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 2oal_1_B DATA FIRST_RESID 2 DATA SEQUENCE SGKIDKILIV GGGTAGWMAA SYLGKALQGT ADITLLQAPD IPTLGVGEAT DATA SEQUENCE IPNLQTAFFD FLGIPEDEWM RECNASYKVA IKFINWRTAG EGTSEARELD DATA SEQUENCE GGPDHFYHSF GLLKYHEQIP LSHYWFDRSY RGKTVEPFDY ACYKEPVILD DATA SEQUENCE ANRSPRRLDG SKVTNYAWHF DAHLVADFLR RFATEKLGVR HVEDRVEHVQ DATA SEQUENCE RDANGNIESV RTATGRVFDA DLFVDCSGFR GLLINKAMEE PFLDMSDHLL DATA SEQUENCE NDSAVATQVP HDDDANGVEP FTSAIAMKSG WTWKIPMLGR FGTGYVYSSR DATA SEQUENCE FATEDEAVRE FCEMWHLDPE TQPLNRIRFR VGRNRRAWVG NCVSIGTSSC DATA SEQUENCE FVEPLESTGI YFVYAALYQL VKHFPDKSLN PVLTARFNRE IETMFDDTRD DATA SEQUENCE FIQAHFYFSP RTDTPFWRAN KELRLADGMQ EKIDMYRAGM AINAPASDDA DATA SEQUENCE QLYYGNFEEE FRNFWNNSNY YCVLAGLGLV PDAPSPRLAH MPQATESVDE DATA SEQUENCE VFGAVKDRQR NLLETLPSLH EFLRQQHG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.612 174.600 0.021 0.000 1.055 2 S CA 0.000 58.211 58.200 0.018 0.000 1.107 2 S CB 0.000 63.209 63.200 0.015 0.000 0.593 3 G N 0.912 109.727 108.800 0.024 0.000 2.674 3 G HA2 0.263 4.228 3.960 0.009 0.000 0.686 3 G HA3 0.263 4.228 3.960 0.009 0.000 0.686 3 G C -0.724 174.198 174.900 0.037 0.000 1.195 3 G CA -0.358 44.758 45.100 0.027 0.000 0.776 3 G HN 1.348 nan 8.290 nan 0.000 0.654 4 K N 0.943 121.369 120.400 0.044 0.000 2.149 4 K HA 0.622 4.948 4.320 0.009 0.000 0.245 4 K C 0.556 177.198 176.600 0.069 0.000 1.024 4 K CA -0.811 55.518 56.287 0.070 0.000 0.899 4 K CB 0.729 33.273 32.500 0.072 0.000 1.038 4 K HN 0.319 nan 8.250 nan 0.000 0.496 5 I N 2.744 123.381 120.570 0.113 0.000 2.533 5 I HA -0.061 4.114 4.170 0.009 0.000 0.284 5 I C 0.478 176.638 176.117 0.072 0.000 1.109 5 I CA 0.334 61.689 61.300 0.092 0.000 1.412 5 I CB 0.565 38.663 38.000 0.163 0.000 1.396 5 I HN 0.754 nan 8.210 nan 0.000 0.543 6 D N 5.317 125.734 120.400 0.029 0.000 2.394 6 D HA 0.095 4.740 4.640 0.009 0.000 0.226 6 D C 0.379 176.674 176.300 -0.009 0.000 0.990 6 D CA 0.861 54.867 54.000 0.011 0.000 0.902 6 D CB 0.798 41.601 40.800 0.006 0.000 1.038 6 D HN 0.463 nan 8.370 nan 0.000 0.499 7 K N 0.790 121.171 120.400 -0.033 0.000 2.378 7 K HA 0.582 4.907 4.320 0.009 0.000 0.252 7 K C -0.601 175.914 176.600 -0.141 0.000 0.931 7 K CA -0.499 55.745 56.287 -0.072 0.000 0.794 7 K CB 3.017 35.474 32.500 -0.073 0.000 1.181 7 K HN -0.127 nan 8.250 nan 0.000 0.425 8 I N 3.166 123.646 120.570 -0.150 0.000 2.498 8 I HA 0.316 4.491 4.170 0.009 0.000 0.290 8 I C -1.120 174.840 176.117 -0.261 0.000 1.032 8 I CA -1.173 59.997 61.300 -0.216 0.000 1.073 8 I CB 1.827 39.761 38.000 -0.110 0.000 1.251 8 I HN 0.330 nan 8.210 nan 0.000 0.426 9 L N 7.911 128.893 121.223 -0.402 0.000 2.325 9 L HA 0.595 4.940 4.340 0.009 0.000 0.281 9 L C -0.950 175.791 176.870 -0.216 0.000 1.004 9 L CA -0.064 54.589 54.840 -0.311 0.000 0.823 9 L CB 1.212 43.057 42.059 -0.357 0.000 1.236 9 L HN 0.407 nan 8.230 nan 0.000 0.415 10 I N 5.800 126.250 120.570 -0.199 0.000 2.315 10 I HA 0.333 4.508 4.170 0.009 0.000 0.291 10 I C -0.592 175.410 176.117 -0.192 0.000 1.006 10 I CA -0.766 60.418 61.300 -0.194 0.000 1.265 10 I CB 1.643 39.487 38.000 -0.259 0.000 1.387 10 I HN 0.266 nan 8.210 nan 0.000 0.475 11 V N 5.926 125.762 119.914 -0.131 0.000 2.328 11 V HA 0.791 4.916 4.120 0.009 0.000 0.278 11 V C 0.364 176.374 176.094 -0.139 0.000 1.021 11 V CA -0.283 61.947 62.300 -0.117 0.000 0.838 11 V CB 0.756 32.551 31.823 -0.047 0.000 0.999 11 V HN 1.052 nan 8.190 nan 0.000 0.447 12 G N 3.471 112.169 108.800 -0.170 0.000 3.101 12 G HA2 0.302 4.267 3.960 0.009 0.000 0.672 12 G HA3 0.302 4.267 3.960 0.009 0.000 0.672 12 G C -0.013 174.719 174.900 -0.279 0.000 1.331 12 G CA -0.402 44.600 45.100 -0.164 0.000 0.925 12 G HN 1.106 nan 8.290 nan 0.000 0.596 13 G N 0.348 109.024 108.800 -0.206 0.000 4.044 13 G HA2 0.671 4.636 3.960 0.009 0.000 0.297 13 G HA3 0.671 4.636 3.960 0.009 0.000 0.297 13 G C 0.847 175.735 174.900 -0.019 0.000 1.101 13 G CA 0.982 45.892 45.100 -0.316 0.000 0.884 13 G HN 1.254 nan 8.290 nan 0.000 0.538 14 G N -0.045 108.741 108.800 -0.023 0.000 2.582 14 G HA2 0.329 4.294 3.960 0.009 0.000 0.232 14 G HA3 0.329 4.294 3.960 0.009 0.000 0.232 14 G C 1.180 176.156 174.900 0.126 0.000 1.458 14 G CA 0.597 45.748 45.100 0.086 0.000 1.062 14 G HN 0.058 nan 8.290 nan 0.000 0.566 15 T N 0.834 115.441 114.554 0.087 0.000 2.746 15 T HA -0.064 4.291 4.350 0.009 0.000 0.267 15 T C 2.742 177.463 174.700 0.035 0.000 1.039 15 T CA 1.877 64.031 62.100 0.090 0.000 1.142 15 T CB -0.455 68.444 68.868 0.051 0.000 0.866 15 T HN 0.554 nan 8.240 nan 0.000 0.444 16 A N 1.513 124.318 122.820 -0.026 0.000 1.858 16 A HA 0.118 4.443 4.320 0.009 0.000 0.216 16 A C 2.656 180.188 177.584 -0.087 0.000 1.190 16 A CA 1.906 53.904 52.037 -0.065 0.000 0.617 16 A CB -1.477 17.475 19.000 -0.080 0.000 0.827 16 A HN 0.499 nan 8.150 nan 0.000 0.443 17 G N -1.551 107.157 108.800 -0.154 0.000 2.476 17 G HA2 -0.293 3.672 3.960 0.009 0.000 0.218 17 G HA3 -0.293 3.672 3.960 0.009 0.000 0.218 17 G C 1.435 176.123 174.900 -0.354 0.000 1.164 17 G CA 1.012 45.925 45.100 -0.312 0.000 0.768 17 G HN 0.681 nan 8.290 nan 0.000 0.560 18 W N 0.147 121.434 121.300 -0.022 0.000 2.467 18 W HA 0.230 4.895 4.660 0.008 0.000 0.275 18 W C 2.865 179.431 176.519 0.078 0.000 1.239 18 W CA 0.122 57.469 57.345 0.005 0.000 1.266 18 W CB -0.025 29.439 29.460 0.006 0.000 1.112 18 W HN 0.127 nan 8.180 nan 0.000 0.576 19 M N -0.489 119.251 119.600 0.235 0.000 2.200 19 M HA -0.085 4.400 4.480 0.009 0.000 0.265 19 M C 2.407 178.870 176.300 0.272 0.000 1.066 19 M CA 1.642 57.092 55.300 0.251 0.000 1.127 19 M CB -0.538 32.014 32.600 -0.080 0.000 1.379 19 M HN 0.036 nan 8.290 nan 0.000 0.420 20 A N 0.430 123.314 122.820 0.106 0.000 1.898 20 A HA -0.031 4.294 4.320 0.009 0.000 0.216 20 A C 2.339 179.985 177.584 0.104 0.000 1.181 20 A CA 1.814 53.892 52.037 0.069 0.000 0.620 20 A CB -0.905 18.066 19.000 -0.048 0.000 0.819 20 A HN 0.470 nan 8.150 nan 0.000 0.442 21 A N -0.528 122.329 122.820 0.063 0.000 1.902 21 A HA -0.066 4.259 4.320 0.009 0.000 0.217 21 A C 2.450 180.138 177.584 0.173 0.000 1.181 21 A CA 2.137 54.220 52.037 0.076 0.000 0.623 21 A CB -0.783 18.253 19.000 0.060 0.000 0.818 21 A HN 0.455 nan 8.150 nan 0.000 0.443 22 S N -1.901 113.970 115.700 0.284 0.000 2.345 22 S HA -0.111 4.364 4.470 0.009 0.000 0.219 22 S C 1.879 176.635 174.600 0.260 0.000 1.031 22 S CA 1.325 59.708 58.200 0.304 0.000 0.984 22 S CB -0.585 62.865 63.200 0.417 0.000 0.874 22 S HN 0.648 nan 8.310 nan 0.000 0.451 23 Y N 2.137 122.555 120.300 0.197 0.000 2.145 23 Y HA -0.075 4.480 4.550 0.008 0.000 0.286 23 Y C 2.001 177.985 175.900 0.141 0.000 1.145 23 Y CA 1.374 59.583 58.100 0.182 0.000 1.148 23 Y CB -0.301 38.246 38.460 0.144 0.000 0.981 23 Y HN 0.134 nan 8.280 nan 0.000 0.507 24 L N -1.300 120.074 121.223 0.253 0.000 2.056 24 L HA -0.126 4.219 4.340 0.009 0.000 0.207 24 L C 2.673 179.546 176.870 0.006 0.000 1.078 24 L CA 1.129 56.028 54.840 0.099 0.000 0.749 24 L CB -1.194 40.904 42.059 0.065 0.000 0.901 24 L HN 0.350 nan 8.230 nan 0.000 0.433 25 G N 0.136 108.947 108.800 0.018 0.000 2.442 25 G HA2 -0.314 3.651 3.960 0.009 0.000 0.219 25 G HA3 -0.314 3.651 3.960 0.009 0.000 0.219 25 G C 1.683 176.535 174.900 -0.080 0.000 1.141 25 G CA 0.963 46.039 45.100 -0.041 0.000 0.763 25 G HN 0.187 nan 8.290 nan 0.000 0.554 26 K N 0.981 121.346 120.400 -0.058 0.000 2.044 26 K HA 0.286 4.611 4.320 0.009 0.000 