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 3gyc_1_B DATA FIRST_RESID 39 DATA SEQUENCE EISPRAITXW DFSWLERRWP GAGYEDWDQV LDELSERGYN AIRIDAYPHL DATA SEQUENCE IAENPXKKWL LKEVWNQQDW GSPDXNEVQV QPNLNLFLSK CKERDIKVGL DATA SEQUENCE SSWYRLDVDE VCLKLDTPEK LADCWLTILR SIEEDGLLDT ILYVDLCNEW DATA SEQUENCE PGDSWAPFFA KTYPNVGWGN WYKEESLRWX KTSLEKXRQV YPDXPFLYSF DATA SEQUENCE DHGDVKKYEE VDCSFLDLYE HHIWXAQQNG GEFYKLVGYG YNRFLPDDYK DATA SEQUENCE NVVKNAERVY RERPGYWQKL LTDKIELXAS VARKNRRPLV TTECWGLVDY DATA SEQUENCE KDWPLLKWDW VKDLCELGTI TAARTGXWVG VATSNFCGPQ FAGXWRDVEW DATA SEQUENCE HKRLTSIIRS SPLDESLTKN NEVAAKLLKR L 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 39 E HA 0.000 nan 4.350 nan 0.000 0.291 39 E C 0.000 176.587 176.600 -0.022 0.000 1.382 39 E CA 0.000 56.388 56.400 -0.021 0.000 0.976 39 E CB 0.000 29.688 29.700 -0.021 0.000 0.812 40 I N 1.804 122.360 120.570 -0.022 0.000 2.471 40 I HA 0.388 4.557 4.170 -0.001 0.000 0.286 40 I C 0.521 176.626 176.117 -0.020 0.000 1.079 40 I CA -0.322 60.964 61.300 -0.023 0.000 1.398 40 I CB 1.586 39.571 38.000 -0.025 0.000 1.403 40 I HN 0.444 nan 8.210 nan 0.000 0.530 41 S N 7.306 122.995 115.700 -0.019 0.000 2.509 41 S HA 0.480 4.949 4.470 -0.001 0.000 0.297 41 S C -2.312 172.283 174.600 -0.008 0.000 1.118 41 S CA -1.213 56.977 58.200 -0.016 0.000 1.074 41 S CB 1.704 64.891 63.200 -0.022 0.000 1.038 41 S HN 0.352 nan 8.310 nan 0.000 0.498 42 P HA 0.234 nan 4.420 nan 0.000 0.272 42 P C -0.490 176.819 177.300 0.016 0.000 1.223 42 P CA -0.395 62.718 63.100 0.023 0.000 0.784 42 P CB 0.514 32.242 31.700 0.046 0.000 0.923 43 R N 1.123 121.642 120.500 0.031 0.000 2.457 43 R HA 0.615 4.954 4.340 -0.001 0.000 0.284 43 R C -0.272 176.060 176.300 0.054 0.000 1.024 43 R CA -0.750 55.367 56.100 0.028 0.000 1.025 43 R CB 1.327 31.643 30.300 0.026 0.000 1.063 43 R HN 0.468 nan 8.270 nan 0.000 0.493 44 A N 4.178 127.024 122.820 0.043 0.000 2.279 44 A HA 0.348 4.667 4.320 -0.001 0.000 0.306 44 A C -0.153 177.566 177.584 0.226 0.000 1.300 44 A CA -0.429 51.662 52.037 0.089 0.000 0.925 44 A CB 0.117 19.068 19.000 -0.081 0.000 1.152 44 A HN 0.749 nan 8.150 nan 0.000 0.544 45 I N 2.043 122.755 120.570 0.237 0.000 2.648 45 I HA 0.656 4.826 4.170 -0.001 0.000 0.304 45 I C 0.312 176.491 176.117 0.103 0.000 1.009 45 I CA -0.112 61.280 61.300 0.152 0.000 1.114 45 I CB 2.289 40.351 38.000 0.103 0.000 1.293 45 I HN 0.643 nan 8.210 nan 0.000 0.449 49 D N 0.932 121.311 120.400 -0.035 0.000 3.793 49 D HA -0.349 4.290 4.640 -0.001 0.000 0.154 49 D C 0.881 176.998 176.300 -0.306 0.000 0.841 49 D CA 2.427 56.077 54.000 -0.583 0.000 0.960 49 D CB -1.621 38.438 40.800 -1.236 0.000 0.443 49 D HN 0.203 nan 8.370 nan 0.000 0.401 50 F N -1.570 118.129 119.950 -0.418 0.000 2.678 50 F HA 0.532 5.059 4.527 -0.001 0.000 0.305 50 F C 2.343 177.952 175.800 -0.318 0.000 1.090 50 F CA -0.005 57.824 58.000 -0.284 0.000 1.272 50 F CB 0.035 38.822 39.000 -0.355 0.000 1.060 50 F HN 0.031 nan 8.300 nan 0.000 0.576 51 S N 1.502 116.938 115.700 -0.440 0.000 2.428 51 S HA -0.121 4.348 4.470 -0.001 0.000 0.230 51 S C 1.779 175.856 174.600 -0.872 0.000 1.014 51 S CA 1.061 58.916 58.200 -0.575 0.000 0.957 51 S CB -0.594 62.190 63.200 -0.694 0.000 0.784 51 S HN 0.771 nan 8.310 nan 0.000 0.499 52 W N 1.294 122.171 121.300 -0.704 0.000 2.363 52 W HA -0.008 4.652 4.660 -0.001 0.000 0.296 52 W C 1.499 177.986 176.519 -0.052 0.000 1.212 52 W CA 0.459 57.482 57.345 -0.537 0.000 1.260 52 W CB -0.930 28.138 29.460 -0.653 0.000 1.131 52 W HN 0.315 nan 8.180 nan 0.000 0.530 53 L N 0.970 121.496 121.223 -1.163 0.000 2.357 53 L HA 0.142 4.481 4.340 -0.001 0.000 0.211 53 L C 2.436 179.074 176.870 -0.386 0.000 1.075 53 L CA 1.674 55.969 54.840 -0.908 0.000 0.830 53 L CB -0.469 40.634 42.059 -1.594 0.000 0.996 53 L HN -0.173 nan 8.230 nan 0.000 0.467 54 E N -0.426 119.604 120.200 -0.285 0.000 2.140 54 E HA 0.034 4.383 4.350 -0.001 0.000 0.191 54 E C 0.572 177.164 176.600 -0.014 0.000 0.973 54 E CA 0.151 56.528 56.400 -0.037 0.000 0.829 54 E CB 0.160 29.942 29.700 0.136 0.000 0.781 54 E HN 0.300 nan 8.360 nan 0.000 0.466 55 R N 1.644 122.009 120.500 -0.225 0.000 4.164 55 R HA 0.197 4.536 4.340 -0.001 0.000 0.195 55 R C 0.291 176.305 176.300 -0.478 0.000 1.712 55 R CA 0.125 55.898 56.100 -0.545 0.000 1.457 55 R CB 0.061 30.102 30.300 -0.433 0.000 1.387 55 R HN 0.027 nan 8.270 nan 0.000 0.785 56 R N 0.487 120.777 120.500 -0.350 0.000 2.590 56 R HA 0.070 4.410 4.340 -0.001 0.000 0.410 56 R C -0.402 175.833 176.300 -0.108 0.000 1.010 56 R CA -0.442 55.523 56.100 -0.225 0.000 1.155 56 R CB 0.366 30.575 30.300 -0.152 0.000 1.455 56 R HN 0.295 nan 8.270 nan 0.000 0.567 57 W N 1.476 122.753 121.300 -0.038 0.000 2.141 57 W HA 0.476 5.136 4.660 -0.001 0.000 0.354 57 W C -2.547 173.948 176.519 -0.040 0.000 1.297 57 W CA -2.868 54.455 57.345 -0.035 0.000 1.380 57 W CB -0.638 28.809 29.460 -0.022 0.000 1.168 57 W HN -0.283 nan 8.180 nan 0.000 0.639 58 P HA 0.133 nan 4.420 nan 0.000 0.262 58 P C 0.835 178.137 177.300 0.004 0.000 1.199 58 P CA 2.220 65.359 63.100 0.065 0.000 0.763 58 P CB 0.423 32.186 31.700 0.105 0.000 0.790 59 G N 3.587 112.318 108.800 -0.116 0.000 2.184 59 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.264 59 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.264 59 G C 1.141 175.870 174.900 -0.286 0.000 0.975 59 G CA 0.345 45.357 45.100 -0.147 0.000 0.642 59 G HN 0.650 nan 8.290 nan 0.000 0.536 60 A N -0.763 121.714 122.820 -0.572 0.000 2.067 60 A HA 0.467 4.786 4.320 -0.001 0.000 0.219 60 A C 2.819 180.077 177.584 -0.544 0.000 1.158 60 A CA 2.479 54.000 52.037 -0.861 0.000 0.661 60 A CB -0.383 17.386 19.000 -2.051 0.000 0.801 60 A HN 2.498 nan 8.150 nan 0.000 0.452 61 G N -3.082 105.439 108.800 -0.465 0.000 2.428 61 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.199 61 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.199 61 G C 0.397 174.846 174.900 -0.751 0.000 1.005 61 G CA 0.269 45.009 45.100 -0.599 0.000 0.671 61 G HN 0.499 nan 8.290 nan 0.000 0.485 62 Y N 1.468 121.552 120.300 -0.359 0.000 2.706 62 Y HA 0.444 4.993 4.550 -0.001 0.000 0.255 62 Y C 1.826 177.612 175.900 -0.190 0.000 1.163 62 Y CA 0.190 58.171 58.100 -0.199 0.000 1.174 62 Y CB 0.424 38.802 38.460 -0.136 0.000 1.200 62 Y HN 0.367 nan 8.280 nan 0.000 0.544 63 E N 0.482 120.582 120.200 -0.167 0.000 2.077 63 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 63 E C 0.319 176.769 176.600 -0.250 0.000 0.989 63 E CA 1.277 57.545 56.400 -0.221 0.000 0.800 63 E CB 0.180 29.771 29.700 -0.181 0.000 0.746 63 E HN 0.147 nan 8.360 nan 0.000 0.452 64 D N -0.834 119.487 120.400 -0.132 0.000 2.477 64 D HA -0.004 4.635 4.640 -0.001 0.000 0.239 64 D C 0.115 176.501 176.300 0.144 0.000 1.102 64 D CA -0.477 53.495 54.000 -0.046 0.000 0.901 64 D CB 0.168 40.958 40.800 -0.017 0.000 1.026 64 D HN 0.051 nan 8.370 nan 0.000 0.515 65 W N 2.212 123.610 121.300 0.162 0.000 2.363 65 W HA -0.106 4.554 4.660 -0.001 0.000 0.296 65 W C 1.468 178.105 176.519 0.197 0.000 1.212 65 W CA 0.354 57.859 57.345 0.266 0.000 1.260 65 W CB -0.584 29.109 29.460 0.389 0.000 1.131 65 W HN 0.463 nan 8.180 nan 0.000 0.530 66 D N -0.293 120.315 120.400 0.347 0.000 2.104 66 D HA -0.220 4.419 4.640 -0.001 0.000 0.194 66 D C 2.012 178.429 176.300 0.195 0.000 0.994 66 D CA 1.752 55.885 54.000 0.222 0.000 0.830 66 D CB -0.579 40.310 40.800 0.150 0.000 0.959 66 D HN 0.311 nan 8.370 nan 0.000 0.452 67 Q N 0.934 120.835 119.800 0.168 0.000 2.050 67 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 67 Q C 2.371 178.495 176.000 0.207 0.000 0.980 67 Q CA 2.120 58.006 55.803 0.138 0.000 0.840 67 Q CB 0.079 28.870 28.738 0.088 0.000 0.898 67 Q HN 0.275 nan 8.270 nan 0.000 0.424 68 V N -1.503 118.556 119.914 0.241 0.000 2.548 68 V HA -0.167 3.953 4.120 -0.001 0.000 0.249 68 V C 2.256 178.677 176.094 0.545 0.000 1.055 68 V CA 1.237 63.726 62.300 0.315 0.000 1.065 68 V CB -0.740 31.094 31.823 0.018 0.000 0.681 68 V HN 0.306 nan 8.190 nan 0.000 0.462 69 L N 0.258 121.765 121.223 0.473 0.000 2.046 69 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 69 L C 2.648 179.662 176.870 0.240 0.000 1.077 69 L CA 1.973 57.018 54.840 0.342 0.000 0.747 69 L CB -0.840 41.322 42.059 0.173 0.000 0.896 69 L HN 0.294 nan 8.230 nan 0.000 0.432 70 D N 0.152 120.675 120.400 0.204 0.000 2.104 70 D HA -0.196 4.443 4.640 -0.001 0.000 0.194 70 D C 2.116 178.512 176.300 0.160 0.000 0.994 70 D CA 1.273 55.361 54.000 0.145 0.000 0.830 70 D CB -0.075 40.795 40.800 0.117 0.000 0.959 70 D HN 0.397 nan 8.370 nan 0.000 0.452 71 E N -0.033 120.311 120.200 0.241 0.000 2.110 71 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 71 E C 2.076 178.797 176.600 0.202 0.000 0.988 71 E CA 0.204 56.741 56.400 0.228 0.000 0.804 71 E CB -0.083 29.866 29.700 0.415 0.000 0.745 71 E HN 0.097 nan 8.360 nan 0.000 0.458 72 L N 0.973 122.459 121.223 0.437 0.000 2.042 72 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 72 L C 2.128 179.123 176.870 0.208 0.000 1.076 72 L CA 1.814 56.895 54.840 0.401 0.000 0.749 72 L CB -0.409 41.876 42.059 0.376 0.000 0.893 72 L HN -0.062 nan 8.230 nan 0.000 0.432 73 S N -0.854 114.925 115.700 0.133 0.000 2.368 73 S HA -0.209 4.261 4.470 -0.001 0.000 0.224 73 S C 1.845 176.458 174.600 0.023 0.000 1.029 73 S CA 1.200 59.436 58.200 0.062 0.000 0.988 73 S CB -0.348 62.876 63.200 0.041 0.000 0.838 73 S HN 0.589 nan 8.310 nan 0.000 0.462 74 E N 1.303 121.514 120.200 0.019 0.000 2.130 74 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 74 E C 1.905 178.478 176.600 -0.045 0.000 0.998 74 E CA 0.982 57.373 56.400 -0.016 0.000 0.806 74 E CB -0.013 29.675 29.700 -0.019 0.000 0.738 74 E HN 0.375 nan 8.360 nan 0.000 0.459 75 R N -1.278 119.185 120.500 -0.062 0.000 2.276 75 R HA 0.025 4.364 4.340 -0.001 0.000 0.203 75 R C 1.390 177.612 176.300 -0.129 0.000 1.017 75 R CA 0.596 56.656 56.100 -0.067 0.000 1.010 75 R CB 0.258 30.468 30.300 -0.149 0.000 0.900 75 R HN 0.372 nan 8.270 nan 0.000 0.469 76 G N -0.735 107.995 108.800 -0.116 0.000 2.157 76 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.239 76 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.239 76 G C -0.322 174.407 174.900 -0.285 0.000 0.982 76 G CA -0.423 44.556 45.100 -0.202 0.000 0.650 76 G HN 0.238 nan 8.290 nan 0.000 0.527 77 Y N 0.856 121.143 120.300 -0.021 0.000 2.304 77 Y HA 0.470 5.019 4.550 -0.001 0.000 0.327 77 Y C 1.292 177.162 175.900 -0.050 0.000 1.209 77 Y CA 0.083 58.170 58.100 -0.021 0.000 1.299 77 Y CB 1.024 39.479 38.460 -0.008 0.000 1.249 77 Y HN 0.274 nan 8.280 nan 0.000 0.519 78 N N -0.000 118.747 118.700 0.078 0.000 2.232 78 N HA 0.442 5.181 4.740 -0.001 0.000 0.240 78 N C -1.115 174.377 175.510 -0.030 0.000 1.307 78 N CA -0.084 52.966 53.050 -0.000 0.000 0.859 78 N CB 0.522 38.995 38.487 -0.024 0.000 1.260 78 N HN 0.493 nan 8.380 nan 0.000 0.501 79 A N 0.338 123.146 122.820 -0.021 0.000 2.549 79 A HA 0.808 5.127 4.320 -0.001 0.000 0.297 79 A C -1.466 176.036 177.584 -0.136 0.000 1.061 79 A CA -0.671 51.322 52.037 -0.073 0.000 0.690 79 A CB 1.305 20.291 19.000 -0.023 0.000 1.287 79 A HN 0.162 nan 8.150 nan 0.000 0.402 80 I N 0.717 121.168 120.570 -0.198 0.000 2.647 80 I HA 0.542 4.712 4.170 -0.001 0.000 0.295 80 I C -0.035 175.973 176.117 -0.182 0.000 1.078 80 I CA -0.649 60.495 61.300 -0.261 0.000 1.048 80 I CB 2.279 40.056 38.000 -0.371 0.000 1.239 80 I HN 0.760 nan 8.210 nan 0.000 0.421 81 R N 6.768 127.200 120.500 -0.113 0.000 2.338 81 R HA 0.764 5.103 4.340 -0.001 0.000 0.317 81 R C -1.246 175.071 176.300 0.028 0.000 0.968 81 R CA -0.390 55.679 56.100 -0.051 0.000 0.849 81 R CB 1.242 31.582 30.300 0.067 0.000 1.128 81 R HN 0.781 nan 8.270 nan 0.000 0.448 82 I N -0.506 120.070 120.570 0.010 0.000 3.042 82 I HA 0.459 4.629 4.170 -0.001 0.000 0.310 82 I C -1.000 175.282 176.117 0.276 0.000 1.117 82 I CA -1.205 60.135 61.300 0.067 0.000 1.003 82 I CB 2.204 39.962 38.000 -0.403 0.000 1.228 82 I HN 0.417 nan 8.210 nan 0.000 0.443 83 D N 2.902 123.584 120.400 0.470 0.000 2.317 83 D HA 0.395 5.035 4.640 -0.001 0.000 0.252 83 D C 0.608 177.169 176.300 0.435 0.000 1.174 83 D CA -0.020 54.257 54.000 0.461 0.000 0.866 83 D CB 2.019 42.988 40.800 0.281 0.000 1.127 83 D HN 0.733 nan 8.370 nan 0.000 0.467 84 A N 3.973 126.959 122.820 0.276 0.000 2.251 84 A HA -0.003 4.316 4.320 -0.001 0.000 0.209 84 A C 0.233 177.969 177.584 0.253 0.000 1.187 84 A CA -0.138 52.048 52.037 0.248 0.000 0.823 84 A CB -0.583 