 2.572 107 S HA 0.124 4.593 4.470 -0.001 0.000 0.279 107 S C -1.841 172.745 174.600 -0.022 0.000 1.341 107 S CA -0.995 57.203 58.200 -0.004 0.000 1.043 107 S CB 0.908 64.050 63.200 -0.096 0.000 0.887 107 S HN 0.389 nan 8.310 nan 0.000 0.516 108 P HA -0.093 nan 4.420 nan 0.000 0.217 108 P C 0.880 178.161 177.300 -0.032 0.000 1.148 108 P CA 1.298 64.378 63.100 -0.034 0.000 0.828 108 P CB 0.047 31.726 31.700 -0.035 0.000 0.783 109 K N -0.629 119.745 120.400 -0.044 0.000 2.167 109 K HA -0.066 4.253 4.320 -0.001 0.000 0.203 109 K C 2.031 178.625 176.600 -0.011 0.000 1.052 109 K CA 1.037 57.302 56.287 -0.037 0.000 0.956 109 K CB -0.347 32.109 32.500 -0.074 0.000 0.735 109 K HN 0.182 nan 8.250 nan 0.000 0.451 110 E N 0.181 120.365 120.200 -0.027 0.000 2.072 110 E HA -0.093 4.257 4.350 -0.001 0.000 0.191 110 E C 1.781 178.405 176.600 0.041 0.000 0.985 110 E CA 0.977 57.382 56.400 0.007 0.000 0.801 110 E CB -0.002 29.696 29.700 -0.004 0.000 0.750 110 E HN 0.208 nan 8.360 nan 0.000 0.452 111 I N 0.854 121.425 120.570 0.001 0.000 2.252 111 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 111 I C 2.483 178.586 176.117 -0.023 0.000 1.102 111 I CA 0.938 62.221 61.300 -0.029 0.000 1.385 111 I CB -0.269 37.696 38.000 -0.058 0.000 1.064 111 I HN 0.082 nan 8.210 nan 0.000 0.414 112 A N 0.155 122.976 122.820 0.001 0.000 1.933 112 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 112 A C 2.313 179.913 177.584 0.027 0.000 1.175 112 A CA 1.487 53.530 52.037 0.011 0.000 0.628 112 A CB -0.994 18.016 19.000 0.017 0.000 0.814 112 A HN 0.563 nan 8.150 nan 0.000 0.444 113 Y N 1.321 121.584 120.300 -0.062 0.000 2.163 113 Y HA -0.190 4.360 4.550 -0.001 0.000 0.288 113 Y C 2.037 177.880 175.900 -0.095 0.000 1.136 113 Y CA 2.042 60.105 58.100 -0.062 0.000 1.147 113 Y CB -0.259 38.155 38.460 -0.077 0.000 0.987 113 Y HN 0.401 nan 8.280 nan 0.000 0.509 114 I N -1.823 118.601 120.570 -0.244 0.000 2.546 114 I HA -0.146 4.023 4.170 -0.001 0.000 0.255 114 I C 1.842 177.801 176.117 -0.263 0.000 1.163 114 I CA 1.272 62.231 61.300 -0.568 0.000 1.457 114 I CB -0.574 37.061 38.000 -0.608 0.000 1.092 114 I HN 0.211 nan 8.210 nan 0.000 0.434 115 L N 1.129 122.294 121.223 -0.096 0.000 2.109 115 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 115 L C 2.292 179.149 176.870 -0.021 0.000 1.086 115 L CA 1.034 55.876 54.840 0.004 0.000 0.760 115 L CB -0.761 41.285 42.059 -0.022 0.000 0.910 115 L HN 0.334 nan 8.230 nan 0.000 0.437 116 N N -1.237 117.414 118.700 -0.080 0.000 2.250 116 N HA -0.178 4.561 4.740 -0.001 0.000 0.181 116 N C 1.823 177.273 175.510 -0.101 0.000 1.017 116 N CA 0.890 53.892 53.050 -0.079 0.000 0.866 116 N CB -0.246 38.196 38.487 -0.074 0.000 0.985 116 N HN 0.387 nan 8.380 nan 0.000 0.429 117 H N 0.736 119.623 119.070 -0.305 0.000 2.363 117 H HA 0.100 4.656 4.556 -0.001 0.000 0.301 117 H C 1.402 176.758 175.328 0.046 0.000 1.074 117 H CA 1.424 57.325 56.048 -0.244 0.000 1.354 117 H CB 0.305 29.758 29.762 -0.515 0.000 1.397 117 H HN 0.144 nan 8.280 nan 0.000 0.516 118 A N 0.561 123.476 122.820 0.157 0.000 2.119 118 A HA -0.033 4.287 4.320 -0.001 0.000 0.216 118 A C 0.723 178.335 177.584 0.047 0.000 1.152 118 A CA 0.712 52.839 52.037 0.149 0.000 0.708 118 A CB -0.152 18.853 19.000 0.009 0.000 0.805 118 A HN 0.644 nan 8.150 nan 0.000 0.460 119 E N 0.949 121.161 120.200 0.021 0.000 2.320 119 E HA -0.145 4.205 4.350 -0.001 0.000 0.234 119 E C -1.236 175.365 176.600 0.002 0.000 1.183 119 E CA 0.516 56.913 56.400 -0.004 0.000 0.713 119 E CB -1.616 28.076 29.700 -0.013 0.000 1.226 119 E HN 0.704 nan 8.360 nan 0.000 0.382 120 D N 0.579 120.995 120.400 0.027 0.000 2.455 120 D HA -0.018 4.622 4.640 -0.001 0.000 0.241 120 D C 1.105 177.386 176.300 -0.032 0.000 1.138 120 D CA 0.482 54.498 54.000 0.027 0.000 0.877 120 D CB 1.113 41.951 40.800 0.065 0.000 1.187 120 D HN 0.209 nan 8.370 nan 0.000 0.451 121 K N 0.902 121.284 120.400 -0.029 0.000 2.202 121 K HA 0.081 4.401 4.320 -0.001 0.000 0.201 121 K C 0.022 176.581 176.600 -0.068 0.000 1.051 121 K CA 0.426 56.686 56.287 -0.044 0.000 0.977 121 K CB 0.612 33.106 32.500 -0.010 0.000 0.792 121 K HN 0.187 nan 8.250 nan 0.000 0.469 122 V N 1.860 121.745 119.914 -0.048 0.000 2.709 122 V HA 0.347 4.467 4.120 -0.001 0.000 0.308 122 V C -1.339 174.716 176.094 -0.065 0.000 1.062 122 V CA -1.071 61.197 62.300 -0.053 0.000 0.901 122 V CB 1.796 33.631 31.823 0.019 0.000 1.003 122 V HN 0.081 nan 8.190 nan 0.000 0.425 123 L N 5.211 126.372 121.223 -0.104 0.000 2.325 123 L HA 0.731 5.071 4.340 -0.001 0.000 0.281 123 L C -1.240 175.737 176.870 0.178 0.000 1.004 123 L CA -0.133 54.710 54.840 0.005 0.000 0.823 123 L CB 1.414 43.441 42.059 -0.054 0.000 1.236 123 L HN 0.547 nan 8.230 nan 0.000 0.415 124 L N 6.658 127.973 121.223 0.153 0.000 2.296 124 L HA 0.664 5.004 4.340 -0.001 0.000 0.286 124 L C -0.693 176.275 176.870 0.164 0.000 1.023 124 L CA 0.019 54.940 54.840 0.134 0.000 0.812 124 L CB 1.274 43.377 42.059 0.073 0.000 1.223 124 L HN 0.629 nan 8.230 nan 0.000 0.421 125 F N -0.414 119.538 119.950 0.005 0.000 2.626 125 F HA 0.644 5.170 4.527 -0.001 0.000 0.311 125 F C -0.644 175.126 175.800 -0.051 0.000 1.088 125 F CA -1.345 56.634 58.000 -0.034 0.000 0.949 125 F CB 0.855 39.855 39.000 0.001 0.000 1.322 125 F HN 0.231 nan 8.300 nan 0.000 0.461 126 D N 3.328 123.768 120.400 0.066 0.000 2.372 126 D HA 0.254 4.894 4.640 -0.001 0.000 0.243 126 D C -1.721 174.521 176.300 -0.096 0.000 1.121 126 D CA -1.757 52.208 54.000 -0.059 0.000 0.898 126 D CB 1.154 42.001 40.800 0.078 0.000 1.202 126 D HN 0.293 nan 8.370 nan 0.000 0.428 127 P HA -0.154 nan 4.420 nan 0.000 0.216 127 P C 0.572 177.755 177.300 -0.194 0.000 1.153 127 P CA 1.317 64.262 63.100 -0.258 0.000 0.858 127 P CB -0.039 31.466 31.700 -0.325 0.000 0.789 128 N N -0.850 117.655 118.700 -0.325 0.000 2.571 128 N HA -0.043 4.697 4.740 -0.001 0.000 0.189 128 N C 1.057 176.553 175.510 -0.024 0.000 1.154 128 N CA 0.467 53.413 53.050 -0.173 0.000 0.907 128 N CB -0.864 37.504 38.487 -0.199 0.000 0.977 128 N HN 0.144 nan 8.380 nan 0.000 0.449 129 L N -0.196 121.056 121.223 0.048 0.000 2.769 129 L HA 0.265 4.605 4.340 -0.001 0.000 0.240 129 L C 1.382 178.268 176.870 0.027 0.000 1.163 129 L CA -0.252 54.629 54.840 0.069 0.000 0.962 129 L CB 0.125 42.249 42.059 0.108 0.000 1.258 129 L HN 0.188 nan 8.230 nan 0.000 0.513 130 L N 1.576 122.842 121.223 0.071 0.000 2.012 130 L HA -0.061 4.278 4.340 -0.001 0.000 0.210 130 L C -0.542 176.247 176.870 -0.135 0.000 1.073 130 L CA 2.205 57.036 54.840 -0.016 0.000 0.748 130 L CB -1.078 40.968 42.059 -0.020 0.000 0.891 130 L HN 0.089 nan 8.230 nan 0.000 0.431 131 P HA -0.197 nan 4.420 nan 0.000 0.216 131 P C 1.950 179.195 177.300 -0.091 0.000 1.153 131 P CA 1.379 64.435 63.100 -0.073 0.000 0.858 131 P CB -0.146 31.529 31.700 -0.042 0.000 0.789 132 L N -0.656 120.508 121.223 -0.099 0.000 2.017 132 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 132 L C 2.150 178.924 176.870 -0.160 0.000 1.073 132 L CA 1.861 56.636 54.840 -0.108 0.000 0.745 132 L CB -1.109 40.891 42.059 -0.097 0.000 0.894 132 L HN -0.198 nan 8.230 nan 0.000 0.432 133 V N -0.125 119.626 119.914 -0.271 0.000 2.358 133 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 133 V C 2.600 178.551 176.094 -0.238 0.000 1.047 133 V CA 1.828 63.913 62.300 -0.357 0.000 1.035 133 V CB -0.732 30.585 31.823 -0.843 0.000 0.658 133 V HN 0.477 nan 8.190 nan 0.000 0.452 134 E N 0.310 120.402 120.200 -0.179 0.000 2.160 134 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 134 E C 2.294 178.837 176.600 -0.095 0.000 0.991 134 E CA 1.509 57.849 56.400 -0.101 0.000 0.810 134 E CB -0.241 29.422 29.700 -0.063 0.000 0.742 134 E HN 0.611 nan 8.360 nan 0.000 0.466 135 A N 1.347 124.113 122.820 -0.091 0.000 1.930 135 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 135 A C 2.180 179.726 177.584 -0.063 0.000 1.176 135 A CA 0.973 52.970 52.037 -0.067 0.000 0.632 135 A CB -0.415 18.552 19.000 -0.056 0.000 0.819 135 A HN 0.330 nan 8.150 nan 0.000 0.445 136 I N -3.888 116.638 120.570 -0.074 0.000 3.783 136 I HA 0.262 4.431 4.170 -0.001 0.000 0.310 136 I C 1.965 178.061 176.117 -0.036 0.000 1.274 136 I CA 0.503 61.774 61.300 -0.048 0.000 1.294 136 I CB -0.067 37.908 38.000 -0.041 0.000 1.051 136 I HN 0.171 nan 8.210 nan 0.000 0.435 137 R N 2.139 122.588 120.500 -0.086 0.000 2.103 137 R HA -0.135 4.204 4.340 -0.001 0.000 0.242 137 R C 2.245 178.517 176.300 -0.048 0.000 1.142 137 R CA 2.137 58.166 56.100 -0.118 0.000 0.960 137 R CB -0.755 29.338 30.300 -0.344 0.000 0.858 137 R HN 0.510 nan 8.270 nan 0.000 0.439 138 G N -0.506 108.260 108.800 -0.056 0.000 2.470 138 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.220 138 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.220 138 G C 1.057 175.951 174.900 -0.010 0.000 1.121 138 G CA 0.624 45.704 45.100 -0.033 0.000 0.766 138 G HN 0.337 nan 8.290 nan 0.000 0.553 139 E N -0.567 119.631 120.200 -0.003 0.000 2.400 139 E HA 0.229 4.578 4.350 -0.001 0.000 0.195 139 E C 0.980 177.593 176.600 0.020 0.000 1.012 139 E CA -0.247 56.157 56.400 0.007 0.000 0.875 139 E CB 0.068 29.771 29.700 0.004 0.000 0.859 139 E HN 0.312 nan 8.360 nan 0.000 0.498 140 L N 0.995 122.243 121.223 0.042 0.000 2.380 140 L HA 0.206 4.546 4.340 -0.001 0.000 0.273 140 L C 1.015 177.909 176.870 0.041 0.000 1.138 140 L CA 0.245 55.118 54.840 0.056 0.000 0.832 140 L CB 0.887 43.023 42.059 0.130 0.000 1.124 140 L HN -0.062 nan 8.230 nan 0.000 0.454 141 K N 0.176 120.584 120.400 0.014 0.000 2.380 141 K HA 0.068 4.387 4.320 -0.001 0.000 0.198 141 K C 1.203 177.794 176.600 -0.015 0.000 1.070 141 K CA 0.528 56.815 56.287 0.000 0.000 1.040 141 K CB 0.674 33.169 32.500 -0.007 0.000 0.903 141 K HN 0.812 nan 8.250 nan 0.000 0.549 142 T N -2.927 111.612 114.554 -0.025 0.000 2.964 142 T HA 0.148 4.498 4.350 -0.001 0.000 0.250 142 T C 0.642 175.289 174.700 -0.087 0.000 0.982 142 T CA -0.295 61.777 62.100 -0.047 0.000 0.959 142 T CB 0.033 68.877 68.868 -0.040 0.000 1.141 142 T HN -0.216 nan 8.240 nan 0.000 0.494 143 V N 3.260 123.101 119.914 -0.122 0.000 2.458 143 V HA 0.122 4.241 4.120 -0.001 0.000 0.287 143 V C 1.093 177.006 176.094 -0.303 0.000 1.009 143 V CA 0.431 62.558 62.300 -0.288 0.000 1.091 143 V CB 0.534 32.027 31.823 -0.550 0.000 0.960 143 V HN 0.509 nan 8.190 nan 0.000 0.476 144 Q N 2.693 122.302 119.800 -0.318 0.000 2.392 144 Q HA 0.194 4.534 4.340 -0.001 0.000 0.219 144 Q C -0.333 175.269 176.000 -0.663 0.000 0.895 144 Q CA 0.515 56.069 55.803 -0.415 0.000 0.929 144 Q CB 0.607 29.101 28.738 -0.406 0.000 1.077 144 Q HN 0.897 nan 8.270 nan 0.000 0.532 145 H N -1.067 117.874 119.070 -0.215 0.000 2.934 145 H HA 0.304 4.860 4.556 -0.001 0.000 0.340 145 H C -1.597 173.606 175.328 -0.208 0.000 1.008 145 H CA -0.519 55.462 56.048 -0.111 0.000 1.317 145 H CB 0.980 30.711 29.762 -0.051 0.000 1.670 145 H HN -0.068 nan 8.280 nan 0.000 0.516 146 F N 2.659 122.715 119.950 0.177 0.000 2.385 146 F HA 0.425 4.952 4.527 -0.001 0.000 0.360 146 F C -0.213 175.806 175.800 0.365 0.000 1.122 146 F CA -0.835 57.350 58.000 0.308 0.000 1.090 146 F CB 1.202 40.375 39.000 0.288 0.000 1.150 146 F HN 0.199 nan 8.300 nan 0.000 0.472 147 V N 4.740 124.907 119.914 0.421 0.000 2.409 147 V HA 0.352 4.471 4.120 -0.001 0.000 0.291 147 V C -0.288 175.689 176.094 -0.195 0.000 1.020 147 V CA -0.964 61.432 62.300 0.160 0.000 0.848 147 V CB 1.543 33.429 31.823 0.106 0.000 0.990 147 V HN 0.443 nan 8.190 nan 0.000 0.430 148 V N 6.053 125.770 119.914 -0.329 0.000 2.455 148 V HA 0.240 4.359 4.120 -0.001 0.000 0.273 148 V C 0.692 176.589 176.094 -0.327 0.000 1.045 148 V CA -0.222 61.672 62.300 -0.677 0.000 0.976 148 V CB 1.174 32.709 31.823 -0.480 0.000 0.993 148 V HN 0.851 nan 8.190 nan 0.000 0.475 149 M N 5.117 124.484 119.600 -0.388 0.000 3.254 149 M HA 0.247 4.727 4.480 -0.001 0.000 0.257 149 M C -0.420 175.655 176.300 -0.374 0.000 1.490 149 M CA 0.687 55.771 55.300 -0.358 0.000 1.620 149 M CB -0.667 31.689 32.600 -0.408 0.000 1.157 149 M HN 0.764 nan 8.290 nan 0.000 0.541 150 D N -0.637 119.640 120.400 -0.205 0.000 2.738 150 D HA 0.145 4.784 4.640 -0.001 0.000 0.308 150 D C 0.075 176.365 176.300 -0.016 0.000 1.311 150 D CA -0.438 53.482 54.000 -0.134 0.000 0.799 150 D CB 1.049 41.774 40.800 -0.126 0.000 1.332 150 D HN 0.308 nan 8.370 nan 0.000 0.441 151 E N -0.259 119.947 120.200 0.009 0.000 2.152 151 E HA 0.012 4.362 4.350 -0.001 0.000 0.192 151 E C 0.170 176.789 176.600 0.031 0.000 0.983 151 E CA 0.689 57.115 56.400 0.044 0.000 0.818 151 E CB 0.336 30.065 29.700 0.048 0.000 0.758 151 E HN 0.048 nan 8.360 nan 0.000 0.467 152 K N 0.048 120.454 120.400 0.011 0.000 2.328 152 K HA 0.685 5.005 4.320 -0.001 0.000 0.246 152 K C -0.927 175.669 176.600 -0.006 0.000 0.955 152 K CA -0.686 55.607 56.287 0.011 0.000 0.817 152 K CB 2.307 34.814 32.500 0.011 0.000 1.208 152 K HN -0.031 nan 8.250 nan 0.000 0.432 153 A N 2.506 125.336 122.820 0.017 0.000 2.486 153 A HA 0.675 4.995 4.320 -0.001 0.000 0.300 153 A C -2.636 174.987 177.584 0.065 0.000 1.048 153 A CA -1.252 50.802 52.037 0.028 0.000 0.696 153 A CB 1.033 20.082 19.000 0.082 0.000 1.278 153 A HN 0.415 nan 8.150 nan 0.000 0.405 154 P HA 0.261 nan 4.420 nan 0.000 0.275 154 P C -0.343 177.080 177.300 0.205 0.000 1.266 154 P CA -0.511 62.646 63.100 0.095 0.000 0.793 154 P CB 0.395 32.115 31.700 0.034 0.000 1.074 155 E N 0.089 120.386 120.200 0.162 0.000 2.452 155 E HA 0.149 4.499 4.350 -0.001 0.000 