0.204 26 K C 2.678 179.176 176.600 -0.170 0.000 1.049 26 K CA 1.366 57.569 56.287 -0.140 0.000 0.945 26 K CB -0.678 31.713 32.500 -0.182 0.000 0.724 26 K HN 0.116 nan 8.250 nan 0.000 0.440 27 A N 0.315 123.099 122.820 -0.061 0.000 1.972 27 A HA 0.006 4.332 4.320 0.009 0.000 0.219 27 A C 1.617 179.118 177.584 -0.139 0.000 1.169 27 A CA 1.353 53.372 52.037 -0.029 0.000 0.635 27 A CB -0.417 18.602 19.000 0.031 0.000 0.810 27 A HN 0.314 nan 8.150 nan 0.000 0.446 28 L N -0.718 120.407 121.223 -0.163 0.000 2.910 28 L HA 0.184 4.530 4.340 0.009 0.000 0.252 28 L C 0.538 177.328 176.870 -0.133 0.000 1.195 28 L CA -0.467 54.259 54.840 -0.189 0.000 1.003 28 L CB -0.224 41.693 42.059 -0.238 0.000 1.328 28 L HN 0.356 nan 8.230 nan 0.000 0.540 29 Q N 2.006 121.730 119.800 -0.127 0.000 3.042 29 Q HA -0.002 4.344 4.340 0.009 0.000 0.358 29 Q C 1.341 177.284 176.000 -0.095 0.000 1.064 29 Q CA 1.518 57.252 55.803 -0.115 0.000 1.188 29 Q CB -0.103 28.557 28.738 -0.129 0.000 0.967 29 Q HN 0.487 nan 8.270 nan 0.000 0.414 30 G N 2.702 111.453 108.800 -0.082 0.000 2.148 30 G HA2 -0.308 3.657 3.960 0.009 0.000 0.254 30 G HA3 -0.308 3.657 3.960 0.009 0.000 0.254 30 G C 0.444 175.310 174.900 -0.056 0.000 0.981 30 G CA 0.760 45.821 45.100 -0.065 0.000 0.670 30 G HN 1.112 nan 8.290 nan 0.000 0.528 31 T N -4.052 110.465 114.554 -0.061 0.000 3.111 31 T HA 0.748 5.104 4.350 0.009 0.000 0.284 31 T C 0.381 175.059 174.700 -0.037 0.000 0.983 31 T CA 1.002 63.073 62.100 -0.048 0.000 0.900 31 T CB 0.993 69.827 68.868 -0.057 0.000 1.132 31 T HN 1.923 nan 8.240 nan 0.000 0.531 32 A N 0.812 123.606 122.820 -0.043 0.000 2.540 32 A HA 0.603 4.928 4.320 0.009 0.000 0.297 32 A C -1.904 175.659 177.584 -0.034 0.000 1.056 32 A CA -0.804 51.216 52.037 -0.029 0.000 0.700 32 A CB 1.205 20.190 19.000 -0.025 0.000 1.280 32 A HN 0.189 nan 8.150 nan 0.000 0.398 33 D N 2.027 122.410 120.400 -0.028 0.000 2.280 33 D HA 0.489 5.134 4.640 0.009 0.000 0.243 33 D C -0.386 175.891 176.300 -0.038 0.000 1.129 33 D CA 0.495 54.479 54.000 -0.027 0.000 0.848 33 D CB 1.303 42.093 40.800 -0.016 0.000 1.107 33 D HN 0.447 nan 8.370 nan 0.000 0.471 34 I N 1.466 122.014 120.570 -0.038 0.000 2.404 34 I HA 0.226 4.401 4.170 0.009 0.000 0.293 34 I C 0.174 176.264 176.117 -0.044 0.000 0.992 34 I CA -0.376 60.892 61.300 -0.053 0.000 1.149 34 I CB 1.909 39.879 38.000 -0.050 0.000 1.315 34 I HN 0.024 nan 8.210 nan 0.000 0.446 35 T N 6.896 121.403 114.554 -0.078 0.000 2.848 35 T HA 0.496 4.852 4.350 0.009 0.000 0.285 35 T C -0.731 173.872 174.700 -0.162 0.000 0.995 35 T CA -0.427 61.626 62.100 -0.078 0.000 0.970 35 T CB 1.712 70.546 68.868 -0.057 0.000 0.976 35 T HN 0.344 nan 8.240 nan 0.000 0.441 36 L N 4.528 125.649 121.223 -0.169 0.000 2.313 36 L HA 0.715 5.061 4.340 0.009 0.000 0.283 36 L C -1.154 175.595 176.870 -0.202 0.000 1.013 36 L CA -0.881 53.778 54.840 -0.303 0.000 0.816 36 L CB 0.961 42.640 42.059 -0.634 0.000 1.236 36 L HN 0.578 nan 8.230 nan 0.000 0.419 37 L N 5.963 127.041 121.223 -0.242 0.000 2.305 37 L HA 0.540 4.885 4.340 0.009 0.000 0.284 37 L C -1.100 175.702 176.870 -0.113 0.000 1.013 37 L CA -0.217 54.503 54.840 -0.201 0.000 0.819 37 L CB 1.300 43.155 42.059 -0.340 0.000 1.227 37 L HN 0.798 nan 8.230 nan 0.000 0.417 38 Q N 4.563 124.365 119.800 0.003 0.000 2.315 38 Q HA 0.729 5.074 4.340 0.009 0.000 0.273 38 Q C -1.632 174.411 176.000 0.071 0.000 1.053 38 Q CA -0.926 54.898 55.803 0.036 0.000 0.817 38 Q CB 2.064 30.853 28.738 0.085 0.000 1.326 38 Q HN 0.685 nan 8.270 nan 0.000 0.423 39 A N 3.409 126.259 122.820 0.050 0.000 2.309 39 A HA 0.573 4.899 4.320 0.009 0.000 0.290 39 A C -2.316 175.311 177.584 0.072 0.000 1.206 39 A CA -1.495 50.574 52.037 0.053 0.000 0.850 39 A CB -0.095 18.928 19.000 0.038 0.000 1.118 39 A HN 0.587 nan 8.150 nan 0.000 0.523 40 P HA 0.318 nan 4.420 nan 0.000 0.276 40 P C -0.981 176.357 177.300 0.063 0.000 1.264 40 P CA 0.230 63.378 63.100 0.079 0.000 0.769 40 P CB 0.875 32.615 31.700 0.067 0.000 0.840 41 D N 1.355 121.796 120.400 0.069 0.000 2.732 41 D HA 0.303 4.949 4.640 0.009 0.000 0.292 41 D C -0.379 175.957 176.300 0.061 0.000 1.135 41 D CA -0.872 53.163 54.000 0.058 0.000 1.071 41 D CB 0.298 41.131 40.800 0.054 0.000 1.457 41 D HN 0.085 nan 8.370 nan 0.000 0.547 42 I N 1.139 121.741 120.570 0.054 0.000 2.907 42 I HA 0.078 4.253 4.170 0.009 0.000 0.285 42 I C -1.751 174.407 176.117 0.069 0.000 1.189 42 I CA -0.712 60.620 61.300 0.053 0.000 1.376 42 I CB -0.682 37.347 38.000 0.048 0.000 1.420 42 I HN 0.220 nan 8.210 nan 0.000 0.544 43 P HA 0.220 nan 4.420 nan 0.000 0.274 43 P C -0.138 177.207 177.300 0.076 0.000 1.246 43 P CA -0.385 62.756 63.100 0.067 0.000 0.795 43 P CB 0.725 32.417 31.700 -0.014 0.000 1.006 44 T N -1.839 112.802 114.554 0.146 0.000 2.938 44 T HA 0.590 4.946 4.350 0.009 0.000 0.285 44 T C 0.068 174.881 174.700 0.188 0.000 1.028 44 T CA -0.983 61.224 62.100 0.178 0.000 1.005 44 T CB 0.286 69.295 68.868 0.236 0.000 1.157 44 T HN 0.109 nan 8.240 nan 0.000 0.550 45 L N 1.091 122.425 121.223 0.185 0.000 2.426 45 L HA 0.449 4.794 4.340 0.009 0.000 0.271 45 L C 1.353 178.397 176.870 0.290 0.000 1.169 45 L CA -0.649 54.295 54.840 0.172 0.000 0.836 45 L CB 0.187 42.328 42.059 0.135 0.000 1.112 45 L HN 1.018 nan 8.230 nan 0.000 0.465 46 G N 2.077 111.051 108.800 0.290 0.000 2.821 46 G HA2 0.282 4.248 3.960 0.009 0.000 0.289 46 G HA3 0.282 4.248 3.960 0.009 0.000 0.289 46 G C 0.949 176.000 174.900 0.251 0.000 0.771 46 G CA -0.342 44.977 45.100 0.365 0.000 1.908 46 G HN 0.658 nan 8.290 nan 0.000 0.539 47 V N 0.926 121.006 119.914 0.276 0.000 3.592 47 V HA 0.463 4.589 4.120 0.009 0.000 0.272 47 V C 1.206 177.522 176.094 0.371 0.000 1.228 47 V CA 0.016 62.525 62.300 0.347 0.000 1.173 47 V CB -1.531 30.595 31.823 0.506 0.000 0.873 47 V HN 1.504 nan 8.190 nan 0.000 0.476 48 G N 0.092 109.024 108.800 0.219 0.000 2.722 48 G HA2 -0.076 3.889 3.960 0.009 0.000 0.686 48 G HA3 -0.076 3.889 3.960 0.009 0.000 0.686 48 G C -0.804 174.064 174.900 -0.054 0.000 1.282 48 G CA -0.326 44.846 45.100 0.119 0.000 0.817 48 G HN 0.551 nan 8.290 nan 0.000 0.605 49 E N -0.076 120.041 120.200 -0.139 0.000 2.256 49 E HA 0.671 5.026 4.350 0.009 0.000 0.268 49 E C 0.230 176.641 176.600 -0.314 0.000 0.877 49 E CA -0.234 56.003 56.400 -0.271 0.000 0.757 49 E CB 2.185 31.734 29.700 -0.251 0.000 1.183 49 E HN 1.292 nan 8.360 nan 0.000 0.418 50 A N 1.834 124.557 122.820 -0.162 0.000 2.325 50 A HA 0.791 5.116 4.320 0.009 0.000 0.333 50 A C 0.173 177.789 177.584 0.053 0.000 1.155 50 A CA -0.346 51.734 52.037 0.072 0.000 0.814 50 A CB 1.005 20.096 19.000 0.152 0.000 1.206 50 A HN 0.650 nan 8.150 nan 0.000 0.482 51 T N -1.230 113.423 114.554 0.165 0.000 2.693 51 T HA 0.776 5.132 4.350 0.009 0.000 0.278 51 T C -0.114 174.738 174.700 0.252 0.000 0.994 51 T CA -0.241 62.002 62.100 0.238 0.000 1.033 51 T CB 0.698 69.794 68.868 0.381 0.000 1.342 51 T HN 1.260 nan 8.240 nan 0.000 0.538 52 I N -2.576 118.120 120.570 0.210 0.000 2.892 52 I HA 0.580 4.755 4.170 0.009 0.000 0.306 52 I C -2.466 173.565 176.117 -0.145 0.000 1.078 52 I CA -3.305 57.937 61.300 -0.097 0.000 1.032 52 I CB 2.117 40.127 38.000 0.018 0.000 1.229 52 I HN 0.289 nan 8.210 nan 0.000 0.435 53 P HA -0.228 nan 4.420 nan 0.000 0.218 53 P C 0.754 178.064 177.300 0.017 0.000 1.154 53 P CA 1.959 64.748 63.100 -0.518 0.000 0.872 53 P CB -0.292 30.679 31.700 -1.215 0.000 0.790 54 N N -0.525 118.238 