18.468 19.000 0.085 0.000 0.846 84 A HN 0.692 nan 8.150 nan 0.000 0.486 85 Y N -1.715 118.588 120.300 0.005 0.000 3.054 85 Y HA -0.214 4.335 4.550 -0.001 0.000 0.210 85 Y C -1.072 174.646 175.900 -0.303 0.000 1.212 85 Y CA 0.355 58.373 58.100 -0.137 0.000 1.118 85 Y CB -1.954 36.382 38.460 -0.208 0.000 1.292 85 Y HN 0.437 nan 8.280 nan 0.000 0.533 86 P HA -0.275 nan 4.420 nan 0.000 0.218 86 P C 1.529 178.694 177.300 -0.225 0.000 1.148 86 P CA 2.543 65.366 63.100 -0.462 0.000 0.822 86 P CB -0.108 30.861 31.700 -1.218 0.000 0.784 87 H N -0.035 118.907 119.070 -0.213 0.000 2.387 87 H HA -0.004 4.551 4.556 -0.001 0.000 0.299 87 H C 2.034 177.247 175.328 -0.191 0.000 1.090 87 H CA 0.852 56.834 56.048 -0.111 0.000 1.332 87 H CB -1.389 28.393 29.762 0.034 0.000 1.386 87 H HN 0.155 nan 8.280 nan 0.000 0.516 88 L N 0.161 120.876 121.223 -0.847 0.000 2.095 88 L HA -0.020 4.319 4.340 -0.001 0.000 0.204 88 L C 2.922 179.652 176.870 -0.234 0.000 1.080 88 L CA 0.787 55.078 54.840 -0.914 0.000 0.759 88 L CB -0.343 40.900 42.059 -1.360 0.000 0.914 88 L HN 0.131 nan 8.230 nan 0.000 0.439 89 I N 0.521 120.994 120.570 -0.162 0.000 2.226 89 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 89 I C 2.818 178.950 176.117 0.024 0.000 1.100 89 I CA 1.220 62.514 61.300 -0.010 0.000 1.374 89 I CB -0.412 37.570 38.000 -0.030 0.000 1.057 89 I HN 0.193 nan 8.210 nan 0.000 0.413 90 A N 0.072 122.881 122.820 -0.018 0.000 1.969 90 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 90 A C 2.267 179.894 177.584 0.072 0.000 1.169 90 A CA 1.360 53.409 52.037 0.019 0.000 0.635 90 A CB -0.320 18.678 19.000 -0.003 0.000 0.810 90 A HN 0.349 nan 8.150 nan 0.000 0.445 91 E N -0.743 119.526 120.200 0.115 0.000 2.033 91 E HA -0.058 4.292 4.350 -0.001 0.000 0.189 91 E C -0.024 176.719 176.600 0.237 0.000 0.979 91 E CA 0.742 57.267 56.400 0.209 0.000 0.802 91 E CB 0.034 29.950 29.700 0.359 0.000 0.763 91 E HN 0.495 nan 8.360 nan 0.000 0.449 92 N N 0.160 119.061 118.700 0.334 0.000 2.969 92 N HA 0.147 4.886 4.740 -0.001 0.000 0.230 92 N C -2.914 172.756 175.510 0.266 0.000 1.397 92 N CA -1.182 52.005 53.050 0.228 0.000 0.762 92 N CB 1.105 39.648 38.487 0.094 0.000 1.495 92 N HN -0.237 nan 8.380 nan 0.000 0.583 96 K N 3.029 123.241 120.400 -0.314 0.000 2.231 96 K HA 0.163 4.483 4.320 -0.001 0.000 0.275 96 K C -1.104 175.376 176.600 -0.200 0.000 1.105 96 K CA -0.322 55.868 56.287 -0.163 0.000 0.931 96 K CB 0.301 32.744 32.500 -0.096 0.000 1.296 96 K HN 0.285 nan 8.250 nan 0.000 0.446 97 W N 3.568 124.836 121.300 -0.054 0.000 2.287 97 W HA 0.173 4.832 4.660 -0.001 0.000 0.313 97 W C 0.097 176.601 176.519 -0.026 0.000 1.267 97 W CA -0.810 56.511 57.345 -0.039 0.000 1.201 97 W CB 0.401 29.827 29.460 -0.058 0.000 1.196 97 W HN 0.294 nan 8.180 nan 0.000 0.536 98 L N 5.650 127.003 121.223 0.217 0.000 2.261 98 L HA 0.458 4.798 4.340 -0.001 0.000 0.289 98 L C -0.768 176.197 176.870 0.160 0.000 1.059 98 L CA -0.446 54.475 54.840 0.135 0.000 0.816 98 L CB -0.131 41.977 42.059 0.080 0.000 1.191 98 L HN 0.298 nan 8.230 nan 0.000 0.431 99 L N 5.227 126.525 121.223 0.125 0.000 2.309 99 L HA 0.506 4.846 4.340 -0.001 0.000 0.282 99 L C 0.140 177.054 176.870 0.073 0.000 1.036 99 L CA -0.817 54.087 54.840 0.106 0.000 0.806 99 L CB 1.305 43.420 42.059 0.094 0.000 1.220 99 L HN 0.529 nan 8.230 nan 0.000 0.429 100 K N 2.575 123.013 120.400 0.065 0.000 2.174 100 K HA 0.187 4.507 4.320 -0.001 0.000 0.275 100 K C -0.169 176.457 176.600 0.043 0.000 1.015 100 K CA -0.722 55.598 56.287 0.054 0.000 0.933 100 K CB 1.065 33.596 32.500 0.053 0.000 1.025 100 K HN 0.498 nan 8.250 nan 0.000 0.463 101 E N 2.520 122.765 120.200 0.075 0.000 2.383 101 E HA -0.010 4.339 4.350 -0.001 0.000 0.264 101 E C 0.425 177.059 176.600 0.058 0.000 1.050 101 E CA -0.147 56.297 56.400 0.072 0.000 0.896 101 E CB 0.936 30.735 29.700 0.164 0.000 0.982 101 E HN 0.249 nan 8.360 nan 0.000 0.424 102 V N 1.004 120.793 119.914 -0.209 0.000 2.488 102 V HA -0.034 4.086 4.120 -0.001 0.000 0.246 102 V C 0.225 176.172 176.094 -0.245 0.000 1.046 102 V CA 1.760 63.839 62.300 -0.368 0.000 1.053 102 V CB -1.045 30.168 31.823 -1.016 0.000 0.679 102 V HN 0.770 nan 8.190 nan 0.000 0.458 103 W N -0.707 120.595 121.300 0.003 0.000 3.059 103 W HA 0.513 5.172 4.660 -0.001 0.000 0.329 103 W C -0.347 176.059 176.519 -0.187 0.000 1.246 103 W CA -0.869 56.196 57.345 -0.468 0.000 1.190 103 W CB -0.174 29.166 29.460 -0.199 0.000 1.423 103 W HN -0.044 nan 8.180 nan 0.000 0.571 104 N N -0.752 117.972 118.700 0.041 0.000 2.177 104 N HA 0.030 4.770 4.740 -0.001 0.000 0.218 104 N C 0.650 176.221 175.510 0.101 0.000 1.182 104 N CA -0.045 53.121 53.050 0.192 0.000 0.882 104 N CB 0.156 38.794 38.487 0.251 0.000 1.052 104 N HN 0.478 nan 8.380 nan 0.000 0.519 105 Q N -0.283 119.534 119.800 0.029 0.000 2.384 105 Q HA 0.224 4.564 4.340 -0.001 0.000 0.207 105 Q C -0.214 175.691 176.000 -0.158 0.000 0.904 105 Q CA 0.540 56.313 55.803 -0.049 0.000 0.933 105 Q CB 0.647 29.398 28.738 0.022 0.000 1.077 105 Q HN 0.449 nan 8.270 nan 0.000 0.522 106 Q N 0.011 119.645 119.800 -0.276 0.000 2.351 106 Q HA 0.244 4.584 4.340 -0.001 0.000 0.273 106 Q C -0.354 175.494 176.000 -0.252 0.000 1.077 106 Q CA -0.318 55.210 55.803 -0.458 0.000 0.843 106 Q CB 1.131 29.299 28.738 -0.950 0.000 1.367 106 Q HN -0.066 nan 8.270 nan 0.000 0.449 107 D N -0.053 120.118 120.400 -0.382 0.000 2.388 107 D HA 0.100 4.740 4.640 -0.001 0.000 0.221 107 D C -0.485 175.638 176.300 -0.294 0.000 1.133 107 D CA 0.133 53.938 54.000 -0.324 0.000 0.831 107 D CB 0.431 40.899 40.800 -0.553 0.000 0.962 107 D HN 0.311 nan 8.370 nan 0.000 0.502 108 W N 1.473 122.913 121.300 0.233 0.000 2.316 108 W HA 0.449 5.108 4.660 -0.001 0.000 0.311 108 W C 1.320 178.061 176.519 0.370 0.000 1.217 108 W CA -0.408 57.044 57.345 0.178 0.000 1.199 108 W CB 0.591 30.120 29.460 0.116 0.000 1.202 108 W HN 0.078 nan 8.180 nan 0.000 0.528 109 G N 2.077 111.069 108.800 0.321 0.000 2.552 109 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.265 109 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.265 109 G C -0.520 174.701 174.900 0.535 0.000 1.234 109 G CA -0.314 45.088 45.100 0.503 0.000 0.944 109 G HN 0.471 nan 8.290 nan 0.000 0.568 110 S N 2.575 118.571 115.700 0.493 0.000 2.462 110 S HA 0.616 5.085 4.470 -0.001 0.000 0.294 110 S C -1.306 173.467 174.600 0.287 0.000 1.144 110 S CA -0.355 58.081 58.200 0.393 0.000 1.088 110 S CB 2.356 65.704 63.200 0.245 0.000 1.009 110 S HN 0.698 nan 8.310 nan 0.000 0.484 111 P HA 0.269 nan 4.420 nan 0.000 0.257 111 P C -0.379 176.993 177.300 0.122 0.000 1.281 111 P CA 0.543 63.761 63.100 0.198 0.000 0.826 111 P CB 0.171 31.960 31.700 0.148 0.000 1.237 115 E N 0.563 120.794 120.200 0.052 0.000 2.199 115 E HA 0.608 4.958 4.350 -0.001 0.000 0.269 115 E C -0.784 175.835 176.600 0.032 0.000 0.899 115 E CA -1.004 55.425 56.400 0.050 0.000 0.772 115 E CB 2.354 32.071 29.700 0.028 0.000 1.155 115 E HN 0.403 nan 8.360 nan 0.000 0.408 116 V N 0.113 120.045 119.914 0.030 0.000 2.876 116 V HA 0.504 4.624 4.120 -0.001 0.000 0.312 116 V C -0.903 175.199 176.094 0.013 0.000 1.085 116 V CA -0.931 61.341 62.300 -0.046 0.000 0.945 116 V CB 1.909 33.602 31.823 -0.217 0.000 1.017 116 V HN 0.721 nan 8.190 nan 0.000 0.428 117 Q N 1.897 121.686 119.800 -0.019 0.000 2.357 117 Q HA 0.533 4.872 4.340 -0.001 0.000 0.266 117 Q C -0.129 175.872 176.000 0.002 0.000 1.021 117 Q CA -0.618 55.208 55.803 0.038 0.000 0.784 117 Q CB 2.082 30.839 28.738 0.030 0.000 1.243 117 Q HN 0.803 nan 8.270 nan 0.000 0.465 118 V N 2.415 122.331 119.914 0.004 0.000 2.323 118 V HA -0.109 4.010 4.120 -0.001 0.000 0.244 118 V C 0.723 176.885 176.094 0.114 0.000 1.041 118 V CA 1.293 63.571 62.300 -0.036 0.000 1.025 118 V CB -0.162 31.598 31.823 -0.105 0.000 0.656 118 V HN 0.694 nan 8.190 nan 0.000 0.451 119 Q N 0.311 120.181 119.800 0.115 0.000 2.309 119 Q HA 0.327 4.666 4.340 -0.001 0.000 0.264 119 Q C -2.106 173.963 176.000 0.116 0.000 1.008 119 Q CA -1.994 53.887 55.803 0.130 0.000 0.853 119 Q CB 1.677 30.479 28.738 0.107 0.000 1.314 119 Q HN 0.202 nan 8.270 nan 0.000 0.448 120 P HA 0.042 nan 4.420 nan 0.000 0.255 120 P C 0.363 177.804 177.300 0.235 0.000 1.301 120 P CA 0.176 63.368 63.100 0.154 0.000 0.817 120 P CB 0.549 32.325 31.700 0.127 0.000 1.259 121 N N 0.455 119.334 118.700 0.298 0.000 2.104 121 N HA -0.147 4.592 4.740 -0.001 0.000 0.190 121 N C 1.650 177.473 175.510 0.522 0.000 1.024 121 N CA 0.847 54.209 53.050 0.519 0.000 0.853 121 N CB -0.831 37.990 38.487 0.557 0.000 1.008 121 N HN 0.163 nan 8.380 nan 0.000 0.424 122 L N 1.663 123.132 121.223 0.408 0.000 1.994 122 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 122 L C 1.497 178.431 176.870 0.107 0.000 1.071 122 L CA 1.771 56.756 54.840 0.243 0.000 0.745 122 L CB -1.003 41.190 42.059 0.224 0.000 0.892 122 L HN 0.042 nan 8.230 nan 0.000 0.431 123 N N -0.600 118.173 118.700 0.121 0.000 2.166 123 N HA -0.186 4.553 4.740 -0.001 0.000 0.186 123 N C 1.673 177.235 175.510 0.087 0.000 1.019 123 N CA 1.452 54.548 53.050 0.076 0.000 0.856 123 N CB -0.536 37.996 38.487 0.075 0.000 0.993 123 N HN 0.319 nan 8.380 nan 0.000 0.426 124 L N -0.201 121.127 121.223 0.175 0.000 2.017 124 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 124 L C 1.923 178.885 176.870 0.154 0.000 1.073 124 L CA 1.489 56.464 54.840 0.225 0.000 0.745 124 L CB -0.981 41.315 42.059 0.394 0.000 0.894 124 L HN 0.123 nan 8.230 nan 0.000 0.432 125 F N -0.409 119.463 119.950 -0.130 0.000 2.102 125 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 125 F C 2.153 177.763 175.800 -0.316 0.000 1.105 125 F CA 1.764 59.484 58.000 -0.467 0.000 1.239 125 F CB -0.274 38.137 39.000 -0.981 0.000 0.991 125 F HN 0.051 nan 8.300 nan 0.000 0.474 126 L N -0.111 121.010 121.223 -0.171 0.000 2.079 126 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 126 L C 2.728 179.478 176.870 -0.200 0.000 1.081 126 L CA 1.513 56.230 54.840 -0.206 0.000 0.752 126 L CB -1.042 40.953 42.059 -0.107 0.000 0.896 126 L HN 0.335 nan 8.230 nan 0.000 0.433 127 S N -0.251 115.376 115.700 -0.122 0.000 2.368 127 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 127 S C 1.926 176.457 174.600 -0.115 0.000 1.029 127 S CA 0.815 58.967 58.200 -0.081 0.000 0.988 127 S CB -0.259 62.934 63.200 -0.012 0.000 0.838 127 S HN 0.366 nan 8.310 nan 0.000 0.462 128 K N 0.338 120.642 120.400 -0.160 0.000 2.147 128 K HA 0.005 4.324 4.320 -0.001 0.000 0.205 128 K C 2.346 178.801 176.600 -0.243 0.000 1.049 128 K CA 1.356 57.545 56.287 -0.164 0.000 0.936 128 K CB -0.559 31.853 32.500 -0.147 0.000 0.722 128 K HN 0.457 nan 8.250 nan 0.000 0.446 129 C N 0.966 120.037 119.300 -0.381 0.000 2.453 129 C HA -0.068 4.392 4.460 -0.001 0.000 0.277 129 C C 2.571 177.441 174.990 -0.200 0.000 1.262 129 C CA 0.514 59.329 59.018 -0.338 0.000 1.718 129 C CB -0.468 27.023 27.740 -0.416 0.000 2.031 129 C HN 0.488 nan 8.230 nan 0.000 0.480 130 K N 1.129 121.428 120.400 -0.168 0.000 2.103 130 K HA -0.203 4.117 4.320 -0.001 0.000 0.207 130 K C 1.806 178.357 176.600 -0.083 0.000 1.048 130 K CA 1.653 57.873 56.287 -0.111 0.000 0.930 130 K CB -0.174 32.273 32.500 -0.090 0.000 0.716 130 K HN 0.547 nan 8.250 nan 0.000 0.444 131 E N -0.174 119.979 120.200 -0.077 0.000 2.204 131 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 131 E C 1.351 177.922 176.600 -0.049 0.000 0.990 131 E CA 0.962 57.332 56.400 -0.050 0.000 0.821 131 E CB 0.100 29.779 29.700 -0.035 0.000 0.750 131 E HN 0.256 nan 8.360 nan 0.000 0.477 132 R N 0.698 121.157 120.500 -0.068 0.000 2.466 132 R HA 0.019 4.359 4.340 -0.001 0.000 0.279 132 R C -0.249 176.014 176.300 -0.062 0.000 0.976 132 R CA 0.055 56.121 56.100 -0.057 0.000 1.081 132 R CB 0.306 30.571 30.300 -0.058 0.000 1.215 132 R HN -0.007 nan 8.270 nan 0.000 0.546 133 D N 1.188 121.548 120.400 -0.067 0.000 2.701 133 D HA -0.205 4.435 4.640 -0.001 0.000 0.235 133 D C -0.905 175.347 176.300 -0.080 0.000 1.155 133 D CA 0.717 54.677 54.000 -0.067 0.000 0.649 133 D CB -0.934 39.835 40.800 -0.051 0.000 1.050 133 D HN 0.323 nan 8.370 nan 0.000 0.425 134 I N 0.419 120.924 120.570 -0.108 0.000 2.331 134 I HA 0.226 4.396 4.170 -0.001 0.000 0.292 134 I C 0.846 176.876 176.117 -0.144 0.000 0.998 134 I CA -0.856 60.367 61.300 -0.128 0.000 1.267 134 I CB 1.185 39.082 38.000 -0.172 0.000 1.386 134 I HN -0.190 nan 8.210 nan 0.000 0.476 135 K N 4.578 124.903 120.400 -0.126 0.000 2.118 135 K HA 0.592 4.912 4.320 -0.001 0.000 0.264 