0.261 155 E C 1.182 177.892 176.600 0.185 0.000 0.987 155 E CA 1.475 57.960 56.400 0.142 0.000 0.926 155 E CB -0.067 29.684 29.700 0.085 0.000 0.934 155 E HN 0.809 nan 8.360 nan 0.000 0.452 156 G N 2.910 111.758 108.800 0.081 0.000 2.159 156 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.256 156 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.256 156 G C -0.358 174.403 174.900 -0.232 0.000 0.977 156 G CA 0.365 45.419 45.100 -0.077 0.000 0.652 156 G HN 0.462 nan 8.290 nan 0.000 0.531 157 Y N -1.551 118.805 120.300 0.094 0.000 2.536 157 Y HA 0.729 5.279 4.550 -0.001 0.000 0.347 157 Y C 0.039 176.007 175.900 0.114 0.000 1.000 157 Y CA -1.238 56.950 58.100 0.146 0.000 1.051 157 Y CB 1.901 40.453 38.460 0.153 0.000 1.259 157 Y HN 0.193 nan 8.280 nan 0.000 0.468 158 L N 2.329 123.722 121.223 0.283 0.000 2.317 158 L HA 0.863 5.202 4.340 -0.001 0.000 0.281 158 L C -0.372 176.567 176.870 0.115 0.000 1.024 158 L CA -0.570 54.365 54.840 0.158 0.000 0.810 158 L CB 1.137 43.268 42.059 0.120 0.000 1.240 158 L HN 0.723 nan 8.230 nan 0.000 0.427 159 A N 3.811 126.673 122.820 0.071 0.000 2.327 159 A HA 0.213 4.533 4.320 -0.001 0.000 0.283 159 A C 0.395 178.014 177.584 0.057 0.000 1.127 159 A CA -0.195 51.872 52.037 0.050 0.000 0.810 159 A CB -0.054 18.972 19.000 0.044 0.000 1.066 159 A HN 0.895 nan 8.150 nan 0.000 0.492 160 Y N 1.151 121.412 120.300 -0.065 0.000 2.114 160 Y HA -0.242 4.307 4.550 -0.001 0.000 0.282 160 Y C 2.012 177.896 175.900 -0.026 0.000 1.165 160 Y CA 2.697 60.761 58.100 -0.061 0.000 1.148 160 Y CB 0.190 38.586 38.460 -0.106 0.000 0.972 160 Y HN 0.753 nan 8.280 nan 0.000 0.504 161 E N 0.306 120.604 120.200 0.164 0.000 2.204 161 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 161 E C 1.934 178.539 176.600 0.008 0.000 0.989 161 E CA 1.479 57.939 56.400 0.100 0.000 0.824 161 E CB -0.224 29.557 29.700 0.135 0.000 0.756 161 E HN 0.716 nan 8.360 nan 0.000 0.477 162 E N 0.537 120.738 120.200 0.001 0.000 2.216 162 E HA 0.004 4.354 4.350 -0.001 0.000 0.192 162 E C 1.937 178.503 176.600 -0.058 0.000 0.988 162 E CA 0.675 57.066 56.400 -0.015 0.000 0.834 162 E CB 0.044 29.748 29.700 0.006 0.000 0.772 162 E HN 0.170 nan 8.360 nan 0.000 0.479 163 A N 1.254 124.012 122.820 -0.104 0.000 2.014 163 A HA -0.018 4.302 4.320 -0.001 0.000 0.218 163 A C 1.151 178.623 177.584 -0.186 0.000 1.163 163 A CA 0.243 52.189 52.037 -0.152 0.000 0.652 163 A CB -0.437 18.451 19.000 -0.186 0.000 0.808 163 A HN 0.096 nan 8.150 nan 0.000 0.449 164 L N 0.319 121.410 121.223 -0.220 0.000 2.540 164 L HA 0.264 4.603 4.340 -0.001 0.000 0.276 164 L C 1.155 177.965 176.870 -0.100 0.000 1.212 164 L CA -0.071 54.661 54.840 -0.179 0.000 0.893 164 L CB 0.166 42.141 42.059 -0.141 0.000 1.138 164 L HN 0.352 nan 8.230 nan 0.000 0.491 165 G N 3.015 111.763 108.800 -0.086 0.000 3.008 165 G HA2 0.327 4.286 3.960 -0.001 0.000 0.181 165 G HA3 0.327 4.286 3.960 -0.001 0.000 0.181 165 G C -0.580 174.295 174.900 -0.042 0.000 1.309 165 G CA -0.564 44.499 45.100 -0.061 0.000 1.009 165 G HN 0.552 nan 8.290 nan 0.000 0.584 166 E N 0.769 120.946 120.200 -0.037 0.000 2.366 166 E HA 0.110 4.459 4.350 -0.001 0.000 0.266 166 E C -0.327 176.253 176.600 -0.033 0.000 1.051 166 E CA 0.038 56.421 56.400 -0.028 0.000 0.884 166 E CB 1.239 30.924 29.700 -0.025 0.000 1.006 166 E HN 0.350 nan 8.360 nan 0.000 0.417 167 E N 0.503 120.688 120.200 -0.024 0.000 2.465 167 E HA 0.152 4.501 4.350 -0.001 0.000 0.260 167 E C -0.806 175.765 176.600 -0.049 0.000 0.980 167 E CA -0.003 56.377 56.400 -0.033 0.000 0.927 167 E CB 0.730 30.419 29.700 -0.019 0.000 0.934 167 E HN 0.399 nan 8.360 nan 0.000 0.459 168 A N 4.251 127.024 122.820 -0.078 0.000 2.401 168 A HA 0.323 4.642 4.320 -0.001 0.000 0.310 168 A C -0.747 176.751 177.584 -0.143 0.000 1.075 168 A CA -0.938 51.040 52.037 -0.098 0.000 0.746 168 A CB 1.188 20.123 19.000 -0.108 0.000 1.277 168 A HN 0.521 nan 8.150 nan 0.000 0.425 169 D N 2.631 122.956 120.400 -0.125 0.000 2.341 169 D HA 0.359 4.999 4.640 -0.001 0.000 0.245 169 D C -2.083 174.055 176.300 -0.271 0.000 1.106 169 D CA -0.441 53.469 54.000 -0.149 0.000 0.905 169 D CB 0.689 41.444 40.800 -0.076 0.000 1.202 169 D HN 0.334 nan 8.370 nan 0.000 0.426 170 P HA 0.025 nan 4.420 nan 0.000 0.269 170 P C -0.356 176.772 177.300 -0.286 0.000 1.209 170 P CA -0.289 62.469 63.100 -0.570 0.000 0.776 170 P CB 0.697 31.852 31.700 -0.908 0.000 0.876 171 V N 4.036 123.809 119.914 -0.235 0.000 2.498 171 V HA 0.244 4.363 4.120 -0.001 0.000 0.279 171 V C 0.971 176.986 176.094 -0.131 0.000 1.048 171 V CA -0.329 61.885 62.300 -0.144 0.000 0.967 171 V CB 0.555 32.312 31.823 -0.109 0.000 0.988 171 V HN 0.480 nan 8.190 nan 0.000 0.473 172 R N 3.291 123.729 120.500 -0.102 0.000 2.254 172 R HA 0.627 4.967 4.340 -0.001 0.000 0.318 172 R C -0.684 175.557 176.300 -0.098 0.000 1.031 172 R CA -0.183 55.855 56.100 -0.102 0.000 0.905 172 R CB 1.308 31.567 30.300 -0.069 0.000 1.050 172 R HN 0.716 nan 8.270 nan 0.000 0.456 173 V N 1.661 121.495 119.914 -0.133 0.000 3.001 173 V HA 0.744 4.864 4.120 -0.001 0.000 0.314 173 V C -2.426 173.612 176.094 -0.094 0.000 1.099 173 V CA -2.895 59.347 62.300 -0.097 0.000 0.989 173 V CB 1.788 33.566 31.823 -0.075 0.000 1.040 173 V HN 0.638 nan 8.190 nan 0.000 0.434 174 P HA 0.138 nan 4.420 nan 0.000 0.265 174 P C 0.792 178.079 177.300 -0.021 0.000 1.193 174 P CA 0.173 63.255 63.100 -0.031 0.000 0.765 174 P CB 0.402 32.093 31.700 -0.015 0.000 0.823 175 E N 3.253 123.446 120.200 -0.013 0.000 2.209 175 E HA -0.233 4.116 4.350 -0.001 0.000 0.196 175 E C 1.104 177.744 176.600 0.068 0.000 0.993 175 E CA 1.032 57.446 56.400 0.023 0.000 0.819 175 E CB -0.298 29.417 29.700 0.026 0.000 0.745 175 E HN 0.382 nan 8.360 nan 0.000 0.477 176 R N 0.769 121.293 120.500 0.040 0.000 2.307 176 R HA 0.196 4.536 4.340 -0.001 0.000 0.199 176 R C 0.614 176.935 176.300 0.034 0.000 1.000 176 R CA 0.266 56.387 56.100 0.035 0.000 1.023 176 R CB 0.156 30.465 30.300 0.015 0.000 0.908 176 R HN 0.153 nan 8.270 nan 0.000 0.473 177 A N 1.216 124.068 122.820 0.053 0.000 2.386 177 A HA 0.505 4.824 4.320 -0.001 0.000 0.248 177 A C 0.162 177.784 177.584 0.065 0.000 1.082 177 A CA -0.331 51.736 52.037 0.051 0.000 0.789 177 A CB 0.331 19.362 19.000 0.052 0.000 1.025 177 A HN 0.316 nan 8.150 nan 0.000 0.490 178 A N -0.126 122.695 122.820 0.002 0.000 2.540 178 A HA 0.317 4.636 4.320 -0.001 0.000 0.239 178 A C 1.176 178.721 177.584 -0.065 0.000 1.061 178 A CA 0.338 52.343 52.037 -0.052 0.000 0.758 178 A CB -0.600 18.341 19.000 -0.098 0.000 0.991 178 A HN 2.037 nan 8.150 nan 0.000 0.502 179 C N 0.548 119.740 119.300 -0.180 0.000 3.294 179 C HA 0.678 5.138 4.460 -0.001 0.000 0.441 179 C C 0.910 175.792 174.990 -0.180 0.000 1.364 179 C CA 0.305 59.113 59.018 -0.351 0.000 2.059 179 C CB -0.460 26.736 27.740 -0.906 0.000 2.925 179 C HN 1.492 nan 8.230 nan 0.000 0.633 180 G N 1.076 109.830 108.800 -0.078 0.000 2.646 180 G HA2 0.669 4.629 3.960 -0.001 0.000 0.291 180 G HA3 0.669 4.629 3.960 -0.001 0.000 0.291 180 G C -1.387 173.549 174.900 0.060 0.000 1.445 180 G CA -0.127 44.990 45.100 0.028 0.000 0.814 180 G HN 0.920 nan 8.290 nan 0.000 0.495 181 M N -0.320 119.320 119.600 0.067 0.000 2.520 181 M HA 0.879 5.359 4.480 -0.001 0.000 0.280 181 M C -1.503 174.872 176.300 0.125 0.000 1.232 181 M CA -1.031 54.204 55.300 -0.109 0.000 0.892 181 M CB 2.321 34.751 32.600 -0.284 0.000 1.728 181 M HN 1.690 nan 8.290 nan 0.000 0.475 182 A N 1.779 124.612 122.820 0.021 0.000 2.547 182 A HA 0.782 5.101 4.320 -0.001 0.000 0.297 182 A C -2.391 175.272 177.584 0.131 0.000 1.056 182 A CA -0.501 51.703 52.037 0.278 0.000 0.688 182 A CB 1.390 20.627 19.000 0.395 0.000 1.282 182 A HN 0.803 nan 8.150 nan 0.000 0.400 183 Y N 0.365 120.799 120.300 0.222 0.000 2.361 183 Y HA 0.633 5.182 4.550 -0.001 0.000 0.332 183 Y C 1.082 177.097 175.900 0.192 0.000 1.101 183 Y CA 0.028 58.236 58.100 0.180 0.000 1.137 183 Y CB 2.158 40.730 38.460 0.187 0.000 1.207 183 Y HN 0.642 nan 8.280 nan 0.000 0.463 184 T N 0.406 115.122 114.554 0.270 0.000 2.824 184 T HA 0.298 4.648 4.350 -0.001 0.000 0.280 184 T C 0.674 175.460 174.700 0.143 0.000 0.995 184 T CA -0.421 61.811 62.100 0.220 0.000 1.009 184 T CB 0.595 69.568 68.868 0.176 0.000 0.955 184 T HN 0.787 nan 8.240 nan 0.000 0.452 185 T N 1.175 115.824 114.554 0.159 0.000 3.086 185 T HA 0.252 4.601 4.350 -0.001 0.000 0.250 185 T C 1.445 176.029 174.700 -0.193 0.000 1.074 185 T CA 0.064 62.212 62.100 0.081 0.000 0.988 185 T CB 0.050 69.058 68.868 0.234 0.000 0.988 185 T HN 0.673 nan 8.240 nan 0.000 0.530 186 G N 2.454 110.896 108.800 -0.597 0.000 3.455 186 G HA2 0.443 4.403 3.960 -0.001 0.000 0.250 186 G HA3 0.443 4.403 3.960 -0.001 0.000 0.250 186 G C 0.003 174.503 174.900 -0.667 0.000 1.071 186 G CA -0.262 44.005 45.100 -1.388 0.000 1.812 186 G HN 0.592 nan 8.290 nan 0.000 0.643 187 T N -2.780 111.542 114.554 -0.387 0.000 2.731 187 T HA 0.609 4.958 4.350 -0.001 0.000 0.300 187 T C -0.166 174.431 174.700 -0.172 0.000 1.283 187 T CA -0.697 61.256 62.100 -0.244 0.000 1.005 187 T CB 1.469 70.214 68.868 -0.204 0.000 1.420 187 T HN 0.212 nan 8.240 nan 0.000 0.503 188 T N -0.993 113.481 114.554 -0.133 0.000 2.882 188 T HA 0.658 5.008 4.350 -0.001 0.000 0.287 188 T C 1.072 175.710 174.700 -0.102 0.000 0.992 188 T CA 0.247 62.290 62.100 -0.095 0.000 1.076 188 T CB 0.543 69.367 68.868 -0.074 0.000 0.961 188 T HN 1.985 nan 8.240 nan 0.000 0.490 189 G N 2.389 111.135 108.800 -0.090 0.000 2.498 189 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.245 189 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.245 189 G C -0.442 174.367 174.900 -0.151 0.000 1.204 189 G CA -0.315 44.718 45.100 -0.111 0.000 0.933 189 G HN 0.985 nan 8.290 nan 0.000 0.574 190 L N 2.423 123.531 121.223 -0.193 0.000 2.417 190 L HA 0.396 4.736 4.340 -0.001 0.000 0.268 190 L C -1.720 175.066 176.870 -0.141 0.000 1.158 190 L CA -1.602 53.070 54.840 -0.279 0.000 0.819 190 L CB 0.700 42.525 42.059 -0.390 0.000 1.112 190 L HN 0.323 nan 8.230 nan 0.000 0.458 191 P HA 0.021 nan 4.420 nan 0.000 0.266 191 P C -1.212 176.200 177.300 0.186 0.000 1.195 191 P CA 0.066 63.236 63.100 0.118 0.000 0.768 191 P CB 0.372 32.215 31.700 0.240 0.000 0.838 192 K N 1.927 122.367 120.400 0.067 0.000 2.182 192 K HA 0.546 4.866 4.320 -0.001 0.000 0.262 192 K C 0.433 176.974 176.600 -0.098 0.000 0.957 192 K CA -0.578 55.646 56.287 -0.105 0.000 0.842 192 K CB 1.788 33.937 32.500 -0.584 0.000 1.099 192 K HN 0.535 nan 8.250 nan 0.000 0.438 193 G N 0.916 109.518 108.800 -0.330 0.000 2.356 193 G HA2 0.470 4.430 3.960 -0.001 0.000 0.298 193 G HA3 0.470 4.430 3.960 -0.001 0.000 0.298 193 G C -0.746 173.998 174.900 -0.261 0.000 1.145 193 G CA -0.456 44.153 45.100 -0.819 0.000 0.850 193 G HN 0.245 nan 8.290 nan 0.000 0.487 194 V N 2.559 122.249 119.914 -0.373 0.000 2.448 194 V HA 0.373 4.493 4.120 -0.001 0.000 0.295 194 V C -0.210 175.480 176.094 -0.674 0.000 1.025 194 V CA -0.696 61.347 62.300 -0.428 0.000 0.859 194 V CB 1.758 33.331 31.823 -0.417 0.000 0.988 194 V HN 0.541 nan 8.190 nan 0.000 0.431 195 V N 5.658 125.236 119.914 -0.561 0.000 2.328 195 V HA 0.441 4.560 4.120 -0.001 0.000 0.278 195 V C -0.624 175.192 176.094 -0.463 0.000 1.021 195 V CA -0.780 61.211 62.300 -0.515 0.000 0.838 195 V CB 0.682 32.300 31.823 -0.342 0.000 0.999 195 V HN 0.718 nan 8.190 nan 0.000 0.447 196 Y N 2.213 122.433 120.300 -0.134 0.000 2.316 196 Y HA 0.576 5.126 4.550 -0.001 0.000 0.324 196 Y C 1.043 176.859 175.900 -0.139 0.000 1.267 196 Y CA -0.574 57.450 58.100 -0.127 0.000 1.311 196 Y CB 1.035 39.411 38.460 -0.140 0.000 1.267 196 Y HN 0.688 nan 8.280 nan 0.000 0.516 197 S N -0.398 115.336 115.700 0.057 0.000 2.621 197 S HA 0.328 4.797 4.470 -0.001 0.000 0.302 197 S C 0.508 175.079 174.600 -0.048 0.000 1.093 197 S CA -0.794 57.405 58.200 -0.002 0.000 1.017 197 S CB 1.012 64.233 63.200 0.036 0.000 1.077 197 S HN 0.753 nan 8.310 nan 0.000 0.517 198 H N 1.186 120.225 119.070 -0.052 0.000 2.319 198 H HA -0.122 4.434 4.556 -0.001 0.000 0.297 198 H C 2.351 177.631 175.328 -0.080 0.000 1.097 198 H CA 2.320 58.306 56.048 -0.104 0.000 1.285 198 H CB -0.115 29.595 29.762 -0.085 0.000 1.368 198 H HN 0.727 nan 8.280 nan 0.000 0.495 199 R N 0.996 121.563 120.500 0.111 0.000 2.096 199 R HA -0.158 4.182 4.340 -0.001 0.000 0.240 199 R C 2.455 178.828 176.300 0.121 0.000 1.139 199 R CA 1.577 57.734 56.100 0.095 0.000 0.952 199 R CB -0.258 30.094 30.300 0.086 0.000 0.854 199 R HN 0.255 nan 8.270 nan 0.000 0.436 200 A N 1.253 124.146 122.820 0.123 0.000 1.858 200 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 200 A C 2.282 179.941 177.584 0.124 0.000 1.190 200 A CA 1.391 53.553 52.037 0.209 0.000 0.617 200 A CB -0.569 18.552 19.000 0.201 0.000 0.827 200 A HN 0.377 nan 8.150 nan 0.000 0.443 201 L N -0.526 120.669 121.223 -0.047 0.000 2.217 201 L HA -0.095 4.245 4.340 -0.001 0.000 0.211 201 L C 2.433 179.261 176.870 -0.070 0.000 1.107 201 L CA 0.614 55.352 54.840 -0.170 0.000 0.783 201 L CB -0.504 41.334 42.059 -0.369 0.000 0.919 201 L HN 0.243 nan 8.230 nan 0.000 0.442 202 V N 0.202 120.089 119.914 -0.045 0.000 2.323 202 V HA -0.245 3.875 4.120 -0.001 0.000 0.244 202 V C 2.402 178.611 176.094 0.191 0.000 1.041 202 V CA 1.415 63.765 62.300 0.084 0.000 1.025 202 V CB -0.215 31.602 31.823 -0.009 0.000 0.656 202 V HN 0.311 nan 8.190 nan 0.000 0.451 203 L N -0.462 120.865 121.223 0.173 0.000 2.046 203 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 