118.700 0.106 0.000 2.626 54 N HA -0.106 4.640 4.740 0.009 0.000 0.193 54 N C 1.293 176.897 175.510 0.156 0.000 1.213 54 N CA 0.365 53.561 53.050 0.244 0.000 0.914 54 N CB -1.316 37.415 38.487 0.406 0.000 0.994 54 N HN 0.129 nan 8.380 nan 0.000 0.447 55 L N -0.363 120.985 121.223 0.208 0.000 2.093 55 L HA -0.064 4.281 4.340 0.009 0.000 0.208 55 L C 2.291 179.102 176.870 -0.097 0.000 1.085 55 L CA 1.748 56.541 54.840 -0.078 0.000 0.755 55 L CB -0.786 41.404 42.059 0.218 0.000 0.904 55 L HN 0.220 nan 8.230 nan 0.000 0.435 56 Q N -0.685 119.175 119.800 0.100 0.000 2.062 56 Q HA -0.124 4.221 4.340 0.009 0.000 0.196 56 Q C 2.220 178.293 176.000 0.122 0.000 0.967 56 Q CA 2.473 58.361 55.803 0.142 0.000 0.832 56 Q CB -0.491 28.394 28.738 0.245 0.000 0.899 56 Q HN 0.672 nan 8.270 nan 0.000 0.442 57 T N -2.201 112.432 114.554 0.132 0.000 2.857 57 T HA 0.066 4.421 4.350 0.009 0.000 0.266 57 T C 1.783 176.536 174.700 0.088 0.000 1.048 57 T CA 1.097 63.272 62.100 0.124 0.000 1.139 57 T CB -0.437 68.526 68.868 0.158 0.000 0.874 57 T HN 0.264 nan 8.240 nan 0.000 0.455 58 A N -0.534 122.295 122.820 0.015 0.000 1.984 58 A HA 0.439 4.764 4.320 0.009 0.000 0.214 58 A C 1.772 179.268 177.584 -0.147 0.000 1.173 58 A CA 0.409 52.379 52.037 -0.111 0.000 0.673 58 A CB -0.487 18.384 19.000 -0.215 0.000 0.830 58 A HN 0.490 nan 8.150 nan 0.000 0.453 59 F N -1.715 117.966 119.950 -0.449 0.000 2.484 59 F HA 0.298 4.830 4.527 0.009 0.000 0.268 59 F C 1.657 177.283 175.800 -0.290 0.000 0.965 59 F CA 0.179 57.906 58.000 -0.454 0.000 1.119 59 F CB -0.379 38.059 39.000 -0.937 0.000 1.153 59 F HN 0.115 nan 8.300 nan 0.000 0.689 60 F N 1.590 121.321 119.950 -0.365 0.000 2.161 60 F HA -0.175 4.356 4.527 0.008 0.000 0.300 60 F C 2.245 177.887 175.800 -0.264 0.000 1.089 60 F CA 1.669 59.407 58.000 -0.438 0.000 1.282 60 F CB -0.848 37.920 39.000 -0.387 0.000 1.010 60 F HN 0.071 nan 8.300 nan 0.000 0.485 61 D N -0.858 119.564 120.400 0.037 0.000 2.178 61 D HA -0.176 4.469 4.640 0.009 0.000 0.202 61 D C 2.096 178.385 176.300 -0.018 0.000 0.974 61 D CA 0.791 54.810 54.000 0.032 0.000 0.841 61 D CB -0.540 40.305 40.800 0.074 0.000 0.953 61 D HN 0.246 nan 8.370 nan 0.000 0.478 62 F N 1.089 120.931 119.950 -0.180 0.000 2.234 62 F HA -0.046 4.486 4.527 0.008 0.000 0.299 62 F C 1.916 177.547 175.800 -0.281 0.000 1.087 62 F CA 0.968 58.832 58.000 -0.226 0.000 1.340 62 F CB -0.045 38.789 39.000 -0.276 0.000 1.031 62 F HN -0.120 nan 8.300 nan 0.000 0.500 63 L N -0.368 120.679 121.223 -0.293 0.000 2.418 63 L HA 0.202 4.548 4.340 0.009 0.000 0.218 63 L C 1.632 178.374 176.870 -0.214 0.000 1.125 63 L CA 0.667 55.327 54.840 -0.300 0.000 0.835 63 L CB -0.961 40.848 42.059 -0.418 0.000 0.953 63 L HN 0.352 nan 8.230 nan 0.000 0.454 64 G N 1.311 110.002 108.800 -0.181 0.000 2.171 64 G HA2 -0.257 3.708 3.960 0.009 0.000 0.238 64 G HA3 -0.257 3.708 3.960 0.009 0.000 0.238 64 G C -0.034 174.819 174.900 -0.079 0.000 1.039 64 G CA -0.294 44.742 45.100 -0.108 0.000 0.759 64 G HN 0.287 nan 8.290 nan 0.000 0.501 65 I N 2.311 122.836 120.570 -0.074 0.000 2.354 65 I HA 0.288 4.463 4.170 0.009 0.000 0.286 65 I C -1.664 174.478 176.117 0.041 0.000 1.007 65 I CA -2.456 58.828 61.300 -0.026 0.000 1.167 65 I CB 1.761 39.755 38.000 -0.010 0.000 1.320 65 I HN -0.061 nan 8.210 nan 0.000 0.458 66 P HA -0.018 nan 4.420 nan 0.000 0.269 66 P C 0.506 177.788 177.300 -0.031 0.000 1.209 66 P CA 0.073 63.180 63.100 0.012 0.000 0.776 66 P CB 1.192 32.885 31.700 -0.010 0.000 0.876 67 E N 1.450 121.630 120.200 -0.034 0.000 2.070 67 E HA -0.262 4.093 4.350 0.009 0.000 0.197 67 E C 1.044 177.290 176.600 -0.590 0.000 1.004 67 E CA 1.585 57.835 56.400 -0.251 0.000 0.805 67 E CB -0.086 29.616 29.700 0.004 0.000 0.744 67 E HN 0.387 nan 8.360 nan 0.000 0.451 68 D N 0.166 120.386 120.400 -0.299 0.000 2.149 68 D HA -0.182 4.463 4.640 0.009 0.000 0.198 68 D C 1.796 177.872 176.300 -0.372 0.000 0.990 68 D CA 0.886 54.700 54.000 -0.309 0.000 0.839 68 D CB -0.183 40.523 40.800 -0.156 0.000 0.948 68 D HN 0.369 nan 8.370 nan 0.000 0.460 69 E N 0.372 120.398 120.200 -0.291 0.000 2.031 69 E HA -0.131 4.224 4.350 0.009 0.000 0.193 69 E C 2.324 178.686 176.600 -0.397 0.000 0.994 69 E CA 1.015 57.283 56.400 -0.220 0.000 0.800 69 E CB -0.160 29.508 29.700 -0.053 0.000 0.752 69 E HN 0.469 nan 8.360 nan 0.000 0.447 70 W N 1.388 122.270 121.300 -0.698 0.000 2.453 70 W HA -0.105 4.560 4.660 0.008 0.000 0.289 70 W C 1.931 177.927 176.519 -0.872 0.000 1.215 70 W CA 1.014 57.621 57.345 -1.230 0.000 1.297 70 W CB -0.674 27.808 29.460 -1.630 0.000 1.113 70 W HN 0.053 nan 8.180 nan 0.000 0.551 71 M N 0.834 119.443 119.600 -1.652 0.000 2.394 71 M HA 0.102 4.587 4.480 0.009 0.000 0.264 71 M C 2.048 178.072 176.300 -0.459 0.000 1.073 71 M CA 1.414 55.947 55.300 -1.279 0.000 1.111 71 M CB -0.657 31.024 32.600 -1.531 0.000 1.401 71 M HN -0.124 nan 8.290 nan 0.000 0.448 72 R N 0.764 121.016 120.500 -0.413 0.000 2.119 72 R HA -0.007 4.339 4.340 0.009 0.000 0.222 72 R C 2.012 178.279 176.300 -0.054 0.000 1.088 72 R CA 1.481 57.495 56.100 -0.145 0.000 0.984 72 R CB -0.204 29.962 30.300 -0.222 0.000 0.884 72 R HN 0.571 nan 8.270 nan 0.000 0.447 73 E N -0.312 119.777 120.200 -0.184 0.000 2.358 73 E HA -0.077 4.278 4.350 0.009 0.000 0.195 73 E C 0.359 176.910 176.600 -0.081 0.000 1.010 73 E CA 0.434 56.768 56.400 -0.110 0.000 0.856 73 E CB 0.324 29.947 29.700 -0.129 0.000 0.795 73 E HN 0.280 nan 8.360 nan 0.000 0.504 74 C N 1.629 120.858 119.300 -0.120 0.000 2.881 74 C HA 0.236 4.701 4.460 0.009 0.000 0.290 74 C C -0.035 174.989 174.990 0.056 0.000 1.362 74 C CA -0.768 58.238 59.018 -0.020 0.000 1.757 74 C CB -1.256 26.460 27.740 -0.039 0.000 2.265 74 C HN 0.370 nan 8.230 nan 0.000 0.600 75 N N 1.698 120.415 118.700 0.028 0.000 2.698 75 N HA -0.186 4.560 4.740 0.009 0.000 0.258 75 N C 0.059 175.587 175.510 0.030 0.000 0.978 75 N CA 1.198 54.216 53.050 -0.053 0.000 0.777 75 N CB -0.808 37.637 38.487 -0.071 0.000 0.907 75 N HN 0.753 nan 8.380 nan 0.000 0.543 76 A N -0.647 122.254 122.820 0.134 0.000 2.286 76 A HA 0.683 5.008 4.320 0.009 0.000 0.286 76 A C 0.702 178.415 177.584 0.214 0.000 1.097 76 A CA -0.042 52.138 52.037 0.239 0.000 0.821 76 A CB 1.272 20.424 19.000 0.254 0.000 1.076 76 A HN 0.305 nan 8.150 nan 0.000 0.490 77 S N -1.032 114.804 115.700 0.228 0.000 2.798 77 S HA 0.757 5.232 4.470 0.009 0.000 0.312 77 S C -1.345 173.257 174.600 0.003 0.000 1.122 77 S CA -0.441 57.879 58.200 0.199 0.000 0.949 77 S CB 0.473 63.827 63.200 0.257 0.000 1.235 77 S HN 0.458 nan 8.310 nan 0.000 0.552 78 Y N 1.397 121.686 120.300 -0.018 0.000 2.361 78 Y HA 0.553 5.108 4.550 0.008 0.000 0.332 78 Y C 0.361 176.052 175.900 -0.349 0.000 1.101 78 Y CA -0.586 57.371 58.100 -0.238 0.000 1.137 78 Y CB 1.159 39.391 38.460 -0.381 0.000 1.207 78 Y HN 0.509 nan 8.280 nan 0.000 0.463 79 K N 1.860 122.102 120.400 -0.264 0.000 2.413 79 K HA 0.540 4.866 4.320 0.009 0.000 0.257 79 K C -1.005 175.657 176.600 0.103 0.000 0.946 79 K CA -0.348 55.791 56.287 -0.247 0.000 0.823 79 K CB 1.386 33.617 32.500 -0.449 0.000 1.109 79 K HN 0.638 nan 8.250 nan 0.000 0.427 80 V N 2.111 122.092 119.914 0.112 0.000 3.621 80 V HA 0.323 4.448 4.120 0.009 0.000 0.263 80 V C 0.275 176.314 176.094 -0.093 0.000 1.272 80 V CA 0.810 63.190 62.300 0.133 0.000 1.080 80 V CB 0.399 32.246 31.823 0.041 0.000 0.816 80 V HN 0.869 nan 8.190 nan 0.000 0.451 81 A N -0.518 