135 K C -0.943 175.554 176.600 -0.173 0.000 1.000 135 K CA -0.419 55.786 56.287 -0.136 0.000 0.929 135 K CB 1.499 33.937 32.500 -0.104 0.000 1.021 135 K HN 0.271 nan 8.250 nan 0.000 0.463 136 V N 1.573 121.364 119.914 -0.206 0.000 2.483 136 V HA 0.482 4.602 4.120 -0.001 0.000 0.297 136 V C 0.105 175.978 176.094 -0.369 0.000 1.027 136 V CA -1.193 60.959 62.300 -0.248 0.000 0.855 136 V CB 1.791 33.487 31.823 -0.211 0.000 0.995 136 V HN 0.796 nan 8.190 nan 0.000 0.424 137 G N 5.144 113.640 108.800 -0.506 0.000 2.320 137 G HA2 0.609 4.568 3.960 -0.001 0.000 0.300 137 G HA3 0.609 4.568 3.960 -0.001 0.000 0.300 137 G C -0.606 173.955 174.900 -0.566 0.000 1.126 137 G CA -0.415 44.064 45.100 -1.035 0.000 0.896 137 G HN 0.598 nan 8.290 nan 0.000 0.436 138 L N 2.017 122.979 121.223 -0.435 0.000 2.307 138 L HA 0.643 4.983 4.340 -0.001 0.000 0.282 138 L C 0.593 177.467 176.870 0.006 0.000 1.051 138 L CA -0.414 54.380 54.840 -0.078 0.000 0.804 138 L CB 1.659 43.785 42.059 0.110 0.000 1.197 138 L HN 0.578 nan 8.230 nan 0.000 0.431 139 S N 1.063 116.866 115.700 0.171 0.000 2.840 139 S HA 0.749 5.219 4.470 -0.001 0.000 0.307 139 S C -1.319 173.430 174.600 0.249 0.000 1.180 139 S CA -0.439 57.826 58.200 0.108 0.000 0.846 139 S CB 2.143 65.288 63.200 -0.091 0.000 1.233 139 S HN 0.587 nan 8.310 nan 0.000 0.548 140 S N -0.430 115.271 115.700 0.002 0.000 2.537 140 S HA 0.543 5.012 4.470 -0.001 0.000 0.271 140 S C -1.341 173.126 174.600 -0.223 0.000 1.148 140 S CA -0.506 57.639 58.200 -0.091 0.000 0.868 140 S CB 0.800 63.684 63.200 -0.527 0.000 1.115 140 S HN 0.795 nan 8.310 nan 0.000 0.461 141 W N 2.112 123.304 121.300 -0.179 0.000 3.127 141 W HA 0.201 4.860 4.660 -0.001 0.000 0.344 141 W C -0.442 176.197 176.519 0.200 0.000 1.151 141 W CA -0.413 56.925 57.345 -0.011 0.000 1.765 141 W CB -0.080 29.281 29.460 -0.165 0.000 1.085 141 W HN 0.952 nan 8.180 nan 0.000 0.596 142 Y N 1.075 121.479 120.300 0.173 0.000 3.001 142 Y HA -0.265 4.284 4.550 -0.001 0.000 0.199 142 Y C 0.881 176.754 175.900 -0.045 0.000 1.320 142 Y CA 0.076 58.075 58.100 -0.169 0.000 0.974 142 Y CB -2.064 36.397 38.460 0.002 0.000 1.291 142 Y HN -0.191 nan 8.280 nan 0.000 0.465 143 R N 1.063 121.623 120.500 0.101 0.000 2.583 143 R HA 0.110 4.449 4.340 -0.001 0.000 0.274 143 R C 0.183 176.606 176.300 0.205 0.000 0.998 143 R CA -0.058 56.086 56.100 0.074 0.000 1.081 143 R CB 0.261 30.536 30.300 -0.041 0.000 0.940 143 R HN 0.450 nan 8.270 nan 0.000 0.413 144 L N 5.212 126.505 121.223 0.117 0.000 2.295 144 L HA 0.068 4.407 4.340 -0.001 0.000 0.288 144 L C 1.118 178.065 176.870 0.128 0.000 1.079 144 L CA -0.387 54.531 54.840 0.130 0.000 0.830 144 L CB 0.379 42.493 42.059 0.092 0.000 1.200 144 L HN 0.607 nan 8.230 nan 0.000 0.438 145 D N 2.848 123.344 120.400 0.160 0.000 2.398 145 D HA 0.003 4.642 4.640 -0.001 0.000 0.247 145 D C 1.359 177.764 176.300 0.175 0.000 1.227 145 D CA -0.457 53.662 54.000 0.199 0.000 0.980 145 D CB 1.492 42.484 40.800 0.319 0.000 1.106 145 D HN 0.281 nan 8.370 nan 0.000 0.493 146 V N -2.122 117.895 119.914 0.171 0.000 2.594 146 V HA -0.185 3.934 4.120 -0.001 0.000 0.253 146 V C 0.998 177.167 176.094 0.124 0.000 1.069 146 V CA 1.614 63.987 62.300 0.121 0.000 1.082 146 V CB -0.587 31.292 31.823 0.094 0.000 0.680 146 V HN 0.432 nan 8.190 nan 0.000 0.469 147 D N -0.000 120.502 120.400 0.170 0.000 2.349 147 D HA 0.099 4.738 4.640 -0.001 0.000 0.214 147 D C 0.482 176.878 176.300 0.159 0.000 1.063 147 D CA 0.342 54.436 54.000 0.156 0.000 0.847 147 D CB -0.067 40.841 40.800 0.180 0.000 0.933 147 D HN 0.712 nan 8.370 nan 0.000 0.513 148 E N 0.351 120.649 120.200 0.163 0.000 2.210 148 E HA -0.179 4.170 4.350 -0.001 0.000 0.201 148 E C 1.470 178.172 176.600 0.170 0.000 1.339 148 E CA 0.082 56.575 56.400 0.155 0.000 0.699 148 E CB -1.462 28.308 29.700 0.118 0.000 1.126 148 E HN 0.258 nan 8.360 nan 0.000 0.355 149 V N -2.110 117.922 119.914 0.197 0.000 2.913 149 V HA -0.249 3.870 4.120 -0.001 0.000 0.260 149 V C 2.401 178.607 176.094 0.187 0.000 1.098 149 V CA 1.623 64.036 62.300 0.188 0.000 1.121 149 V CB -0.812 31.127 31.823 0.193 0.000 0.714 149 V HN 0.758 nan 8.190 nan 0.000 0.487 150 C N -0.589 118.846 119.300 0.225 0.000 2.437 150 C HA 0.122 4.581 4.460 -0.001 0.000 0.283 150 C C 2.340 177.438 174.990 0.181 0.000 1.424 150 C CA 0.224 59.340 59.018 0.163 0.000 1.782 150 C CB -1.954 25.845 27.740 0.098 0.000 1.833 150 C HN 0.569 nan 8.230 nan 0.000 0.532 151 L N 0.648 121.988 121.223 0.195 0.000 2.362 151 L HA -0.071 4.268 4.340 -0.001 0.000 0.219 151 L C 2.666 179.637 176.870 0.169 0.000 1.134 151 L CA 1.316 56.278 54.840 0.203 0.000 0.807 151 L CB -0.517 41.629 42.059 0.144 0.000 0.927 151 L HN 0.417 nan 8.230 nan 0.000 0.447 152 K N 0.327 120.802 120.400 0.123 0.000 2.439 152 K HA 0.003 4.322 4.320 -0.001 0.000 0.197 152 K C 0.870 177.515 176.600 0.075 0.000 1.041 152 K CA 0.525 56.869 56.287 0.095 0.000 0.970 152 K CB 0.042 32.593 32.500 0.085 0.000 0.773 152 K HN 0.306 nan 8.250 nan 0.000 0.479 153 L N 2.747 123.986 121.223 0.027 0.000 2.727 153 L HA 0.029 4.369 4.340 -0.001 0.000 0.237 153 L C 0.192 177.160 176.870 0.164 0.000 1.370 153 L CA -0.323 54.481 54.840 -0.059 0.000 1.248 153 L CB -0.392 41.409 42.059 -0.430 0.000 1.556 153 L HN 0.161 nan 8.230 nan 0.000 0.420 154 D N -1.466 119.076 120.400 0.237 0.000 2.336 154 D HA -0.006 4.634 4.640 -0.001 0.000 0.228 154 D C 0.607 177.133 176.300 0.377 0.000 1.120 154 D CA -0.041 54.197 54.000 0.397 0.000 0.839 154 D CB 0.096 41.037 40.800 0.236 0.000 0.932 154 D HN 0.303 nan 8.370 nan 0.000 0.509 155 T N -4.496 110.135 114.554 0.129 0.000 2.909 155 T HA 0.409 4.758 4.350 -0.001 0.000 0.299 155 T C -2.340 171.915 174.700 -0.741 0.000 1.073 155 T CA -1.679 60.261 62.100 -0.267 0.000 0.999 155 T CB 2.728 71.507 68.868 -0.149 0.000 1.098 155 T HN -0.363 nan 8.240 nan 0.000 0.477 156 P HA -0.069 nan 4.420 nan 0.000 0.219 156 P C 0.858 177.876 177.300 -0.471 0.000 1.146 156 P CA 1.131 63.488 63.100 -1.239 0.000 0.808 156 P CB 0.265 31.241 31.700 -1.207 0.000 0.779 157 E N 0.656 120.656 120.200 -0.334 0.000 2.047 157 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 157 E C 2.077 178.614 176.600 -0.105 0.000 0.987 157 E CA 1.293 57.589 56.400 -0.174 0.000 0.799 157 E CB -0.625 28.998 29.700 -0.129 0.000 0.752 157 E HN 0.294 nan 8.360 nan 0.000 0.449 158 K N 0.058 120.399 120.400 -0.098 0.000 2.097 158 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 158 K C 2.057 178.653 176.600 -0.007 0.000 1.049 158 K CA 0.855 57.120 56.287 -0.037 0.000 0.933 158 K CB -0.173 32.316 32.500 -0.020 0.000 0.717 158 K HN 0.033 nan 8.250 nan 0.000 0.442 159 L N 0.886 122.106 121.223 -0.006 0.000 2.056 159 L HA -0.089 4.251 4.340 -0.001 0.000 0.207 159 L C 2.184 179.173 176.870 0.199 0.000 1.078 159 L CA 1.685 56.585 54.840 0.100 0.000 0.749 159 L CB -0.577 41.611 42.059 0.214 0.000 0.901 159 L HN 0.111 nan 8.230 nan 0.000 0.433 160 A N -0.901 121.970 122.820 0.085 0.000 1.902 160 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 160 A C 2.022 179.679 177.584 0.122 0.000 1.181 160 A CA 1.854 53.935 52.037 0.074 0.000 0.623 160 A CB -0.813 18.154 19.000 -0.056 0.000 0.818 160 A HN 0.524 nan 8.150 nan 0.000 0.443 161 D N -0.640 119.802 120.400 0.069 0.000 2.117 161 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 161 D C 2.028 178.383 176.300 0.092 0.000 0.987 161 D CA 1.412 55.452 54.000 0.067 0.000 0.829 161 D CB -0.680 40.137 40.800 0.030 0.000 0.961 161 D HN 0.485 nan 8.370 nan 0.000 0.460 162 C N -0.250 119.101 119.300 0.086 0.000 2.432 162 C HA -0.160 4.299 4.460 -0.001 0.000 0.277 162 C C 2.656 177.653 174.990 0.011 0.000 1.249 162 C CA 0.564 59.599 59.018 0.029 0.000 1.725 162 C CB -1.605 26.134 27.740 -0.001 0.000 2.028 162 C HN 0.437 nan 8.230 nan 0.000 0.477 163 W N 0.786 122.128 121.300 0.071 0.000 2.381 163 W HA 0.060 4.719 4.660 -0.001 0.000 0.301 163 W C 2.468 179.049 176.519 0.103 0.000 1.205 163 W CA 0.960 58.354 57.345 0.080 0.000 1.285 163 W CB -0.534 28.964 29.460 0.062 0.000 1.133 163 W HN 0.249 nan 8.180 nan 0.000 0.521 164 L N -0.484 120.937 121.223 0.330 0.000 2.013 164 L HA -0.289 4.050 4.340 -0.001 0.000 0.212 164 L C 2.386 179.397 176.870 0.236 0.000 1.073 164 L CA 1.750 56.771 54.840 0.302 0.000 0.753 164 L CB -1.410 40.771 42.059 0.204 0.000 0.890 164 L HN -0.036 nan 8.230 nan 0.000 0.432 165 T N 0.148 114.791 114.554 0.149 0.000 2.635 165 T HA -0.225 4.124 4.350 -0.001 0.000 0.267 165 T C 1.834 176.593 174.700 0.099 0.000 1.040 165 T CA 1.718 63.879 62.100 0.103 0.000 1.156 165 T CB -0.256 68.648 68.868 0.059 0.000 0.863 165 T HN 0.060 nan 8.240 nan 0.000 0.430 166 I N 0.972 121.585 120.570 0.072 0.000 2.163 166 I HA -0.118 4.051 4.170 -0.001 0.000 0.243 166 I C 2.254 178.427 176.117 0.092 0.000 1.085 166 I CA 1.210 62.538 61.300 0.046 0.000 1.347 166 I CB -0.696 37.273 38.000 -0.052 0.000 1.044 166 I HN 0.226 nan 8.210 nan 0.000 0.408 167 L N -0.916 120.395 121.223 0.146 0.000 2.141 167 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 167 L C 2.829 179.773 176.870 0.124 0.000 1.094 167 L CA 0.757 55.641 54.840 0.074 0.000 0.763 167 L CB -0.696 41.333 42.059 -0.051 0.000 0.908 167 L HN 0.024 nan 8.230 nan 0.000 0.437 168 R N -0.358 120.272 120.500 0.217 0.000 2.096 168 R HA -0.205 4.134 4.340 -0.001 0.000 0.240 168 R C 2.659 179.035 176.300 0.126 0.000 1.139 168 R CA 1.510 57.734 56.100 0.207 0.000 0.952 168 R CB -1.516 28.881 30.300 0.162 0.000 0.854 168 R HN 0.648 nan 8.270 nan 0.000 0.436 169 S N 0.380 116.137 115.700 0.095 0.000 2.359 169 S HA -0.132 4.338 4.470 -0.001 0.000 0.224 169 S C 2.027 176.660 174.600 0.055 0.000 1.035 169 S CA 1.864 60.105 58.200 0.069 0.000 1.018 169 S CB -0.363 62.874 63.200 0.061 0.000 0.876 169 S HN 0.498 nan 8.310 nan 0.000 0.448 170 I N 1.306 121.902 120.570 0.043 0.000 2.286 170 I HA -0.128 4.041 4.170 -0.001 0.000 0.248 170 I C 2.920 179.045 176.117 0.014 0.000 1.115 170 I CA 1.614 62.923 61.300 0.016 0.000 1.392 170 I CB -0.766 37.228 38.000 -0.010 0.000 1.065 170 I HN 0.454 nan 8.210 nan 0.000 0.418 171 E N 1.254 121.474 120.200 0.034 0.000 2.051 171 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 171 E C 1.880 178.513 176.600 0.055 0.000 0.991 171 E CA 1.648 58.081 56.400 0.054 0.000 0.799 171 E CB -0.329 29.451 29.700 0.133 0.000 0.748 171 E HN 0.622 nan 8.360 nan 0.000 0.449 172 E N -0.374 119.864 120.200 0.063 0.000 2.409 172 E HA -0.120 4.229 4.350 -0.001 0.000 0.198 172 E C 1.114 177.737 176.600 0.040 0.000 1.024 172 E CA 1.044 57.476 56.400 0.053 0.000 0.861 172 E CB -0.028 29.707 29.700 0.058 0.000 0.788 172 E HN 0.294 nan 8.360 nan 0.000 0.521 173 D N -1.076 119.345 120.400 0.034 0.000 2.402 173 D HA 0.088 4.727 4.640 -0.001 0.000 0.216 173 D C 0.644 176.954 176.300 0.017 0.000 1.128 173 D CA 0.394 54.410 54.000 0.028 0.000 0.833 173 D CB 0.389 41.208 40.800 0.031 0.000 0.971 173 D HN 0.158 nan 8.370 nan 0.000 0.503 174 G N 0.832 109.641 108.800 0.015 0.000 2.160 174 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.251 174 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.251 174 G C 0.793 175.687 174.900 -0.010 0.000 1.008 174 G CA 0.515 45.618 45.100 0.005 0.000 0.724 174 G HN 0.435 nan 8.290 nan 0.000 0.514 175 L N -0.976 120.238 121.223 -0.016 0.000 2.693 175 L HA 0.353 4.692 4.340 -0.001 0.000 0.235 175 L C 2.356 179.193 176.870 -0.056 0.000 1.127 175 L CA -0.234 54.583 54.840 -0.038 0.000 0.914 175 L CB 0.135 42.172 42.059 -0.036 0.000 1.193 175 L HN 0.229 nan 8.230 nan 0.000 0.502 176 L N 0.237 121.430 121.223 -0.049 0.000 2.131 176 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 176 L C 1.861 178.677 176.870 -0.089 0.000 1.092 176 L CA 1.781 56.574 54.840 -0.079 0.000 0.759 176 L CB -0.368 41.652 42.059 -0.066 0.000 0.903 176 L HN 0.205 nan 8.230 nan 0.000 0.435 177 D N -1.502 118.858 120.400 -0.066 0.000 2.310 177 D HA -0.106 4.533 4.640 -0.001 0.000 0.212 177 D C 1.839 178.088 176.300 -0.085 0.000 0.965 177 D CA 1.202 55.161 54.000 -0.068 0.000 0.879 177 D CB 0.142 40.913 40.800 -0.049 0.000 0.921 177 D HN 0.343 nan 8.370 nan 0.000 0.510 178 T N 0.632 115.130 114.554 -0.093 0.000 3.055 178 T HA 0.008 4.358 4.350 -0.001 0.000 0.265 178 T C 0.980 175.595 174.700 -0.141 0.000 1.111 178 T CA 0.048 62.080 62.100 -0.113 0.000 1.118 178 T CB 0.438 69.235 68.868 -0.119 0.000 0.909 178 T HN 0.015 nan 8.240 nan 0.000 0.501 179 I N 2.528 123.010 120.570 -0.147 0.000 