203 L C 2.654 179.526 176.870 0.003 0.000 1.077 203 L CA 1.903 56.884 54.840 0.235 0.000 0.747 203 L CB -0.838 41.489 42.059 0.446 0.000 0.896 203 L HN 0.486 nan 8.230 nan 0.000 0.432 204 H N -0.280 118.537 119.070 -0.421 0.000 2.353 204 H HA -0.131 4.425 4.556 -0.001 0.000 0.300 204 H C 2.245 177.262 175.328 -0.519 0.000 1.090 204 H CA 1.856 57.233 56.048 -1.117 0.000 1.327 204 H CB 0.319 29.444 29.762 -1.062 0.000 1.383 204 H HN 0.241 nan 8.280 nan 0.000 0.508 205 S N 0.578 116.234 115.700 -0.072 0.000 2.382 205 S HA -0.076 4.394 4.470 -0.001 0.000 0.228 205 S C 2.520 177.062 174.600 -0.096 0.000 1.027 205 S CA 0.932 59.139 58.200 0.011 0.000 0.991 205 S CB -0.117 63.246 63.200 0.273 0.000 0.823 205 S HN 0.298 nan 8.310 nan 0.000 0.469 206 L N 1.038 122.229 121.223 -0.053 0.000 2.005 206 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 206 L C 2.797 179.617 176.870 -0.083 0.000 1.072 206 L CA 1.312 56.122 54.840 -0.050 0.000 0.744 206 L CB -0.658 41.421 42.059 0.034 0.000 0.895 206 L HN 0.311 nan 8.230 nan 0.000 0.433 207 A N -0.298 122.469 122.820 -0.090 0.000 2.015 207 A HA -0.061 4.258 4.320 -0.001 0.000 0.219 207 A C 2.306 179.824 177.584 -0.110 0.000 1.163 207 A CA 1.546 53.563 52.037 -0.033 0.000 0.646 207 A CB -0.574 18.523 19.000 0.162 0.000 0.806 207 A HN 0.410 nan 8.150 nan 0.000 0.448 208 A N -1.201 121.465 122.820 -0.258 0.000 2.218 208 A HA 0.250 4.569 4.320 -0.001 0.000 0.209 208 A C 1.920 179.409 177.584 -0.158 0.000 1.168 208 A CA 1.130 53.028 52.037 -0.232 0.000 0.804 208 A CB -0.220 18.537 19.000 -0.405 0.000 0.834 208 A HN 0.341 nan 8.150 nan 0.000 0.482 209 S N -0.223 115.382 115.700 -0.158 0.000 2.556 209 S HA 0.286 4.756 4.470 -0.001 0.000 0.216 209 S C 0.597 175.112 174.600 -0.141 0.000 0.970 209 S CA -0.360 57.743 58.200 -0.162 0.000 0.912 209 S CB -0.276 62.819 63.200 -0.174 0.000 0.790 209 S HN 0.487 nan 8.310 nan 0.000 0.504 210 L N 0.744 121.898 121.223 -0.115 0.000 2.479 210 L HA 0.115 4.454 4.340 -0.001 0.000 0.270 210 L C 1.774 178.566 176.870 -0.130 0.000 1.236 210 L CA -0.370 54.405 54.840 -0.109 0.000 0.823 210 L CB 0.161 42.166 42.059 -0.089 0.000 1.098 210 L HN -0.055 nan 8.230 nan 0.000 0.500 211 V N 0.248 120.081 119.914 -0.135 0.000 2.324 211 V HA -0.290 3.829 4.120 -0.001 0.000 0.250 211 V C 1.590 177.558 176.094 -0.210 0.000 1.060 211 V CA 2.011 64.224 62.300 -0.146 0.000 1.042 211 V CB -0.516 31.230 31.823 -0.128 0.000 0.650 211 V HN 0.816 nan 8.190 nan 0.000 0.450 212 D N -0.175 120.023 120.400 -0.336 0.000 2.363 212 D HA 0.041 4.681 4.640 -0.001 0.000 0.220 212 D C 1.253 177.365 176.300 -0.314 0.000 0.994 212 D CA 1.064 54.679 54.000 -0.641 0.000 0.890 212 D CB 0.178 40.269 40.800 -1.181 0.000 0.906 212 D HN 0.537 nan 8.370 nan 0.000 0.530 213 G N 0.552 109.264 108.800 -0.148 0.000 3.434 213 G HA2 0.064 4.024 3.960 -0.001 0.000 0.192 213 G HA3 0.064 4.024 3.960 -0.001 0.000 0.192 213 G C 1.273 176.172 174.900 -0.002 0.000 1.704 213 G CA 0.563 45.642 45.100 -0.035 0.000 0.936 213 G HN 0.171 nan 8.290 nan 0.000 0.623 214 T N -1.930 112.609 114.554 -0.025 0.000 3.023 214 T HA 0.316 4.665 4.350 -0.001 0.000 0.266 214 T C 1.580 176.190 174.700 -0.149 0.000 1.093 214 T CA 1.415 63.492 62.100 -0.037 0.000 1.129 214 T CB -0.254 68.488 68.868 -0.210 0.000 0.899 214 T HN 1.959 nan 8.240 nan 0.000 0.491 215 A N 0.789 123.519 122.820 -0.149 0.000 2.739 215 A HA -0.097 4.223 4.320 -0.001 0.000 0.296 215 A C 0.302 177.764 177.584 -0.204 0.000 1.488 215 A CA 0.315 52.264 52.037 -0.146 0.000 0.746 215 A CB -2.610 16.337 19.000 -0.088 0.000 1.047 215 A HN 0.672 nan 8.150 nan 0.000 0.477 216 L N 0.387 121.445 121.223 -0.275 0.000 2.410 216 L HA 0.426 4.765 4.340 -0.001 0.000 0.273 216 L C 0.902 177.640 176.870 -0.219 0.000 1.152 216 L CA 0.825 55.479 54.840 -0.311 0.000 0.855 216 L CB 1.385 43.237 42.059 -0.344 0.000 1.129 216 L HN 0.735 nan 8.230 nan 0.000 0.463 217 S N 1.565 117.147 115.700 -0.197 0.000 2.632 217 S HA 0.176 4.645 4.470 -0.001 0.000 0.289 217 S C 0.641 175.122 174.600 -0.199 0.000 1.115 217 S CA -0.667 57.431 58.200 -0.171 0.000 0.889 217 S CB 1.849 64.978 63.200 -0.119 0.000 1.116 217 S HN 0.713 nan 8.310 nan 0.000 0.486 218 E N 1.763 121.822 120.200 -0.235 0.000 2.110 218 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 218 E C 1.581 178.080 176.600 -0.169 0.000 0.988 218 E CA 1.648 57.861 56.400 -0.310 0.000 0.804 218 E CB -0.148 29.333 29.700 -0.363 0.000 0.745 218 E HN 0.749 nan 8.360 nan 0.000 0.458 219 K N 0.356 120.694 120.400 -0.104 0.000 2.365 219 K HA -0.033 4.286 4.320 -0.001 0.000 0.199 219 K C 0.390 176.969 176.600 -0.035 0.000 1.045 219 K CA 0.462 56.718 56.287 -0.052 0.000 0.962 219 K CB 0.059 32.539 32.500 -0.034 0.000 0.759 219 K HN -0.106 nan 8.250 nan 0.000 0.469 220 D N 1.551 121.920 120.400 -0.051 0.000 2.382 220 D HA 0.077 4.717 4.640 -0.001 0.000 0.240 220 D C -0.678 175.630 176.300 0.013 0.000 1.146 220 D CA 0.012 54.004 54.000 -0.014 0.000 0.897 220 D CB 1.710 42.480 40.800 -0.049 0.000 1.197 220 D HN -0.136 nan 8.370 nan 0.000 0.432 221 V N 2.624 122.575 119.914 0.063 0.000 2.376 221 V HA 0.187 4.306 4.120 -0.001 0.000 0.287 221 V C 0.099 176.276 176.094 0.138 0.000 1.015 221 V CA -0.754 61.592 62.300 0.077 0.000 0.834 221 V CB 1.751 33.617 31.823 0.072 0.000 1.001 221 V HN 0.211 nan 8.190 nan 0.000 0.428 222 V N 6.535 126.528 119.914 0.133 0.000 2.394 222 V HA 0.475 4.594 4.120 -0.001 0.000 0.282 222 V C -0.217 175.972 176.094 0.159 0.000 1.031 222 V CA -0.476 61.955 62.300 0.218 0.000 0.881 222 V CB 1.791 33.724 31.823 0.184 0.000 0.982 222 V HN 0.709 nan 8.190 nan 0.000 0.451 223 L N 8.329 129.662 121.223 0.184 0.000 2.324 223 L HA 0.548 4.887 4.340 -0.001 0.000 0.274 223 L C -2.469 174.450 176.870 0.082 0.000 1.012 223 L CA -1.746 53.144 54.840 0.082 0.000 0.859 223 L CB 2.311 44.389 42.059 0.031 0.000 1.224 223 L HN 0.453 nan 8.230 nan 0.000 0.429 224 P HA 0.101 nan 4.420 nan 0.000 0.277 224 P C 0.630 177.842 177.300 -0.146 0.000 1.354 224 P CA -0.203 62.867 63.100 -0.050 0.000 0.891 224 P CB 1.379 33.010 31.700 -0.115 0.000 1.058 225 V N 3.942 123.774 119.914 -0.137 0.000 2.591 225 V HA -0.087 4.032 4.120 -0.001 0.000 0.249 225 V C 1.463 177.311 176.094 -0.411 0.000 1.053 225 V CA 0.756 62.899 62.300 -0.262 0.000 1.068 225 V CB -0.017 31.608 31.823 -0.329 0.000 0.689 225 V HN 0.340 nan 8.190 nan 0.000 0.462 226 V N 3.306 122.909 119.914 -0.519 0.000 2.584 226 V HA 0.085 4.205 4.120 -0.001 0.000 0.303 226 V C -2.058 173.612 176.094 -0.707 0.000 1.035 226 V CA -1.343 60.478 62.300 -0.798 0.000 1.172 226 V CB 0.839 31.790 31.823 -1.453 0.000 0.896 226 V HN 0.264 nan 8.190 nan 0.000 0.486 227 P HA 0.154 nan 4.420 nan 0.000 0.269 227 P C 0.509 177.281 177.300 -0.880 0.000 1.209 227 P CA 0.125 62.599 63.100 -1.043 0.000 0.776 227 P CB 0.419 30.916 31.700 -2.004 0.000 0.876 228 M N 1.949 121.141 119.600 -0.680 0.000 2.686 228 M HA -0.002 4.477 4.480 -0.001 0.000 0.246 228 M C 0.376 176.585 176.300 -0.152 0.000 1.096 228 M CA 1.250 56.277 55.300 -0.455 0.000 1.076 228 M CB -0.551 31.576 32.600 -0.789 0.000 1.504 228 M HN 0.378 nan 8.290 nan 0.000 0.524 229 F N -3.477 116.416 119.950 -0.096 0.000 2.639 229 F HA 0.315 4.842 4.527 -0.001 0.000 0.302 229 F C 0.040 175.956 175.800 0.193 0.000 1.097 229 F CA -0.686 57.336 58.000 0.036 0.000 1.294 229 F CB -0.855 38.130 39.000 -0.025 0.000 1.027 229 F HN -0.004 nan 8.300 nan 0.000 0.550 230 H N 1.460 120.439 119.070 -0.152 0.000 2.691 230 H HA 0.409 4.965 4.556 -0.001 0.000 0.281 230 H C 0.141 175.514 175.328 0.074 0.000 1.121 230 H CA -0.855 55.182 56.048 -0.018 0.000 1.254 230 H CB 1.208 30.848 29.762 -0.203 0.000 1.390 230 H HN 0.056 nan 8.280 nan 0.000 0.491 231 V N 2.524 122.607 119.914 0.282 0.000 5.578 231 V HA -0.382 3.737 4.120 -0.001 0.000 0.275 231 V C 0.292 176.442 176.094 0.092 0.000 0.642 231 V CA 1.357 63.783 62.300 0.211 0.000 0.613 231 V CB -2.448 29.529 31.823 0.256 0.000 0.301 231 V HN 1.153 nan 8.190 nan 0.000 0.782 232 N N -1.612 117.132 118.700 0.074 0.000 2.738 232 N HA -0.099 4.641 4.740 -0.001 0.000 0.249 232 N C 0.631 176.183 175.510 0.070 0.000 1.047 232 N CA 0.968 54.056 53.050 0.063 0.000 0.707 232 N CB -0.931 37.521 38.487 -0.059 0.000 0.937 232 N HN 2.342 nan 8.380 nan 0.000 0.545 233 A N -0.887 121.890 122.820 -0.071 0.000 2.745 233 A HA -0.214 4.106 4.320 -0.001 0.000 0.296 233 A C 0.813 178.364 177.584 -0.055 0.000 1.500 233 A CA 1.376 53.259 52.037 -0.256 0.000 0.766 233 A CB -1.970 16.849 19.000 -0.302 0.000 1.030 233 A HN 0.876 nan 8.150 nan 0.000 0.489 234 W N -4.167 117.150 121.300 0.028 0.000 4.551 234 W HA -0.270 4.389 4.660 -0.001 0.000 0.343 234 W C 1.221 177.795 176.519 0.092 0.000 1.269 234 W CA 0.082 57.461 57.345 0.056 0.000 0.799 234 W CB -2.463 27.059 29.460 0.102 0.000 2.352 234 W HN 1.570 nan 8.180 nan 0.000 1.462 235 C N -1.606 117.834 119.300 0.233 0.000 4.400 235 C HA -0.331 4.128 4.460 -0.001 0.000 0.275 235 C C 2.556 177.697 174.990 0.252 0.000 1.391 235 C CA 0.859 60.032 59.018 0.259 0.000 1.816 235 C CB -1.796 26.104 27.740 0.267 0.000 1.404 235 C HN 0.595 nan 8.230 nan 0.000 0.754 236 L N 0.453 121.793 121.223 0.194 0.000 2.012 236 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 236 L C -0.082 176.839 176.870 0.085 0.000 1.073 236 L CA 2.660 57.593 54.840 0.155 0.000 0.748 236 L CB -1.130 41.038 42.059 0.182 0.000 0.891 236 L HN 0.305 nan 8.230 nan 0.000 0.431 237 P HA -0.181 nan 4.420 nan 0.000 0.218 237 P C 1.060 178.423 177.300 0.106 0.000 1.149 237 P CA 1.478 64.534 63.100 -0.073 0.000 0.817 237 P CB -0.039 31.417 31.700 -0.407 0.000 0.785 238 Y N -0.369 120.071 120.300 0.233 0.000 2.184 238 Y HA -0.106 4.443 4.550 -0.001 0.000 0.290 238 Y C 2.615 178.691 175.900 0.294 0.000 1.129 238 Y CA 0.715 59.041 58.100 0.377 0.000 1.144 238 Y CB -0.765 37.886 38.460 0.318 0.000 0.995 238 Y HN -0.098 nan 8.280 nan 0.000 0.513 239 A N -0.031 122.958 122.820 0.282 0.000 1.968 239 A HA -0.062 4.258 4.320 -0.001 0.000 0.217 239 A C 2.293 179.836 177.584 -0.068 0.000 1.169 239 A CA 1.376 53.426 52.037 0.023 0.000 0.638 239 A CB -0.957 18.044 19.000 0.001 0.000 0.812 239 A HN 0.410 nan 8.150 nan 0.000 0.446 240 A N -0.988 121.842 122.820 0.016 0.000 1.968 240 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 240 A C 2.237 179.829 177.584 0.013 0.000 1.169 240 A CA 2.070 54.106 52.037 -0.002 0.000 0.638 240 A CB -0.980 18.058 19.000 0.063 0.000 0.812 240 A HN 0.397 nan 8.150 nan 0.000 0.446 241 T N 0.148 114.765 114.554 0.104 0.000 2.857 241 T HA -0.094 4.256 4.350 -0.001 0.000 0.266 241 T C 1.836 176.390 174.700 -0.243 0.000 1.048 241 T CA 1.357 63.444 62.100 -0.021 0.000 1.139 241 T CB -0.338 68.716 68.868 0.310 0.000 0.874 241 T HN 0.376 nan 8.240 nan 0.000 0.455 242 L N 2.345 123.394 121.223 -0.290 0.000 2.042 242 L HA -0.072 4.267 4.340 -0.001 0.000 0.210 242 L C 2.369 179.017 176.870 -0.370 0.000 1.076 242 L CA 1.667 56.168 54.840 -0.566 0.000 0.749 242 L CB -0.540 40.908 42.059 -1.019 0.000 0.893 242 L HN 0.266 nan 8.230 nan 0.000 0.432 243 V N -3.062 116.640 119.914 -0.354 0.000 3.406 243 V HA 0.442 4.562 4.120 -0.001 0.000 0.263 243 V C 1.583 177.250 176.094 -0.711 0.000 1.172 243 V CA 0.400 62.467 62.300 -0.389 0.000 1.140 243 V CB -0.868 30.770 31.823 -0.308 0.000 0.784 243 V HN 0.684 nan 8.190 nan 0.000 0.467 244 G N 0.172 108.567 108.800 -0.675 0.000 2.149 244 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.235 244 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.235 244 G C 0.272 174.923 174.900 -0.415 0.000 1.018 244 G CA 0.243 44.809 45.100 -0.891 0.000 0.728 244 G HN 1.569 nan 8.290 nan 0.000 0.508 245 A N -0.204 122.497 122.820 -0.197 0.000 2.386 245 A HA 0.626 4.946 4.320 -0.001 0.000 0.248 245 A C 0.819 178.464 177.584 0.102 0.000 1.082 245 A CA 0.509 52.509 52.037 -0.062 0.000 0.789 245 A CB 0.448 19.404 19.000 -0.074 0.000 1.025 245 A HN 0.720 nan 8.150 nan 0.000 0.490 246 K N 1.361 121.788 120.400 0.045 0.000 2.401 246 K HA 0.126 4.445 4.320 -0.001 0.000 0.278 246 K C -0.412 176.197 176.600 0.015 0.000 1.018 246 K CA 0.336 56.633 56.287 0.017 0.000 0.981 246 K CB 0.224 32.725 32.500 0.002 0.000 0.933 246 K HN 0.769 nan 8.250 nan 0.000 0.477 247 Q N 2.521 122.300 119.800 -0.036 0.000 2.316 247 Q HA 0.354 4.694 4.340 -0.001 0.000 0.264 247 Q C -1.315 174.668 176.000 -0.028 0.000 0.987 247 Q CA -0.988 54.806 55.803 -0.014 0.000 0.852 247 Q CB 2.437 31.163 28.738 -0.021 0.000 1.287 247 Q HN 0.336 nan 8.270 nan 0.000 0.448 248 V N 4.585 124.493 119.914 -0.011 0.000 2.350 248 V HA 0.371 4.491 4.120 -0.001 0.000 0.285 248 V C -0.552 175.515 176.094 -0.044 0.000 1.014 248 V CA -0.609 61.674 62.300 -0.028 0.000 0.831 248 V CB 1.077 32.880 31.823 -0.033 0.000 1.000 248 V HN 0.620 nan 8.190 nan 0.000 0.433 249 L N 7.727 128.931 121.223 -0.032 0.000 2.276 249 L HA 0.430 4.770 4.340 -0.001 0.000 0.286 249 L C -1.401 175.446 176.870 -0.038 0.000 1.024 249 L CA -1.472 53.343 54.840 -0.043 0.000 0.826 249 L CB 2.080 44.129 42.059 -0.017 0.000 1.211 249 L HN 0.389 nan 8.230 nan 0.000 0.422 250 P HA 0.015 nan 4.420 nan 0.000 0.231 250 P C 0.859 178.111 177.300 -0.079 0.000 1.168 250 P CA 0.854 63.888 63.100 -0.110 0.000 0.779 250 P CB 0.602 32.198 31.700 -0.173 0.000 0.844 251 G N 1.407 110.192 108.800 -0.025 0.000 2.645 251 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.239 251 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.239 