122.219 122.820 -0.138 0.000 2.438 81 A HA 0.723 5.048 4.320 0.009 0.000 0.301 81 A C -1.820 175.694 177.584 -0.116 0.000 1.101 81 A CA -0.499 51.338 52.037 -0.333 0.000 0.621 81 A CB 0.828 19.700 19.000 -0.213 0.000 1.350 81 A HN 0.040 nan 8.150 nan 0.000 0.496 82 I N 0.944 121.415 120.570 -0.165 0.000 2.406 82 I HA 0.401 4.576 4.170 0.009 0.000 0.290 82 I C -0.055 175.903 176.117 -0.265 0.000 0.999 82 I CA -0.400 60.779 61.300 -0.201 0.000 1.124 82 I CB 1.916 39.701 38.000 -0.358 0.000 1.289 82 I HN 0.623 nan 8.210 nan 0.000 0.441 83 K N 6.965 127.154 120.400 -0.351 0.000 2.281 83 K HA 0.427 4.752 4.320 0.009 0.000 0.272 83 K C -1.308 174.916 176.600 -0.627 0.000 1.048 83 K CA -0.463 55.468 56.287 -0.594 0.000 0.898 83 K CB 0.599 32.601 32.500 -0.829 0.000 1.128 83 K HN 0.296 nan 8.250 nan 0.000 0.460 84 F N 5.583 125.104 119.950 -0.716 0.000 2.421 84 F HA 0.327 4.858 4.527 0.008 0.000 0.358 84 F C 0.303 175.870 175.800 -0.388 0.000 1.115 84 F CA -0.409 57.136 58.000 -0.759 0.000 1.160 84 F CB 0.606 38.561 39.000 -1.743 0.000 1.123 84 F HN 0.267 nan 8.300 nan 0.000 0.508 85 I N 4.299 124.992 120.570 0.206 0.000 2.406 85 I HA 0.250 4.425 4.170 0.009 0.000 0.290 85 I C -0.168 176.139 176.117 0.316 0.000 0.999 85 I CA -0.793 60.636 61.300 0.214 0.000 1.124 85 I CB 1.334 39.395 38.000 0.102 0.000 1.289 85 I HN 0.577 nan 8.210 nan 0.000 0.441 86 N N 4.015 122.842 118.700 0.211 0.000 2.747 86 N HA -0.219 4.526 4.740 0.009 0.000 0.249 86 N C -0.001 175.523 175.510 0.022 0.000 1.107 86 N CA 0.910 54.014 53.050 0.090 0.000 0.707 86 N CB -1.013 37.472 38.487 -0.004 0.000 1.054 86 N HN 0.714 nan 8.380 nan 0.000 0.555 87 W N 0.193 121.485 121.300 -0.014 0.000 3.139 87 W HA 0.178 4.844 4.660 0.010 0.000 0.260 87 W C 1.911 178.327 176.519 -0.173 0.000 1.312 87 W CA 0.245 57.535 57.345 -0.091 0.000 1.606 87 W CB 0.203 29.709 29.460 0.077 0.000 1.118 87 W HN 0.100 nan 8.180 nan 0.000 0.675 88 R N -0.764 119.793 120.500 0.096 0.000 2.437 88 R HA 0.136 4.481 4.340 0.009 0.000 0.257 88 R C 0.320 176.589 176.300 -0.051 0.000 0.927 88 R CA 0.428 56.539 56.100 0.019 0.000 1.078 88 R CB 0.402 30.751 30.300 0.083 0.000 1.161 88 R HN -0.097 nan 8.270 nan 0.000 0.529 89 T N -1.940 112.565 114.554 -0.083 0.000 2.876 89 T HA 0.728 5.083 4.350 0.009 0.000 0.289 89 T C 0.038 174.660 174.700 -0.130 0.000 1.014 89 T CA -0.957 61.094 62.100 -0.082 0.000 0.986 89 T CB 2.285 71.131 68.868 -0.036 0.000 1.021 89 T HN 0.066 nan 8.240 nan 0.000 0.458 90 A N 1.424 124.185 122.820 -0.098 0.000 2.386 90 A HA 0.855 5.181 4.320 0.009 0.000 0.246 90 A C 0.999 178.549 177.584 -0.057 0.000 1.089 90 A CA 0.354 52.341 52.037 -0.084 0.000 0.790 90 A CB -0.534 18.441 19.000 -0.042 0.000 1.042 90 A HN 2.216 nan 8.150 nan 0.000 0.497 91 G N -0.184 108.596 108.800 -0.033 0.000 2.361 91 G HA2 0.333 4.298 3.960 0.009 0.000 0.331 91 G HA3 0.333 4.298 3.960 0.009 0.000 0.331 91 G C -0.951 173.939 174.900 -0.016 0.000 1.324 91 G CA -0.647 44.438 45.100 -0.024 0.000 0.984 91 G HN 0.738 nan 8.290 nan 0.000 0.586 92 E N -0.590 119.591 120.200 -0.031 0.000 2.385 92 E HA 0.498 4.853 4.350 0.009 0.000 0.254 92 E C 0.890 177.437 176.600 -0.088 0.000 1.228 92 E CA 0.157 56.529 56.400 -0.047 0.000 0.956 92 E CB 0.647 30.312 29.700 -0.058 0.000 1.116 92 E HN 0.977 nan 8.360 nan 0.000 0.507 93 G N 0.277 108.993 108.800 -0.139 0.000 2.394 93 G HA2 0.299 4.264 3.960 0.009 0.000 0.298 93 G HA3 0.299 4.264 3.960 0.009 0.000 0.298 93 G C -0.238 174.499 174.900 -0.271 0.000 1.087 93 G CA 0.030 44.999 45.100 -0.219 0.000 1.035 93 G HN 0.215 nan 8.290 nan 0.000 0.420 94 T N -0.051 114.358 114.554 -0.243 0.000 2.900 94 T HA 0.434 4.789 4.350 0.009 0.000 0.295 94 T C 1.504 176.030 174.700 -0.289 0.000 1.044 94 T CA 0.149 62.084 62.100 -0.274 0.000 0.995 94 T CB 1.552 70.323 68.868 -0.161 0.000 1.072 94 T HN 0.609 nan 8.240 nan 0.000 0.473 95 S N 2.079 117.552 115.700 -0.379 0.000 2.561 95 S HA 0.162 4.637 4.470 0.009 0.000 0.225 95 S C 0.343 174.884 174.600 -0.099 0.000 0.977 95 S CA 0.115 58.128 58.200 -0.312 0.000 0.926 95 S CB -0.343 62.610 63.200 -0.412 0.000 0.769 95 S HN 0.757 nan 8.310 nan 0.000 0.533 96 E N 1.411 121.565 120.200 -0.077 0.000 2.156 96 E HA 0.609 4.964 4.350 0.009 0.000 0.279 96 E C -0.547 176.050 176.600 -0.004 0.000 0.965 96 E CA -0.617 55.774 56.400 -0.016 0.000 0.789 96 E CB 1.641 31.341 29.700 -0.001 0.000 1.098 96 E HN 0.425 nan 8.360 nan 0.000 0.397 97 A N 4.177 127.013 122.820 0.027 0.000 2.520 97 A HA 0.101 4.426 4.320 0.009 0.000 0.245 97 A C 0.256 177.866 177.584 0.044 0.000 1.072 97 A CA 0.110 52.179 52.037 0.053 0.000 0.761 97 A CB 0.238 19.305 19.000 0.112 0.000 1.004 97 A HN 0.615 nan 8.150 nan 0.000 0.499 98 R N 1.113 121.632 120.500 0.032 0.000 2.649 98 R HA 0.279 4.624 4.340 0.009 0.000 0.270 98 R C -0.362 175.955 176.300 0.028 0.000 1.105 98 R CA -0.641 55.471 56.100 0.019 0.000 1.193 98 R CB 0.422 30.723 30.300 0.002 0.000 1.120 98 R HN 0.683 nan 8.270 nan 0.000 0.561 99 E N 1.465 121.675 120.200 0.017 0.000 2.283 99 E HA 0.229 4.585 4.350 0.009 0.000 0.278 99 E C -0.925 175.680 176.600 0.008 0.000 1.027 99 E CA -0.516 55.893 56.400 0.015 0.000 0.843 99 E CB 1.276 30.982 29.700 0.010 0.000 1.062 99 E HN 0.152 nan 8.360 nan 0.000 0.401 100 L N 2.578 123.804 121.223 0.005 0.000 2.464 100 L HA 0.295 4.640 4.340 0.009 0.000 0.266 100 L C -0.845 176.022 176.870 -0.005 0.000 0.965 100 L CA -0.262 54.580 54.840 0.003 0.000 0.833 100 L CB 1.506 43.572 42.059 0.012 0.000 1.296 100 L HN 0.374 nan 8.230 nan 0.000 0.405 101 D N 4.662 125.059 120.400 -0.004 0.000 2.706 101 D HA -0.202 4.443 4.640 0.009 0.000 0.230 101 D C 1.037 177.328 176.300 -0.015 0.000 1.184 101 D CA 1.684 55.680 54.000 -0.007 0.000 0.628 101 D CB -0.884 39.915 40.800 -0.001 0.000 1.019 101 D HN 1.345 nan 8.370 nan 0.000 0.415 102 G N -1.493 107.298 108.800 -0.014 0.000 2.137 102 G HA2 0.037 4.002 3.960 0.009 0.000 0.237 102 G HA3 0.037 4.002 3.960 0.009 0.000 0.237 102 G C 0.508 175.392 174.900 -0.026 0.000 1.002 102 G CA 0.335 45.425 45.100 -0.018 0.000 0.702 102 G HN 1.151 nan 8.290 nan 0.000 0.515 103 G N -1.140 107.645 108.800 -0.026 0.000 2.559 103 G HA2 0.803 4.769 3.960 0.009 0.000 0.291 103 G HA3 0.803 4.769 3.960 0.009 0.000 0.291 103 G C -3.247 171.643 174.900 -0.016 0.000 1.424 103 G CA -0.148 44.931 45.100 -0.035 0.000 0.786 103 G HN 0.337 nan 8.290 nan 0.000 0.485 104 P HA 0.179 nan 4.420 nan 0.000 0.271 104 P C -0.934 176.385 177.300 0.031 0.000 1.216 104 P CA -0.002 63.143 63.100 0.074 0.000 0.776 104 P CB 1.438 33.267 31.700 0.215 0.000 0.881 105 D N 3.537 123.982 120.400 0.075 0.000 2.455 105 D HA 0.048 4.693 4.640 0.009 0.000 0.234 105 D C -0.128 176.261 176.300 0.149 0.000 1.224 105 D CA 0.330 54.378 54.000 0.080 0.000 0.999 105 D CB -0.696 40.153 40.800 0.081 0.000 1.072 105 D HN 0.469 nan 8.370 nan 0.000 0.514 106 H N 0.560 119.665 119.070 0.058 0.000 3.042 106 H HA 0.528 5.089 4.556 0.008 0.000 0.346 106 H C -1.530 173.821 175.328 0.038 0.000 1.294 106 H CA -1.039 54.973 56.048 -0.060 0.000 1.141 106 H CB 0.640 30.279 29.762 -0.205 0.000 1.872 106 H HN 0.126 nan 8.280 nan 0.000 0.541 107 F N -0.427 119.509 119.950 -0.024 0.000 2.678 107 F HA 0.636 5.168 4.527 0.008 0.000 0.308 107 F C -2.365 173.361 175.800 -0.123 0.000 1.118 107 F CA -1.240 56.728 58.000 -0.053 0.000 0.959 107 F CB 0.975 39.954 39.000 -0.035 0.000 1.305 107 F HN 0.412 nan 8.300 