2.396 179 I HA 0.156 4.326 4.170 -0.001 0.000 0.289 179 I C 1.022 177.021 176.117 -0.195 0.000 1.056 179 I CA -0.619 60.568 61.300 -0.188 0.000 1.365 179 I CB 0.784 38.673 38.000 -0.185 0.000 1.407 179 I HN 0.071 nan 8.210 nan 0.000 0.509 180 L N 8.966 130.048 121.223 -0.235 0.000 2.127 180 L HA 0.069 4.409 4.340 -0.001 0.000 0.203 180 L C -0.065 176.750 176.870 -0.093 0.000 1.080 180 L CA 1.393 56.136 54.840 -0.161 0.000 0.768 180 L CB -0.098 41.870 42.059 -0.151 0.000 0.924 180 L HN 0.672 nan 8.230 nan 0.000 0.444 181 Y N -4.248 115.933 120.300 -0.198 0.000 2.689 181 Y HA 0.643 5.192 4.550 -0.001 0.000 0.333 181 Y C -1.440 174.292 175.900 -0.279 0.000 1.208 181 Y CA -2.021 55.921 58.100 -0.263 0.000 1.055 181 Y CB 0.640 38.969 38.460 -0.218 0.000 1.304 181 Y HN -0.399 nan 8.280 nan 0.000 0.455 182 V N 2.357 122.224 119.914 -0.079 0.000 2.443 182 V HA 0.352 4.472 4.120 -0.001 0.000 0.293 182 V C -1.376 174.615 176.094 -0.173 0.000 1.021 182 V CA -0.455 61.730 62.300 -0.192 0.000 0.848 182 V CB 1.356 33.027 31.823 -0.253 0.000 0.998 182 V HN 0.797 nan 8.190 nan 0.000 0.424 183 D N 4.125 124.380 120.400 -0.241 0.000 2.349 183 D HA 0.369 5.008 4.640 -0.001 0.000 0.232 183 D C 0.841 176.756 176.300 -0.641 0.000 1.071 183 D CA -0.367 53.428 54.000 -0.340 0.000 0.832 183 D CB 1.628 42.360 40.800 -0.114 0.000 1.086 183 D HN 0.377 nan 8.370 nan 0.000 0.504 184 L N 2.020 122.689 121.223 -0.923 0.000 2.376 184 L HA 0.109 4.449 4.340 -0.001 0.000 0.219 184 L C 0.623 177.367 176.870 -0.210 0.000 1.133 184 L CA 0.242 54.516 54.840 -0.944 0.000 0.816 184 L CB -0.014 41.278 42.059 -1.278 0.000 0.933 184 L HN 0.445 nan 8.230 nan 0.000 0.449 185 C N 0.038 119.215 119.300 -0.204 0.000 3.094 185 C HA 0.211 4.671 4.460 -0.001 0.000 0.414 185 C C -0.182 174.813 174.990 0.009 0.000 0.993 185 C CA -1.492 57.666 59.018 0.233 0.000 1.217 185 C CB 0.651 28.763 27.740 0.619 0.000 1.603 185 C HN 0.440 nan 8.230 nan 0.000 0.564 186 N N 3.329 121.868 118.700 -0.268 0.000 2.412 186 N HA 0.133 4.872 4.740 -0.001 0.000 0.258 186 N C 0.427 175.798 175.510 -0.232 0.000 1.236 186 N CA 1.323 54.033 53.050 -0.566 0.000 0.882 186 N CB 0.336 37.875 38.487 -1.580 0.000 1.066 186 N HN 0.782 nan 8.380 nan 0.000 0.465 187 E N 0.841 120.962 120.200 -0.133 0.000 2.269 187 E HA -0.293 4.056 4.350 -0.001 0.000 0.223 187 E C -0.834 175.813 176.600 0.079 0.000 1.244 187 E CA 0.196 56.619 56.400 0.038 0.000 0.713 187 E CB -1.007 28.846 29.700 0.255 0.000 1.178 187 E HN 0.540 nan 8.360 nan 0.000 0.370 188 W N 2.182 123.469 121.300 -0.021 0.000 2.193 188 W HA 0.064 4.723 4.660 -0.001 0.000 0.338 188 W C -2.086 174.327 176.519 -0.175 0.000 1.310 188 W CA -1.215 56.086 57.345 -0.073 0.000 1.243 188 W CB 0.630 30.165 29.460 0.125 0.000 1.165 188 W HN 0.052 nan 8.180 nan 0.000 0.566 189 P HA 0.124 nan 4.420 nan 0.000 0.250 189 P C 0.394 177.078 177.300 -1.027 0.000 1.808 189 P CA -0.126 61.996 63.100 -1.630 0.000 1.117 189 P CB -0.014 30.477 31.700 -2.015 0.000 1.602 190 G N 2.180 110.388 108.800 -0.986 0.000 2.225 190 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.245 190 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.245 190 G C 0.907 175.341 174.900 -0.777 0.000 1.249 190 G CA -0.067 44.174 45.100 -1.430 0.000 0.919 190 G HN 0.201 nan 8.290 nan 0.000 0.486 191 D N 1.473 121.610 120.400 -0.438 0.000 2.263 191 D HA -0.131 4.509 4.640 -0.001 0.000 0.208 191 D C 2.014 178.152 176.300 -0.271 0.000 0.971 191 D CA 1.227 55.059 54.000 -0.281 0.000 0.867 191 D CB -0.202 40.516 40.800 -0.136 0.000 0.929 191 D HN 0.280 nan 8.370 nan 0.000 0.492 192 S N -0.454 115.043 115.700 -0.339 0.000 2.423 192 S HA -0.049 4.420 4.470 -0.001 0.000 0.231 192 S C 1.240 175.506 174.600 -0.557 0.000 1.014 192 S CA 0.978 58.824 58.200 -0.590 0.000 0.965 192 S CB -0.415 62.098 63.200 -1.146 0.000 0.785 192 S HN 0.592 nan 8.310 nan 0.000 0.495 193 W N 0.408 121.727 121.300 0.032 0.000 2.842 193 W HA 0.532 5.192 4.660 -0.001 0.000 0.267 193 W C 1.078 177.553 176.519 -0.074 0.000 1.219 193 W CA -0.035 57.355 57.345 0.075 0.000 1.458 193 W CB 0.354 29.859 29.460 0.075 0.000 1.006 193 W HN 0.093 nan 8.180 nan 0.000 0.603 194 A N 1.768 124.430 122.820 -0.262 0.000 3.201 194 A HA 0.305 4.624 4.320 -0.001 0.000 0.312 194 A C -1.545 175.510 177.584 -0.882 0.000 1.011 194 A CA -0.989 50.495 52.037 -0.922 0.000 0.987 194 A CB -0.237 18.201 19.000 -0.937 0.000 1.060 194 A HN -0.117 nan 8.150 nan 0.000 0.505 195 P HA -0.211 nan 4.420 nan 0.000 0.219 195 P C 1.352 178.513 177.300 -0.233 0.000 1.146 195 P CA 1.195 64.126 63.100 -0.281 0.000 0.808 195 P CB -0.301 31.344 31.700 -0.093 0.000 0.779 196 F N -2.078 117.861 119.950 -0.018 0.000 2.269 196 F HA -0.024 4.503 4.527 -0.001 0.000 0.301 196 F C 2.212 178.041 175.800 0.048 0.000 1.082 196 F CA 0.495 58.519 58.000 0.040 0.000 1.360 196 F CB -1.904 37.152 39.000 0.095 0.000 1.041 196 F HN -0.194 nan 8.300 nan 0.000 0.512 197 F N 1.657 121.300 119.950 -0.512 0.000 2.179 197 F HA 0.205 4.731 4.527 -0.001 0.000 0.292 197 F C 2.452 178.056 175.800 -0.327 0.000 1.089 197 F CA 0.895 58.591 58.000 -0.507 0.000 1.295 197 F CB -0.844 37.549 39.000 -1.011 0.000 1.041 197 F HN 0.010 nan 8.300 nan 0.000 0.487 198 A N 0.821 123.480 122.820 -0.269 0.000 1.948 198 A HA -0.234 4.085 4.320 -0.001 0.000 0.220 198 A C 2.326 179.772 177.584 -0.230 0.000 1.177 198 A CA 2.785 54.675 52.037 -0.244 0.000 0.636 198 A CB -1.512 17.368 19.000 -0.200 0.000 0.815 198 A HN 0.437 nan 8.150 nan 0.000 0.449 199 K N -1.198 119.094 120.400 -0.181 0.000 2.044 199 K HA -0.188 4.132 4.320 -0.001 0.000 0.210 199 K C 2.090 178.558 176.600 -0.219 0.000 1.049 199 K CA 2.573 58.775 56.287 -0.141 0.000 0.927 199 K CB -1.788 30.675 32.500 -0.061 0.000 0.713 199 K HN 0.526 nan 8.250 nan 0.000 0.443 200 T N -1.066 113.282 114.554 -0.343 0.000 2.978 200 T HA 0.105 4.455 4.350 -0.001 0.000 0.262 200 T C -0.089 174.139 174.700 -0.787 0.000 1.063 200 T CA 0.833 62.590 62.100 -0.573 0.000 1.140 200 T CB -0.112 68.312 68.868 -0.740 0.000 0.886 200 T HN 0.506 nan 8.240 nan 0.000 0.470 201 Y N 1.221 121.241 120.300 -0.467 0.000 2.747 201 Y HA 0.324 4.873 4.550 -0.001 0.000 0.362 201 Y C -1.992 173.694 175.900 -0.357 0.000 1.026 201 Y CA -3.199 54.618 58.100 -0.472 0.000 1.135 201 Y CB 0.985 38.965 38.460 -0.801 0.000 1.175 201 Y HN 0.077 nan 8.280 nan 0.000 0.643 202 P HA -0.029 nan 4.420 nan 0.000 0.233 202 P C 0.217 177.475 177.300 -0.070 0.000 1.167 202 P CA 1.060 64.098 63.100 -0.104 0.000 0.770 202 P CB 0.604 32.249 31.700 -0.091 0.000 0.837 203 N N -0.717 117.951 118.700 -0.054 0.000 2.238 203 N HA 0.061 4.801 4.740 -0.001 0.000 0.222 203 N C 1.320 176.791 175.510 -0.065 0.000 1.133 203 N CA -0.022 53.000 53.050 -0.047 0.000 0.854 203 N CB 0.627 39.094 38.487 -0.034 0.000 1.041 203 N HN -0.016 nan 8.380 nan 0.000 0.510 204 V N 0.574 120.438 119.914 -0.083 0.000 2.307 204 V HA 0.016 4.135 4.120 -0.001 0.000 0.245 204 V C 1.290 177.296 176.094 -0.147 0.000 1.045 204 V CA 1.532 63.755 62.300 -0.129 0.000 1.024 204 V CB -0.909 30.862 31.823 -0.087 0.000 0.651 204 V HN 0.522 nan 8.190 nan 0.000 0.449 205 G N -1.780 106.958 108.800 -0.104 0.000 2.690 205 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.686 205 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.686 205 G C -0.562 174.311 174.900 -0.045 0.000 1.277 205 G CA -0.266 44.808 45.100 -0.042 0.000 0.799 205 G HN 0.415 nan 8.290 nan 0.000 0.613 206 W N 1.976 123.223 121.300 -0.088 0.000 2.257 206 W HA 0.373 5.032 4.660 -0.001 0.000 0.337 206 W C 1.375 177.895 176.519 0.002 0.000 1.321 206 W CA 1.980 59.289 57.345 -0.060 0.000 1.267 206 W CB 0.203 29.646 29.460 -0.029 0.000 1.187 206 W HN 2.426 nan 8.180 nan 0.000 0.565 207 G N 4.091 112.691 108.800 -0.333 0.000 2.220 207 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.269 207 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.269 207 G C 0.503 175.318 174.900 -0.142 0.000 0.977 207 G CA 0.396 45.511 45.100 0.026 0.000 0.634 207 G HN 0.582 nan 8.290 nan 0.000 0.539 208 N N 1.590 120.042 118.700 -0.413 0.000 3.243 208 N HA 0.125 4.865 4.740 -0.001 0.000 0.310 208 N C 1.643 176.531 175.510 -1.038 0.000 1.313 208 N CA 0.368 52.854 53.050 -0.940 0.000 1.204 208 N CB -0.649 37.389 38.487 -0.748 0.000 1.483 208 N HN 0.816 nan 8.380 nan 0.000 0.553 209 W N 0.684 121.462 121.300 -0.870 0.000 2.392 209 W HA -0.205 4.454 4.660 -0.001 0.000 0.279 209 W C 0.651 176.821 176.519 -0.582 0.000 1.225 209 W CA 0.340 57.253 57.345 -0.721 0.000 1.233 209 W CB -0.998 27.808 29.460 -1.091 0.000 1.122 209 W HN 0.294 nan 8.180 nan 0.000 0.561 210 Y N 1.056 120.586 120.300 -1.282 0.000 2.544 210 Y HA 0.377 4.926 4.550 -0.001 0.000 0.286 210 Y C 1.082 176.654 175.900 -0.546 0.000 1.141 210 Y CA -0.680 56.708 58.100 -1.186 0.000 1.299 210 Y CB -1.093 36.399 38.460 -1.612 0.000 1.030 210 Y HN -0.279 nan 8.280 nan 0.000 0.543 211 K N 1.532 121.530 120.400 -0.670 0.000 2.414 211 K HA -0.034 4.285 4.320 -0.001 0.000 0.272 211 K C 0.583 177.076 176.600 -0.177 0.000 0.993 211 K CA 0.284 56.359 56.287 -0.352 0.000 0.964 211 K CB 0.701 32.959 32.500 -0.402 0.000 0.925 211 K HN 0.177 nan 8.250 nan 0.000 0.487 212 E N 1.916 122.050 120.200 -0.110 0.000 2.118 212 E HA -0.225 4.124 4.350 -0.001 0.000 0.195 212 E C 1.378 177.942 176.600 -0.059 0.000 0.992 212 E CA 1.560 57.930 56.400 -0.050 0.000 0.804 212 E CB 0.018 29.697 29.700 -0.036 0.000 0.741 212 E HN 0.491 nan 8.360 nan 0.000 0.458 213 E N 0.054 120.152 120.200 -0.170 0.000 2.085 213 E HA -0.193 4.156 4.350 -0.001 0.000 0.194 213 E C 2.057 178.645 176.600 -0.019 0.000 0.994 213 E CA 1.425 57.617 56.400 -0.347 0.000 0.801 213 E CB -0.339 28.831 29.700 -0.884 0.000 0.743 213 E HN 0.133 nan 8.360 nan 0.000 0.453 214 S N -0.262 115.478 115.700 0.065 0.000 2.357 214 S HA -0.067 4.402 4.470 -0.001 0.000 0.221 214 S C 1.890 176.617 174.600 0.212 0.000 1.031 214 S CA 0.734 59.033 58.200 0.164 0.000 0.982 214 S CB -0.257 62.920 63.200 -0.038 0.000 0.853 214 S HN 0.177 nan 8.310 nan 0.000 0.458 215 L N 1.208 122.531 121.223 0.166 0.000 2.042 215 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 215 L C 2.944 179.887 176.870 0.121 0.000 1.076 215 L CA 1.827 56.822 54.840 0.259 0.000 0.749 215 L CB -0.579 41.644 42.059 0.274 0.000 0.893 215 L HN 0.355 nan 8.230 nan 0.000 0.432 216 R N -0.142 120.423 120.500 0.109 0.000 2.073 216 R HA -0.198 4.141 4.340 -0.001 0.000 0.234 216 R C 1.383 177.737 176.300 0.090 0.000 1.134 216 R CA 0.888 57.029 56.100 0.069 0.000 0.952 216 R CB -0.277 30.076 30.300 0.088 0.000 0.850 216 R HN 0.314 nan 8.270 nan 0.000 0.433 220 T N 1.294 115.678 114.554 -0.284 0.000 2.708 220 T HA -0.166 4.183 4.350 -0.001 0.000 0.266 220 T C 1.741 176.307 174.700 -0.223 0.000 1.037 220 T CA 2.192 64.162 62.100 -0.216 0.000 1.146 220 T CB -0.333 68.415 68.868 -0.201 0.000 0.865 220 T HN 0.509 nan 8.240 nan 0.000 0.435 221 S N 1.749 117.305 115.700 -0.240 0.000 2.368 221 S HA 0.010 4.480 4.470 -0.001 0.000 0.225 221 S C 2.099 176.576 174.600 -0.206 0.000 1.030 221 S CA 0.847 58.931 58.200 -0.193 0.000 0.999 221 S CB -0.765 62.385 63.200 -0.083 0.000 0.844 221 S HN 0.445 nan 8.310 nan 0.000 0.459 222 L N 0.945 122.049 121.223 -0.197 0.000 2.156 222 L HA 0.042 4.381 4.340 -0.001 0.000 0.208 222 L C 2.866 179.616 176.870 -0.201 0.000 1.095 222 L CA 1.225 55.924 54.840 -0.236 0.000 0.770 222 L CB -0.604 41.408 42.059 -0.079 0.000 0.914 222 L HN 0.398 nan 8.230 nan 0.000 0.439 223 E N 0.394 120.501 120.200 -0.156 0.000 2.077 223 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 223 E C 1.199 177.732 176.600 -0.110 0.000 0.989 223 E CA 0.815 57.153 56.400 -0.103 0.000 0.800 223 E CB 0.102 29.746 29.700 -0.093 0.000 0.746 223 E HN 0.291 nan 8.360 nan 0.000 0.452 227 Q N 0.648 120.435 119.800 -0.022 0.000 2.170 227 Q HA -0.048 4.291 4.340 -0.001 0.000 0.203 227 Q C 1.670 177.627 176.000 -0.071 0.000 0.976 227 Q CA 1.737 57.517 55.803 -0.038 0.000 0.858 227 Q CB 0.312 29.020 28.738 -0.050 0.000 0.907 227 Q HN 0.113 nan 8.270 nan 0.000 0.433 228 V N -1.454 118.394 119.914 -0.110 0.000 2.672 228 V HA -0.056 4.063 4.120 -0.001 0.000 0.242 228 V C 0.055 175.893 176.094 -0.426 0.000 1.059 228 V CA 0.820 62.930 62.300 -0.317 0.000 1.081 228 V CB 0.119 31.671 31.823 -0.452 0.000 0.752 228 V HN 0.205 nan 8.190 nan 0.000 0.472 229 Y N 1.235 121.622 120.300 0.145 0.000 2.747 229 Y HA 0.405 4.955 4.550 -0.001 0.000 0.362 229 Y C -1.660 174.365 175.900 0.208 0.000 1.026 229 Y CA -2.668 55.539 58.100 0.179 0.000 1.135 229 Y CB 0.361 38.974 38.460 0.254 0.000 1.175 229 Y HN 0.182 nan 8.280 nan 0.000 0.643 230 P HA -0.080 nan 4.420 nan 0.000 0.220 230 P C -0.061 177.324 177.300 0.141 0.000 1.148 230 P CA 1.139 64.339 63.100 0.168 0.000 0.803 230 P CB 0.629 32.381 31.700 0.088 0.000 0.782 234 F N 2.189 122.099 119.950 -0.066 0.000 2.546 234 F HA 0.834 5.360 4.527 -0.001 0.000 0.320 234 F C 0.432 176.160 175.800 -0.119 0.000 1.076 234 F CA -0.605 57.327 58.000 -0.114 0.000 0.928 234 F CB 2.023 40.968 39.000 -0.092 0.000 1.189 234 F HN 0.367 nan 8.300 nan 0.000 0.465 235 L N -0.446 120.787 121.223 0.017 0.000 2.963 235 L HA 0.706 5.045 4.340 -0.001 0.000 0.273 235 L C -2.335 174.403 176.870 -0.219 0.000 1.078 235 L CA -1.037 53.762 54.840 -0.068 0.000 0.970 235 L CB 2.114 44.046 42.059 -0.211 0.000 1.564 235 L HN 0.440 nan 8.230 nan 0.000 0.381 236 Y N 0.132 120.186 120.300 -0.410 0.000 2.477 236 Y HA 0.680 5.229 4.550 -0.001 0.000 0.347 236 Y C -0.028 175.319 175.900 -0.922 0.000 0.981 236 Y CA -0.449 57.340 58.100 -0.520 0.000 1.033 236 Y CB 2.405 40.593 38.460 -0.453 0.000 1.245 236 Y HN 0.723 nan 8.280 nan 0.000 0.455 237 S N 2.203 117.567 115.700 -0.560 0.000 2.554 237 S HA 0.811 5.280 4.470 -0.001 0.000 0.278 237 S C -1.142 173.078 174.600 -0.633 0.000 1.242 237 S CA -0.511 57.269 58.200 -0.700 0.000 1.051 237 S CB 0.695 63.625 63.200 -0.451 0.000 0.986 237 S HN 0.302 nan 8.310 nan 0.000 0.502 238 F N 0.997 120.631 119.950 -0.527 0.000 2.577 238 F HA 0.458 4.985 4.527 -0.001 0.000 0.318 238 F C 0.587 175.934 175.800 -0.756 0.000 1.065 238 F CA -1.612 56.073 58.000 -0.525 0.000 0.929 238 F CB 1.657 40.303 39.000 -0.590 0.000 1.237 238 F HN 0.706 nan 8.300 nan 0.000 0.468 239 D N -1.905 118.439 120.400 -0.093 0.000 2.500 239 D HA -0.001 4.638 4.640 -0.001 0.000 0.217 239 D C 0.210 176.720 176.300 0.350 0.000 1.159 239 D CA 0.074 54.122 54.000 0.080 0.000 0.828 239 D CB -0.571 40.487 40.800 0.431 0.000 1.039 239 D HN 0.470 nan 8.370 nan 0.000 0.512 240 H N 0.988 120.265 119.070 0.345 0.000 2.886 240 H HA 0.251 4.806 4.556 -0.001 0.000 0.329 240 H C 1.454 177.109 175.328 0.545 0.000 1.044 240 H CA 1.179 57.499 56.048 0.454 0.000 1.456 240 H CB 1.533 31.556 29.762 0.436 0.000 1.464 240 H HN 0.183 nan 8.280 nan 0.000 0.573 241 G N 3.699 112.548 108.800 0.081 0.000 2.448 241 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 241 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 241 G C 0.723 175.765 174.900 0.237 0.000 1.127 241 G CA 0.332 45.548 45.100 0.194 0.000 0.766 241 G HN 0.630 nan 8.290 nan 0.000 0.552 242 D N 1.185 121.782 120.400 0.329 0.000 2.551 242 D HA 0.127 4.766 4.640 -0.001 0.000 0.223 242 D C 2.065 178.514 176.300 0.248 0.000 1.144 242 D CA -0.120 54.043 54.000 0.272 0.000 1.025 242 D CB 0.501 41.459 40.800 0.263 0.000 1.085 242 D HN 0.111 nan 8.370 nan 0.000 0.506 243 V N 0.978 121.019 119.914 0.211 0.000 2.913 243 V HA -0.138 3.982 4.120 -0.001 0.000 0.260 243 V C 2.077 178.315 176.094 0.241 0.000 1.098 243 V CA 0.857 63.294 62.300 0.229 0.000 1.121 243 V CB -0.654 31.230 31.823 0.102 0.000 0.714 243 V HN 0.171 nan 8.190 nan 0.000 0.487 244 K N -0.345 120.129 120.400 0.123 0.000 2.362 244 K HA 0.027 4.346 4.320 -0.001 0.000 0.200 244 K C 2.148 178.761 176.600 0.021 0.000 1.046 244 K CA 0.942 57.274 56.287 0.075 0.000 0.952 244 K CB -0.561 31.956 32.500 0.027 0.000 0.753 244 K HN 0.638 nan 8.250 nan 0.000 0.466 245 K N -0.294 120.062 120.400 -0.074 0.000 2.152 245 K HA -0.104 4.215 4.320 -0.001 0.000 0.206 245 K C 1.903 178.480 176.600 -0.038 0.000 1.048 245 K CA 1.508 57.629 56.287 -0.277 0.000 0.933 245 K CB -0.398 31.667 32.500 -0.724 0.000 0.721 245 K HN 0.458 nan 8.250 nan 0.000 0.447 246 Y N 1.523 121.936 120.300 0.188 0.000 2.274 246 Y HA -0.156 4.393 4.550 -0.001 0.000 0.290 246 Y C 2.084 178.036 175.900 0.086 0.000 1.145 246 Y CA 1.261 59.462 58.100 0.169 0.000 1.203 246 Y CB -0.085 38.337 38.460 -0.064 0.000 0.984 246 Y HN 0.234 nan 8.280 nan 0.000 0.533 247 E N -0.468 119.851 120.200 0.198 0.000 2.299 247 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 247 E C 1.429 178.059 176.600 0.049 0.000 0.998 247 E CA 0.651 57.117 56.400 0.110 0.000 0.851 247 E CB 0.018 29.764 29.700 0.077 0.000 0.795 247 E HN 0.612 nan 8.360 nan 0.000 0.492 248 E N 0.517 120.718 120.200 0.001 0.000 2.447 248 E HA 0.007 4.357 4.350 -0.001 0.000 0.195 248 E C 0.442 177.007 176.600 -0.057 0.000 1.028 248 E CA 0.120 56.487 56.400 -0.054 0.000 0.876 248 E CB 0.887 30.510 29.700 -0.129 0.000 0.885 248 E HN 0.032 nan 8.360 nan 0.000 0.500 249 V N -1.583 118.311 119.914 -0.034 0.000 3.001 249 V HA 0.380 4.499 4.120 -0.001 0.000 0.314 249 V C -0.735 175.388 176.094 0.049 0.000 1.099 249 V CA -1.328 60.965 62.300 -0.012 0.000 0.989 249 V CB 2.108 33.891 31.823 -0.067 0.000 1.040 249 V HN -0.206 nan 8.190 nan 0.000 0.434 250 D N 2.452 122.889 120.400 0.061 0.000 2.352 250 D HA 0.317 4.956 4.640 -0.001 0.000 0.245 250 D C 0.438 176.730 176.300 -0.015 0.000 1.224 250 D CA -0.040 53.995 54.000 0.057 0.000 0.879 250 D CB 0.688 41.544 40.800 0.093 0.000 1.057 250 D HN 1.015 nan 8.370 nan 0.000 0.491 251 C N 2.088 121.296 119.300 -0.153 0.000 2.913 251 C HA 0.325 4.784 4.460 -0.001 0.000 0.246 251 C C 1.808 176.472 174.990 -0.545 0.000 1.857 251 C CA -0.156 58.484 59.018 -0.630 0.000 1.690 251 C CB -1.403 26.232 27.740 -0.176 0.000 3.235 251 C HN 0.437 nan 8.230 nan 0.000 0.475 252 S N 1.267 116.790 115.700 -0.295 0.000 2.442 252 S HA -0.167 4.302 4.470 -0.001 0.000 0.236 252 S C 1.151 175.716 174.600 -0.059 0.000 1.007 252 S CA 1.144 59.286 58.200 -0.096 0.000 0.965 252 S CB -0.898 62.303 63.200 0.002 0.000 0.773 252 S HN 0.878 nan 8.310 nan 0.000 0.504 253 F N 1.298 121.317 119.950 0.115 0.000 2.722 253 F HA 0.423 4.949 4.527 -0.001 0.000 0.298 253 F C 0.359 176.223 175.800 0.107 0.000 1.175 253 F CA -0.866 57.191 58.000 0.095 0.000 1.462 253 F CB -0.976 38.074 39.000 0.082 0.000 1.111 253 F HN 0.048 nan 8.300 nan 0.000 0.592 254 L N 1.703 122.960 121.223 0.057 0.000 2.276 254 L HA 0.221 4.560 4.340 -0.001 0.000 0.286 254 L C 0.706 177.606 176.870 0.050 0.000 1.061 254 L CA -0.423 54.496 54.840 0.131 0.000 0.807 254 L CB 0.813 42.961 42.059 0.148 0.000 1.177 254 L HN -0.034 nan 8.230 nan 0.000 0.429 255 D N 3.009 123.425 120.400 0.026 0.000 2.277 255 D HA 0.110 4.750 4.640 -0.001 0.000 0.208 255 D C 0.158 176.347 176.300 -0.185 0.000 0.962 255 D CA 0.971 54.935 54.000 -0.060 0.000 0.865 255 D CB 0.316 41.094 40.800 -0.037 0.000 0.939 255 D HN 0.413 nan 8.370 nan 0.000 0.510 256 L N -4.013 117.078 121.223 -0.219 0.000 2.671 256 L HA 0.478 4.817 4.340 -0.001 0.000 0.259 256 L C -1.761 174.967 176.870 -0.237 0.000 1.021 256 L CA -1.277 53.346 54.840 -0.362 0.000 0.871 256 L CB 1.299 43.143 42.059 -0.358 0.000 1.472 256 L HN -0.367 nan 8.230 nan 0.000 0.410 257 Y N -0.139 119.929 120.300 -0.387 0.000 2.341 257 Y HA 0.600 5.150 4.550 -0.001 0.000 0.337 257 Y C -0.103 175.576 175.900 -0.369 0.000 1.014 257 Y CA -1.085 56.777 58.100 -0.397 0.000 1.111 257 Y CB 1.510 39.662 38.460 -0.514 0.000 1.194 257 Y HN 0.555 nan 8.280 nan 0.000 0.462 258 E N 3.394 123.460 120.200 -0.223 0.000 2.101 258 E HA 0.151 4.501 4.350 -0.001 0.000 0.260 258 E C -1.572 174.950 176.600 -0.131 0.000 0.897 258 E CA -0.525 55.758 56.400 -0.196 0.000 0.744 258 E CB 0.315 29.832 29.700 -0.305 0.000 1.140 258 E HN 0.806 nan 8.360 nan 0.000 0.419 259 H N 2.313 121.374 119.070 -0.014 0.000 2.466 259 H HA 0.299 4.854 4.556 -0.001 0.000 0.338 259 H C -0.646 174.750 175.328 0.113 0.000 1.091 259 H CA -0.443 55.628 56.048 0.039 0.000 1.207 259 H CB 0.744 30.597 29.762 0.152 0.000 1.466 259 H HN 0.481 nan 8.280 nan 0.000 0.493 260 H N 5.666 124.615 119.070 -0.202 0.000 2.668 260 H HA 0.309 4.864 4.556 -0.001 0.000 0.303 260 H C -0.252 174.887 175.328 -0.314 0.000 1.074 260 H CA -0.482 55.318 56.048 -0.413 0.000 1.406 260 H CB 0.915 30.449 29.762 -0.380 0.000 1.442 260 H HN 0.383 nan 8.280 nan 0.000 0.482 261 I N 4.056 124.339 120.570 -0.478 0.000 2.439 261 I HA 0.204 4.373 4.170 -0.001 0.000 0.285 261 I C -0.721 175.221 176.117 -0.291 0.000 1.021 261 I CA -0.493 60.724 61.300 -0.138 0.000 1.091 261 I CB 1.401 39.501 38.000 0.165 0.000 1.242 261 I HN 0.513 nan 8.210 nan 0.000 0.439 265 Q N 0.301 120.190 119.800 0.149 0.000 2.384 265 Q HA 0.134 4.473 4.340 -0.001 0.000 0.207 265 Q C -0.023 176.146 176.000 0.281 0.000 0.904 265 Q CA -0.006 55.972 55.803 0.291 0.000 0.933 265 Q CB 0.299 29.290 28.738 0.421 0.000 1.077 265 Q HN 0.574 nan 8.270 nan 0.000 0.522 266 Q N 1.157 121.116 119.800 0.265 0.000 2.474 266 Q HA -0.044 4.296 4.340 -0.001 0.000 0.256 266 Q C 0.213 176.368 176.000 0.259 0.000 1.048 266 Q CA 0.278 56.231 55.803 0.250 0.000 0.922 266 Q CB 0.111 28.986 28.738 0.228 0.000 1.288 266 Q HN 0.181 nan 8.270 nan 0.000 0.484 267 N N 0.093 118.921 118.700 0.212 0.000 2.705 267 N HA -0.227 4.512 4.740 -0.001 0.000 0.255 267 N C 0.251 175.888 175.510 0.212 0.000 1.008 267 N CA 1.614 54.786 53.050 0.205 0.000 0.742 267 N CB -1.198 37.429 38.487 0.234 0.000 0.906 267 N HN 0.956 nan 8.380 nan 0.000 0.541 268 G N -0.834 108.080 108.800 0.189 0.000 2.221 268 G HA2 0.061 4.020 3.960 -0.001 0.000 0.265 268 G HA3 0.061 4.020 3.960 -0.001 0.000 0.265 268 G C 1.304 176.333 174.900 0.215 0.000 1.041 268 G CA 0.958 46.165 45.100 0.178 0.000 0.807 268 G HN 1.893 nan 8.290 nan 0.000 0.502 269 G N -0.875 108.079 108.800 0.257 0.000 2.198 269 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.257 269 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.257 269 G C 0.853 175.935 174.900 0.303 0.000 1.042 269 G CA 1.309 46.588 45.100 0.297 0.000 0.791 269 G HN 1.159 nan 8.290 nan 0.000 0.502 270 E N -1.008 119.394 120.200 0.337 0.000 2.070 270 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 270 E C 1.986 178.822 176.600 0.393 0.000 1.004 270 E CA 1.635 58.270 56.400 0.390 0.000 0.805 270 E CB -0.163 29.852 29.700 0.526 0.000 0.744 270 E HN 0.715 nan 8.360 nan 0.000 0.451 271 F N 0.136 120.184 119.950 0.164 0.000 2.069 271 F HA -0.263 4.263 4.527 -0.001 0.000 0.298 271 F C 1.964 177.741 175.800 -0.038 0.000 1.113 271 F CA 1.671 59.529 58.000 -0.235 0.000 1.214 271 F CB -0.436 38.166 39.000 -0.664 0.000 0.978 271 F HN 0.108 nan 8.300 nan 0.000 0.474 272 Y N 0.904 121.276 120.300 0.121 0.000 2.293 272 Y HA -0.133 4.417 4.550 -0.001 0.000 0.291 272 Y C 2.306 178.186 175.900 -0.033 0.000 1.137 272 Y CA 1.129 59.234 58.100 0.009 0.000 1.202 272 Y CB -0.971 37.529 38.460 0.065 0.000 0.990 272 Y HN 0.119 nan 8.280 nan 0.000 0.537 273 K N -0.247 120.260 120.400 0.179 0.000 2.097 273 K HA -0.118 4.201 4.320 -0.001 0.000 0.205 273 K C 1.980 178.606 176.600 0.044 0.000 1.050 273 K CA 1.199 57.549 56.287 0.105 0.000 0.938 273 K CB -0.343 32.233 32.500 0.127 0.000 0.718 273 K HN 0.271 nan 8.250 nan 0.000 0.442 274 L N 0.410 121.643 121.223 0.017 0.000 2.109 274 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 274 L C 2.229 179.032 176.870 -0.113 0.000 1.086 274 L CA 0.658 55.480 54.840 -0.030 0.000 0.760 274 L CB -0.243 41.813 42.059 -0.005 0.000 0.910 274 L HN -0.028 nan 8.230 nan 0.000 0.437 275 V N -0.280 119.512 119.914 -0.203 0.000 2.548 275 V HA 0.014 4.134 4.120 -0.001 0.000 0.249 275 V C 1.477 177.531 176.094 -0.067 0.000 1.055 275 V CA 1.363 63.546 62.300 -0.195 0.000 1.065 275 V CB -0.574 31.085 31.823 -0.274 0.000 0.681 275 V HN 0.703 nan 8.190 nan 0.000 0.462 276 G N -0.711 108.068 108.800 -0.034 0.000 2.207 276 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.216 276 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.216 276 G C -0.305 174.554 174.900 -0.069 0.000 1.053 276 G CA 0.029 45.105 45.100 -0.040 0.000 0.764 276 G HN 0.490 nan 8.290 nan 0.000 0.495 277 Y N 0.479 120.621 120.300 -0.264 0.000 2.331 277 Y HA 0.539 5.089 4.550 -0.001 0.000 0.338 277 Y C 0.960 176.493 175.900 -0.612 0.000 0.976 277 Y CA -0.229 57.553 58.100 -0.530 0.000 1.137 277 Y CB 1.788 39.718 38.460 -0.884 0.000 1.172 277 Y HN 0.255 nan 8.280 nan 0.000 0.478 278 G N 3.709 111.876 108.800 -1.055 0.000 3.863 278 G HA2 0.102 4.061 3.960 -0.001 0.000 0.290 278 G HA3 0.102 4.061 3.960 -0.001 0.000 0.290 278 G C -0.679 173.847 174.900 -0.622 0.000 1.018 278 G CA -0.299 44.401 45.100 -0.667 0.000 0.824 278 G HN 0.863 nan 8.290 nan 0.000 0.507 279 Y N -1.052 118.471 120.300 -1.296 0.000 4.177 279 Y HA -0.230 4.320 4.550 -0.001 0.000 0.227 279 Y C 1.050 176.689 175.900 -0.435 0.000 1.154 279 Y CA 0.188 57.837 58.100 -0.752 0.000 1.887 279 Y CB -2.296 35.958 38.460 -0.344 0.000 1.594 279 Y HN 0.387 nan 8.280 nan 0.000 0.668 280 N N 1.602 120.080 118.700 -0.370 0.000 2.412 280 N HA 0.019 4.759 4.740 -0.001 0.000 0.258 280 N C 1.113 176.575 175.510 -0.079 0.000 1.236 280 N CA 0.449 53.408 53.050 -0.151 0.000 0.882 280 N CB 0.499 38.904 38.487 -0.137 0.000 1.066 280 N HN 0.494 nan 8.380 nan 0.000 0.465 281 R N 2.500 122.980 120.500 -0.034 0.000 2.210 281 R HA 0.055 4.394 4.340 -0.001 0.000 0.203 281 R C 0.487 176.453 176.300 -0.556 0.000 1.010 281 R CA 0.940 56.920 56.100 -0.200 0.000 1.008 281 R CB 0.313 30.486 30.300 -0.212 0.000 0.923 281 R HN 0.529 nan 8.270 nan 0.000 0.469 282 F N -0.662 119.368 119.950 0.133 0.000 2.817 282 F HA 0.323 4.850 4.527 -0.001 0.000 0.333 282 F C 0.252 176.101 175.800 0.081 0.000 1.085 282 F CA -0.237 57.832 58.000 0.114 0.000 1.170 282 F CB 0.776 39.831 39.000 0.092 0.000 1.066 282 F HN -0.226 nan 8.300 nan 0.000 0.564 283 L N 1.962 123.282 121.223 0.162 0.000 2.342 283 L HA 0.418 4.758 4.340 -0.001 0.000 0.271 283 L C -1.651 175.271 176.870 0.087 0.000 1.008 283 L CA -1.705 53.206 54.840 0.118 0.000 0.818 283 L CB 2.283 44.395 42.059 0.087 0.000 1.296 283 L HN -0.302 nan 8.230 nan 0.000 0.427 284 P HA 0.007 nan 4.420 nan 0.000 0.245 284 P C 0.343 177.715 177.300 0.121 0.000 1.206 284 P CA 0.405 63.582 63.100 0.130 0.000 0.781 284 P CB 0.343 32.140 31.700 0.162 0.000 0.994 285 D N 0.718 121.160 120.400 0.070 0.000 2.144 285 D HA -0.157 4.482 4.640 -0.001 0.000 0.199 285 D C 1.155 177.471 176.300 0.027 0.000 0.984 285 D CA 1.135 55.163 54.000 0.048 0.000 0.834 285 D CB -0.296 40.517 40.800 0.022 0.000 0.955 285 D HN 0.139 nan 8.370 nan 0.000 0.465 286 D N 0.087 120.468 120.400 -0.033 0.000 2.097 286 D HA -0.145 4.495 4.640 -0.001 0.000 0.195 286 D C 1.963 178.291 176.300 0.048 0.000 0.989 286 D CA 0.785 54.718 54.000 -0.110 0.000 0.827 286 D CB -0.503 40.028 40.800 -0.447 0.000 0.966 286 D HN 0.249 nan 8.370 nan 0.000 0.456 287 Y N 1.232 121.561 120.300 0.049 0.000 2.274 287 Y HA -0.104 4.445 4.550 -0.001 0.000 0.290 287 Y C 2.209 178.120 175.900 0.018 0.000 1.145 287 Y CA 1.021 59.106 58.100 -0.026 0.000 1.203 287 Y CB -0.066 38.256 38.460 -0.231 0.000 0.984 287 Y HN -0.060 nan 8.280 nan 0.000 0.533 288 K N -0.263 120.264 120.400 0.212 0.000 2.103 288 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 288 K C 1.671 178.337 176.600 0.111 0.000 1.048 288 K CA 1.410 57.795 56.287 0.163 0.000 0.930 288 K CB -0.155 32.419 32.500 0.124 0.000 0.716 288 K HN 0.285 nan 8.250 nan 0.000 0.444 289 N N 0.454 119.203 118.700 0.082 0.000 2.188 289 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 289 N C 1.815 177.356 175.510 0.051 0.000 1.018 289 N CA 0.833 53.911 53.050 0.047 0.000 0.858 289 N CB -0.290 38.208 38.487 0.019 0.000 0.989 289 N HN -0.055 nan 8.380 nan 0.000 0.426 290 V N 0.737 120.694 119.914 0.071 0.000 2.295 290 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 290 V C 2.434 178.608 176.094 0.133 0.000 1.049 290 V CA 1.149 63.498 62.300 0.081 0.000 1.024 290 V CB -0.558 31.278 31.823 0.022 0.000 0.648 290 V HN 0.050 nan 8.190 nan 0.000 0.447 291 V N -0.060 119.940 119.914 0.145 0.000 2.287 291 V HA -0.325 3.794 4.120 -0.001 0.000 0.248 291 V C 2.445 178.598 176.094 0.098 0.000 1.053 291 V CA 2.544 64.929 62.300 0.142 0.000 1.027 291 V CB -0.645 31.275 31.823 0.162 0.000 0.646 291 V HN 0.558 nan 8.190 nan 0.000 0.447 292 K N -0.401 120.043 120.400 0.073 0.000 2.062 292 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 292 K C 1.632 178.240 176.600 0.013 0.000 1.051 292 K CA 1.620 57.931 56.287 0.040 0.000 0.941 292 K CB 0.020 32.540 32.500 0.032 0.000 0.719 292 K HN 0.465 nan 8.250 nan 0.000 0.440 293 N N -0.745 117.954 118.700 -0.001 0.000 2.257 293 N HA 0.081 4.820 4.740 -0.001 0.000 0.200 293 N C 1.219 176.665 175.510 -0.107 0.000 1.163 293 N CA 0.571 53.588 53.050 -0.054 0.000 0.891 293 N CB 0.642 39.083 38.487 -0.076 0.000 1.067 293 N HN 0.125 nan 8.380 nan 0.000 0.497 294 A N 1.613 124.404 122.820 -0.048 0.000 1.877 294 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 294 A C 2.078 179.510 177.584 -0.253 0.000 1.186 294 A CA 1.498 53.512 52.037 -0.039 0.000 0.620 294 A CB -0.466 18.730 19.000 0.325 0.000 0.822 294 A HN 0.325 nan 8.150 nan 0.000 0.443 295 E N -0.489 119.489 120.200 -0.370 0.000 2.106 295 E HA -0.212 4.138 4.350 -0.001 0.000 0.192 295 E C 2.290 178.671 176.600 -0.366 0.000 0.984 295 E CA 1.023 56.953 56.400 -0.783 0.000 0.806 295 E CB -0.140 29.234 29.700 -0.544 0.000 0.750 295 E HN 0.582 nan 8.360 nan 0.000 0.458 296 R N 0.259 120.650 120.500 -0.182 0.000 2.073 296 R HA -0.123 4.217 4.340 -0.001 0.000 0.234 296 R C 2.283 178.557 176.300 -0.043 0.000 1.134 296 R CA 1.529 57.576 56.100 -0.089 0.000 0.952 296 R CB -0.284 29.983 30.300 -0.055 0.000 0.850 296 R HN 0.102 nan 8.270 nan 0.000 0.433 297 V N 0.671 120.546 119.914 -0.064 0.000 2.332 297 V HA -0.276 3.843 4.120 -0.001 0.000 0.248 297 V C 2.080 178.339 176.094 0.274 0.000 1.055 297 V CA 2.026 64.338 62.300 0.020 0.000 1.038 297 V CB -0.763 30.903 31.823 -0.263 0.000 0.651 297 V HN 0.433 nan 8.190 nan 0.000 0.450 298 Y N 1.410 121.726 120.300 0.026 0.000 2.133 298 Y HA -0.169 4.381 4.550 -0.001 0.000 0.287 298 Y C 2.666 178.695 175.900 0.216 0.000 1.134 298 Y CA 1.670 59.825 58.100 0.090 0.000 1.133 298 Y CB -0.305 37.977 38.460 -0.296 0.000 0.987 298 Y HN 0.075 nan 8.280 nan 0.000 0.502 299 R N 0.382 120.819 120.500 -0.104 0.000 2.237 299 R HA -0.117 4.222 4.340 -0.001 0.000 0.219 299 R C 1.974 178.230 176.300 -0.073 0.000 1.080 299 R CA 1.177 57.177 56.100 -0.167 0.000 0.995 299 R CB -0.242 30.012 30.300 -0.078 0.000 0.875 299 R HN 0.548 nan 8.270 nan 0.000 0.462 300 E N 0.998 121.208 120.200 0.016 0.000 2.160 300 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 300 E C 0.283 176.882 176.600 -0.002 0.000 0.991 300 E CA 1.016 57.430 56.400 0.023 0.000 0.810 300 E CB 0.130 29.867 29.700 0.062 0.000 0.742 300 E HN 0.348 nan 8.360 nan 0.000 0.466 301 R N -1.500 119.012 120.500 0.020 0.000 2.857 301 R HA 0.163 4.503 4.340 -0.001 0.000 0.216 301 R C -2.683 173.587 176.300 -0.050 0.000 1.555 301 R CA -0.901 55.166 56.100 -0.056 0.000 1.408 301 R CB 0.273 30.486 30.300 -0.145 0.000 1.553 301 R HN -0.129 nan 8.270 nan 0.000 0.708 302 P HA -0.197 nan 4.420 nan 0.000 0.216 302 P C 1.499 178.818 177.300 0.032 0.000 1.153 302 P CA 2.160 65.126 63.100 -0.223 0.000 0.858 302 P CB 0.107 31.617 31.700 -0.317 0.000 0.789 303 G N -0.966 107.840 108.800 0.011 0.000 2.442 303 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.219 303 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.219 303 G C 1.656 176.573 174.900 0.030 0.000 1.141 303 G CA 0.709 45.830 45.100 0.035 0.000 0.763 303 G HN 0.229 nan 8.290 nan 0.000 0.554 304 Y N 0.221 120.422 120.300 -0.167 0.000 2.145 304 Y HA -0.135 4.414 4.550 -0.001 0.000 0.286 304 Y C 2.522 178.298 175.900 -0.207 0.000 1.145 304 Y CA 1.589 59.519 58.100 -0.283 0.000 1.148 304 Y CB -0.318 37.819 38.460 -0.539 0.000 0.981 304 Y HN 0.324 nan 8.280 nan 0.000 0.507 305 W N 0.564 121.924 121.300 0.100 0.000 2.381 305 W HA -0.148 4.511 4.660 -0.001 0.000 0.301 305 W C 2.493 179.037 176.519 0.042 0.000 1.205 305 W CA 1.131 58.525 57.345 0.081 0.000 1.285 305 W CB -0.490 29.155 29.460 0.309 0.000 1.133 305 W HN 0.048 nan 8.180 nan 0.000 0.521 306 Q N 0.587 120.567 119.800 0.300 0.000 2.084 306 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 306 Q C 2.062 178.103 176.000 0.067 0.000 0.978 306 Q CA 1.552 57.468 55.803 0.187 0.000 0.844 306 Q CB -0.354 28.485 28.738 0.168 0.000 0.898 306 Q HN 0.044 nan 8.270 nan 0.000 0.426 307 K N 1.235 121.632 120.400 -0.004 0.000 2.097 307 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 307 K C 1.767 178.327 176.600 -0.066 0.000 1.049 307 K CA 1.041 57.298 56.287 -0.049 0.000 0.933 307 K CB -0.277 32.174 32.500 -0.083 0.000 0.717 307 K HN 0.138 nan 8.250 nan 0.000 0.442 308 L N 0.189 121.337 121.223 -0.125 0.000 2.042 308 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 308 L C 2.284 179.186 176.870 0.053 0.000 1.076 308 L CA 0.875 55.677 54.840 -0.063 0.000 0.749 308 L CB -0.555 41.471 42.059 -0.054 0.000 0.893 308 L HN 0.252 nan 8.230 nan 0.000 0.432 309 L N -0.154 121.121 121.223 0.087 0.000 2.005 309 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 309 L C 2.763 179.673 176.870 0.067 0.000 1.072 309 L CA 2.569 57.478 54.840 0.115 0.000 0.744 309 L CB -0.905 41.229 42.059 0.125 0.000 0.895 309 L HN 0.412 nan 8.230 nan 0.000 0.433 310 T N -4.128 110.437 114.554 0.018 0.000 2.867 310 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 310 T C 1.667 176.376 174.700 0.015 0.000 1.057 310 T CA 1.182 63.271 62.100 -0.018 0.000 1.136 310 T CB -0.660 68.185 68.868 -0.039 0.000 0.874 310 T HN 0.300 nan 8.240 nan 0.000 0.466 311 D N 1.388 121.804 120.400 0.027 0.000 2.144 311 D HA -0.045 4.594 4.640 -0.001 0.000 0.199 311 D C 2.111 178.456 176.300 0.075 0.000 0.984 311 D CA 1.162 55.187 54.000 0.040 0.000 0.834 311 D CB -0.255 40.561 40.800 0.027 0.000 0.955 311 D HN 0.386 nan 8.370 nan 0.000 0.465 312 K N 0.908 121.369 120.400 0.102 0.000 2.062 312 K HA 0.013 4.333 4.320 -0.001 0.000 0.205 312 K C 2.028 178.739 176.600 0.186 0.000 1.051 312 K CA 0.687 57.062 56.287 0.147 0.000 0.941 312 K CB -0.484 32.126 32.500 0.183 0.000 0.719 312 K HN 0.130 nan 8.250 nan 0.000 0.440 313 I N 0.996 121.671 120.570 0.174 0.000 2.179 313 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 313 I C 2.043 178.302 176.117 0.237 0.000 1.088 313 I CA 1.286 62.717 61.300 0.218 0.000 1.357 313 I CB -0.305 37.684 38.000 -0.018 0.000 1.051 313 I HN 0.229 nan 8.210 nan 0.000 0.409 314 E N 0.662 120.939 120.200 0.128 0.000 2.072 314 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 314 E C 1.171 177.837 176.600 0.110 0.000 0.985 314 E CA 0.543 57.009 56.400 0.110 0.000 0.801 314 E CB -0.346 29.389 29.700 0.058 0.000 0.750 314 E HN 0.238 nan 8.360 nan 0.000 0.452 318 S N 0.446 116.154 115.700 0.013 0.000 2.359 318 S HA -0.146 4.324 4.470 -0.001 0.000 0.224 318 S C 1.872 176.468 174.600 -0.006 0.000 1.035 318 S CA 1.881 60.085 58.200 0.006 0.000 1.018 318 S CB -0.318 62.897 63.200 0.026 0.000 0.876 318 S HN 0.474 nan 8.310 nan 0.000 0.448 319 V N 1.884 121.799 119.914 0.002 0.000 2.295 319 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 319 V C 2.626 178.712 176.094 -0.014 0.000 1.049 319 V CA 1.747 64.058 62.300 0.019 0.000 1.024 319 V CB -1.211 30.645 31.823 0.056 0.000 0.648 319 V HN 0.544 nan 8.190 nan 0.000 0.447 320 A N -0.059 122.702 122.820 -0.098 0.000 1.902 320 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 320 A C 2.404 179.876 177.584 -0.186 0.000 1.181 320 A CA 2.161 54.071 52.037 -0.211 0.000 0.623 320 A CB -0.580 18.195 19.000 -0.375 0.000 0.818 320 A HN 0.498 nan 8.150 nan 0.000 0.443 321 R N -0.184 120.238 120.500 -0.130 0.000 2.073 321 R HA -0.166 4.174 4.340 -0.001 0.000 0.234 321 R C 2.325 178.584 176.300 -0.069 0.000 1.134 321 R CA 1.970 58.012 56.100 -0.096 0.000 0.952 321 R CB -0.290 29.974 30.300 -0.061 0.000 0.850 321 R HN 0.537 nan 8.270 nan 0.000 0.433 322 K N -0.004 120.372 120.400 -0.040 0.000 2.026 322 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 322 K C 1.224 177.812 176.600 -0.019 0.000 1.048 322 K CA 1.851 58.127 56.287 -0.018 0.000 0.929 322 K CB -0.013 32.489 32.500 0.004 0.000 0.713 322 K HN 0.199 nan 8.250 nan 0.000 0.439 323 N N 1.055 119.745 118.700 -0.018 0.000 2.521 323 N HA -0.019 4.721 4.740 -0.001 0.000 0.188 323 N C -0.621 174.834 175.510 -0.093 0.000 1.146 323 N CA 0.378 53.419 53.050 -0.014 0.000 0.893 323 N CB 0.043 38.576 38.487 0.077 0.000 0.975 323 N HN 0.172 nan 8.380 nan 0.000 0.451 324 R N 0.346 120.771 120.500 -0.125 0.000 3.264 324 R HA -0.171 4.168 4.340 -0.001 0.000 0.251 324 R C -0.797 175.360 176.300 -0.238 0.000 0.971 324 R CA 0.497 56.506 56.100 -0.152 0.000 0.658 324 R CB -1.560 28.680 30.300 -0.099 0.000 1.095 324 R HN 0.106 nan 8.270 nan 0.000 0.443 325 R N 0.347 120.620 120.500 -0.379 0.000 2.628 325 R HA 0.433 4.772 4.340 -0.001 0.000 0.288 325 R C -2.435 173.516 176.300 -0.581 0.000 0.980 325 R CA -2.406 53.350 56.100 -0.573 0.000 0.891 325 R CB 1.711 31.375 30.300 -1.061 