251 G C -1.814 172.996 174.900 -0.150 0.000 1.331 251 G CA 0.172 45.278 45.100 0.010 0.000 0.890 251 G HN 0.068 nan 8.290 nan 0.000 0.572 252 P HA -0.007 nan 4.420 nan 0.000 0.223 252 P C 0.774 177.807 177.300 -0.446 0.000 1.151 252 P CA 0.820 63.400 63.100 -0.867 0.000 0.787 252 P CB 0.085 31.124 31.700 -1.103 0.000 0.788 253 R N 0.881 121.214 120.500 -0.278 0.000 2.309 253 R HA 0.247 4.587 4.340 -0.001 0.000 0.331 253 R C 0.752 176.934 176.300 -0.198 0.000 1.116 253 R CA -0.052 55.923 56.100 -0.207 0.000 0.970 253 R CB -0.131 30.072 30.300 -0.162 0.000 1.024 253 R HN 0.250 nan 8.270 nan 0.000 0.472 254 L N 2.501 123.608 121.223 -0.194 0.000 2.910 254 L HA 0.092 4.432 4.340 -0.001 0.000 0.252 254 L C 0.466 177.235 176.870 -0.169 0.000 1.195 254 L CA -0.295 54.428 54.840 -0.193 0.000 1.003 254 L CB -0.097 41.834 42.059 -0.212 0.000 1.328 254 L HN 0.610 nan 8.230 nan 0.000 0.540 255 D N 0.074 120.379 120.400 -0.160 0.000 2.423 255 D HA 0.015 4.654 4.640 -0.001 0.000 0.238 255 D C -1.976 174.204 176.300 -0.199 0.000 1.142 255 D CA -1.291 52.612 54.000 -0.161 0.000 0.884 255 D CB 1.460 42.169 40.800 -0.152 0.000 1.199 255 D HN -0.119 nan 8.370 nan 0.000 0.438 256 P HA -0.184 nan 4.420 nan 0.000 0.216 256 P C 1.361 178.352 177.300 -0.515 0.000 1.153 256 P CA 2.241 65.145 63.100 -0.326 0.000 0.858 256 P CB -0.010 31.427 31.700 -0.438 0.000 0.789 257 A N -0.861 121.561 122.820 -0.664 0.000 1.902 257 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 257 A C 2.377 179.823 177.584 -0.229 0.000 1.181 257 A CA 2.111 53.860 52.037 -0.479 0.000 0.623 257 A CB -1.495 17.309 19.000 -0.325 0.000 0.818 257 A HN 0.126 nan 8.150 nan 0.000 0.443 258 S N -0.248 115.330 115.700 -0.204 0.000 2.383 258 S HA -0.048 4.421 4.470 -0.001 0.000 0.227 258 S C 1.810 176.304 174.600 -0.176 0.000 1.026 258 S CA 1.341 59.444 58.200 -0.161 0.000 0.981 258 S CB -0.373 62.732 63.200 -0.158 0.000 0.818 258 S HN 0.512 nan 8.310 nan 0.000 0.472 259 L N 0.708 121.818 121.223 -0.188 0.000 2.044 259 L HA -0.026 4.313 4.340 -0.001 0.000 0.205 259 L C 2.340 179.101 176.870 -0.181 0.000 1.075 259 L CA 0.742 55.417 54.840 -0.275 0.000 0.747 259 L CB -0.734 41.233 42.059 -0.153 0.000 0.903 259 L HN 0.170 nan 8.230 nan 0.000 0.435 260 V N 0.164 120.125 119.914 0.078 0.000 2.324 260 V HA -0.343 3.776 4.120 -0.001 0.000 0.250 260 V C 2.490 178.640 176.094 0.092 0.000 1.060 260 V CA 2.034 64.454 62.300 0.201 0.000 1.042 260 V CB -0.478 31.375 31.823 0.050 0.000 0.650 260 V HN 0.487 nan 8.190 nan 0.000 0.450 261 E N -0.238 119.955 120.200 -0.011 0.000 2.058 261 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 261 E C 2.189 178.778 176.600 -0.018 0.000 0.997 261 E CA 1.536 57.926 56.400 -0.015 0.000 0.801 261 E CB -0.121 29.550 29.700 -0.048 0.000 0.746 261 E HN 0.566 nan 8.360 nan 0.000 0.450 262 L N -0.262 120.905 121.223 -0.094 0.000 2.109 262 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 262 L C 2.249 179.089 176.870 -0.050 0.000 1.086 262 L CA 0.410 55.178 54.840 -0.120 0.000 0.760 262 L CB -0.309 41.611 42.059 -0.231 0.000 0.910 262 L HN 0.140 nan 8.230 nan 0.000 0.437 263 F N 0.790 120.753 119.950 0.020 0.000 2.069 263 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 263 F C 2.418 178.244 175.800 0.044 0.000 1.113 263 F CA 1.447 59.469 58.000 0.037 0.000 1.214 263 F CB -0.596 38.435 39.000 0.051 0.000 0.978 263 F HN 0.143 nan 8.300 nan 0.000 0.474 264 D N -0.801 119.752 120.400 0.255 0.000 2.137 264 D HA -0.036 4.603 4.640 -0.001 0.000 0.202 264 D C 2.530 178.897 176.300 0.112 0.000 0.970 264 D CA 1.377 55.483 54.000 0.177 0.000 0.837 264 D CB -0.981 39.932 40.800 0.189 0.000 0.981 264 D HN 0.324 nan 8.370 nan 0.000 0.475 265 G N 0.769 109.618 108.800 0.081 0.000 2.422 265 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.218 265 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.218 265 G C 1.404 176.325 174.900 0.034 0.000 1.146 265 G CA 0.537 45.664 45.100 0.045 0.000 0.769 265 G HN 0.136 nan 8.290 nan 0.000 0.547 266 E N -0.176 120.049 120.200 0.041 0.000 2.498 266 E HA 0.192 4.542 4.350 -0.001 0.000 0.203 266 E C 1.417 178.049 176.600 0.052 0.000 1.013 266 E CA 0.416 56.834 56.400 0.030 0.000 0.927 266 E CB 0.404 30.110 29.700 0.010 0.000 1.012 266 E HN 0.368 nan 8.360 nan 0.000 0.482 267 G N 1.977 110.825 108.800 0.080 0.000 2.289 267 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.280 267 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.280 267 G C 0.364 175.327 174.900 0.105 0.000 1.089 267 G CA 0.305 45.456 45.100 0.084 0.000 0.939 267 G HN 0.127 nan 8.290 nan 0.000 0.499 268 V N 0.565 120.579 119.914 0.166 0.000 2.599 268 V HA 0.349 4.468 4.120 -0.001 0.000 0.300 268 V C 1.790 177.977 176.094 0.156 0.000 1.034 268 V CA 1.303 63.729 62.300 0.210 0.000 1.115 268 V CB 1.011 33.080 31.823 0.410 0.000 0.934 268 V HN 0.888 nan 8.190 nan 0.000 0.485 269 T N 1.275 115.913 114.554 0.140 0.000 2.999 269 T HA 0.244 4.594 4.350 -0.001 0.000 0.247 269 T C -0.013 174.772 174.700 0.143 0.000 1.012 269 T CA 0.079 62.242 62.100 0.105 0.000 1.048 269 T CB 0.190 69.112 68.868 0.091 0.000 1.020 269 T HN 0.355 nan 8.240 nan 0.000 0.478 270 F N 1.456 121.424 119.950 0.030 0.000 2.556 270 F HA 0.695 5.222 4.527 -0.001 0.000 0.314 270 F C -0.819 175.031 175.800 0.083 0.000 1.106 270 F CA -0.448 57.564 58.000 0.020 0.000 0.911 270 F CB 2.417 41.426 39.000 0.014 0.000 1.190 270 F HN 0.057 nan 8.300 nan 0.000 0.448 271 T N 3.679 117.790 114.554 -0.739 0.000 2.843 271 T HA 0.862 5.212 4.350 -0.001 0.000 0.302 271 T C -1.937 172.456 174.700 -0.511 0.000 1.232 271 T CA -0.319 61.570 62.100 -0.352 0.000 1.009 271 T CB 1.439 70.396 68.868 0.148 0.000 1.254 271 T HN 1.170 nan 8.240 nan 0.000 0.504 272 A N 1.099 123.958 122.820 0.065 0.000 2.488 272 A HA 0.932 5.251 4.320 -0.001 0.000 0.298 272 A C -0.135 177.695 177.584 0.411 0.000 1.044 272 A CA -0.014 52.214 52.037 0.319 0.000 0.693 272 A CB 1.436 20.660 19.000 0.375 0.000 1.272 272 A HN 1.476 nan 8.150 nan 0.000 0.402 273 G N -0.413 108.753 108.800 0.609 0.000 2.488 273 G HA2 0.703 4.663 3.960 -0.001 0.000 0.301 273 G HA3 0.703 4.663 3.960 -0.001 0.000 0.301 273 G C -0.524 174.472 174.900 0.160 0.000 1.339 273 G CA 0.205 45.274 45.100 -0.051 0.000 0.803 273 G HN 1.986 nan 8.290 nan 0.000 0.482 274 V N -1.390 118.442 119.914 -0.138 0.000 3.003 274 V HA 0.502 4.621 4.120 -0.001 0.000 0.305 274 V C -1.367 174.672 176.094 -0.092 0.000 1.078 274 V CA -1.185 61.146 62.300 0.053 0.000 1.083 274 V CB 1.388 33.239 31.823 0.047 0.000 1.039 274 V HN 0.475 nan 8.190 nan 0.000 0.481 275 P HA -0.091 nan 4.420 nan 0.000 0.216 275 P C 1.754 179.098 177.300 0.073 0.000 1.150 275 P CA 1.885 65.091 63.100 0.178 0.000 0.843 275 P CB -0.089 31.714 31.700 0.173 0.000 0.787 276 T N -0.617 113.926 114.554 -0.018 0.000 2.684 276 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 276 T C 1.811 176.426 174.700 -0.141 0.000 1.036 276 T CA 1.505 63.548 62.100 -0.096 0.000 1.148 276 T CB -1.050 67.758 68.868 -0.101 0.000 0.863 276 T HN -0.093 nan 8.240 nan 0.000 0.436 277 V N -0.267 119.500 119.914 -0.245 0.000 2.427 277 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 277 V C 2.053 178.077 176.094 -0.116 0.000 1.051 277 V CA 1.338 63.446 62.300 -0.319 0.000 1.048 277 V CB -0.795 30.660 31.823 -0.613 0.000 0.666 277 V HN 0.649 nan 8.190 nan 0.000 0.456 278 W N -0.499 120.850 121.300 0.083 0.000 2.436 278 W HA 0.008 4.668 4.660 -0.001 0.000 0.284 278 W C 2.219 178.891 176.519 0.254 0.000 1.225 278 W CA -0.067 57.388 57.345 0.182 0.000 1.271 278 W CB -0.249 29.281 29.460 0.117 0.000 1.114 278 W HN 0.192 nan 8.180 nan 0.000 0.559 279 L N 0.097 121.518 121.223 0.331 0.000 2.109 279 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 279 L C 2.701 179.642 176.870 0.118 0.000 1.086 279 L CA 1.261 56.216 54.840 0.191 0.000 0.760 279 L CB -1.014 41.098 42.059 0.087 0.000 0.910 279 L HN -0.037 nan 8.230 nan 0.000 0.437 280 A N -0.136 122.729 122.820 0.074 0.000 1.930 280 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 280 A C 2.201 179.861 177.584 0.127 0.000 1.175 280 A CA 1.536 53.600 52.037 0.044 0.000 0.627 280 A CB -0.607 18.372 19.000 -0.035 0.000 0.815 280 A HN 0.325 nan 8.150 nan 0.000 0.443 281 L N -0.235 121.121 121.223 0.222 0.000 2.027 281 L HA -0.016 4.323 4.340 -0.001 0.000 0.206 281 L C 2.630 179.647 176.870 0.244 0.000 1.074 281 L CA 2.249 57.275 54.840 0.309 0.000 0.745 281 L CB -0.716 41.665 42.059 0.537 0.000 0.898 281 L HN 0.306 nan 8.230 nan 0.000 0.433 282 A N -1.094 121.816 122.820 0.150 0.000 1.933 282 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 282 A C 2.178 179.716 177.584 -0.077 0.000 1.175 282 A CA 1.887 53.811 52.037 -0.189 0.000 0.628 282 A CB -0.936 17.822 19.000 -0.403 0.000 0.814 282 A HN 0.612 nan 8.150 nan 0.000 0.444 283 D N -1.829 118.582 120.400 0.018 0.000 2.097 283 D HA -0.185 4.454 4.640 -0.001 0.000 0.195 283 D C 1.702 178.036 176.300 0.058 0.000 0.989 283 D CA 1.657 55.672 54.000 0.025 0.000 0.827 283 D CB -0.118 40.708 40.800 0.043 0.000 0.966 283 D HN 0.584 nan 8.370 nan 0.000 0.456 284 Y N 1.300 121.594 120.300 -0.010 0.000 2.242 284 Y HA -0.102 4.448 4.550 -0.001 0.000 0.291 284 Y C 2.280 178.179 175.900 -0.001 0.000 1.137 284 Y CA 1.111 59.211 58.100 -0.001 0.000 1.181 284 Y CB -0.263 38.205 38.460 0.013 0.000 0.989 284 Y HN -0.078 nan 8.280 nan 0.000 0.527 285 L N -0.214 121.054 121.223 0.075 0.000 2.141 285 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 285 L C 2.203 179.029 176.870 -0.074 0.000 1.094 285 L CA 1.554 56.397 54.840 0.005 0.000 0.763 285 L CB -0.412 41.670 42.059 0.038 0.000 0.908 285 L HN 0.222 nan 8.230 nan 0.000 0.437 286 E N -0.493 119.653 120.200 -0.090 0.000 2.072 286 E HA -0.133 4.217 4.350 -0.001 0.000 0.190 286 E C 2.309 178.851 176.600 -0.096 0.000 0.982 286 E CA 1.255 57.599 56.400 -0.093 0.000 0.803 286 E CB 0.091 29.737 29.700 -0.090 0.000 0.755 286 E HN 0.283 nan 8.360 nan 0.000 0.453 287 S N -0.066 115.563 115.700 -0.119 0.000 2.406 287 S HA -0.106 4.363 4.470 -0.001 0.000 0.228 287 S C 2.081 176.584 174.600 -0.163 0.000 1.020 287 S CA 1.528 59.653 58.200 -0.125 0.000 0.965 287 S CB -0.162 62.969 63.200 -0.115 0.000 0.798 287 S HN 0.467 nan 8.310 nan 0.000 0.488 288 T N -1.635 112.771 114.554 -0.247 0.000 3.081 288 T HA 0.375 4.724 4.350 -0.001 0.000 0.250 288 T C 1.493 176.135 174.700 -0.097 0.000 1.100 288 T CA 0.676 62.646 62.100 -0.217 0.000 1.038 288 T CB 0.003 68.640 68.868 -0.385 0.000 0.962 288 T HN 0.479 nan 8.240 nan 0.000 0.516 289 G N 1.567 110.319 108.800 -0.081 0.000 2.179 289 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.257 289 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.257 289 G C -0.048 174.836 174.900 -0.026 0.000 1.010 289 G CA 0.342 45.411 45.100 -0.052 0.000 0.736 289 G HN 0.850 nan 8.290 nan 0.000 0.513 290 H N 0.032 119.049 119.070 -0.088 0.000 2.582 290 H HA 0.658 5.213 4.556 -0.001 0.000 0.345 290 H C 0.324 175.637 175.328 -0.026 0.000 1.104 290 H CA -0.162 55.860 56.048 -0.043 0.000 1.390 290 H CB 0.940 30.690 29.762 -0.020 0.000 1.461 290 H HN 0.211 nan 8.280 nan 0.000 0.551 291 R N 3.810 124.211 120.500 -0.166 0.000 2.534 291 R HA 0.319 4.658 4.340 -0.001 0.000 0.301 291 R C -0.581 175.760 176.300 0.067 0.000 0.961 291 R CA -0.676 55.417 56.100 -0.011 0.000 0.871 291 R CB 1.053 31.305 30.300 -0.081 0.000 1.170 291 R HN 0.527 nan 8.270 nan 0.000 0.446 292 L N 5.322 126.636 121.223 0.152 0.000 2.462 292 L HA 0.114 4.454 4.340 -0.001 0.000 0.272 292 L C 1.412 178.313 176.870 0.052 0.000 1.166 292 L CA 0.180 55.099 54.840 0.132 0.000 0.880 292 L CB 0.643 42.690 42.059 -0.020 0.000 1.142 292 L HN 0.708 nan 8.230 nan 0.000 0.473 293 K N 0.409 120.854 120.400 0.076 0.000 2.366 293 K HA -0.031 4.288 4.320 -0.001 0.000 0.198 293 K C 1.074 177.689 176.600 0.026 0.000 1.044 293 K CA 1.268 57.576 56.287 0.034 0.000 0.973 293 K CB 0.002 32.526 32.500 0.040 0.000 0.767 293 K HN 0.775 nan 8.250 nan 0.000 0.475 294 T N -1.931 112.641 114.554 0.031 0.000 2.966 294 T HA 0.157 4.507 4.350 -0.001 0.000 0.254 294 T C 0.324 175.024 174.700 -0.001 0.000 0.961 294 T CA -0.577 61.538 62.100 0.025 0.000 0.915 294 T CB -0.068 68.831 68.868 0.052 0.000 1.186 294 T HN 0.042 nan 8.240 nan 0.000 0.505 295 L N 2.957 124.151 121.223 -0.049 0.000 2.500 295 L HA 0.407 4.747 4.340 -0.001 0.000 0.272 295 L C 1.097 177.902 176.870 -0.108 0.000 1.149 295 L CA 0.200 54.963 54.840 -0.128 0.000 0.897 295 L CB 0.324 42.173 42.059 -0.350 0.000 1.178 295 L HN 0.116 nan 8.230 nan 0.000 0.473 296 R N 3.474 123.928 120.500 -0.076 0.000 2.257 296 R HA 0.307 4.647 4.340 -0.001 0.000 0.195 296 R C -0.134 176.120 176.300 -0.078 0.000 0.921 296 R CA -0.049 56.018 56.100 -0.054 0.000 1.069 296 R CB 0.449 30.743 30.300 -0.011 0.000 1.115 296 R HN 0.499 nan 8.270 nan 0.000 0.571 297 R N 1.013 121.460 120.500 -0.088 0.000 2.534 297 R HA 0.456 4.796 4.340 -0.001 0.000 0.301 297 R C -1.446 174.650 176.300 -0.339 0.000 0.961 297 R CA -0.622 55.415 56.100 -0.106 0.000 0.871 297 R CB 2.429 32.796 30.300 0.112 0.000 1.170 297 R HN -0.056 nan 8.270 nan 0.000 0.446 298 L N 2.641 123.609 121.223 -0.425 0.000 2.409 298 L HA 0.520 4.860 4.340 -0.001 0.000 0.272 298 L C -1.309 175.277 176.870 -0.474 0.000 0.980 298 L CA -0.921 53.516 54.840 -0.672 0.000 0.826 298 L CB 2.153 43.609 42.059 -1.004 0.000 1.268 298 L HN 0.344 nan 8.230 nan 0.000 