nan 0.000 0.443 108 Y N 0.650 121.082 120.300 0.221 0.000 2.457 108 Y HA 0.473 5.029 4.550 0.010 0.000 0.333 108 Y C -0.366 175.597 175.900 0.105 0.000 1.119 108 Y CA -0.704 57.413 58.100 0.028 0.000 1.143 108 Y CB 1.523 39.863 38.460 -0.199 0.000 1.230 108 Y HN 0.868 nan 8.280 nan 0.000 0.469 109 H N 1.303 120.446 119.070 0.122 0.000 2.791 109 H HA 0.494 5.055 4.556 0.008 0.000 0.272 109 H C -1.111 174.081 175.328 -0.226 0.000 1.188 109 H CA -0.523 55.524 56.048 -0.002 0.000 1.436 109 H CB 0.472 30.345 29.762 0.184 0.000 1.467 109 H HN 0.718 nan 8.280 nan 0.000 0.500 110 S N 3.266 118.821 115.700 -0.242 0.000 2.672 110 S HA 0.131 4.606 4.470 0.009 0.000 0.276 110 S C 0.508 174.945 174.600 -0.271 0.000 1.207 110 S CA -0.750 57.209 58.200 -0.401 0.000 1.002 110 S CB 0.716 63.654 63.200 -0.436 0.000 0.998 110 S HN 0.484 nan 8.310 nan 0.000 0.542 111 F N 1.198 121.140 119.950 -0.014 0.000 2.743 111 F HA 0.247 4.779 4.527 0.008 0.000 0.297 111 F C 1.914 177.832 175.800 0.195 0.000 1.131 111 F CA -0.381 57.666 58.000 0.079 0.000 1.426 111 F CB -0.937 38.017 39.000 -0.077 0.000 1.116 111 F HN 0.687 nan 8.300 nan 0.000 0.583 112 G N 1.250 110.220 108.800 0.284 0.000 2.474 112 G HA2 0.177 4.142 3.960 0.009 0.000 0.233 112 G HA3 0.177 4.142 3.960 0.009 0.000 0.233 112 G C -0.035 175.104 174.900 0.397 0.000 1.278 112 G CA -0.480 44.815 45.100 0.325 0.000 0.861 112 G HN 0.118 nan 8.290 nan 0.000 0.567 113 L N 0.700 122.056 121.223 0.222 0.000 2.439 113 L HA 0.240 4.585 4.340 0.009 0.000 0.269 113 L C 0.690 177.508 176.870 -0.086 0.000 1.179 113 L CA -0.289 54.596 54.840 0.076 0.000 0.828 113 L CB 0.895 42.966 42.059 0.020 0.000 1.106 113 L HN 0.291 nan 8.230 nan 0.000 0.467 114 L N 3.936 125.054 121.223 -0.175 0.000 2.264 114 L HA 0.299 4.644 4.340 0.009 0.000 0.287 114 L C -0.157 176.514 176.870 -0.333 0.000 1.039 114 L CA -0.658 53.981 54.840 -0.335 0.000 0.829 114 L CB 0.800 42.710 42.059 -0.249 0.000 1.211 114 L HN 0.615 nan 8.230 nan 0.000 0.427 115 K N 3.668 123.891 120.400 -0.294 0.000 2.489 115 K HA 0.060 4.385 4.320 0.009 0.000 0.278 115 K C -0.718 175.768 176.600 -0.191 0.000 1.000 115 K CA 0.113 56.267 56.287 -0.221 0.000 1.012 115 K CB 0.493 32.862 32.500 -0.218 0.000 0.903 115 K HN 0.259 nan 8.250 nan 0.000 0.485 116 Y N 0.798 121.037 120.300 -0.102 0.000 2.344 116 Y HA 0.192 4.747 4.550 0.007 0.000 0.330 116 Y C 0.199 176.088 175.900 -0.018 0.000 1.330 116 Y CA 0.007 58.074 58.100 -0.055 0.000 1.479 116 Y CB 0.841 39.276 38.460 -0.042 0.000 1.428 116 Y HN 0.590 nan 8.280 nan 0.000 0.544 117 H N 0.894 120.031 119.070 0.112 0.000 3.343 117 H HA 0.202 4.763 4.556 0.008 0.000 0.330 117 H C -1.235 174.118 175.328 0.041 0.000 1.405 117 H CA -0.840 55.167 56.048 -0.069 0.000 1.622 117 H CB -0.072 29.442 29.762 -0.414 0.000 2.184 117 H HN 0.602 nan 8.280 nan 0.000 0.433 118 E N 4.392 124.526 120.200 -0.109 0.000 2.416 118 E HA -0.251 4.104 4.350 0.009 0.000 0.249 118 E C 0.116 176.669 176.600 -0.078 0.000 1.124 118 E CA 1.035 57.353 56.400 -0.137 0.000 0.732 118 E CB -1.512 28.056 29.700 -0.220 0.000 1.286 118 E HN 0.986 nan 8.360 nan 0.000 0.394 119 Q N -2.144 117.575 119.800 -0.135 0.000 2.460 119 Q HA -0.220 4.125 4.340 0.009 0.000 0.248 119 Q C -0.159 175.753 176.000 -0.145 0.000 0.847 119 Q CA 1.420 57.056 55.803 -0.277 0.000 1.214 119 Q CB -0.799 27.817 28.738 -0.202 0.000 1.523 119 Q HN 0.559 nan 8.270 nan 0.000 0.602 120 I N 0.284 120.925 120.570 0.118 0.000 2.499 120 I HA 0.342 4.517 4.170 0.009 0.000 0.288 120 I C -2.343 174.005 176.117 0.385 0.000 1.048 120 I CA -2.338 59.100 61.300 0.230 0.000 1.062 120 I CB 2.095 40.203 38.000 0.181 0.000 1.238 120 I HN -0.225 nan 8.210 nan 0.000 0.426 121 P HA -0.039 nan 4.420 nan 0.000 0.265 121 P C 0.592 177.906 177.300 0.025 0.000 1.187 121 P CA -0.205 62.804 63.100 -0.151 0.000 0.766 121 P CB 0.684 32.134 31.700 -0.417 0.000 0.820 122 L N 4.127 125.350 121.223 0.000 0.000 2.127 122 L HA -0.217 4.128 4.340 0.009 0.000 0.211 122 L C 2.085 179.134 176.870 0.297 0.000 1.089 122 L CA 2.263 57.154 54.840 0.085 0.000 0.757 122 L CB -1.426 40.538 42.059 -0.158 0.000 0.899 122 L HN 0.411 nan 8.230 nan 0.000 0.434 123 S N -1.734 114.050 115.700 0.140 0.000 2.374 123 S HA -0.312 4.163 4.470 0.009 0.000 0.227 123 S C 1.944 176.716 174.600 0.287 0.000 1.037 123 S CA 1.694 59.946 58.200 0.087 0.000 1.024 123 S CB -1.272 61.420 63.200 -0.848 0.000 0.861 123 S HN 0.704 nan 8.310 nan 0.000 0.456 124 H N -0.368 118.727 119.070 0.042 0.000 2.387 124 H HA -0.051 4.510 4.556 0.010 0.000 0.299 124 H C 1.960 177.368 175.328 0.134 0.000 1.090 124 H CA 1.598 57.692 56.048 0.077 0.000 1.332 124 H CB -0.220 29.513 29.762 -0.049 0.000 1.386 124 H HN 0.478 nan 8.280 nan 0.000 0.516 125 Y N -0.510 120.001 120.300 0.352 0.000 2.200 125 Y HA -0.242 4.314 4.550 0.010 0.000 0.290 125 Y C 2.521 178.684 175.900 0.438 0.000 1.137 125 Y CA 1.060 59.359 58.100 0.331 0.000 1.163 125 Y CB -0.614 38.008 38.460 0.270 0.000 0.988 125 Y HN 0.307 nan 8.280 nan 0.000 0.518 126 W N 0.182 121.865 121.300 0.639 0.000 2.333 126 W HA -0.330 4.335 4.660 0.008 0.000 0.316 126 W C 2.199 178.910 176.519 0.321 0.000 1.215 126 W CA 1.892 59.525 57.345 0.480 0.000 1.278 126 W CB -0.999 28.772 29.460 0.517 0.000 1.154 126 W HN 0.101 nan 8.180 nan 0.000 0.486 127 F N 1.925 121.876 119.950 0.001 0.000 2.171 127 F HA -0.167 4.365 4.527 0.008 0.000 0.300 127 F C 2.105 177.729 175.800 -0.293 0.000 1.090 127 F CA 2.402 60.145 58.000 -0.428 0.000 1.293 127 F CB -1.155 37.848 39.000 0.005 0.000 1.013 127 F HN 0.015 nan 8.300 nan 0.000 0.486 128 D N -0.143 120.101 120.400 -0.260 0.000 2.092 128 D HA -0.212 4.433 4.640 0.009 0.000 0.193 128 D C 2.297 178.421 176.300 -0.294 0.000 0.994 128 D CA 1.810 55.624 54.000 -0.310 0.000 0.828 128 D CB -0.097 40.630 40.800 -0.122 0.000 0.963 128 D HN 0.269 nan 8.370 nan 0.000 0.450 129 R N -0.150 120.219 120.500 -0.218 0.000 2.081 129 R HA -0.046 4.299 4.340 0.009 0.000 0.235 129 R C 2.571 178.671 176.300 -0.333 0.000 1.131 129 R CA 1.286 57.262 56.100 -0.207 0.000 0.960 129 R CB -0.536 29.678 30.300 -0.143 0.000 0.856 129 R HN 0.091 nan 8.270 nan 0.000 0.436 130 S N -0.011 115.352 115.700 -0.562 0.000 2.355 130 S HA -0.199 4.276 4.470 0.009 0.000 0.222 130 S C 1.833 176.169 174.600 -0.440 0.000 1.031 130 S CA 1.023 58.887 58.200 -0.560 0.000 0.993 130 S CB -0.289 62.363 63.200 -0.913 0.000 0.859 130 S HN 0.462 nan 8.310 nan 0.000 0.453 131 Y N 1.863 121.702 120.300 -0.768 0.000 2.224 131 Y HA 0.072 4.627 4.550 0.009 0.000 0.289 131 Y C 2.142 177.808 175.900 -0.389 0.000 1.146 131 Y CA 1.570 59.267 58.100 -0.672 0.000 1.182 131 Y CB -0.072 37.746 38.460 -1.070 0.000 0.983 131 Y HN 0.200 nan 8.280 nan 0.000 0.524 132 R N -0.291 120.103 120.500 -0.177 0.000 2.310 132 R HA 0.176 4.521 4.340 0.009 0.000 0.202 132 R C 1.139 177.336 176.300 -0.172 0.000 0.933 132 R CA 0.573 56.588 56.100 -0.142 0.000 1.054 132 R CB -0.078 30.183 30.300 -0.064 0.000 0.985 132 R HN 0.501 nan 8.270 nan 0.000 0.489 133 G N 1.832 110.508 108.800 -0.207 0.000 2.176 133 G HA2 -0.259 3.706 3.960 0.009 0.000 0.252 133 G HA3 -0.259 3.706 3.960 0.009 0.000 0.252 133 G C 0.703 175.527 174.900 -0.126 0.000 1.024 133 G CA 0.116 45.117 45.100 -0.165 0.000 0.755 133 G HN 0.158 nan 8.290 nan 0.000 0.507 134 K N -0.494 119.827 120.400 -0.132 0.000 2.393 134 K HA 0.211 4.536 4.320 0.009 0.000 0.193 134 K C 1.018 