0.000 1.188 325 R HN -0.041 nan 8.270 nan 0.000 0.450 326 P HA 0.271 nan 4.420 nan 0.000 0.275 326 P C -0.450 176.536 177.300 -0.525 0.000 1.228 326 P CA -0.322 62.530 63.100 -0.413 0.000 0.786 326 P CB 0.869 32.401 31.700 -0.280 0.000 0.927 327 L N 1.925 122.803 121.223 -0.575 0.000 2.331 327 L HA 0.602 4.941 4.340 -0.001 0.000 0.275 327 L C -0.156 176.456 176.870 -0.431 0.000 1.022 327 L CA -1.058 53.340 54.840 -0.738 0.000 0.812 327 L CB 1.893 42.985 42.059 -1.611 0.000 1.257 327 L HN 0.092 nan 8.230 nan 0.000 0.435 328 V N 0.950 120.745 119.914 -0.198 0.000 2.638 328 V HA 0.499 4.619 4.120 -0.001 0.000 0.306 328 V C -0.498 175.747 176.094 0.252 0.000 1.052 328 V CA -0.441 61.923 62.300 0.106 0.000 0.885 328 V CB 2.296 34.075 31.823 -0.074 0.000 0.999 328 V HN 0.767 nan 8.190 nan 0.000 0.424 329 T N 2.121 116.906 114.554 0.384 0.000 2.840 329 T HA 0.393 4.743 4.350 -0.001 0.000 0.287 329 T C 0.637 175.294 174.700 -0.072 0.000 0.991 329 T CA 0.066 62.246 62.100 0.132 0.000 0.964 329 T CB 1.482 70.361 68.868 0.020 0.000 0.954 329 T HN 0.939 nan 8.240 nan 0.000 0.438 330 T N -0.457 114.013 114.554 -0.140 0.000 3.010 330 T HA 0.305 4.654 4.350 -0.001 0.000 0.257 330 T C 0.207 174.683 174.700 -0.375 0.000 1.020 330 T CA -0.212 61.782 62.100 -0.178 0.000 0.938 330 T CB 0.291 69.130 68.868 -0.049 0.000 1.049 330 T HN 0.528 nan 8.240 nan 0.000 0.522 331 E N 1.175 120.989 120.200 -0.644 0.000 2.216 331 E HA 0.576 4.926 4.350 -0.001 0.000 0.260 331 E C -0.708 175.147 176.600 -1.242 0.000 0.880 331 E CA -0.934 55.006 56.400 -0.766 0.000 0.765 331 E CB 1.794 30.975 29.700 -0.865 0.000 1.174 331 E HN 0.619 nan 8.360 nan 0.000 0.417 332 C N -0.046 118.597 119.300 -1.095 0.000 3.056 332 C HA 0.378 4.838 4.460 -0.001 0.000 0.336 332 C C -0.856 173.852 174.990 -0.471 0.000 1.356 332 C CA -0.916 57.303 59.018 -1.331 0.000 1.216 332 C CB 0.217 26.651 27.740 -2.177 0.000 1.391 332 C HN 1.020 nan 8.230 nan 0.000 0.445 333 W N -0.018 121.302 121.300 0.034 0.000 2.868 333 W HA 0.492 5.152 4.660 -0.001 0.000 0.320 333 W C 1.577 178.176 176.519 0.132 0.000 1.076 333 W CA 0.732 58.066 57.345 -0.017 0.000 1.576 333 W CB 0.493 29.936 29.460 -0.030 0.000 1.030 333 W HN 1.122 nan 8.180 nan 0.000 0.558 334 G N 0.416 109.437 108.800 0.368 0.000 2.651 334 G HA2 0.267 4.227 3.960 -0.001 0.000 0.226 334 G HA3 0.267 4.227 3.960 -0.001 0.000 0.226 334 G C -0.325 174.579 174.900 0.008 0.000 1.542 334 G CA 0.352 45.508 45.100 0.093 0.000 0.868 334 G HN -0.167 nan 8.290 nan 0.000 0.588 335 L N 0.260 121.460 121.223 -0.038 0.000 2.334 335 L HA 0.464 4.803 4.340 -0.001 0.000 0.275 335 L C 1.404 178.245 176.870 -0.048 0.000 1.036 335 L CA -0.276 54.489 54.840 -0.124 0.000 0.807 335 L CB 2.228 44.141 42.059 -0.244 0.000 1.231 335 L HN 0.044 nan 8.230 nan 0.000 0.438 336 V N -0.209 119.508 119.914 -0.328 0.000 2.323 336 V HA -0.049 4.071 4.120 -0.001 0.000 0.244 336 V C -0.026 176.129 176.094 0.103 0.000 1.041 336 V CA 1.297 63.148 62.300 -0.748 0.000 1.025 336 V CB -0.321 31.149 31.823 -0.590 0.000 0.656 336 V HN 0.712 nan 8.190 nan 0.000 0.451 337 D N -1.566 118.957 120.400 0.206 0.000 2.391 337 D HA 0.608 5.247 4.640 -0.001 0.000 0.245 337 D C -1.233 175.168 176.300 0.167 0.000 1.069 337 D CA -0.113 54.073 54.000 0.309 0.000 0.831 337 D CB 2.142 42.974 40.800 0.054 0.000 1.204 337 D HN 0.150 nan 8.370 nan 0.000 0.503 338 Y N 0.895 121.119 120.300 -0.127 0.000 2.689 338 Y HA 0.418 4.967 4.550 -0.001 0.000 0.333 338 Y C -1.110 174.512 175.900 -0.463 0.000 1.208 338 Y CA -0.735 57.021 58.100 -0.574 0.000 1.055 338 Y CB 1.791 39.429 38.460 -1.370 0.000 1.304 338 Y HN 0.388 nan 8.280 nan 0.000 0.455 339 K N 0.345 120.400 120.400 -0.575 0.000 2.642 339 K HA 0.359 4.678 4.320 -0.001 0.000 0.290 339 K C -2.156 174.427 176.600 -0.028 0.000 1.006 339 K CA -1.073 55.161 56.287 -0.089 0.000 0.869 339 K CB 1.252 33.546 32.500 -0.343 0.000 1.499 339 K HN 0.339 nan 8.250 nan 0.000 0.403 340 D N 1.149 121.733 120.400 0.308 0.000 2.417 340 D HA 0.142 4.781 4.640 -0.001 0.000 0.250 340 D C -0.756 175.708 176.300 0.274 0.000 1.166 340 D CA 0.733 54.931 54.000 0.329 0.000 0.881 340 D CB 0.334 41.271 40.800 0.228 0.000 1.164 340 D HN 0.384 nan 8.370 nan 0.000 0.467 341 W N 3.018 124.245 121.300 -0.122 0.000 3.298 341 W HA 0.105 4.764 4.660 -0.001 0.000 0.302 341 W C -2.519 173.922 176.519 -0.130 0.000 1.255 341 W CA -1.464 55.766 57.345 -0.192 0.000 1.196 341 W CB 1.670 30.911 29.460 -0.366 0.000 1.364 341 W HN 0.163 nan 8.180 nan 0.000 0.566 342 P HA 0.066 nan 4.420 nan 0.000 0.262 342 P C 0.526 177.784 177.300 -0.070 0.000 1.182 342 P CA 0.925 63.890 63.100 -0.225 0.000 0.761 342 P CB 0.612 32.093 31.700 -0.365 0.000 0.795 343 L N -0.548 120.674 121.223 -0.003 0.000 4.937 343 L HA -0.227 4.112 4.340 -0.001 0.000 0.422 343 L C 0.161 177.083 176.870 0.087 0.000 1.059 343 L CA 0.453 55.323 54.840 0.050 0.000 1.111 343 L CB -1.680 40.406 42.059 0.044 0.000 2.033 343 L HN 0.436 nan 8.230 nan 0.000 0.708 344 L N 1.620 122.869 121.223 0.043 0.000 2.255 344 L HA 0.334 4.673 4.340 -0.001 0.000 0.289 344 L C 0.653 177.526 176.870 0.005 0.000 1.046 344 L CA -0.062 54.745 54.840 -0.054 0.000 0.816 344 L CB 1.074 42.822 42.059 -0.519 0.000 1.197 344 L HN 0.041 nan 8.230 nan 0.000 0.427 345 K N 2.518 123.028 120.400 0.184 0.000 2.143 345 K HA 0.140 4.459 4.320 -0.001 0.000 0.272 345 K C -0.161 176.457 176.600 0.030 0.000 1.001 345 K CA -0.303 56.104 56.287 0.200 0.000 0.915 345 K CB 1.535 34.217 32.500 0.303 0.000 1.047 345 K HN 0.487 nan 8.250 nan 0.000 0.458 346 W N 1.321 122.630 121.300 0.015 0.000 2.996 346 W HA -0.058 4.602 4.660 -0.001 0.000 0.270 346 W C 1.554 177.896 176.519 -0.295 0.000 1.280 346 W CA 0.238 57.467 57.345 -0.194 0.000 1.549 346 W CB 0.112 29.484 29.460 -0.147 0.000 1.079 346 W HN 0.779 nan 8.180 nan 0.000 0.629 347 D N 0.713 121.161 120.400 0.080 0.000 2.106 347 D HA -0.290 4.350 4.640 -0.001 0.000 0.191 347 D C 1.867 178.203 176.300 0.060 0.000 0.997 347 D CA 2.085 56.131 54.000 0.076 0.000 0.834 347 D CB -1.732 39.163 40.800 0.159 0.000 0.956 347 D HN 0.409 nan 8.370 nan 0.000 0.448 348 W N 1.323 122.623 121.300 0.000 0.000 2.467 348 W HA 0.027 4.686 4.660 -0.001 0.000 0.275 348 W C 1.614 177.996 176.519 -0.228 0.000 1.239 348 W CA 0.472 57.778 57.345 -0.065 0.000 1.266 348 W CB -1.057 28.381 29.460 -0.037 0.000 1.112 348 W HN -0.109 nan 8.180 nan 0.000 0.576 349 V N 2.485 121.797 119.914 -1.003 0.000 2.307 349 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 349 V C 2.668 178.574 176.094 -0.313 0.000 1.045 349 V CA 2.318 64.046 62.300 -0.953 0.000 1.024 349 V CB -0.871 30.171 31.823 -1.302 0.000 0.651 349 V HN 0.065 nan 8.190 nan 0.000 0.449 350 K N -0.114 120.177 120.400 -0.183 0.000 2.097 350 K HA -0.194 4.126 4.320 -0.001 0.000 0.206 350 K C 1.879 178.632 176.600 0.255 0.000 1.049 350 K CA 1.631 57.914 56.287 -0.006 0.000 0.933 350 K CB -0.346 31.924 32.500 -0.384 0.000 0.717 350 K HN 0.435 nan 8.250 nan 0.000 0.442 351 D N 1.215 121.708 120.400 0.155 0.000 2.123 351 D HA -0.144 4.495 4.640 -0.001 0.000 0.196 351 D C 1.921 178.315 176.300 0.156 0.000 0.992 351 D CA 1.047 55.167 54.000 0.199 0.000 0.833 351 D CB -0.197 40.732 40.800 0.216 0.000 0.954 351 D HN 0.109 nan 8.370 nan 0.000 0.455 352 L N -0.050 121.224 121.223 0.084 0.000 2.093 352 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 352 L C 2.595 179.539 176.870 0.123 0.000 1.085 352 L CA 0.688 55.572 54.840 0.074 0.000 0.755 352 L CB -0.241 41.807 42.059 -0.019 0.000 0.904 352 L HN 0.122 nan 8.230 nan 0.000 0.435 353 C N -0.334 119.101 119.300 0.225 0.000 2.425 353 C HA -0.169 4.291 4.460 -0.001 0.000 0.277 353 C C 2.777 177.890 174.990 0.206 0.000 1.280 353 C CA 1.070 60.323 59.018 0.391 0.000 1.744 353 C CB -0.644 27.426 27.740 0.549 0.000 1.989 353 C HN 0.576 nan 8.230 nan 0.000 0.491 354 E N 0.582 120.900 120.200 0.197 0.000 2.047 354 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 354 E C 2.063 178.571 176.600 -0.153 0.000 0.987 354 E CA 1.109 57.492 56.400 -0.030 0.000 0.799 354 E CB -0.241 29.487 29.700 0.045 0.000 0.752 354 E HN 0.484 nan 8.360 nan 0.000 0.449 355 L N 0.772 121.934 121.223 -0.102 0.000 2.017 355 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 355 L C 2.274 178.922 176.870 -0.370 0.000 1.073 355 L CA 2.471 57.211 54.840 -0.166 0.000 0.745 355 L CB -1.004 41.017 42.059 -0.064 0.000 0.894 355 L HN 0.246 nan 8.230 nan 0.000 0.432 356 G N -1.679 106.805 108.800 -0.526 0.000 2.491 356 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.218 356 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.218 356 G C 1.440 175.340 174.900 -1.667 0.000 1.180 356 G CA 1.368 45.737 45.100 -1.218 0.000 0.774 356 G HN 0.443 nan 8.290 nan 0.000 0.562 357 T N 1.347 115.180 114.554 -1.201 0.000 2.652 357 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 357 T C 2.403 176.799 174.700 -0.507 0.000 1.039 357 T CA 1.276 62.997 62.100 -0.632 0.000 1.153 357 T CB -0.218 68.507 68.868 -0.238 0.000 0.863 357 T HN 0.250 nan 8.240 nan 0.000 0.428 358 I N 1.039 121.363 120.570 -0.411 0.000 2.226 358 I HA -0.183 3.986 4.170 -0.001 0.000 0.245 358 I C 2.727 178.659 176.117 -0.308 0.000 1.100 358 I CA 1.179 62.300 61.300 -0.299 0.000 1.374 358 I CB -0.701 37.161 38.000 -0.228 0.000 1.057 358 I HN 0.272 nan 8.210 nan 0.000 0.413 359 T N 0.757 115.084 114.554 -0.379 0.000 2.746 359 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 359 T C 2.038 176.525 174.700 -0.354 0.000 1.039 359 T CA 1.494 63.402 62.100 -0.320 0.000 1.142 359 T CB -0.296 68.380 68.868 -0.320 0.000 0.866 359 T HN 0.479 nan 8.240 nan 0.000 0.444 360 A N 1.435 123.889 122.820 -0.609 0.000 1.898 360 A HA 0.266 4.585 4.320 -0.001 0.000 0.216 360 A C 2.678 180.047 177.584 -0.358 0.000 1.181 360 A CA 1.643 53.228 52.037 -0.752 0.000 0.620 360 A CB -1.149 16.980 19.000 -1.452 0.000 0.819 360 A HN 0.486 nan 8.150 nan 0.000 0.442 361 A N 0.011 122.645 122.820 -0.310 0.000 1.948 361 A HA -0.220 4.100 4.320 -0.001 0.000 0.220 361 A C 2.200 179.748 177.584 -0.060 0.000 1.177 361 A CA 1.733 53.689 52.037 -0.134 0.000 0.636 361 A CB -0.485 18.423 19.000 -0.153 0.000 0.815 361 A HN 0.553 nan 8.150 nan 0.000 0.449 362 R N -0.684 119.763 120.500 -0.087 0.000 2.235 362 R HA -0.063 4.277 4.340 -0.001 0.000 0.213 362 R C 2.268 178.569 176.300 0.002 0.000 1.059 362 R CA 1.453 57.525 56.100 -0.047 0.000 0.997 362 R CB -0.453 29.807 30.300 -0.067 0.000 0.884 362 R HN 0.797 nan 8.270 nan 0.000 0.462 363 T N -2.434 112.151 114.554 0.051 0.000 2.951 363 T HA 0.119 4.469 4.350 -0.001 0.000 0.268 363 T C 1.141 175.899 174.700 0.098 0.000 1.073 363 T CA 0.479 62.644 62.100 0.108 0.000 1.134 363 T CB -0.060 68.953 68.868 0.241 0.000 0.884 363 T HN 0.402 nan 8.240 nan 0.000 0.479 367 V N 0.520 120.508 119.914 0.124 0.000 3.660 367 V HA 0.548 4.668 4.120 -0.001 0.000 0.276 367 V C 0.440 176.599 176.094 0.108 0.000 1.317 367 V CA 0.972 63.315 62.300 0.072 0.000 1.097 367 V CB 0.814 32.630 31.823 -0.011 0.000 0.863 367 V HN 0.538 nan 8.190 nan 0.000 0.438 368 G N 0.296 109.210 108.800 0.189 0.000 2.704 368 G HA2 0.588 4.548 3.960 -0.001 0.000 0.279 368 G HA3 0.588 4.548 3.960 -0.001 0.000 0.279 368 G C -1.414 173.648 174.900 0.270 0.000 1.510 368 G CA -0.291 44.923 45.100 0.189 0.000 1.144 368 G HN 0.160 nan 8.290 nan 0.000 0.564 369 V N 1.521 121.554 119.914 0.198 0.000 2.495 369 V HA 0.815 4.934 4.120 -0.001 0.000 0.298 369 V C 0.479 176.685 176.094 0.188 0.000 1.031 369 V CA -0.731 61.673 62.300 0.174 0.000 0.871 369 V CB 1.418 33.295 31.823 0.089 0.000 0.988 369 V HN 1.054 nan 8.190 nan 0.000 0.432 370 A N 2.838 125.762 122.820 0.173 0.000 2.306 370 A HA 0.680 5.000 4.320 -0.001 0.000 0.330 370 A C 1.093 178.864 177.584 0.312 0.000 1.146 370 A CA 0.221 52.372 52.037 0.190 0.000 0.827 370 A CB 1.252 20.257 19.000 0.009 0.000 1.178 370 A HN 0.977 nan 8.150 nan 0.000 0.490 371 T N -1.433 113.366 114.554 0.408 0.000 2.978 371 T HA 0.286 4.636 4.350 -0.001 0.000 0.262 371 T C 0.752 175.734 174.700 0.471 0.000 1.063 371 T CA 1.000 63.401 62.100 0.502 0.000 1.140 371 T CB -0.484 68.735 68.868 0.584 0.000 0.886 371 T HN 1.830 nan 8.240 nan 0.000 0.470 372 S N 1.172 117.033 115.700 0.267 0.000 2.615 372 S HA 0.300 4.769 4.470 -0.001 0.000 0.268 372 S C -0.664 173.886 174.600 -0.084 0.000 1.146 372 S CA -0.674 57.586 58.200 0.100 0.000 0.818 372 S CB 0.608 64.004 63.200 0.326 0.000 1.111 372 S HN 0.292 nan 