0.407 299 V N 5.254 124.927 119.914 -0.402 0.000 2.483 299 V HA 0.527 4.646 4.120 -0.001 0.000 0.295 299 V C -0.541 175.640 176.094 0.146 0.000 1.035 299 V CA -0.538 61.720 62.300 -0.070 0.000 0.896 299 V CB 1.975 33.853 31.823 0.092 0.000 0.986 299 V HN 0.515 nan 8.190 nan 0.000 0.447 300 V N 4.708 124.725 119.914 0.172 0.000 2.540 300 V HA 1.025 5.145 4.120 -0.001 0.000 0.302 300 V C 0.098 176.313 176.094 0.203 0.000 1.035 300 V CA 0.574 63.081 62.300 0.345 0.000 0.873 300 V CB 1.438 33.438 31.823 0.296 0.000 0.992 300 V HN 1.039 nan 8.190 nan 0.000 0.428 301 G N 2.954 111.889 108.800 0.226 0.000 2.721 301 G HA2 0.652 4.611 3.960 -0.001 0.000 0.296 301 G HA3 0.652 4.611 3.960 -0.001 0.000 0.296 301 G C 0.497 175.477 174.900 0.133 0.000 1.383 301 G CA -0.115 44.932 45.100 -0.088 0.000 0.788 301 G HN 1.851 nan 8.290 nan 0.000 0.500 302 G N -1.199 107.623 108.800 0.037 0.000 2.383 302 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.229 302 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.229 302 G C 0.617 175.586 174.900 0.116 0.000 1.089 302 G CA 1.333 46.534 45.100 0.168 0.000 0.640 302 G HN 2.001 nan 8.290 nan 0.000 0.510 303 S N -0.797 114.983 115.700 0.134 0.000 2.596 303 S HA 0.741 5.210 4.470 -0.001 0.000 0.270 303 S C -0.055 174.629 174.600 0.140 0.000 1.155 303 S CA 0.678 58.952 58.200 0.123 0.000 0.827 303 S CB 1.264 64.519 63.200 0.092 0.000 1.130 303 S HN 1.907 nan 8.310 nan 0.000 0.467 304 A N 1.856 124.755 122.820 0.131 0.000 2.515 304 A HA 0.562 4.882 4.320 -0.001 0.000 0.263 304 A C 0.574 178.231 177.584 0.122 0.000 1.096 304 A CA 0.362 52.470 52.037 0.119 0.000 0.769 304 A CB -0.714 18.348 19.000 0.103 0.000 1.040 304 A HN 1.270 nan 8.150 nan 0.000 0.505 305 A N 5.598 128.492 122.820 0.124 0.000 2.451 305 A HA 0.560 4.880 4.320 -0.001 0.000 0.266 305 A C -2.131 175.518 177.584 0.109 0.000 1.119 305 A CA -1.196 50.921 52.037 0.132 0.000 0.786 305 A CB -0.445 18.636 19.000 0.134 0.000 1.061 305 A HN 0.664 nan 8.150 nan 0.000 0.503 306 P HA 0.151 nan 4.420 nan 0.000 0.269 306 P C 0.923 178.272 177.300 0.081 0.000 1.215 306 P CA -0.375 62.780 63.100 0.091 0.000 0.780 306 P CB 0.552 32.309 31.700 0.094 0.000 0.898 307 R N 1.507 122.043 120.500 0.061 0.000 2.105 307 R HA -0.164 4.175 4.340 -0.001 0.000 0.239 307 R C 2.102 178.432 176.300 0.051 0.000 1.135 307 R CA 2.283 58.411 56.100 0.047 0.000 0.967 307 R CB -0.526 29.793 30.300 0.032 0.000 0.861 307 R HN 0.664 nan 8.270 nan 0.000 0.442 308 S N 0.504 116.235 115.700 0.052 0.000 2.382 308 S HA -0.178 4.291 4.470 -0.001 0.000 0.228 308 S C 1.934 176.575 174.600 0.068 0.000 1.027 308 S CA 1.123 59.350 58.200 0.046 0.000 0.991 308 S CB -0.474 62.749 63.200 0.038 0.000 0.823 308 S HN 0.327 nan 8.310 nan 0.000 0.469 309 L N 1.490 122.777 121.223 0.106 0.000 2.083 309 L HA 0.120 4.459 4.340 -0.001 0.000 0.209 309 L C 2.158 179.160 176.870 0.219 0.000 1.083 309 L CA 1.445 56.392 54.840 0.179 0.000 0.752 309 L CB -0.596 41.590 42.059 0.211 0.000 0.899 309 L HN 0.368 nan 8.230 nan 0.000 0.433 310 I N -0.622 120.032 120.570 0.140 0.000 2.193 310 I HA -0.233 3.937 4.170 -0.001 0.000 0.240 310 I C 2.598 178.777 176.117 0.104 0.000 1.084 310 I CA 1.160 62.528 61.300 0.114 0.000 1.365 310 I CB -0.695 37.344 38.000 0.065 0.000 1.064 310 I HN 0.306 nan 8.210 nan 0.000 0.410 311 A N 0.633 123.492 122.820 0.065 0.000 1.940 311 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 311 A C 2.401 179.999 177.584 0.023 0.000 1.176 311 A CA 1.802 53.861 52.037 0.036 0.000 0.631 311 A CB -0.716 18.295 19.000 0.019 0.000 0.814 311 A HN 0.327 nan 8.150 nan 0.000 0.446 312 R N -1.784 118.726 120.500 0.016 0.000 2.096 312 R HA -0.191 4.148 4.340 -0.001 0.000 0.240 312 R C 1.702 177.916 176.300 -0.143 0.000 1.139 312 R CA 2.249 58.304 56.100 -0.075 0.000 0.952 312 R CB -0.371 29.872 30.300 -0.094 0.000 0.854 312 R HN 0.514 nan 8.270 nan 0.000 0.436 313 F N 0.611 120.535 119.950 -0.044 0.000 2.335 313 F HA 0.007 4.533 4.527 -0.001 0.000 0.296 313 F C 2.342 178.099 175.800 -0.072 0.000 1.091 313 F CA 0.675 58.630 58.000 -0.076 0.000 1.399 313 F CB 0.094 39.018 39.000 -0.126 0.000 1.067 313 F HN -0.009 nan 8.300 nan 0.000 0.520 314 E N 0.158 120.427 120.200 0.116 0.000 2.153 314 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 314 E C 2.200 178.812 176.600 0.020 0.000 0.988 314 E CA 0.683 57.114 56.400 0.052 0.000 0.811 314 E CB -0.440 29.281 29.700 0.035 0.000 0.746 314 E HN 0.399 nan 8.360 nan 0.000 0.466 315 R N 0.001 120.501 120.500 0.001 0.000 2.152 315 R HA 0.022 4.361 4.340 -0.001 0.000 0.232 315 R C 1.842 178.124 176.300 -0.030 0.000 1.117 315 R CA 1.010 57.096 56.100 -0.023 0.000 0.981 315 R CB -0.011 30.263 30.300 -0.044 0.000 0.870 315 R HN 0.147 nan 8.270 nan 0.000 0.451 316 M N -1.004 118.578 119.600 -0.029 0.000 2.419 316 M HA 0.196 4.676 4.480 -0.001 0.000 0.252 316 M C 0.557 176.856 176.300 -0.003 0.000 1.143 316 M CA 0.305 55.588 55.300 -0.029 0.000 0.985 316 M CB 1.492 34.057 32.600 -0.058 0.000 1.489 316 M HN 0.313 nan 8.290 nan 0.000 0.484 317 G N 1.283 110.086 108.800 0.005 0.000 2.160 317 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.244 317 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.244 317 G C -0.246 174.656 174.900 0.003 0.000 1.022 317 G CA -0.241 44.860 45.100 0.002 0.000 0.741 317 G HN 0.352 nan 8.290 nan 0.000 0.508 318 V N 0.599 120.530 119.914 0.028 0.000 2.384 318 V HA 0.442 4.561 4.120 -0.001 0.000 0.287 318 V C 0.569 176.645 176.094 -0.031 0.000 1.020 318 V CA -0.859 61.435 62.300 -0.009 0.000 0.850 318 V CB 1.843 33.686 31.823 0.034 0.000 0.987 318 V HN 0.434 nan 8.190 nan 0.000 0.436 319 E N 4.102 124.264 120.200 -0.063 0.000 2.257 319 E HA 0.328 4.677 4.350 -0.001 0.000 0.278 319 E C -1.168 175.365 176.600 -0.112 0.000 1.049 319 E CA -0.303 56.067 56.400 -0.050 0.000 0.876 319 E CB 1.278 30.968 29.700 -0.018 0.000 1.035 319 E HN 0.507 nan 8.360 nan 0.000 0.419 320 V N 6.282 126.144 119.914 -0.087 0.000 2.370 320 V HA 0.399 4.519 4.120 -0.001 0.000 0.283 320 V C 0.088 176.159 176.094 -0.038 0.000 1.023 320 V CA -0.566 61.655 62.300 -0.131 0.000 0.857 320 V CB 1.292 33.045 31.823 -0.117 0.000 0.985 320 V HN 0.648 nan 8.190 nan 0.000 0.443 321 R N 3.303 123.786 120.500 -0.029 0.000 2.439 321 R HA 0.441 4.781 4.340 -0.001 0.000 0.310 321 R C -0.567 175.771 176.300 0.064 0.000 0.955 321 R CA -0.614 55.518 56.100 0.054 0.000 0.853 321 R CB 2.359 32.718 30.300 0.099 0.000 1.171 321 R HN 0.771 nan 8.270 nan 0.000 0.449 322 Q N 1.145 120.998 119.800 0.087 0.000 2.299 322 Q HA 0.474 4.814 4.340 -0.001 0.000 0.246 322 Q C -0.545 175.516 176.000 0.103 0.000 0.935 322 Q CA -0.266 55.594 55.803 0.094 0.000 0.887 322 Q CB 1.461 30.259 28.738 0.099 0.000 1.223 322 Q HN 0.796 nan 8.270 nan 0.000 0.439 323 G N 1.801 110.641 108.800 0.067 0.000 2.612 323 G HA2 0.481 4.441 3.960 -0.001 0.000 0.298 323 G HA3 0.481 4.441 3.960 -0.001 0.000 0.298 323 G C -2.335 172.594 174.900 0.049 0.000 1.336 323 G CA -0.461 44.666 45.100 0.046 0.000 0.953 323 G HN 0.598 nan 8.290 nan 0.000 0.482 324 Y N 0.175 120.443 120.300 -0.053 0.000 2.492 324 Y HA 0.753 5.302 4.550 -0.001 0.000 0.346 324 Y C 0.022 175.919 175.900 -0.004 0.000 0.997 324 Y CA -0.083 57.999 58.100 -0.030 0.000 1.025 324 Y CB 2.210 40.695 38.460 0.042 0.000 1.263 324 Y HN 1.181 nan 8.280 nan 0.000 0.454 325 G N 3.471 111.788 108.800 -0.806 0.000 2.349 325 G HA2 0.505 4.464 3.960 -0.001 0.000 0.294 325 G HA3 0.505 4.464 3.960 -0.001 0.000 0.294 325 G C -2.731 171.937 174.900 -0.386 0.000 1.380 325 G CA -0.994 43.721 45.100 -0.641 0.000 0.811 325 G HN 0.698 nan 8.290 nan 0.000 0.519 326 L N -0.829 120.307 121.223 -0.146 0.000 2.327 326 L HA 0.578 4.917 4.340 -0.001 0.000 0.258 326 L C 1.728 178.659 176.870 0.102 0.000 1.024 326 L CA -0.565 54.298 54.840 0.040 0.000 0.825 326 L CB 1.795 43.927 42.059 0.122 0.000 1.386 326 L HN 0.628 nan 8.230 nan 0.000 0.417 327 T N -1.196 113.467 114.554 0.182 0.000 2.778 327 T HA -0.174 4.176 4.350 -0.001 0.000 0.269 327 T C 1.193 176.006 174.700 0.188 0.000 1.050 327 T CA 1.853 64.090 62.100 0.229 0.000 1.137 327 T CB -0.114 68.903 68.868 0.249 0.000 0.860 327 T HN 0.549 nan 8.240 nan 0.000 0.468 328 E N 0.677 120.911 120.200 0.057 0.000 2.478 328 E HA -0.015 4.335 4.350 -0.001 0.000 0.198 328 E C 1.943 178.424 176.600 -0.198 0.000 1.046 328 E CA 1.005 57.292 56.400 -0.188 0.000 0.870 328 E CB 0.003 29.411 29.700 -0.486 0.000 0.818 328 E HN 0.667 nan 8.360 nan 0.000 0.527 329 T N -4.784 109.766 114.554 -0.006 0.000 3.111 329 T HA 0.310 4.659 4.350 -0.001 0.000 0.284 329 T C 0.703 175.522 174.700 0.198 0.000 0.983 329 T CA 0.105 62.262 62.100 0.094 0.000 0.900 329 T CB 0.398 69.319 68.868 0.089 0.000 1.132 329 T HN -0.042 nan 8.240 nan 0.000 0.531 330 S N 0.975 116.708 115.700 0.056 0.000 2.541 330 S HA -0.072 4.397 4.470 -0.001 0.000 0.262 330 S C -1.645 172.562 174.600 -0.655 0.000 1.321 330 S CA 0.880 58.874 58.200 -0.343 0.000 1.243 330 S CB -1.847 61.119 63.200 -0.391 0.000 1.531 330 S HN 0.597 nan 8.310 nan 0.000 0.656 331 P HA 0.358 nan 4.420 nan 0.000 0.269 331 P C 0.118 177.479 177.300 0.102 0.000 1.231 331 P CA 0.160 63.248 63.100 -0.019 0.000 0.865 331 P CB 0.055 31.737 31.700 -0.030 0.000 1.243 332 V N 2.643 122.748 119.914 0.318 0.000 2.493 332 V HA 0.023 4.143 4.120 -0.001 0.000 0.292 332 V C 1.896 178.173 176.094 0.305 0.000 1.016 332 V CA 0.666 63.076 62.300 0.184 0.000 1.097 332 V CB 0.743 32.583 31.823 0.028 0.000 0.947 332 V HN 0.038 nan 8.190 nan 0.000 0.479 333 V N 2.606 122.669 119.914 0.250 0.000 3.480 333 V HA 0.419 4.538 4.120 -0.001 0.000 0.263 333 V C 0.210 176.480 176.094 0.293 0.000 1.442 333 V CA 0.028 62.531 62.300 0.338 0.000 1.053 333 V CB 0.798 32.802 31.823 0.301 0.000 0.846 333 V HN 0.451 nan 8.190 nan 0.000 0.440 334 V N 1.538 121.622 119.914 0.285 0.000 2.638 334 V HA 0.603 4.722 4.120 -0.001 0.000 0.306 334 V C -1.083 175.136 176.094 0.209 0.000 1.052 334 V CA -0.261 62.201 62.300 0.270 0.000 0.885 334 V CB 1.806 33.839 31.823 0.350 0.000 0.999 334 V HN 0.555 nan 8.190 nan 0.000 0.424 335 Q N 2.658 122.572 119.800 0.189 0.000 2.372 335 Q HA 0.446 4.785 4.340 -0.001 0.000 0.273 335 Q C -0.911 175.223 176.000 0.223 0.000 1.078 335 Q CA -0.649 55.266 55.803 0.186 0.000 0.806 335 Q CB 2.932 31.773 28.738 0.171 0.000 1.332 335 Q HN 0.768 nan 8.270 nan 0.000 0.435 336 N N 1.815 120.643 118.700 0.213 0.000 2.455 336 N HA 0.579 5.319 4.740 -0.001 0.000 0.280 336 N C -1.542 174.156 175.510 0.314 0.000 1.055 336 N CA -0.279 52.903 53.050 0.220 0.000 0.961 336 N CB 0.596 39.189 38.487 0.178 0.000 1.121 336 N HN 0.416 nan 8.380 nan 0.000 0.476 337 F N 0.889 120.930 119.950 0.151 0.000 2.654 337 F HA 0.532 5.058 4.527 -0.001 0.000 0.308 337 F C -1.579 174.332 175.800 0.186 0.000 1.108 337 F CA -1.239 56.835 58.000 0.123 0.000 0.957 337 F CB 0.481 39.526 39.000 0.074 0.000 1.309 337 F HN 0.009 nan 8.300 nan 0.000 0.446 338 V N 3.708 123.724 119.914 0.171 0.000 2.488 338 V HA 0.229 4.348 4.120 -0.001 0.000 0.277 338 V C 0.371 176.522 176.094 0.094 0.000 1.046 338 V CA -0.912 61.425 62.300 0.061 0.000 0.986 338 V CB 0.671 32.526 31.823 0.052 0.000 0.989 338 V HN 0.668 nan 8.190 nan 0.000 0.475 339 K N 2.879 123.256 120.400 -0.037 0.000 2.380 339 K HA 0.066 4.386 4.320 -0.001 0.000 0.267 339 K C 1.597 178.223 176.600 0.044 0.000 0.990 339 K CA 0.536 56.841 56.287 0.031 0.000 0.946 339 K CB 0.601 33.068 32.500 -0.056 0.000 0.937 339 K HN 0.863 nan 8.250 nan 0.000 0.491 340 S N 1.198 116.981 115.700 0.137 0.000 2.368 340 S HA -0.231 4.238 4.470 -0.001 0.000 0.225 340 S C 1.877 176.528 174.600 0.085 0.000 1.030 340 S CA 1.785 60.055 58.200 0.117 0.000 0.999 340 S CB -0.665 62.620 63.200 0.141 0.000 0.844 340 S HN 0.836 nan 8.310 nan 0.000 0.459 341 H N 0.741 119.849 119.070 0.063 0.000 2.529 341 H HA 0.330 4.885 4.556 -0.001 0.000 0.277 341 H C 1.475 176.823 175.328 0.034 0.000 0.999 341 H CA 0.770 56.843 56.048 0.043 0.000 1.256 341 H CB -0.429 29.355 29.762 0.037 0.000 1.402 341 H HN 0.390 nan 8.280 nan 0.000 0.566 342 L N 0.689 121.633 121.223 -0.465 0.000 2.611 342 L HA 0.108 4.447 4.340 -0.001 0.000 0.229 342 L C 1.432 178.223 176.870 -0.132 0.000 1.137 342 L CA 0.044 54.691 54.840 -0.322 0.000 0.901 342 L CB 0.080 41.909 42.059 -0.383 0.000 1.098 342 L HN 0.302 nan 8.230 nan 0.000 0.456 343 E N 0.183 120.342 120.200 -0.068 0.000 2.285 343 E HA -0.100 4.250 4.350 -0.001 0.000 0.194 343 E C 2.145 178.737 176.600 -0.014 0.000 0.997 343 E CA 1.132 57.519 56.400 -0.023 0.000 0.845 343 E CB 0.196 29.902 29.700 0.009 0.000 0.782 343 E HN 0.491 nan 8.360 nan 0.000 0.491 344 S N 0.141 115.835 115.700 -0.010 0.000 2.561 344 S HA 0.029 4.498 4.470 -0.001 0.000 0.225 344 S C 1.196 175.791 174.600 -0.009 0.000 0.977 344 S CA -0.088 58.113 58.200 0.001 0.000 0.926 344 S CB -0.291 62.919 63.200 0.017 0.000 0.769 344 S HN 0.056 nan 8.310 nan 0.000 0.533 345 L N 3.050 124.258 121.223 -0.026 0.000 2.467 345 L HA 0.179 4.518 4.340 -0.001 0.000 0.270 345 L C 1.030 177.885 176.870 -0.025 0.000 1.205 345 L CA -0.456 54.365 54.840 -0.031 0.000 0.828 345 L CB 0.322 42.347 42.059 -0.056 0.000 1.101 345 L HN 0.368 nan 8.230 nan 0.000 0.479 346 S N 0.344 116.030 115.700 -0.022 0.000 2.584 346 S HA 0.019 4.488 4.470 -0.001 0.000 0.270 346 S C 0.816 175.403 174.600 -0.022 0.000 1.346 346 S CA -0.577 57.612 58.200 -0.018 0.000 1.018 346 S CB 0.983 64.173 63.200 -0.016 0.000 