177.556 176.600 -0.103 0.000 1.026 134 K CA 1.045 57.273 56.287 -0.098 0.000 1.064 134 K CB 0.592 33.044 32.500 -0.080 0.000 0.833 134 K HN 0.519 nan 8.250 nan 0.000 0.521 135 T N -1.185 113.290 114.554 -0.131 0.000 2.853 135 T HA 0.403 4.758 4.350 0.009 0.000 0.311 135 T C -0.330 174.324 174.700 -0.076 0.000 1.307 135 T CA -0.557 61.480 62.100 -0.105 0.000 1.019 135 T CB 1.671 70.457 68.868 -0.138 0.000 1.264 135 T HN -0.261 nan 8.240 nan 0.000 0.497 136 V N 1.672 121.578 119.914 -0.015 0.000 3.398 136 V HA 0.349 4.474 4.120 0.009 0.000 0.298 136 V C 0.678 176.827 176.094 0.092 0.000 1.496 136 V CA -0.294 62.017 62.300 0.019 0.000 1.044 136 V CB 0.368 32.189 31.823 -0.004 0.000 0.880 136 V HN 0.849 nan 8.190 nan 0.000 0.443 137 E N 2.370 122.649 120.200 0.130 0.000 2.360 137 E HA 0.180 4.535 4.350 0.009 0.000 0.269 137 E C -2.418 174.413 176.600 0.386 0.000 1.022 137 E CA -1.655 54.856 56.400 0.185 0.000 0.887 137 E CB 1.068 30.855 29.700 0.144 0.000 0.990 137 E HN 0.209 nan 8.360 nan 0.000 0.426 138 P HA -0.031 nan 4.420 nan 0.000 0.272 138 P C -0.088 177.257 177.300 0.075 0.000 1.223 138 P CA -0.137 63.125 63.100 0.269 0.000 0.784 138 P CB 0.340 32.155 31.700 0.193 0.000 0.923 139 F N 3.614 123.254 119.950 -0.518 0.000 2.063 139 F HA -0.306 4.226 4.527 0.009 0.000 0.298 139 F C 1.750 177.313 175.800 -0.395 0.000 1.109 139 F CA 2.478 59.740 58.000 -1.230 0.000 1.212 139 F CB -0.635 37.581 39.000 -1.306 0.000 0.973 139 F HN 0.347 nan 8.300 nan 0.000 0.480 140 D N -0.819 119.319 120.400 -0.436 0.000 2.117 140 D HA -0.282 4.363 4.640 0.009 0.000 0.197 140 D C 2.024 178.201 176.300 -0.205 0.000 0.987 140 D CA 1.749 55.537 54.000 -0.353 0.000 0.829 140 D CB -1.561 39.183 40.800 -0.094 0.000 0.961 140 D HN 0.460 nan 8.370 nan 0.000 0.460 141 Y N 0.981 121.225 120.300 -0.093 0.000 2.439 141 Y HA 0.189 4.745 4.550 0.009 0.000 0.292 141 Y C 2.749 178.619 175.900 -0.049 0.000 1.130 141 Y CA 0.904 58.988 58.100 -0.028 0.000 1.254 141 Y CB -0.163 38.307 38.460 0.017 0.000 1.000 141 Y HN 0.129 nan 8.280 nan 0.000 0.554 142 A N -1.876 120.951 122.820 0.011 0.000 1.943 142 A HA -0.052 4.273 4.320 0.009 0.000 0.213 142 A C 1.891 179.506 177.584 0.051 0.000 1.181 142 A CA 1.275 53.320 52.037 0.014 0.000 0.653 142 A CB -0.903 18.116 19.000 0.032 0.000 0.833 142 A HN 0.477 nan 8.150 nan 0.000 0.451 143 C N -2.052 117.137 119.300 -0.185 0.000 2.912 143 C HA 0.384 4.849 4.460 0.009 0.000 0.274 143 C C 0.163 174.859 174.990 -0.491 0.000 1.248 143 C CA -0.562 58.281 59.018 -0.293 0.000 1.694 143 C CB -1.443 25.970 27.740 -0.545 0.000 2.024 143 C HN 0.499 nan 8.230 nan 0.000 0.605 144 Y N 1.240 121.385 120.300 -0.259 0.000 2.468 144 Y HA 0.320 4.875 4.550 0.009 0.000 0.342 144 Y C 1.317 177.111 175.900 -0.176 0.000 1.021 144 Y CA -0.815 57.156 58.100 -0.216 0.000 1.079 144 Y CB 1.077 39.372 38.460 -0.275 0.000 1.226 144 Y HN 0.051 nan 8.280 nan 0.000 0.460 145 K N -0.506 119.909 120.400 0.025 0.000 2.314 145 K HA 0.025 4.350 4.320 0.009 0.000 0.198 145 K C 0.596 177.149 176.600 -0.078 0.000 1.045 145 K CA 1.043 57.316 56.287 -0.024 0.000 0.988 145 K CB 0.202 32.692 32.500 -0.017 0.000 0.783 145 K HN 0.530 nan 8.250 nan 0.000 0.484 146 E N 2.050 122.190 120.200 -0.099 0.000 2.038 146 E HA -0.110 4.246 4.350 0.009 0.000 0.195 146 E C -0.947 175.404 176.600 -0.414 0.000 1.000 146 E CA 1.488 57.753 56.400 -0.224 0.000 0.803 146 E CB -1.449 28.101 29.700 -0.250 0.000 0.750 146 E HN 0.251 nan 8.360 nan 0.000 0.448 147 P HA -0.280 nan 4.420 nan 0.000 0.219 147 P C 1.688 178.719 177.300 -0.449 0.000 1.158 147 P CA 2.277 64.849 63.100 -0.881 0.000 0.895 147 P CB -0.211 30.759 31.700 -1.217 0.000 0.792 148 V N -1.599 118.196 119.914 -0.197 0.000 2.358 148 V HA -0.188 3.937 4.120 0.009 0.000 0.246 148 V C 2.174 178.261 176.094 -0.011 0.000 1.047 148 V CA 2.032 64.345 62.300 0.021 0.000 1.035 148 V CB -1.924 29.942 31.823 0.072 0.000 0.658 148 V HN 0.181 nan 8.190 nan 0.000 0.452 149 I N -2.169 118.358 120.570 -0.071 0.000 2.928 149 I HA 0.038 4.214 4.170 0.009 0.000 0.266 149 I C 2.206 178.297 176.117 -0.043 0.000 1.234 149 I CA 1.205 62.478 61.300 -0.046 0.000 1.483 149 I CB -0.401 37.563 38.000 -0.059 0.000 1.097 149 I HN 0.227 nan 8.210 nan 0.000 0.455 150 L N 0.829 121.978 121.223 -0.124 0.000 2.162 150 L HA -0.017 4.328 4.340 0.009 0.000 0.205 150 L C 1.942 178.880 176.870 0.114 0.000 1.086 150 L CA 0.804 55.608 54.840 -0.060 0.000 0.778 150 L CB -0.638 41.158 42.059 -0.439 0.000 0.928 150 L HN 0.197 nan 8.230 nan 0.000 0.446 151 D N 0.729 121.175 120.400 0.077 0.000 2.263 151 D HA -0.108 4.537 4.640 0.009 0.000 0.208 151 D C 1.691 178.089 176.300 0.165 0.000 0.971 151 D CA 1.204 55.316 54.000 0.186 0.000 0.867 151 D CB 0.266 41.208 40.800 0.237 0.000 0.929 151 D HN 0.283 nan 8.370 nan 0.000 0.492 152 A N -0.061 122.831 122.820 0.120 0.000 2.423 152 A HA 0.126 4.452 4.320 0.009 0.000 0.246 152 A C 0.411 178.052 177.584 0.095 0.000 1.278 152 A CA -0.258 51.837 52.037 0.098 0.000 0.903 152 A CB -0.631 18.410 19.000 0.068 0.000 0.997 152 A HN 0.232 nan 8.150 nan 0.000 0.510 153 N N 0.190 118.968 118.700 0.130 0.000 2.721 153 N HA -0.148 4.597 4.740 0.009 0.000 0.249 153 N C -0.371 175.167 175.510 0.047 0.000 1.072 153 N CA 0.064 53.174 53.050 0.100 0.000 0.710 153 N CB -0.540 37.995 38.487 0.080 0.000 0.993 153 N HN 0.385 nan 8.380 nan 0.000 0.547 154 R N 0.706 121.220 120.500 0.023 0.000 2.679 154 R HA 0.250 4.596 4.340 0.009 0.000 0.269 154 R C 0.800 177.050 176.300 -0.084 0.000 1.076 154 R CA -0.142 55.943 56.100 -0.025 0.000 1.160 154 R CB 0.856 31.133 30.300 -0.039 0.000 1.054 154 R HN 0.174 nan 8.270 nan 0.000 0.507 155 S N 1.902 117.516 115.700 -0.143 0.000 2.584 155 S HA 0.241 4.717 4.470 0.009 0.000 0.273 155 S C -1.495 172.871 174.600 -0.390 0.000 1.311 155 S CA -1.372 56.642 58.200 -0.310 0.000 1.034 155 S CB 0.777 63.756 63.200 -0.368 0.000 0.939 155 S HN 0.392 nan 8.310 nan 0.000 0.513 156 P HA 0.141 nan 4.420 nan 0.000 0.249 156 P C -0.361 176.642 177.300 -0.495 0.000 1.229 156 P CA 0.262 63.100 63.100 -0.437 0.000 0.788 156 P CB 0.154 31.581 31.700 -0.455 0.000 1.072 157 R N 0.054 120.095 120.500 -0.765 0.000 2.621 157 R HA 0.424 4.769 4.340 0.009 0.000 0.284 157 R C 0.222 176.177 176.300 -0.574 0.000 0.998 157 R CA -0.848 54.822 56.100 -0.717 0.000 0.895 157 R CB 2.355 32.013 30.300 -1.070 0.000 1.195 157 R HN -0.024 nan 8.270 nan 0.000 0.450 158 R N 1.439 121.789 120.500 -0.250 0.000 2.707 158 R HA 0.126 4.472 4.340 0.009 0.000 0.270 158 R C 1.483 177.816 176.300 0.056 0.000 1.083 158 R CA -0.271 55.776 56.100 -0.088 0.000 1.182 158 R CB 0.520 30.796 30.300 -0.040 0.000 1.084 158 R HN 0.508 nan 8.270 nan 0.000 0.528 159 L N 1.111 122.403 121.223 0.116 0.000 2.129 159 L HA -0.244 4.101 4.340 0.009 0.000 0.212 159 L C 1.628 178.582 176.870 0.140 0.000 1.087 159 L CA 1.675 56.622 54.840 0.179 0.000 0.757 159 L CB -0.651 41.454 42.059 0.077 0.000 0.896 159 L HN 0.765 nan 8.230 nan 0.000 0.434 160 D N -0.966 119.486 120.400 0.087 0.000 2.371 160 D HA -0.012 4.633 4.640 0.009 0.000 0.221 160 D C 1.496 177.852 176.300 0.093 0.000 0.986 160 D CA 0.923 54.962 54.000 0.064 0.000 0.899 160 D CB 0.129 40.950 40.800 0.036 0.000 0.902 160 D HN 0.297 nan 8.370 nan 0.000 0.530 161 G N -0.259 108.631 108.800 0.149 0.000 2.195 161 G HA2 -0.264 3.702 3.960 0.009 0.000 0.224 161 G HA3 -0.264 3.702 3.960 0.009 0.000 0.224 