8.310 nan 0.000 0.465 373 N N 0.035 118.526 118.700 -0.348 0.000 2.362 373 N HA 0.142 4.881 4.740 -0.001 0.000 0.204 373 N C -0.511 174.709 175.510 -0.485 0.000 1.166 373 N CA -0.059 52.766 53.050 -0.374 0.000 0.831 373 N CB -0.719 37.577 38.487 -0.318 0.000 1.008 373 N HN 0.553 nan 8.380 nan 0.000 0.472 374 F N -0.354 119.651 119.950 0.092 0.000 2.805 374 F HA 0.290 4.816 4.527 -0.001 0.000 0.317 374 F C 0.588 176.473 175.800 0.141 0.000 1.146 374 F CA -1.300 56.522 58.000 -0.297 0.000 1.265 374 F CB -0.334 38.421 39.000 -0.407 0.000 0.992 374 F HN 0.051 nan 8.300 nan 0.000 0.511 375 C N 2.299 121.819 119.300 0.367 0.000 2.700 375 C HA 0.790 5.250 4.460 -0.001 0.000 0.529 375 C C 0.790 176.099 174.990 0.531 0.000 1.093 375 C CA 0.015 59.316 59.018 0.471 0.000 1.320 375 C CB -1.986 25.909 27.740 0.257 0.000 1.478 375 C HN 0.650 nan 8.230 nan 0.000 0.598 376 G N 3.795 112.801 108.800 0.344 0.000 2.698 376 G HA2 0.473 4.433 3.960 -0.001 0.000 0.293 376 G HA3 0.473 4.433 3.960 -0.001 0.000 0.293 376 G C -2.199 172.200 174.900 -0.835 0.000 1.437 376 G CA -0.544 44.380 45.100 -0.293 0.000 0.852 376 G HN 0.073 nan 8.290 nan 0.000 0.499 377 P HA -0.161 nan 4.420 nan 0.000 0.221 377 P C 1.383 178.248 177.300 -0.725 0.000 1.145 377 P CA 1.123 63.379 63.100 -1.406 0.000 0.795 377 P CB 0.295 31.191 31.700 -1.340 0.000 0.775 378 Q N -0.604 118.808 119.800 -0.647 0.000 2.451 378 Q HA -0.033 4.306 4.340 -0.001 0.000 0.206 378 Q C -0.108 175.532 176.000 -0.601 0.000 0.947 378 Q CA 0.569 56.025 55.803 -0.578 0.000 0.937 378 Q CB -0.539 27.836 28.738 -0.605 0.000 1.025 378 Q HN 0.231 nan 8.270 nan 0.000 0.511 379 F N 1.242 121.093 119.950 -0.165 0.000 2.344 379 F HA 0.527 5.053 4.527 -0.001 0.000 0.344 379 F C 1.281 176.955 175.800 -0.210 0.000 1.140 379 F CA -0.534 57.396 58.000 -0.117 0.000 1.256 379 F CB 0.767 39.760 39.000 -0.012 0.000 1.573 379 F HN 0.045 nan 8.300 nan 0.000 0.547 380 A N 1.906 124.690 122.820 -0.060 0.000 1.948 380 A HA 0.010 4.329 4.320 -0.001 0.000 0.220 380 A C 1.950 179.414 177.584 -0.200 0.000 1.177 380 A CA 1.376 53.383 52.037 -0.050 0.000 0.636 380 A CB -1.062 17.919 19.000 -0.031 0.000 0.815 380 A HN 0.658 nan 8.150 nan 0.000 0.449 384 R N 0.961 121.506 120.500 0.075 0.000 2.148 384 R HA -0.036 4.303 4.340 -0.001 0.000 0.223 384 R C 0.379 176.672 176.300 -0.012 0.000 1.088 384 R CA 1.471 57.568 56.100 -0.005 0.000 0.985 384 R CB -0.687 29.615 30.300 0.004 0.000 0.880 384 R HN -0.171 nan 8.270 nan 0.000 0.451 385 D N 1.551 121.962 120.400 0.018 0.000 2.470 385 D HA 0.054 4.693 4.640 -0.001 0.000 0.226 385 D C 1.053 177.459 176.300 0.177 0.000 1.196 385 D CA -0.227 53.805 54.000 0.052 0.000 0.979 385 D CB 1.200 41.985 40.800 -0.024 0.000 1.059 385 D HN -0.045 nan 8.370 nan 0.000 0.515 386 V N 3.629 123.604 119.914 0.102 0.000 2.287 386 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 386 V C 2.212 178.390 176.094 0.141 0.000 1.053 386 V CA 1.493 63.853 62.300 0.100 0.000 1.027 386 V CB -0.282 31.540 31.823 -0.001 0.000 0.646 386 V HN 0.492 nan 8.190 nan 0.000 0.447 387 E N -1.220 119.044 120.200 0.107 0.000 2.204 387 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 387 E C 1.751 178.412 176.600 0.102 0.000 0.989 387 E CA 1.217 57.664 56.400 0.079 0.000 0.824 387 E CB -0.344 29.390 29.700 0.056 0.000 0.756 387 E HN 0.845 nan 8.360 nan 0.000 0.477 388 W N 1.786 123.053 121.300 -0.055 0.000 2.355 388 W HA -0.197 4.462 4.660 -0.001 0.000 0.309 388 W C 2.236 178.671 176.519 -0.140 0.000 1.206 388 W CA 1.800 59.075 57.345 -0.117 0.000 1.284 388 W CB -0.234 29.114 29.460 -0.187 0.000 1.145 388 W HN 0.153 nan 8.180 nan 0.000 0.502 389 H N 0.306 119.550 119.070 0.289 0.000 2.321 389 H HA -0.112 4.443 4.556 -0.001 0.000 0.300 389 H C 2.088 177.324 175.328 -0.154 0.000 1.087 389 H CA 1.971 58.078 56.048 0.098 0.000 1.319 389 H CB -0.487 29.412 29.762 0.229 0.000 1.379 389 H HN 0.240 nan 8.280 nan 0.000 0.501 390 K N 0.459 120.870 120.400 0.019 0.000 2.063 390 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 390 K C 2.369 178.889 176.600 -0.133 0.000 1.048 390 K CA 0.567 56.808 56.287 -0.077 0.000 0.928 390 K CB 0.061 32.537 32.500 -0.040 0.000 0.713 390 K HN 0.053 nan 8.250 nan 0.000 0.442 391 R N 1.363 121.774 120.500 -0.148 0.000 2.081 391 R HA -0.079 4.261 4.340 -0.001 0.000 0.235 391 R C 2.181 178.335 176.300 -0.243 0.000 1.131 391 R CA 1.295 57.286 56.100 -0.181 0.000 0.960 391 R CB -0.382 29.809 30.300 -0.181 0.000 0.856 391 R HN 0.221 nan 8.270 nan 0.000 0.436 392 L N -0.091 120.926 121.223 -0.343 0.000 2.095 392 L HA -0.103 4.236 4.340 -0.001 0.000 0.204 392 L C 2.546 179.261 176.870 -0.259 0.000 1.080 392 L CA 1.684 56.315 54.840 -0.349 0.000 0.759 392 L CB -0.717 41.041 42.059 -0.501 0.000 0.914 392 L HN 0.289 nan 8.230 nan 0.000 0.439 393 T N -3.094 111.286 114.554 -0.290 0.000 2.833 393 T HA -0.161 4.188 4.350 -0.001 0.000 0.269 393 T C 2.022 176.601 174.700 -0.203 0.000 1.054 393 T CA 1.278 63.193 62.100 -0.308 0.000 1.135 393 T CB -0.497 68.069 68.868 -0.503 0.000 0.869 393 T HN 0.429 nan 8.240 nan 0.000 0.466 394 S N 1.505 117.100 115.700 -0.175 0.000 2.406 394 S HA 0.051 4.520 4.470 -0.001 0.000 0.228 394 S C 2.065 176.596 174.600 -0.115 0.000 1.020 394 S CA 0.512 58.635 58.200 -0.128 0.000 0.965 394 S CB -0.837 62.298 63.200 -0.108 0.000 0.798 394 S HN 0.555 nan 8.310 nan 0.000 0.488 395 I N 1.440 121.930 120.570 -0.133 0.000 2.179 395 I HA -0.135 4.034 4.170 -0.001 0.000 0.242 395 I C 2.427 178.482 176.117 -0.103 0.000 1.088 395 I CA 1.383 62.610 61.300 -0.120 0.000 1.357 395 I CB -0.405 37.507 38.000 -0.148 0.000 1.051 395 I HN 0.277 nan 8.210 nan 0.000 0.409 396 I N 0.425 120.929 120.570 -0.110 0.000 2.208 396 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 396 I C 2.528 178.614 176.117 -0.051 0.000 1.097 396 I CA 1.605 62.861 61.300 -0.073 0.000 1.363 396 I CB -0.351 37.613 38.000 -0.061 0.000 1.051 396 I HN 0.161 nan 8.210 nan 0.000 0.413 397 R N 0.135 120.594 120.500 -0.068 0.000 2.240 397 R HA -0.013 4.326 4.340 -0.001 0.000 0.203 397 R C 1.915 178.187 176.300 -0.046 0.000 1.011 397 R CA 1.181 57.249 56.100 -0.053 0.000 1.007 397 R CB -0.087 30.173 30.300 -0.067 0.000 0.911 397 R HN 0.399 nan 8.270 nan 0.000 0.468 398 S N -0.918 114.751 115.700 -0.052 0.000 2.572 398 S HA 0.186 4.655 4.470 -0.001 0.000 0.228 398 S C 0.259 174.836 174.600 -0.038 0.000 0.963 398 S CA -0.626 57.547 58.200 -0.045 0.000 0.939 398 S CB 0.584 63.753 63.200 -0.051 0.000 0.804 398 S HN -0.122 nan 8.310 nan 0.000 0.480 399 S N 4.826 120.506 115.700 -0.034 0.000 2.513 399 S HA 0.462 4.932 4.470 -0.001 0.000 0.276 399 S C -2.327 172.266 174.600 -0.012 0.000 1.254 399 S CA -0.896 57.290 58.200 -0.024 0.000 1.053 399 S CB 0.795 63.982 63.200 -0.021 0.000 0.958 399 S HN 0.438 nan 8.310 nan 0.000 0.491 400 P HA 0.261 nan 4.420 nan 0.000 0.277 400 P C -0.682 176.617 177.300 -0.001 0.000 1.240 400 P CA -0.484 62.610 63.100 -0.010 0.000 0.798 400 P CB 0.562 32.254 31.700 -0.014 0.000 0.979 401 L N 1.218 122.437 121.223 -0.006 0.000 2.418 401 L HA 0.270 4.610 4.340 -0.001 0.000 0.265 401 L C 0.949 177.810 176.870 -0.015 0.000 1.143 401 L CA -0.469 54.366 54.840 -0.008 0.000 0.809 401 L CB 0.258 42.305 42.059 -0.020 0.000 1.124 401 L HN 0.380 nan 8.230 nan 0.000 0.456 402 D N 0.539 120.926 120.400 -0.021 0.000 2.345 402 D HA 0.198 4.837 4.640 -0.001 0.000 0.247 402 D C 1.107 177.385 176.300 -0.037 0.000 1.108 402 D CA 0.571 54.555 54.000 -0.027 0.000 0.894 402 D CB 1.458 42.237 40.800 -0.035 0.000 1.203 402 D HN 0.635 nan 8.370 nan 0.000 0.430 403 E N 1.467 121.648 120.200 -0.032 0.000 2.130 403 E HA -0.241 4.108 4.350 -0.001 0.000 0.196 403 E C 1.889 178.463 176.600 -0.042 0.000 0.998 403 E CA 1.858 58.238 56.400 -0.033 0.000 0.806 403 E CB -1.152 nan 29.700 nan 0.000 0.738 403 E HN 0.568 nan 8.360 nan 0.000 0.459 404 S N -0.714 114.956 115.700 -0.049 0.000 2.465 404 S HA -0.009 4.461 4.470 -0.001 0.000 0.241 404 S C 1.867 176.420 174.600 -0.078 0.000 1.000 404 S CA 1.441 59.604 58.200 -0.061 0.000 0.964 404 S CB -0.047 63.112 63.200 -0.070 0.000 0.763 404 S HN 0.336 nan 8.310 nan 0.000 0.512 405 L N 1.537 122.712 121.223 -0.079 0.000 2.362 405 L HA 0.231 4.570 4.340 -0.001 0.000 0.204 405 L C 2.671 179.498 176.870 -0.071 0.000 1.060 405 L CA 1.774 56.559 54.840 -0.092 0.000 0.827 405 L CB -0.676 41.322 42.059 -0.101 0.000 1.027 405 L HN 0.596 nan 8.230 nan 0.000 0.474 406 T N -3.527 110.994 114.554 -0.055 0.000 3.067 406 T HA 0.223 4.572 4.350 -0.001 0.000 0.257 406 T C 0.753 175.430 174.700 -0.039 0.000 1.105 406 T CA 0.676 62.749 62.100 -0.045 0.000 1.104 406 T CB -0.389 68.457 68.868 -0.037 0.000 0.925 406 T HN 0.146 nan 8.240 nan 0.000 0.498 407 K N 0.981 121.358 120.400 -0.039 0.000 2.324 407 K HA 0.632 4.951 4.320 -0.001 0.000 0.253 407 K C 0.084 176.664 176.600 -0.034 0.000 0.932 407 K CA -0.712 55.556 56.287 -0.032 0.000 0.799 407 K CB 0.200 nan 32.500 nan 0.000 1.154 407 K HN 0.107 nan 8.250 nan 0.000 0.425 408 N N 1.219 119.901 118.700 -0.029 0.000 2.714 408 N HA -0.167 4.573 4.740 -0.001 0.000 0.252 408 N C -0.868 174.621 175.510 -0.035 0.000 1.014 408 N CA 1.197 54.230 53.050 -0.028 0.000 0.735 408 N CB -0.778 37.694 38.487 -0.024 0.000 0.924 408 N HN 0.742 nan 8.380 nan 0.000 0.540 409 N N 0.027 118.703 118.700 -0.040 0.000 2.648 409 N HA 0.143 4.883 4.740 -0.001 0.000 0.261 409 N C 0.566 176.048 175.510 -0.047 0.000 1.138 409 N CA -0.326 52.694 53.050 -0.050 0.000 0.804 409 N CB 0.853 39.300 38.487 -0.068 0.000 1.237 409 N HN 0.307 nan 8.380 nan 0.000 0.532 410 E N 1.329 121.508 120.200 -0.036 0.000 2.106 410 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 410 E C 1.112 177.692 176.600 -0.034 0.000 0.984 410 E CA 1.054 57.437 56.400 -0.028 0.000 0.806 410 E CB 0.500 30.190 29.700 -0.016 0.000 0.750 410 E HN 0.351 nan 8.360 nan 0.000 0.458 411 V N 0.768 120.656 119.914 -0.043 0.000 2.323 411 V HA -0.191 3.929 4.120 -0.001 0.000 0.244 411 V C 2.317 178.364 176.094 -0.079 0.000 1.041 411 V CA 1.712 63.982 62.300 -0.050 0.000 1.025 411 V CB -0.548 31.243 31.823 -0.053 0.000 0.656 411 V HN 0.379 nan 8.190 nan 0.000 0.451 412 A N -0.009 122.752 122.820 -0.099 0.000 2.015 412 A HA -0.038 4.282 4.320 -0.001 0.000 0.219 412 A C 2.369 179.900 177.584 -0.089 0.000 1.163 412 A CA 1.733 53.700 52.037 -0.118 0.000 0.646 412 A CB -0.640 18.282 19.000 -0.130 0.000 0.806 412 A HN 0.558 nan 8.150 nan 0.000 0.448 413 A N 1.043 123.822 122.820 -0.068 0.000 2.019 413 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 413 A C 2.022 179.574 177.584 -0.053 0.000 1.164 413 A CA 1.736 53.741 52.037 -0.054 0.000 0.644 413 A CB -0.493 18.482 19.000 -0.041 0.000 0.805 413 A HN 0.711 nan 8.150 nan 0.000 0.449 414 K N -0.776 119.591 120.400 -0.056 0.000 2.147 414 K HA -0.066 4.253 4.320 -0.001 0.000 0.205 414 K C 1.724 178.281 176.600 -0.071 0.000 1.049 414 K CA 1.401 57.654 56.287 -0.057 0.000 0.936 414 K CB -0.412 32.058 32.500 -0.051 0.000 0.722 414 K HN 0.363 nan 8.250 nan 0.000 0.446 415 L N 1.006 122.181 121.223 -0.081 0.000 2.202 415 L HA 0.094 4.433 4.340 -0.001 0.000 0.205 415 L C 1.869 178.703 176.870 -0.060 0.000 1.083 415 L CA 1.105 55.900 54.840 -0.076 0.000 0.790 415 L CB -0.343 41.659 42.059 -0.095 0.000 0.942 415 L HN 0.006 nan 8.230 nan 0.000 0.452 416 L N 0.092 121.277 121.223 -0.063 0.000 2.079 416 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 416 L C 2.486 179.330 176.870 -0.043 0.000 1.081 416 L CA 1.489 56.298 54.840 -0.051 0.000 0.752 416 L CB -1.094 40.934 42.059 -0.052 0.000 0.896 416 L HN 0.066 nan 8.230 nan 0.000 0.433 417 K N -0.756 119.618 120.400 -0.044 0.000 2.555 417 K HA 0.048 4.367 4.320 -0.001 0.000 0.193 417 K C 1.848 178.423 176.600 -0.041 0.000 1.032 417 K CA 0.609 56.873 56.287 -0.038 0.000 1.004 417 K CB -0.488 31.991 32.500 -0.036 0.000 0.804 417 K HN 0.491 nan 8.250 nan 0.000 0.496 418 R N -0.689 119.784 120.500 -0.045 0.000 2.404 418 R HA 0.322 4.661 4.340 -0.001 0.000 0.237 418 R C 0.692 176.967 176.300 -0.043 0.000 0.907 418 R CA -0.178 55.893 56.100 -0.049 0.000 1.063 418 R CB 0.034 30.298 30.300 -0.059 0.000 1.134 418 R HN 0.181 nan 8.270 nan 0.000 0.529 419 L N 0.000 121.202 121.223 -0.035 0.000 2.949 419 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 419 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 419 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 419 L HN 0.000 nan 8.230 nan 0.000 0.502