0.899 346 S HN 0.679 nan 8.310 nan 0.000 0.542 347 E N 0.580 120.770 120.200 -0.017 0.000 2.160 347 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 347 E C 1.921 178.510 176.600 -0.019 0.000 0.991 347 E CA 1.389 57.779 56.400 -0.016 0.000 0.810 347 E CB -0.072 29.621 29.700 -0.011 0.000 0.742 347 E HN 0.895 nan 8.360 nan 0.000 0.466 348 E N 0.751 120.940 120.200 -0.019 0.000 2.047 348 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 348 E C 1.761 178.343 176.600 -0.030 0.000 0.987 348 E CA 0.987 57.376 56.400 -0.019 0.000 0.799 348 E CB 0.147 29.837 29.700 -0.016 0.000 0.752 348 E HN 0.242 nan 8.360 nan 0.000 0.449 349 E N 0.286 120.464 120.200 -0.036 0.000 2.150 349 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 349 E C 2.040 178.596 176.600 -0.075 0.000 0.985 349 E CA 0.693 57.061 56.400 -0.053 0.000 0.814 349 E CB 0.042 29.711 29.700 -0.051 0.000 0.752 349 E HN 0.099 nan 8.360 nan 0.000 0.466 350 K N 0.568 120.930 120.400 -0.063 0.000 2.155 350 K HA -0.120 4.200 4.320 -0.001 0.000 0.203 350 K C 2.115 178.678 176.600 -0.061 0.000 1.052 350 K CA 0.400 56.645 56.287 -0.070 0.000 0.948 350 K CB 0.052 32.525 32.500 -0.045 0.000 0.728 350 K HN 0.018 nan 8.250 nan 0.000 0.448 351 L N 0.939 122.137 121.223 -0.041 0.000 2.093 351 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 351 L C 1.866 178.715 176.870 -0.035 0.000 1.085 351 L CA 1.865 56.690 54.840 -0.026 0.000 0.755 351 L CB -0.655 41.397 42.059 -0.012 0.000 0.904 351 L HN 0.082 nan 8.230 nan 0.000 0.435 352 T N -0.273 114.251 114.554 -0.049 0.000 2.788 352 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 352 T C 1.818 176.459 174.700 -0.099 0.000 1.044 352 T CA 1.707 63.773 62.100 -0.058 0.000 1.139 352 T CB -0.344 68.489 68.868 -0.059 0.000 0.867 352 T HN 0.243 nan 8.240 nan 0.000 0.454 353 L N 0.816 121.947 121.223 -0.153 0.000 2.056 353 L HA 0.041 4.381 4.340 -0.001 0.000 0.207 353 L C 2.259 179.021 176.870 -0.180 0.000 1.078 353 L CA 1.747 56.422 54.840 -0.276 0.000 0.749 353 L CB -0.316 41.529 42.059 -0.358 0.000 0.901 353 L HN 0.079 nan 8.230 nan 0.000 0.433 354 K N -0.980 119.368 120.400 -0.085 0.000 2.148 354 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 354 K C 1.932 178.538 176.600 0.010 0.000 1.050 354 K CA 1.037 57.315 56.287 -0.015 0.000 0.942 354 K CB -0.228 32.273 32.500 0.002 0.000 0.724 354 K HN 0.408 nan 8.250 nan 0.000 0.446 355 A N 1.432 124.250 122.820 -0.004 0.000 2.119 355 A HA -0.033 4.287 4.320 -0.001 0.000 0.216 355 A C 0.494 178.092 177.584 0.024 0.000 1.152 355 A CA 0.565 52.613 52.037 0.019 0.000 0.708 355 A CB -0.048 18.961 19.000 0.015 0.000 0.805 355 A HN 0.117 nan 8.150 nan 0.000 0.460 356 K N -0.470 119.932 120.400 0.005 0.000 2.180 356 K HA 0.220 4.540 4.320 -0.001 0.000 0.251 356 K C 1.036 177.681 176.600 0.075 0.000 1.014 356 K CA 0.297 56.602 56.287 0.030 0.000 0.913 356 K CB 0.394 32.898 32.500 0.006 0.000 1.008 356 K HN 0.152 nan 8.250 nan 0.000 0.490 357 T N 0.289 114.884 114.554 0.069 0.000 2.684 357 T HA -0.070 4.280 4.350 -0.001 0.000 0.267 357 T C 0.955 175.730 174.700 0.124 0.000 1.036 357 T CA 1.264 63.402 62.100 0.063 0.000 1.148 357 T CB -0.173 68.666 68.868 -0.049 0.000 0.863 357 T HN 0.910 nan 8.240 nan 0.000 0.436 358 G N -0.114 108.791 108.800 0.176 0.000 2.298 358 G HA2 0.161 4.121 3.960 -0.001 0.000 0.309 358 G HA3 0.161 4.121 3.960 -0.001 0.000 0.309 358 G C -1.813 173.121 174.900 0.056 0.000 1.279 358 G CA -1.034 44.181 45.100 0.191 0.000 1.042 358 G HN 0.344 nan 8.290 nan 0.000 0.480 359 L N 1.473 122.661 121.223 -0.059 0.000 2.322 359 L HA 0.520 4.859 4.340 -0.001 0.000 0.279 359 L C -2.102 174.812 176.870 0.073 0.000 1.036 359 L CA -1.970 52.800 54.840 -0.117 0.000 0.807 359 L CB 2.196 44.078 42.059 -0.296 0.000 1.226 359 L HN 0.283 nan 8.230 nan 0.000 0.433 360 P HA 0.065 nan 4.420 nan 0.000 0.264 360 P C -0.562 176.834 177.300 0.161 0.000 1.193 360 P CA -0.029 63.164 63.100 0.156 0.000 0.763 360 P CB 0.312 32.107 31.700 0.160 0.000 0.810 361 I N 1.822 122.507 120.570 0.192 0.000 2.834 361 I HA 0.569 4.739 4.170 -0.001 0.000 0.305 361 I C -2.396 173.834 176.117 0.188 0.000 1.008 361 I CA -3.056 58.360 61.300 0.193 0.000 1.273 361 I CB 0.266 38.388 38.000 0.205 0.000 1.432 361 I HN 0.124 nan 8.210 nan 0.000 0.557 362 P HA 0.121 nan 4.420 nan 0.000 0.266 362 P C 0.081 177.480 177.300 0.166 0.000 1.193 362 P CA 0.123 63.311 63.100 0.146 0.000 0.770 362 P CB 0.237 32.016 31.700 0.131 0.000 0.836 363 L N -1.784 119.466 121.223 0.044 0.000 4.696 363 L HA -0.182 4.157 4.340 -0.001 0.000 0.425 363 L C -0.242 176.425 176.870 -0.338 0.000 1.115 363 L CA 0.207 54.974 54.840 -0.123 0.000 0.996 363 L CB -2.111 39.888 42.059 -0.100 0.000 2.077 363 L HN 0.159 nan 8.230 nan 0.000 0.792 364 V N 0.208 120.031 119.914 -0.151 0.000 2.495 364 V HA 0.433 4.553 4.120 -0.001 0.000 0.298 364 V C 0.506 176.594 176.094 -0.010 0.000 1.031 364 V CA -0.422 61.795 62.300 -0.138 0.000 0.871 364 V CB 2.091 33.924 31.823 0.017 0.000 0.988 364 V HN 0.179 nan 8.190 nan 0.000 0.432 365 R N 4.094 124.594 120.500 -0.001 0.000 2.215 365 R HA 0.614 4.953 4.340 -0.001 0.000 0.337 365 R C -1.151 175.283 176.300 0.222 0.000 1.010 365 R CA -0.396 55.776 56.100 0.120 0.000 0.871 365 R CB 0.888 31.255 30.300 0.112 0.000 1.134 365 R HN 0.702 nan 8.270 nan 0.000 0.477 366 L N 4.916 126.272 121.223 0.222 0.000 2.334 366 L HA 0.643 4.982 4.340 -0.001 0.000 0.276 366 L C -0.860 176.111 176.870 0.170 0.000 1.014 366 L CA -0.651 54.311 54.840 0.203 0.000 0.815 366 L CB 0.993 43.160 42.059 0.181 0.000 1.268 366 L HN 0.688 nan 8.230 nan 0.000 0.428 367 R N 3.019 123.502 120.500 -0.027 0.000 2.740 367 R HA 0.697 5.037 4.340 -0.001 0.000 0.273 367 R C -2.141 173.759 176.300 -0.666 0.000 0.998 367 R CA -0.952 54.957 56.100 -0.318 0.000 0.900 367 R CB 1.785 31.977 30.300 -0.180 0.000 1.223 367 R HN 0.327 nan 8.270 nan 0.000 0.466 368 V N 1.729 120.847 119.914 -1.328 0.000 2.311 368 V HA 0.719 4.839 4.120 -0.001 0.000 0.275 368 V C -0.222 175.555 176.094 -0.527 0.000 1.022 368 V CA -0.283 61.421 62.300 -0.992 0.000 0.830 368 V CB 0.640 31.572 31.823 -1.484 0.000 1.012 368 V HN 0.943 nan 8.190 nan 0.000 0.452 369 A N 3.917 126.553 122.820 -0.308 0.000 2.430 369 A HA 0.904 5.223 4.320 -0.001 0.000 0.300 369 A C -0.515 176.998 177.584 -0.118 0.000 1.124 369 A CA -0.727 51.206 52.037 -0.173 0.000 0.766 369 A CB 1.546 20.431 19.000 -0.192 0.000 1.328 369 A HN 0.803 nan 8.150 nan 0.000 0.424 370 D N -0.429 119.926 120.400 -0.073 0.000 2.469 370 D HA 0.257 4.897 4.640 -0.001 0.000 0.278 370 D C 0.563 176.831 176.300 -0.053 0.000 1.231 370 D CA -0.072 53.897 54.000 -0.052 0.000 1.075 370 D CB 0.157 40.941 40.800 -0.026 0.000 1.121 370 D HN 0.522 nan 8.370 nan 0.000 0.571 371 E N -1.027 119.151 120.200 -0.037 0.000 2.268 371 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 371 E C 1.245 177.827 176.600 -0.029 0.000 0.995 371 E CA 0.709 57.090 56.400 -0.032 0.000 0.836 371 E CB 0.107 29.794 29.700 -0.022 0.000 0.763 371 E HN 0.389 nan 8.360 nan 0.000 0.491 372 E N -0.857 119.327 120.200 -0.028 0.000 2.474 372 E HA 0.050 4.399 4.350 -0.001 0.000 0.194 372 E C 1.243 177.823 176.600 -0.034 0.000 1.041 372 E CA 0.684 57.070 56.400 -0.023 0.000 0.874 372 E CB 0.867 30.558 29.700 -0.015 0.000 0.914 372 E HN 0.320 nan 8.360 nan 0.000 0.498 373 G N 2.046 110.811 108.800 -0.057 0.000 2.157 373 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.239 373 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.239 373 G C 0.140 174.976 174.900 -0.106 0.000 0.982 373 G CA -0.123 44.919 45.100 -0.097 0.000 0.650 373 G HN 0.193 nan 8.290 nan 0.000 0.527 374 R N 1.021 121.485 120.500 -0.061 0.000 2.340 374 R HA 0.445 4.785 4.340 -0.001 0.000 0.300 374 R C -2.437 173.854 176.300 -0.015 0.000 1.069 374 R CA -1.700 54.380 56.100 -0.033 0.000 0.984 374 R CB 0.702 30.997 30.300 -0.008 0.000 1.003 374 R HN 0.084 nan 8.270 nan 0.000 0.459 375 P HA -0.079 nan 4.420 nan 0.000 0.264 375 P C -0.276 177.136 177.300 0.187 0.000 1.193 375 P CA -0.141 63.047 63.100 0.147 0.000 0.763 375 P CB 0.544 32.400 31.700 0.260 0.000 0.810 376 V N 2.395 122.448 119.914 0.231 0.000 3.003 376 V HA 0.428 4.548 4.120 -0.001 0.000 0.305 376 V C -2.307 173.992 176.094 0.341 0.000 1.078 376 V CA -2.402 60.032 62.300 0.225 0.000 1.083 376 V CB -0.461 31.450 31.823 0.148 0.000 1.039 376 V HN 0.356 nan 8.190 nan 0.000 0.481 377 P HA 0.128 nan 4.420 nan 0.000 0.265 377 P C -0.536 176.825 177.300 0.102 0.000 1.187 377 P CA 0.202 63.365 63.100 0.105 0.000 0.766 377 P CB 0.110 31.849 31.700 0.065 0.000 0.820 378 K N 2.478 122.806 120.400 -0.120 0.000 3.006 378 K HA 0.034 4.353 4.320 -0.001 0.000 0.262 378 K C 0.038 176.575 176.600 -0.104 0.000 1.289 378 K CA 0.166 56.270 56.287 -0.305 0.000 1.245 378 K CB -0.238 31.905 32.500 -0.596 0.000 1.614 378 K HN 0.478 nan 8.250 nan 0.000 0.322 379 D N -0.863 119.542 120.400 0.008 0.000 2.398 379 D HA 0.055 4.694 4.640 -0.001 0.000 0.210 379 D C 1.035 177.364 176.300 0.048 0.000 1.094 379 D CA -0.072 53.940 54.000 0.019 0.000 0.839 379 D CB 0.394 41.208 40.800 0.023 0.000 0.963 379 D HN 0.258 nan 8.370 nan 0.000 0.506 380 G N 0.660 109.517 108.800 0.095 0.000 2.168 380 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.257 380 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.257 380 G C 0.909 175.859 174.900 0.082 0.000 0.997 380 G CA 0.871 46.033 45.100 0.103 0.000 0.708 380 G HN 0.477 nan 8.290 nan 0.000 0.520 381 K N -0.763 119.687 120.400 0.084 0.000 2.485 381 K HA 0.501 4.821 4.320 -0.001 0.000 0.200 381 K C 1.398 178.036 176.600 0.064 0.000 1.352 381 K CA 0.365 56.689 56.287 0.060 0.000 0.953 381 K CB 0.580 33.106 32.500 0.044 0.000 1.387 381 K HN 0.558 nan 8.250 nan 0.000 0.512 382 A N 2.394 125.264 122.820 0.084 0.000 2.488 382 A HA 0.316 4.635 4.320 -0.001 0.000 0.249 382 A C -0.167 177.456 177.584 0.065 0.000 1.083 382 A CA -0.028 52.055 52.037 0.077 0.000 0.768 382 A CB -0.158 18.900 19.000 0.098 0.000 1.017 382 A HN 0.204 nan 8.150 nan 0.000 0.496 383 L N 2.428 123.669 121.223 0.030 0.000 2.325 383 L HA 0.729 5.068 4.340 -0.001 0.000 0.279 383 L C 0.825 177.678 176.870 -0.029 0.000 1.054 383 L CA 0.053 54.893 54.840 -0.001 0.000 0.804 383 L CB 1.733 43.793 42.059 0.001 0.000 1.200 383 L HN 0.889 nan 8.230 nan 0.000 0.436 384 G N 1.110 109.865 108.800 -0.075 0.000 2.559 384 G HA2 0.302 4.262 3.960 -0.001 0.000 0.291 384 G HA3 0.302 4.262 3.960 -0.001 0.000 0.291 384 G C -2.007 172.811 174.900 -0.138 0.000 1.424 384 G CA -0.544 44.492 45.100 -0.107 0.000 0.786 384 G HN 0.486 nan 8.290 nan 0.000 0.485 385 E N 0.029 120.148 120.200 -0.135 0.000 2.259 385 E HA 0.436 4.785 4.350 -0.001 0.000 0.281 385 E C -0.097 176.403 176.600 -0.167 0.000 1.027 385 E CA -0.535 55.791 56.400 -0.124 0.000 0.838 385 E CB 1.341 30.981 29.700 -0.099 0.000 1.066 385 E HN 0.209 nan 8.360 nan 0.000 0.401 386 V N 5.216 125.052 119.914 -0.129 0.000 2.529 386 V HA -0.003 4.117 4.120 -0.001 0.000 0.292 386 V C 0.045 176.122 176.094 -0.029 0.000 1.028 386 V CA 0.476 62.714 62.300 -0.104 0.000 1.074 386 V CB 0.630 32.448 31.823 -0.008 0.000 0.958 386 V HN 0.712 nan 8.190 nan 0.000 0.481 387 Q N 5.284 125.070 119.800 -0.023 0.000 2.337 387 Q HA 0.710 5.049 4.340 -0.001 0.000 0.270 387 Q C -1.312 174.862 176.000 0.289 0.000 1.043 387 Q CA -0.646 55.212 55.803 0.092 0.000 0.794 387 Q CB 2.818 31.549 28.738 -0.012 0.000 1.281 387 Q HN 0.602 nan 8.270 nan 0.000 0.446 388 L N 1.432 122.889 121.223 0.391 0.000 2.341 388 L HA 0.704 5.043 4.340 -0.001 0.000 0.267 388 L C -0.713 176.254 176.870 0.161 0.000 1.009 388 L CA -0.873 54.163 54.840 0.326 0.000 0.819 388 L CB 2.165 44.392 42.059 0.279 0.000 1.323 388 L HN 0.431 nan 8.230 nan 0.000 0.425 389 K N 0.541 120.916 120.400 -0.041 0.000 2.550 389 K HA 0.766 5.085 4.320 -0.001 0.000 0.252 389 K C -1.045 175.397 176.600 -0.264 0.000 0.943 389 K CA -0.389 55.718 56.287 -0.299 0.000 0.806 389 K CB 2.332 34.395 32.500 -0.728 0.000 1.289 389 K HN 0.826 nan 8.250 nan 0.000 0.435 390 G N 2.397 111.016 108.800 -0.302 0.000 2.316 390 G HA2 0.179 4.138 3.960 -0.001 0.000 0.296 390 G HA3 0.179 4.138 3.960 -0.001 0.000 0.296 390 G C -2.655 172.032 174.900 -0.356 0.000 1.399 390 G CA -0.909 43.954 45.100 -0.396 0.000 0.833 390 G HN 0.351 nan 8.290 nan 0.000 0.565 391 P HA 0.063 nan 4.420 nan 0.000 0.229 391 P C 0.786 178.089 177.300 0.006 0.000 1.160 391 P CA 1.242 64.258 63.100 -0.140 0.000 0.777 391 P CB -0.018 31.651 31.700 -0.052 0.000 0.814 392 W N -1.120 120.189 121.300 0.016 0.000 2.818 392 W HA 0.547 5.207 4.660 -0.001 0.000 0.403 392 W C -0.422 176.089 176.519 -0.013 0.000 0.991 392 W CA -1.057 56.301 57.345 0.022 0.000 1.925 392 W CB -1.004 28.500 29.460 0.073 0.000 1.166 392 W HN -0.338 nan 8.180 nan 0.000 0.605 393 I N 1.746 122.275 120.570 -0.067 0.000 2.359 393 I HA 0.224 4.394 4.170 -0.001 0.000 0.294 393 I C 0.991 176.990 176.117 -0.197 0.000 0.987 393 I CA -0.613 60.612 61.300 -0.126 0.000 1.225 393 I CB 1.725 39.625 38.000 -0.167 0.000 1.366 393 I HN -0.130 nan 8.210 nan 0.000 0.466 394 T N 3.969 118.318 114.554 -0.341 0.000 2.930 394 T HA 0.167 4.516 4.350 -0.001 0.000 0.306 394 T C 1.119 175.623 174.700 -0.326 0.000 1.045 394 T CA 0.168 62.042 62.100 -0.376 0.000 1.134 394 T CB 0.652 69.201 68.868 -0.533 0.000 0.961 394 T HN 0.839 nan 8.240 nan 0.000 0.545 395 G N 1.934 110.604 108.800 -0.216 0.000 3.126 395 G HA2 0.561 4.520 3.960 -0.001 0.000 0.224 395 G HA3 0.561 4.520 3.960 -0.001 0.000 0.224 395 G C 0.569 175.402 174.900 -0.112 0.000 1.142 395 G CA 0.285 45.313 45.100 -0.120 0.000 0.759 395 G HN 1.126 nan 8.290 nan 0.000 0.550 396 G N -1.176 107.480 108.800 -0.240 0.000 2.335 396 G HA2 0.420 4.379 3.960 -0.001 0.000 0.291 396 G HA3 0.420 4.379 3.960 -0.001 0.000 0.291 396 G C -1.993 172.626 174.900 -0.468 0.000 1.261 396 G CA -0.908 44.042 45.100 -0.249 0.000 0.871 396 G HN -0.001 nan 8.290 nan 0.000 0.491 397 Y N -1.078 119.226 120.300 0.007 0.000 2.562 397 Y HA 0.632 5.182 4.550 -0.001 0.000 0.343 397 Y C -0.444 175.475 175.900 0.033 0.000 1.025 397 Y CA -0.782 57.313 58.100 -0.010 0.000 1.082 397 Y CB 2.010 40.467 38.460 -0.006 0.000 1.264 397 Y HN 0.646 nan 8.280 nan 0.000 0.478 398 Y N 1.130 121.473 120.300 0.073 0.000 2.359 398 Y HA 0.447 4.996 4.550 -0.001 0.000 0.334 398 Y C 0.875 176.881 175.900 0.177 0.000 1.058 398 Y CA -0.246 57.883 58.100 0.048 0.000 1.244 398 Y CB 0.677 39.113 38.460 -0.040 0.000 1.187 398 Y HN 0.813 nan 8.280 nan 0.000 0.510 399 G N 4.896 113.395 108.800 -0.502 0.000 2.323 399 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.292 399 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.292 399 G C -0.299 174.577 174.900 -0.041 0.000 1.040 399 G CA 0.447 45.295 45.100 -0.420 0.000 0.942 399 G HN 0.802 nan 8.290 nan 0.000 0.506 400 N N -0.327 118.377 118.700 0.006 0.000 2.701 400 N HA 0.151 4.891 4.740 -0.001 0.000 0.258 400 N C 1.008 176.551 175.510 0.056 0.000 1.262 400 N CA -0.260 52.814 53.050 0.040 0.000 0.780 400 N CB 0.824 39.325 38.487 0.024 0.000 1.380 400 N HN 0.389 nan 8.380 nan 0.000 0.548 401 E N 0.655 120.875 120.200 0.032 0.000 2.077 401 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 401 E C 0.654 177.281 176.600 0.046 0.000 0.989 401 E CA 1.018 57.441 56.400 0.037 0.000 0.800 401 E CB 0.428 30.139 29.700 0.019 0.000 0.746 401 E HN 0.491 nan 8.360 nan 0.000 0.452 402 E N 0.533 120.751 120.200 0.029 0.000 2.072 402 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 402 E C 1.994 178.614 176.600 0.034 0.000 0.985 402 E CA 0.996 57.409 56.400 0.022 0.000 0.801 402 E CB -0.252 29.448 29.700 0.001 0.000 0.750 402 E HN 0.227 nan 8.360 nan 0.000 0.452 403 A N 0.678 123.516 122.820 0.030 0.000 1.969 403 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 403 A C 2.407 180.156 177.584 0.275 0.000 1.169 403 A CA 1.779 53.837 52.037 0.035 0.000 0.635 403 A CB -0.653 18.225 19.000 -0.203 0.000 0.810 403 A HN 0.216 nan 8.150 nan 0.000 0.445 404 T N 0.384 115.098 114.554 0.268 0.000 2.732 404 T HA -0.129 4.221 4.350 -0.001 0.000 0.261 404 T C 1.973 176.762 174.700 0.149 0.000 1.040 404 T CA 1.520 63.766 62.100 0.244 0.000 1.145 404 T CB -0.287 68.670 68.868 0.150 0.000 0.866 404 T HN 0.781 nan 8.240 nan 0.000 0.427 405 R N 1.792 122.352 120.500 0.100 0.000 2.285 405 R HA 0.043 4.382 4.340 -0.001 0.000 0.213 405 R C 1.831 178.168 176.300 0.062 0.000 1.068 405 R CA 1.436 57.576 56.100 0.066 0.000 1.004 405 R CB -0.418 29.909 30.300 0.045 0.000 0.873 405 R HN 0.455 nan 8.270 nan 0.000 0.467 406 S N -1.109 114.637 115.700 0.078 0.000 2.559 406 S HA 0.366 4.836 4.470 -0.001 0.000 0.226 406 S C 1.654 176.293 174.600 0.065 0.000 1.000 406 S CA -0.161 58.071 58.200 0.054 0.000 0.948 406 S CB 1.161 64.381 63.200 0.033 0.000 0.870 406 S HN 0.352 nan 8.310 nan 0.000 0.497 407 A N 1.369 124.268 122.820 0.131 0.000 2.072 407 A HA 0.490 4.809 4.320 -0.001 0.000 0.216 407 A C 0.752 178.373 177.584 0.062 0.000 1.156 407 A CA 0.325 52.453 52.037 0.153 0.000 0.701 407 A CB -0.186 19.011 19.000 0.327 0.000 0.816 407 A HN 0.548 nan 8.150 nan 0.000 0.458 408 L N 0.131 121.399 121.223 0.075 0.000 2.333 408 L HA 0.399 4.739 4.340 -0.001 0.000 0.269 408 L C 0.539 177.443 176.870 0.056 0.000 1.010 408 L CA -0.865 54.022 54.840 0.078 0.000 0.818 408 L CB 2.005 44.117 42.059 0.088 0.000 1.306 408 L HN 0.255 nan 8.230 nan 0.000 0.430 409 T N -2.475 112.130 114.554 0.085 0.000 2.816 409 T HA 0.247 4.597 4.350 -0.001 0.000 0.282 409 T C -1.911 172.838 174.700 0.081 0.000 0.993 409 T CA -1.509 60.635 62.100 0.074 0.000 0.994 409 T CB 0.901 69.824 68.868 0.092 0.000 1.025 409 T HN 0.361 nan 8.240 nan 0.000 0.529 410 P HA -0.059 nan 4.420 nan 0.000 0.219 410 P C 0.836 178.184 177.300 0.080 0.000 1.146 410 P CA 1.031 64.165 63.100 0.056 0.000 0.808 410 P CB -0.059 31.664 31.700 0.038 0.000 0.779 411 D N -2.152 118.323 120.400 0.126 0.000 2.388 411 D HA 0.156 4.795 4.640 -0.001 0.000 0.221 411 D C 1.093 177.533 176.300 0.232 0.000 1.133 411 D CA 0.050 54.156 54.000 0.177 0.000 0.831 411 D CB -0.767 40.154 40.800 0.201 0.000 0.962 411 D HN 0.170 nan 8.370 nan 0.000 0.502 412 G N -0.000 108.901 108.800 0.169 0.000 2.137 412 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.237 412 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.237 412 G C -0.360 174.546 174.900 0.011 0.000 1.002 412 G CA -0.289 44.851 45.100 0.066 0.000 0.702 412 G HN 0.286 nan 8.290 nan 0.000 0.515 413 F N -0.216 119.753 119.950 0.032 0.000 2.399 413 F HA 0.660 5.187 4.527 -0.001 0.000 0.334 413 F C 0.651 176.498 175.800 0.078 0.000 1.097 413 F CA -1.469 56.560 58.000 0.050 0.000 1.076 413 F CB 0.928 39.941 39.000 0.023 0.000 1.162 413 F HN 0.118 nan 8.300 nan 0.000 0.495 414 F N 4.111 124.128 119.950 0.112 0.000 2.443 414 F HA 0.389 4.915 4.527 -0.001 0.000 0.353 414 F C 0.172 176.034 175.800 0.103 0.000 1.101 414 F CA -0.660 57.380 58.000 0.066 0.000 1.226 414 F CB 0.417 39.422 39.000 0.008 0.000 1.140 414 F HN 0.371 nan 8.300 nan 0.000 0.557 415 R N 4.360 124.332 120.500 -0.880 0.000 2.198 415 R HA 0.171 4.510 4.340 -0.001 0.000 0.339 415 R C 1.162 176.860 176.300 -1.002 0.000 1.020 415 R CA 0.370 56.071 56.100 -0.666 0.000 0.864 415 R CB 0.839 30.925 30.300 -0.357 0.000 1.105 415 R HN 0.871 nan 8.270 nan 0.000 0.463 416 T N -0.714 113.571 114.554 -0.449 0.000 2.985 416 T HA 0.021 4.370 4.350 -0.001 0.000 0.266 416 T C 1.490 176.173 174.700 -0.029 0.000 1.076 416 T CA 0.743 62.786 62.100 -0.096 0.000 1.135 416 T CB 0.095 69.091 68.868 0.212 0.000 0.890 416 T HN 0.786 nan 8.240 nan 0.000 0.480 417 G N 1.407 110.164 108.800 -0.072 0.000 2.143 417 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.249 417 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.249 417 G C -0.526 174.392 174.900 0.030 0.000 0.981 417 G CA 0.053 45.136 45.100 -0.028 0.000 0.665 417 G HN 0.611 nan 8.290 nan 0.000 0.528 418 D N 0.620 121.053 120.400 0.054 0.000 2.256 418 D HA 0.482 5.121 4.640 -0.001 0.000 0.240 418 D C 0.632 176.932 176.300 0.001 0.000 1.062 418 D CA -0.429 53.613 54.000 0.070 0.000 0.832 418 D CB 1.353 42.237 40.800 0.139 0.000 1.135 418 D HN 0.050 nan 8.370 nan 0.000 0.484 419 I N 1.745 122.314 120.570 -0.001 0.000 2.395 419 I HA 0.489 4.659 4.170 -0.001 0.000 0.289 419 I C 0.605 176.694 176.117 -0.047 0.000 1.023 419 I CA -0.399 60.883 61.300 -0.029 0.000 1.350 419 I CB 0.510 38.506 38.000 -0.008 0.000 1.409 419 I HN 0.346 nan 8.210 nan 0.000 0.507 420 A N 6.344 129.113 122.820 -0.086 0.000 2.583 420 A HA 0.856 5.175 4.320 -0.001 0.000 0.289 420 A C -0.837 176.697 177.584 -0.083 0.000 1.151 420 A CA -0.510 51.470 52.037 -0.095 0.000 0.695 420 A CB 1.954 20.861 19.000 -0.154 0.000 1.290 420 A HN 0.530 nan 8.150 nan 0.000 0.419 421 V N -2.701 117.200 119.914 -0.022 0.000 2.960 421 V HA 1.010 5.129 4.120 -0.001 0.000 0.315 421 V C -1.164 175.050 176.094 0.200 0.000 1.087 421 V CA -0.738 61.606 62.300 0.074 0.000 0.982 421 V CB 1.793 33.676 31.823 0.100 0.000 1.039 421 V HN 1.708 nan 8.190 nan 0.000 0.437 422 W N 2.043 123.351 121.300 0.013 0.000 3.167 422 W HA 0.856 5.515 4.660 -0.001 0.000 0.324 422 W C -1.431 175.109 176.519 0.035 0.000 1.230 422 W CA -1.574 55.788 57.345 0.029 0.000 1.184 422 W CB 0.112 29.585 29.460 0.022 0.000 1.414 422 W HN 0.866 nan 8.180 nan 0.000 0.551 423 D N -0.229 120.258 120.400 0.145 0.000 2.592 423 D HA 0.309 4.949 4.640 -0.001 0.000 0.259 423 D C 0.790 177.029 176.300 -0.100 0.000 1.144 423 D CA -0.527 53.480 54.000 0.012 0.000 1.080 423 D CB 1.124 41.965 40.800 0.067 0.000 1.225 423 D HN 0.249 nan 8.370 nan 0.000 0.619 424 E N -0.451 119.704 120.200 -0.075 0.000 2.268 424 E HA -0.106 4.244 4.350 -0.001 0.000 0.195 424 E C 1.203 177.782 176.600 -0.035 0.000 0.995 424 E CA 0.680 57.024 56.400 -0.095 0.000 0.836 424 E CB -0.002 29.662 29.700 -0.061 0.000 0.763 424 E HN 0.475 nan 8.360 nan 0.000 0.491 425 E N -0.307 119.926 120.200 0.055 0.000 2.427 425 E HA -0.026 4.323 4.350 -0.001 0.000 0.196 425 E C 1.285 177.909 176.600 0.041 0.000 1.028 425 E CA 0.759 57.239 56.400 0.132 0.000 0.864 425 E CB 0.308 30.189 29.700 0.302 0.000 0.813 425 E HN 0.402 nan 8.360 nan 0.000 0.514 426 G N 0.525 109.329 108.800 0.006 0.000 2.176 426 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.232 426 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.232 426 G C -0.075 174.815 174.900 -0.016 0.000 0.986 426 G CA -0.068 45.003 45.100 -0.049 0.000 0.643 426 G HN 0.222 nan 8.290 nan 0.000 0.522 427 Y N 0.452 120.776 120.300 0.040 0.000 2.425 427 Y HA 0.440 4.990 4.550 -0.001 0.000 0.331 427 Y C 1.071 177.045 175.900 0.125 0.000 1.157 427 Y CA -0.183 57.946 58.100 0.048 0.000 1.372 427 Y CB 1.203 39.661 38.460 -0.003 0.000 1.253 427 Y HN 0.091 nan 8.280 nan 0.000 0.536 428 V N 3.154 123.212 119.914 0.239 0.000 2.612 428 V HA 0.376 4.495 4.120 -0.001 0.000 0.301 428 V C -0.381 175.769 176.094 0.094 0.000 1.046 428 V CA -1.081 61.317 62.300 0.163 0.000 0.946 428 V CB 1.760 33.621 31.823 0.063 0.000 1.003 428 V HN 0.742 nan 8.190 nan 0.000 0.459 429 E N 3.079 123.302 120.200 0.039 0.000 2.409 429 E HA 0.324 4.674 4.350 -0.001 0.000 0.259 429 E C -1.207 175.369 176.600 -0.041 0.000 0.932 429 E CA -0.670 55.735 56.400 0.008 0.000 0.809 429 E CB 1.142 30.867 29.700 0.041 0.000 1.341 429 E HN 0.526 nan 8.360 nan 0.000 0.405 430 I N 4.516 125.031 120.570 -0.092 0.000 2.662 430 I HA -0.042 4.128 4.170 -0.001 0.000 0.285 430 I C 1.208 177.317 176.117 -0.015 0.000 1.161 430 I CA 0.522 61.768 61.300 -0.090 0.000 1.415 430 I CB 0.381 38.308 38.000 -0.121 0.000 1.385 430 I HN 0.569 nan 8.210 nan 0.000 0.552 431 K N 3.107 123.505 120.400 -0.003 0.000 2.306 431 K HA 0.171 4.490 4.320 -0.001 0.000 0.200 431 K C 0.232 176.856 176.600 0.040 0.000 1.083 431 K CA 0.495 56.795 56.287 0.022 0.000 0.959 431 K CB 0.518 33.028 32.500 0.017 0.000 0.994 431 K HN 0.591 nan 8.250 nan 0.000 0.492 432 D N -0.722 119.701 120.400 0.038 0.000 2.744 432 D HA 0.351 4.991 4.640 -0.001 0.000 0.304 432 D C -1.345 174.997 176.300 0.069 0.000 1.179 432 D CA -0.550 53.484 54.000 0.057 0.000 1.024 432 D CB 1.730 42.556 40.800 0.044 0.000 1.453 432 D HN -0.241 nan 8.370 nan 0.000 0.529 433 R N 0.859 121.407 120.500 0.079 0.000 2.532 433 R HA 0.444 4.784 4.340 -0.001 0.000 0.297 433 R C 0.783 177.115 176.300 0.053 0.000 0.984 433 R CA -0.439 55.714 56.100 0.088 0.000 0.884 433 R CB 1.382 31.766 30.300 0.140 0.000 1.182 433 R HN 0.313 nan 8.270 nan 0.000 0.442 434 L N 2.444 123.685 121.223 0.030 0.000 2.044 434 L HA -0.038 4.302 4.340 -0.001 0.000 0.205 434 L C 0.219 177.092 176.870 0.004 0.000 1.075 434 L CA 1.278 56.122 54.840 0.008 0.000 0.747 434 L CB -0.115 41.937 42.059 -0.012 0.000 0.903 434 L HN 0.533 nan 8.230 nan 0.000 0.435 435 K N 0.784 121.182 120.400 -0.003 0.000 2.412 435 K HA 0.034 4.353 4.320 -0.001 0.000 0.281 435 K C -0.519 176.083 176.600 0.002 0.000 1.027 435 K CA -0.155 56.117 56.287 -0.025 0.000 0.989 435 K CB 0.352 32.808 32.500 -0.074 0.000 0.935 435 K HN -0.126 nan 8.250 nan 0.000 0.475 436 D N 4.237 124.635 120.400 -0.002 0.000 2.453 436 D HA 0.239 4.878 4.640 -0.001 0.000 0.223 436 D C -1.093 175.229 176.300 0.037 0.000 1.183 436 D CA -0.122 53.893 54.000 0.025 0.000 0.933 436 D CB -0.007 40.801 40.800 0.014 0.000 1.038 436 D HN 0.435 nan 8.370 nan 0.000 0.513 437 L N 2.407 123.689 121.223 0.097 0.000 2.341 437 L HA 0.614 4.954 4.340 -0.001 0.000 0.254 437 L C -0.609 176.442 176.870 0.302 0.000 1.040 437 L CA -1.157 53.789 54.840 0.176 0.000 0.837 437 L CB 1.887 44.007 42.059 0.101 0.000 1.425 437 L HN 0.131 nan 8.230 nan 0.000 0.414 438 I N 0.824 121.616 120.570 0.369 0.000 2.465 438 I HA 0.397 4.567 4.170 -0.001 0.000 0.291 438 I C -0.608 175.716 176.117 0.345 0.000 1.014 438 I CA -0.414 61.068 61.300 0.303 0.000 1.093 438 I CB 1.934 40.037 38.000 0.171 0.000 1.267 438 I HN 0.365 nan 8.210 nan 0.000 0.431 439 K N 4.047 124.530 120.400 0.139 0.000 2.389 439 K HA 0.459 4.779 4.320 -0.001 0.000 0.261 439 K C -0.805 175.796 176.600 0.001 0.000 1.014 439 K CA -0.212 55.982 56.287 -0.155 0.000 0.920 439 K CB 1.241 33.371 32.500 -0.616 0.000 1.149 439 K HN 0.606 nan 8.250 nan 0.000 0.444 440 S N 2.860 118.613 115.700 0.088 0.000 2.438 440 S HA 0.421 4.890 4.470 -0.001 0.000 0.316 440 S C 0.530 175.216 174.600 0.144 0.000 1.084 440 S CA 0.325 58.606 58.200 0.135 0.000 1.107 440 S CB 0.841 64.097 63.200 0.093 0.000 0.981 440 S HN 0.895 nan 8.310 nan 0.000 0.466 441 G N 3.238 112.203 108.800 0.275 0.000 2.283 441 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.280 441 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.280 441 G C 1.165 176.124 174.900 0.099 0.000 1.029 441 G CA 0.572 45.853 45.100 0.301 0.000 0.840 441 G HN 2.169 nan 8.290 nan 0.000 0.505 442 G N -1.981 106.836 108.800 0.028 0.000 2.176 442 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.253 442 