161 G C 0.366 175.298 174.900 0.054 0.000 0.990 161 G CA 0.116 45.315 45.100 0.165 0.000 0.639 161 G HN 0.830 nan 8.290 nan 0.000 0.514 162 S N 0.271 115.981 115.700 0.017 0.000 2.549 162 S HA 0.506 4.981 4.470 0.009 0.000 0.283 162 S C 0.182 174.757 174.600 -0.042 0.000 1.320 162 S CA 0.238 58.440 58.200 0.002 0.000 1.058 162 S CB 1.990 65.193 63.200 0.004 0.000 0.882 162 S HN 0.621 nan 8.310 nan 0.000 0.498 163 K N 1.614 122.016 120.400 0.002 0.000 2.276 163 K HA 0.326 4.651 4.320 0.009 0.000 0.283 163 K C 0.654 177.256 176.600 0.002 0.000 1.044 163 K CA -0.466 55.828 56.287 0.012 0.000 0.944 163 K CB 0.945 33.520 32.500 0.124 0.000 1.012 163 K HN 0.697 nan 8.250 nan 0.000 0.472 164 V N 0.379 120.277 119.914 -0.026 0.000 3.528 164 V HA 0.259 4.384 4.120 0.009 0.000 0.294 164 V C 0.013 176.113 176.094 0.010 0.000 1.404 164 V CA 0.407 62.696 62.300 -0.018 0.000 1.065 164 V CB 0.432 32.225 31.823 -0.050 0.000 0.904 164 V HN 0.788 nan 8.190 nan 0.000 0.435 165 T N 0.413 114.994 114.554 0.045 0.000 2.775 165 T HA 0.344 4.699 4.350 0.009 0.000 0.320 165 T C -1.341 173.431 174.700 0.120 0.000 1.597 165 T CA -0.508 61.637 62.100 0.075 0.000 1.022 165 T CB 1.358 70.257 68.868 0.051 0.000 1.485 165 T HN 0.468 nan 8.240 nan 0.000 0.494 166 N N 1.381 120.140 118.700 0.098 0.000 2.508 166 N HA 0.590 5.335 4.740 0.009 0.000 0.264 166 N C -1.003 174.523 175.510 0.027 0.000 1.216 166 N CA 0.026 53.055 53.050 -0.035 0.000 0.943 166 N CB 0.392 38.867 38.487 -0.019 0.000 1.113 166 N HN 0.630 nan 8.380 nan 0.000 0.447 167 Y N -1.784 118.346 120.300 -0.283 0.000 2.656 167 Y HA 0.787 5.341 4.550 0.007 0.000 0.334 167 Y C -1.203 174.185 175.900 -0.854 0.000 1.179 167 Y CA -1.425 56.484 58.100 -0.319 0.000 1.050 167 Y CB 0.484 38.813 38.460 -0.218 0.000 1.308 167 Y HN 0.528 nan 8.280 nan 0.000 0.456 168 A N 0.934 123.404 122.820 -0.583 0.000 2.793 168 A HA 0.895 5.220 4.320 0.009 0.000 0.236 168 A C -1.568 175.521 177.584 -0.824 0.000 1.242 168 A CA -0.871 50.607 52.037 -0.932 0.000 0.885 168 A CB 1.111 19.878 19.000 -0.388 0.000 1.436 168 A HN 0.782 nan 8.150 nan 0.000 0.483 169 W N -1.382 120.006 121.300 0.147 0.000 2.975 169 W HA 0.534 5.198 4.660 0.007 0.000 0.342 169 W C -1.046 175.483 176.519 0.016 0.000 1.168 169 W CA -0.218 57.202 57.345 0.125 0.000 1.141 169 W CB 1.025 30.776 29.460 0.486 0.000 1.445 169 W HN 0.738 nan 8.180 nan 0.000 0.560 170 H N 0.906 120.137 119.070 0.269 0.000 2.529 170 H HA 0.475 5.037 4.556 0.010 0.000 0.348 170 H C -0.860 174.575 175.328 0.179 0.000 1.079 170 H CA -0.558 55.520 56.048 0.051 0.000 1.198 170 H CB 1.951 31.764 29.762 0.086 0.000 1.521 170 H HN 0.236 nan 8.280 nan 0.000 0.514 171 F N -0.638 119.518 119.950 0.343 0.000 2.807 171 F HA 0.233 4.764 4.527 0.008 0.000 0.316 171 F C -1.575 174.342 175.800 0.196 0.000 1.162 171 F CA -1.441 56.715 58.000 0.260 0.000 0.910 171 F CB 0.747 39.939 39.000 0.320 0.000 1.314 171 F HN 0.269 nan 8.300 nan 0.000 0.454 172 D N 1.316 122.030 120.400 0.522 0.000 2.316 172 D HA 0.460 5.105 4.640 0.009 0.000 0.245 172 D C 1.093 177.664 176.300 0.452 0.000 1.171 172 D CA 0.517 54.747 54.000 0.383 0.000 0.856 172 D CB 1.946 42.922 40.800 0.294 0.000 1.090 172 D HN 0.877 nan 8.370 nan 0.000 0.476 173 A N 5.225 128.257 122.820 0.353 0.000 1.948 173 A HA -0.252 4.073 4.320 0.009 0.000 0.220 173 A C 1.872 179.540 177.584 0.140 0.000 1.177 173 A CA 1.351 53.549 52.037 0.268 0.000 0.636 173 A CB -0.677 18.372 19.000 0.082 0.000 0.815 173 A HN 0.769 nan 8.150 nan 0.000 0.449 174 H N -0.059 119.132 119.070 0.202 0.000 2.319 174 H HA -0.122 4.439 4.556 0.009 0.000 0.297 174 H C 2.075 177.486 175.328 0.138 0.000 1.097 174 H CA 1.826 57.969 56.048 0.157 0.000 1.285 174 H CB -0.459 29.385 29.762 0.137 0.000 1.368 174 H HN 0.467 nan 8.280 nan 0.000 0.495 175 L N 0.000 121.380 121.223 0.262 0.000 2.093 175 L HA -0.119 4.226 4.340 0.009 0.000 0.208 175 L C 2.704 179.663 176.870 0.149 0.000 1.085 175 L CA 0.581 55.529 54.840 0.180 0.000 0.755 175 L CB -0.442 41.709 42.059 0.153 0.000 0.904 175 L HN 0.061 nan 8.230 nan 0.000 0.435 176 V N 0.336 120.305 119.914 0.092 0.000 2.358 176 V HA -0.236 3.889 4.120 0.009 0.000 0.246 176 V C 2.812 179.005 176.094 0.164 0.000 1.047 176 V CA 1.722 64.047 62.300 0.042 0.000 1.035 176 V CB -0.742 30.939 31.823 -0.238 0.000 0.658 176 V HN 0.456 nan 8.190 nan 0.000 0.452 177 A N -0.528 122.383 122.820 0.153 0.000 1.933 177 A HA -0.272 4.053 4.320 0.009 0.000 0.218 177 A C 2.090 179.698 177.584 0.041 0.000 1.175 177 A CA 2.021 54.163 52.037 0.175 0.000 0.628 177 A CB -0.574 18.565 19.000 0.232 0.000 0.814 177 A HN 0.537 nan 8.150 nan 0.000 0.444 178 D N -1.312 119.129 120.400 0.068 0.000 2.117 178 D HA -0.124 4.522 4.640 0.009 0.000 0.198 178 D C 1.669 177.965 176.300 -0.007 0.000 0.982 178 D CA 1.280 55.272 54.000 -0.012 0.000 0.828 178 D CB -0.289 40.553 40.800 0.070 0.000 0.967 178 D HN 0.439 nan 8.370 nan 0.000 0.464 179 F N 1.620 121.553 119.950 -0.027 0.000 2.095 179 F HA -0.149 4.383 4.527 0.008 0.000 0.298 179 F C 2.219 178.034 175.800 0.025 0.000 1.104 179 F CA 1.183 59.188 58.000 0.008 0.000 1.232 179 F CB -0.424 38.604 39.000 0.046 0.000 0.987 179 F HN -0.120 nan 8.300 nan 0.000 0.475 180 L N -0.040 121.213 121.223 0.051 0.000 2.141 180 L HA -0.168 4.177 4.340 0.009 0.000 0.209 180 L C 2.701 179.471 176.870 -0.167 0.000 1.094 180 L CA 1.449 56.311 54.840 0.036 0.000 0.763 180 L CB -0.698 41.523 42.059 0.270 0.000 0.908 180 L HN 0.137 nan 8.230 nan 0.000 0.437 181 R N 0.489 120.641 120.500 -0.581 0.000 2.073 181 R HA -0.153 4.192 4.340 0.009 0.000 0.234 181 R C 2.461 178.352 176.300 -0.683 0.000 1.134 181 R CA 1.352 56.651 56.100 -1.336 0.000 0.952 181 R CB -0.073 29.205 30.300 -1.704 0.000 0.850 181 R HN 0.249 nan 8.270 nan 0.000 0.433 182 R N -0.567 119.688 120.500 -0.409 0.000 2.081 182 R HA -0.159 4.186 4.340 0.009 0.000 0.235 182 R C 2.233 178.406 176.300 -0.211 0.000 1.131 182 R CA 1.690 57.637 56.100 -0.256 0.000 0.960 182 R CB -0.494 29.702 30.300 -0.175 0.000 0.856 182 R HN 0.243 nan 8.270 nan 0.000 0.436 183 F N 1.434 121.143 119.950 -0.402 0.000 2.075 183 F HA -0.160 4.372 4.527 0.009 0.000 0.297 183 F C 2.286 177.970 175.800 -0.194 0.000 1.113 183 F CA 1.416 59.213 58.000 -0.339 0.000 1.218 183 F CB -0.566 38.165 39.000 -0.450 0.000 0.984 183 F HN -0.024 nan 8.300 nan 0.000 0.472 184 A N -0.136 122.551 122.820 -0.222 0.000 1.877 184 A HA -0.217 4.108 4.320 0.009 0.000 0.216 184 A C 2.263 179.744 177.584 -0.172 0.000 1.186 184 A CA 2.831 54.757 52.037 -0.186 0.000 0.620 184 A CB -1.645 17.460 19.000 0.175 0.000 0.822 184 A HN 0.559 nan 8.150 nan 0.000 0.443 185 T N -2.437 112.030 114.554 -0.145 0.000 2.851 185 T HA -0.044 4.311 4.350 0.009 0.000 0.262 185 T C 1.651 176.279 174.700 -0.120 0.000 1.043 185 T CA 1.457 63.508 62.100 -0.082 0.000 1.140 185 T CB -0.274 68.562 68.868 -0.054 0.000 0.872 185 T HN 0.582 nan 8.240 nan 0.000 0.446 186 E N 1.039 121.139 120.200 -0.166 0.000 2.112 186 E HA 0.064 4.420 4.350 0.009 0.000 0.190 186 E C 2.167 178.655 176.600 -0.186 0.000 0.979 186 E CA 0.739 57.053 56.400 -0.144 0.000 0.814 186 E CB 0.131 29.760 29.700 -0.118 0.000 0.762 186 E HN 0.498 nan 8.360 nan 0.000 0.460 187 K N -0.292 119.915 120.400 -0.321 0.000 2.367 187 K HA 0.206 4.531 4.320 0.009 0.000 0.195 187 K C 1.350 177.709 176.600 -0.402 0.000 1.060 187 K CA 0.113 56.180 56.287 -0.367 0.000 1.022 187 K