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.253 442 G C 0.034 174.879 174.900 -0.092 0.000 0.979 442 G CA 0.868 45.962 45.100 -0.010 0.000 0.641 442 G HN 1.004 nan 8.290 nan 0.000 0.530 443 E N -0.817 119.328 120.200 -0.092 0.000 2.227 443 E HA 0.530 4.879 4.350 -0.001 0.000 0.268 443 E C -0.509 176.151 176.600 0.100 0.000 0.907 443 E CA -0.885 55.508 56.400 -0.011 0.000 0.786 443 E CB 1.103 30.737 29.700 -0.110 0.000 1.191 443 E HN 0.324 nan 8.360 nan 0.000 0.411 444 W N 1.717 123.212 121.300 0.324 0.000 2.313 444 W HA 0.436 5.096 4.660 -0.001 0.000 0.328 444 W C 0.257 176.934 176.519 0.262 0.000 1.197 444 W CA -0.364 57.138 57.345 0.261 0.000 1.235 444 W CB 0.722 30.292 29.460 0.184 0.000 1.158 444 W HN 0.243 nan 8.180 nan 0.000 0.578 445 I N 2.517 123.372 120.570 0.475 0.000 2.499 445 I HA 0.128 4.298 4.170 -0.001 0.000 0.288 445 I C -0.140 176.108 176.117 0.219 0.000 1.048 445 I CA -0.769 60.670 61.300 0.231 0.000 1.062 445 I CB 1.936 39.979 38.000 0.073 0.000 1.238 445 I HN 0.169 nan 8.210 nan 0.000 0.426 446 S N 2.874 118.675 115.700 0.168 0.000 2.499 446 S HA 0.217 4.686 4.470 -0.001 0.000 0.275 446 S C 1.089 175.729 174.600 0.066 0.000 1.257 446 S CA -0.396 57.869 58.200 0.108 0.000 1.050 446 S CB 0.892 64.144 63.200 0.086 0.000 0.937 446 S HN 0.679 nan 8.310 nan 0.000 0.490 447 S N 3.988 119.711 115.700 0.037 0.000 2.345 447 S HA -0.085 4.385 4.470 -0.001 0.000 0.219 447 S C 2.019 176.605 174.600 -0.024 0.000 1.031 447 S CA 0.996 59.193 58.200 -0.005 0.000 0.984 447 S CB -0.367 62.837 63.200 0.006 0.000 0.874 447 S HN 0.649 nan 8.310 nan 0.000 0.451 448 V N 2.611 122.520 119.914 -0.008 0.000 2.392 448 V HA -0.210 3.910 4.120 -0.001 0.000 0.249 448 V C 1.842 177.935 176.094 -0.002 0.000 1.059 448 V CA 1.982 64.275 62.300 -0.012 0.000 1.051 448 V CB -0.893 30.922 31.823 -0.013 0.000 0.658 448 V HN 0.351 nan 8.190 nan 0.000 0.455 449 D N -0.326 120.094 120.400 0.034 0.000 2.224 449 D HA -0.056 4.583 4.640 -0.001 0.000 0.205 449 D C 2.053 178.391 176.300 0.062 0.000 0.965 449 D CA 0.808 54.874 54.000 0.110 0.000 0.852 449 D CB -0.071 40.856 40.800 0.212 0.000 0.947 449 D HN 0.328 nan 8.370 nan 0.000 0.494 450 L N 0.313 121.472 121.223 -0.106 0.000 2.095 450 L HA -0.049 4.290 4.340 -0.001 0.000 0.204 450 L C 2.145 178.889 176.870 -0.210 0.000 1.080 450 L CA 0.951 55.579 54.840 -0.354 0.000 0.759 450 L CB -0.152 41.694 42.059 -0.355 0.000 0.914 450 L HN 0.011 nan 8.230 nan 0.000 0.439 451 E N 0.236 120.366 120.200 -0.117 0.000 2.051 451 E HA -0.182 4.167 4.350 -0.001 0.000 0.192 451 E C 0.650 177.215 176.600 -0.058 0.000 0.991 451 E CA 0.982 57.334 56.400 -0.080 0.000 0.799 451 E CB -0.118 29.550 29.700 -0.055 0.000 0.748 451 E HN 0.378 nan 8.360 nan 0.000 0.449 452 N N 0.588 119.264 118.700 -0.039 0.000 2.906 452 N HA 0.163 4.903 4.740 -0.001 0.000 0.282 452 N C -0.858 174.644 175.510 -0.013 0.000 1.293 452 N CA 0.220 53.259 53.050 -0.019 0.000 1.059 452 N CB 0.618 39.102 38.487 -0.004 0.000 1.388 452 N HN 0.136 nan 8.380 nan 0.000 0.533 465 V N 2.385 122.247 119.914 -0.087 0.000 2.638 465 V HA 0.783 4.902 4.120 -0.001 0.000 0.306 465 V C -0.077 175.977 176.094 -0.066 0.000 1.052 465 V CA -0.404 61.832 62.300 -0.105 0.000 0.885 465 V CB 1.700 33.453 31.823 -0.117 0.000 0.999 465 V HN 1.576 nan 8.190 nan 0.000 0.424 466 V N 1.239 121.114 119.914 -0.066 0.000 3.040 466 V HA 0.994 5.114 4.120 -0.001 0.000 0.312 466 V C 0.069 176.179 176.094 0.027 0.000 1.115 466 V CA -1.156 61.136 62.300 -0.013 0.000 0.998 466 V CB 1.915 33.730 31.823 -0.014 0.000 1.042 466 V HN 1.089 nan 8.190 nan 0.000 0.433 467 A N 3.901 126.765 122.820 0.074 0.000 2.309 467 A HA 0.746 5.066 4.320 -0.001 0.000 0.290 467 A C -0.318 177.358 177.584 0.152 0.000 1.206 467 A CA -0.330 51.780 52.037 0.121 0.000 0.850 467 A CB -0.238 18.847 19.000 0.142 0.000 1.118 467 A HN 0.695 nan 8.150 nan 0.000 0.523 468 I N 4.095 124.796 120.570 0.219 0.000 2.378 468 I HA 0.312 4.482 4.170 -0.001 0.000 0.291 468 I C -2.412 173.916 176.117 0.351 0.000 0.992 468 I CA -2.573 58.901 61.300 0.290 0.000 1.154 468 I CB 1.394 39.610 38.000 0.361 0.000 1.315 468 I HN 0.340 nan 8.210 nan 0.000 0.448 469 P HA 0.001 nan 4.420 nan 0.000 0.264 469 P C -0.568 176.937 177.300 0.341 0.000 1.183 469 P CA 0.714 63.974 63.100 0.267 0.000 0.763 469 P CB 0.314 32.130 31.700 0.194 0.000 0.807 470 H N 4.153 123.351 119.070 0.214 0.000 2.771 470 H HA 0.256 4.812 4.556 -0.001 0.000 0.361 470 H C -2.056 173.357 175.328 0.141 0.000 1.108 470 H CA -2.143 54.026 56.048 0.203 0.000 1.201 470 H CB 2.110 32.001 29.762 0.216 0.000 1.681 470 H HN 0.152 nan 8.280 nan 0.000 0.534 471 P HA -0.095 nan 4.420 nan 0.000 0.216 471 P C 1.185 178.559 177.300 0.123 0.000 1.150 471 P CA 1.446 64.585 63.100 0.065 0.000 0.837 471 P CB 0.622 32.298 31.700 -0.040 0.000 0.786 472 K N -2.087 118.474 120.400 0.268 0.000 2.102 472 K HA 0.009 4.328 4.320 -0.001 0.000 0.206 472 K C 0.826 177.264 176.600 -0.271 0.000 1.031 472 K CA 0.454 56.673 56.287 -0.112 0.000 0.962 472 K CB -0.162 32.119 32.500 -0.365 0.000 0.811 472 K HN -0.018 nan 8.250 nan 0.000 0.453 473 W N 0.640 121.970 121.300 0.049 0.000 1.807 473 W HA 0.143 4.803 4.660 -0.001 0.000 0.493 473 W C 1.382 177.937 176.519 0.061 0.000 2.080 473 W CA -0.529 56.791 57.345 -0.041 0.000 2.345 473 W CB 0.117 29.452 29.460 -0.208 0.000 1.717 473 W HN 0.010 nan 8.180 nan 0.000 0.777 474 Q N -0.654 119.325 119.800 0.299 0.000 2.245 474 Q HA 0.193 4.533 4.340 -0.001 0.000 0.250 474 Q C -0.788 175.358 176.000 0.243 0.000 0.830 474 Q CA 0.501 56.444 55.803 0.234 0.000 0.950 474 Q CB 1.029 29.865 28.738 0.163 0.000 1.124 474 Q HN 0.359 nan 8.270 nan 0.000 0.502 475 E N -0.218 120.120 120.200 0.231 0.000 2.356 475 E HA 0.537 4.886 4.350 -0.001 0.000 0.275 475 E C -1.044 175.650 176.600 0.157 0.000 0.904 475 E CA -0.889 55.638 56.400 0.211 0.000 0.757 475 E CB 1.791 31.593 29.700 0.171 0.000 1.232 475 E HN -0.207 nan 8.360 nan 0.000 0.442 476 R N 1.663 122.253 120.500 0.150 0.000 2.686 476 R HA 0.476 4.816 4.340 -0.001 0.000 0.283 476 R C -2.710 173.646 176.300 0.094 0.000 0.978 476 R CA -2.469 53.636 56.100 0.009 0.000 0.897 476 R CB 1.540 31.694 30.300 -0.243 0.000 1.192 476 R HN 0.383 nan 8.270 nan 0.000 0.457 477 P HA 0.252 nan 4.420 nan 0.000 0.275 477 P C -0.642 176.659 177.300 0.001 0.000 1.228 477 P CA -0.379 62.714 63.100 -0.010 0.000 0.786 477 P CB 1.167 32.809 31.700 -0.097 0.000 0.927 478 L N 1.938 123.114 121.223 -0.078 0.000 2.471 478 L HA 0.560 4.899 4.340 -0.001 0.000 0.263 478 L C -0.407 176.264 176.870 -0.332 0.000 0.985 478 L CA -0.774 53.936 54.840 -0.216 0.000 0.868 478 L CB 1.019 42.921 42.059 -0.262 0.000 1.203 478 L HN 0.352 nan 8.230 nan 0.000 0.429 479 A N 4.464 126.988 122.820 -0.493 0.000 2.409 479 A HA 0.537 4.857 4.320 -0.001 0.000 0.267 479 A C -0.376 177.051 177.584 -0.260 0.000 1.127 479 A CA -0.251 51.555 52.037 -0.384 0.000 0.795 479 A CB 0.717 19.483 19.000 -0.390 0.000 1.061 479 A HN 0.437 nan 8.150 nan 0.000 0.502 480 V N 5.053 124.881 119.914 -0.142 0.000 2.318 480 V HA 0.328 4.448 4.120 -0.001 0.000 0.271 480 V C 0.202 176.296 176.094 -0.000 0.000 1.030 480 V CA -0.151 62.097 62.300 -0.087 0.000 0.844 480 V CB 0.569 32.312 31.823 -0.133 0.000 1.015 480 V HN 0.687 nan 8.190 nan 0.000 0.460 502 F N 1.382 121.279 119.950 -0.088 0.000 2.546 502 F HA 0.826 5.353 4.527 -0.001 0.000 0.320 502 F C 0.627 176.332 175.800 -0.158 0.000 1.076 502 F CA -0.764 57.147 58.000 -0.148 0.000 0.928 502 F CB 2.067 40.962 39.000 -0.175 0.000 1.189 502 F HN 0.145 nan 8.300 nan 0.000 0.465 503 A N 2.242 125.011 122.820 -0.086 0.000 2.259 503 A HA 0.385 4.705 4.320 -0.001 0.000 0.278 503 A C 1.148 178.651 177.584 -0.136 0.000 1.107 503 A CA -0.409 51.572 52.037 -0.095 0.000 0.828 503 A CB 0.491 19.467 19.000 -0.040 0.000 1.111 503 A HN 0.932 nan 8.150 nan 0.000 0.498 504 K N 0.038 120.435 120.400 -0.006 0.000 2.148 504 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 504 K C 1.562 178.154 176.600 -0.014 0.000 1.050 504 K CA 1.860 58.153 56.287 0.010 0.000 0.942 504 K CB -0.124 32.417 32.500 0.069 0.000 0.724 504 K HN 0.927 nan 8.250 nan 0.000 0.446 505 W N 0.983 122.231 121.300 -0.087 0.000 2.678 505 W HA -0.009 4.651 4.660 -0.001 0.000 0.256 505 W C 0.762 177.185 176.519 -0.159 0.000 1.280 505 W CA 0.273 57.506 57.345 -0.188 0.000 1.345 505 W CB -0.338 28.991 29.460 -0.219 0.000 1.118 505 W HN 0.068 nan 8.180 nan 0.000 0.629 506 Q N 1.128 120.462 119.800 -0.776 0.000 2.398 506 Q HA 0.145 4.485 4.340 -0.001 0.000 0.204 506 Q C 0.906 176.706 176.000 -0.333 0.000 0.932 506 Q CA 0.133 55.525 55.803 -0.686 0.000 0.916 506 Q CB 0.122 28.448 28.738 -0.687 0.000 1.024 506 Q HN 0.215 nan 8.270 nan 0.000 0.504 507 L N 4.144 125.225 121.223 -0.237 0.000 2.462 507 L HA 0.114 4.454 4.340 -0.001 0.000 0.272 507 L C -1.958 174.819 176.870 -0.154 0.000 1.166 507 L CA -1.627 53.119 54.840 -0.156 0.000 0.880 507 L CB -0.273 41.744 42.059 -0.070 0.000 1.142 507 L HN -0.071 nan 8.230 nan 0.000 0.473 508 P HA -0.015 nan 4.420 nan 0.000 0.264 508 P C -0.339 176.873 177.300 -0.145 0.000 1.193 508 P CA -0.122 62.843 63.100 -0.225 0.000 0.763 508 P CB 0.987 32.434 31.700 -0.423 0.000 0.810 509 D N 1.642 122.013 120.400 -0.049 0.000 2.097 509 D HA -0.021 4.619 4.640 -0.001 0.000 0.197 509 D C 0.926 177.348 176.300 0.204 0.000 0.984 509 D CA 1.446 55.495 54.000 0.082 0.000 0.826 509 D CB 0.156 40.980 40.800 0.040 0.000 0.973 509 D HN 0.489 nan 8.370 nan 0.000 0.460 510 A N -1.092 121.848 122.820 0.200 0.000 2.479 510 A HA 0.625 4.944 4.320 -0.001 0.000 0.296 510 A C -1.413 176.070 177.584 -0.168 0.000 1.121 510 A CA -0.600 51.559 52.037 0.204 0.000 0.743 510 A CB 1.272 20.535 19.000 0.440 0.000 1.323 510 A HN -0.016 nan 8.150 nan 0.000 0.415 527 K N -0.926 119.482 120.400 0.013 0.000 2.447 527 K HA 0.401 4.720 4.320 -0.001 0.000 0.205 527 K C 0.752 177.369 176.600 0.028 0.000 1.059 527 K CA -0.641 55.657 56.287 0.018 0.000 1.065 527 K CB 0.486 32.992 32.500 0.009 0.000 0.885 527 K HN 0.296 nan 8.250 nan 0.000 0.545 528 R N 0.658 121.174 120.500 0.026 0.000 2.339 528 R HA 0.119 4.459 4.340 -0.001 0.000 0.199 528 R C 1.301 177.622 176.300 0.035 0.000 1.018 528 R CA 0.990 57.108 56.100 0.030 0.000 1.036 528 R CB 0.144 30.458 30.300 0.023 0.000 0.899 528 R HN 0.406 nan 8.270 nan 0.000 0.473 529 A N 0.081 122.923 122.820 0.037 0.000 2.108 529 A HA 0.170 4.490 4.320 -0.001 0.000 0.206 529 A C 2.028 179.650 177.584 0.064 0.000 1.212 529 A CA -0.170 51.890 52.037 0.039 0.000 0.843 529 A CB 0.053 19.071 19.000 0.029 0.000 0.902 529 A HN 0.125 nan 8.150 nan 0.000 0.477 530 L N -0.421 120.854 121.223 0.087 0.000 2.191 530 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 530 L C 2.648 179.642 176.870 0.207 0.000 1.103 530 L CA 1.372 56.310 54.840 0.162 0.000 0.769 530 L CB -0.307 41.808 42.059 0.093 0.000 0.908 530 L HN 0.448 nan 8.230 nan 0.000 0.438 531 R N 0.280 120.853 120.500 0.121 0.000 2.062 531 R HA -0.195 4.145 4.340 -0.001 0.000 0.229 531 R C 2.192 178.556 176.300 0.108 0.000 1.128 531 R CA 1.418 57.588 56.100 0.118 0.000 0.960 531 R CB 0.026 30.378 30.300 0.087 0.000 0.855 531 R HN 0.125 nan 8.270 nan 0.000 0.432 532 E N 0.480 120.721 120.200 0.068 0.000 2.268 532 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 532 E C 1.757 178.353 176.600 -0.008 0.000 0.995 532 E CA 1.308 57.728 56.400 0.035 0.000 0.836 532 E CB 0.159 29.872 29.700 0.021 0.000 0.763 532 E HN 0.410 nan 8.360 nan 0.000 0.491 533 Q N -1.314 118.465 119.800 -0.034 0.000 2.096 533 Q HA -0.073 4.266 4.340 -0.001 0.000 0.197 533 Q C 0.493 176.261 176.000 -0.386 0.000 0.964 533 Q CA 1.010 56.666 55.803 -0.246 0.000 0.838 533 Q CB 0.160 28.683 28.738 -0.359 0.000 0.906 533 Q HN 0.422 nan 8.270 nan 0.000 0.444 534 Y N -0.185 120.118 120.300 0.004 0.000 2.720 534 Y HA 0.203 4.752 4.550 -0.001 0.000 0.277 534 Y C 1.388 177.318 175.900 0.050 0.000 1.144 534 Y CA -0.398 57.712 58.100 0.017 0.000 1.221 534 Y CB 0.345 38.748 38.460 -0.094 0.000 1.163 534 Y HN -0.101 nan 8.280 nan 0.000 0.537 535 K N 1.285 121.765 120.400 0.134 0.000 2.160 535 K HA -0.225 4.095 4.320 -0.001 0.000 0.206 535 K C 0.431 177.109 176.600 0.130 0.000 1.047 535 K CA 1.514 57.874 56.287 0.121 0.000 0.930 535 K CB 0.042 32.588 32.500 0.076 0.000 0.720 535 K HN 0.359 nan 8.250 nan 0.000 0.450 536 N N -0.290 118.481 118.700 0.118 0.000 2.401 536 N HA 0.020 4.760 4.740 -0.001 0.000 0.264 536 N C 0.382 175.952 175.510 0.099 0.000 1.238 536 N CA -0.223 52.885 53.050 0.097 0.000 0.889 536 N CB 0.046 38.563 38.487 0.051 0.000 1.196 536 N HN 0.097 nan 8.380 nan 0.000 0.511 537 Y N -0.131 120.166 120.300 -0.006 0.000 2.263 537 Y HA -0.068 4.481 4.550 -0.001 0.000 0.292 537 Y C 0.329 176.125 175.900 -0.173 0.000 1.130 537 Y CA 1.600 59.633 58.100 -0.112 0.000 1.179 537 Y CB 0.147 38.480 38.460 -0.212 0.000 0.998 537 Y HN 0.184 nan 8.280 nan 0.000 0.532 538 Y N 0.538 120.936 120.300 0.163 0.000 2.571 538 Y HA 0.413 4.962 4.550 -0.001 0.000 0.275 538 Y C 1.096 176.950 175.900 -0.076 0.000 1.179 538 Y CA -0.210 57.921 58.100 0.051 0.000 1.242 538 Y CB 0.076 38.635 38.460 0.165 0.000 1.126 538 Y HN 0.184 nan 8.280 nan 0.000 0.524 539 G N 0.000 108.838 108.800 0.063 0.000 5.446 539 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 539 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 539 G CA 0.000 45.107 45.100 0.012 0.000 0.502 539 G HN 0.000 nan 8.290 nan 0.000 0.925