CB 0.794 33.019 32.500 -0.459 0.000 0.894 187 K HN 0.044 nan 8.250 nan 0.000 0.540 188 L N -0.338 120.630 121.223 -0.425 0.000 2.766 188 L HA 0.253 4.599 4.340 0.009 0.000 0.242 188 L C 0.804 177.570 176.870 -0.173 0.000 1.136 188 L CA 0.084 54.737 54.840 -0.312 0.000 0.933 188 L CB 0.701 42.549 42.059 -0.351 0.000 1.241 188 L HN 0.329 nan 8.230 nan 0.000 0.522 189 G N 1.014 109.731 108.800 -0.139 0.000 2.153 189 G HA2 -0.255 3.710 3.960 0.009 0.000 0.252 189 G HA3 -0.255 3.710 3.960 0.009 0.000 0.252 189 G C 0.261 175.140 174.900 -0.035 0.000 0.994 189 G CA 0.179 45.234 45.100 -0.075 0.000 0.698 189 G HN 0.120 nan 8.290 nan 0.000 0.521 190 V N 0.913 120.816 119.914 -0.018 0.000 2.572 190 V HA 0.307 4.433 4.120 0.009 0.000 0.291 190 V C 1.230 177.376 176.094 0.087 0.000 1.039 190 V CA -0.041 62.282 62.300 0.039 0.000 1.055 190 V CB 1.321 33.205 31.823 0.102 0.000 0.969 190 V HN 0.520 nan 8.190 nan 0.000 0.482 191 R N 3.986 124.534 120.500 0.079 0.000 2.265 191 R HA 0.271 4.617 4.340 0.009 0.000 0.314 191 R C -0.239 176.175 176.300 0.189 0.000 1.053 191 R CA -0.446 55.724 56.100 0.116 0.000 0.931 191 R CB 0.410 30.762 30.300 0.088 0.000 1.024 191 R HN 0.928 nan 8.270 nan 0.000 0.457 192 H N 3.869 123.012 119.070 0.122 0.000 2.519 192 H HA 0.357 4.919 4.556 0.009 0.000 0.316 192 H C -1.258 174.121 175.328 0.086 0.000 1.065 192 H CA -0.942 55.205 56.048 0.165 0.000 1.264 192 H CB 1.268 31.205 29.762 0.292 0.000 1.413 192 H HN 0.265 nan 8.280 nan 0.000 0.465 193 V N 6.083 126.109 119.914 0.187 0.000 2.444 193 V HA 0.108 4.233 4.120 0.009 0.000 0.294 193 V C -0.412 175.663 176.094 -0.032 0.000 1.022 193 V CA -0.753 61.546 62.300 -0.002 0.000 0.850 193 V CB 1.573 33.351 31.823 -0.075 0.000 0.992 193 V HN 0.850 nan 8.190 nan 0.000 0.426 194 E N 4.092 124.223 120.200 -0.115 0.000 1.993 194 E HA 0.485 4.840 4.350 0.009 0.000 0.271 194 E C -0.971 175.630 176.600 0.002 0.000 1.008 194 E CA -0.255 56.112 56.400 -0.056 0.000 0.814 194 E CB 1.099 30.729 29.700 -0.116 0.000 1.098 194 E HN 0.594 nan 8.360 nan 0.000 0.407 195 D N 1.534 121.945 120.400 0.020 0.000 2.622 195 D HA 0.204 4.849 4.640 0.009 0.000 0.255 195 D C -1.316 175.005 176.300 0.035 0.000 1.246 195 D CA -0.717 53.309 54.000 0.042 0.000 0.795 195 D CB 1.815 42.665 40.800 0.084 0.000 1.369 195 D HN 0.193 nan 8.370 nan 0.000 0.425 196 R N 1.432 121.960 120.500 0.048 0.000 2.393 196 R HA 0.550 4.895 4.340 0.009 0.000 0.310 196 R C -0.777 175.554 176.300 0.053 0.000 0.968 196 R CA -0.644 55.481 56.100 0.041 0.000 0.867 196 R CB 1.263 31.587 30.300 0.040 0.000 1.124 196 R HN 0.199 nan 8.270 nan 0.000 0.450 197 V N 4.304 124.241 119.914 0.039 0.000 2.529 197 V HA -0.021 4.105 4.120 0.009 0.000 0.292 197 V C 1.071 177.200 176.094 0.057 0.000 1.028 197 V CA 0.729 63.060 62.300 0.052 0.000 1.074 197 V CB 1.223 33.061 31.823 0.024 0.000 0.958 197 V HN 0.956 nan 8.190 nan 0.000 0.481 198 E N 2.678 122.929 120.200 0.086 0.000 2.421 198 E HA 0.143 4.498 4.350 0.009 0.000 0.209 198 E C 0.003 176.689 176.600 0.143 0.000 0.871 198 E CA -0.074 56.383 56.400 0.094 0.000 1.064 198 E CB 0.623 30.379 29.700 0.094 0.000 1.075 198 E HN 0.865 nan 8.360 nan 0.000 0.513 199 H N -0.908 118.178 119.070 0.026 0.000 3.029 199 H HA 0.378 4.939 4.556 0.009 0.000 0.358 199 H C -1.884 173.449 175.328 0.007 0.000 1.129 199 H CA -0.706 55.350 56.048 0.013 0.000 1.230 199 H CB 1.586 31.357 29.762 0.014 0.000 1.827 199 H HN -0.145 nan 8.280 nan 0.000 0.530 200 V N 4.776 124.339 119.914 -0.586 0.000 2.357 200 V HA 0.280 4.405 4.120 0.009 0.000 0.284 200 V C -0.238 175.521 176.094 -0.558 0.000 1.018 200 V CA -0.723 61.329 62.300 -0.413 0.000 0.841 200 V CB 1.205 32.857 31.823 -0.284 0.000 0.991 200 V HN 0.724 nan 8.190 nan 0.000 0.437 201 Q N 4.809 124.445 119.800 -0.274 0.000 2.278 201 Q HA 0.525 4.870 4.340 0.009 0.000 0.257 201 Q C -0.427 175.500 176.000 -0.121 0.000 0.928 201 Q CA -0.043 55.695 55.803 -0.109 0.000 0.932 201 Q CB 1.051 29.835 28.738 0.077 0.000 1.221 201 Q HN 0.699 nan 8.270 nan 0.000 0.434 202 R N 2.115 122.559 120.500 -0.093 0.000 2.787 202 R HA 0.448 4.793 4.340 0.009 0.000 0.271 202 R C -0.549 175.729 176.300 -0.037 0.000 0.993 202 R CA -0.863 55.185 56.100 -0.088 0.000 0.993 202 R CB 0.938 31.185 30.300 -0.088 0.000 1.155 202 R HN 0.779 nan 8.270 nan 0.000 0.486 203 D N 0.449 120.832 120.400 -0.030 0.000 2.511 203 D HA 0.221 4.866 4.640 0.009 0.000 0.276 203 D C 0.698 176.994 176.300 -0.007 0.000 1.220 203 D CA -0.614 53.381 54.000 -0.008 0.000 1.077 203 D CB 0.344 41.145 40.800 0.002 0.000 1.126 203 D HN 0.409 nan 8.370 nan 0.000 0.583 204 A N -0.614 122.205 122.820 -0.001 0.000 2.067 204 A HA -0.162 4.163 4.320 0.009 0.000 0.219 204 A C 1.619 179.201 177.584 -0.004 0.000 1.158 204 A CA 1.097 53.133 52.037 -0.001 0.000 0.661 204 A CB -1.090 17.911 19.000 0.002 0.000 0.801 204 A HN 0.653 nan 8.150 nan 0.000 0.452 205 N N -1.210 117.488 118.700 -0.003 0.000 2.467 205 N HA 0.211 4.956 4.740 0.009 0.000 0.184 205 N C 1.040 176.544 175.510 -0.009 0.000 1.106 205 N CA 0.380 53.428 53.050 -0.004 0.000 0.892 205 N CB 0.124 38.611 38.487 -0.000 0.000 0.969 205 N HN 0.593 nan 8.380 nan 0.000 0.454 206 G N 0.856 109.647 108.800 -0.014 0.000 2.176 206 G HA2 -0.270 3.696 3.960 0.009 0.000 0.253 206 G HA3 -0.270 3.696 3.960 0.009 0.000 0.253 206 G C -0.174 174.707 174.900 -0.032 0.000 0.979 206 G CA -0.253 44.834 45.100 -0.023 0.000 0.641 206 G HN 0.366 nan 8.290 nan 0.000 0.530 207 N N -0.308 118.377 118.700 -0.025 0.000 2.445 207 N HA 0.544 5.289 4.740 0.009 0.000 0.264 207 N C 0.402 175.857 175.510 -0.092 0.000 1.227 207 N CA -0.600 52.432 53.050 -0.031 0.000 0.963 207 N CB 0.889 39.383 38.487 0.012 0.000 1.188 207 N HN 0.214 nan 8.380 nan 0.000 0.491 208 I N 1.181 121.639 120.570 -0.187 0.000 2.471 208 I HA -0.043 4.132 4.170 0.009 0.000 0.286 208 I C 1.551 177.502 176.117 -0.276 0.000 1.079 208 I CA 0.374 61.432 61.300 -0.402 0.000 1.398 208 I CB 0.895 38.315 38.000 -0.966 0.000 1.403 208 I HN 0.764 nan 8.210 nan 0.000 0.530 209 E N 4.363 124.460 120.200 -0.171 0.000 2.099 209 E HA -0.004 4.351 4.350 0.009 0.000 0.191 209 E C 0.205 176.857 176.600 0.087 0.000 0.962 209 E CA 0.530 56.929 56.400 -0.001 0.000 0.826 209 E CB 0.516 30.219 29.700 0.006 0.000 0.788 209 E HN 0.775 nan 8.360 nan 0.000 0.461 210 S N -0.962 114.736 115.700 -0.004 0.000 2.636 210 S HA 0.441 4.917 4.470 0.009 0.000 0.266 210 S C -0.963 173.671 174.600 0.057 0.000 1.147 210 S CA -0.529 57.755 58.200 0.141 0.000 0.815 210 S CB 1.502 64.798 63.200 0.160 0.000 1.119 210 S HN 0.308 nan 8.310 nan 0.000 0.470 211 V N -0.943 119.088 119.914 0.194 0.000 2.656 211 V HA 0.883 5.009 4.120 0.009 0.000 0.307 211 V C -0.476 175.759 176.094 0.235 0.000 1.051 211 V CA -0.856 61.536 62.300 0.153 0.000 0.893 211 V CB 1.502 33.420 31.823 0.158 0.000 0.999 211 V HN 1.224 nan 8.190 nan 0.000 0.426 212 R N 2.765 123.386 120.500 0.201 0.000 2.514 212 R HA 0.729 5.074 4.340 0.009 0.000 0.301 212 R C 0.203 176.616 176.300 0.189 0.000 0.962 212 R CA 0.216 56.436 56.100 0.199 0.000 0.882 212 R CB 1.856 32.259 30.300 0.173 0.000 1.143 212 R HN 1.114 nan 8.270 nan 0.000 0.452 213 T N 0.694 115.370 114.554 0.203 0.000 2.862 213 T HA 0.382 4.737 4.350 0.009 0.000 0.276 213 T C 1.336 176.104 174.700 0.113 0.000 0.974 213 T CA -0.232 61.968 62.100 0.167 0.000 0.966 213 T CB 1.557 70.558 68.868 0.221 0.000 1.072 213 T HN 0.630 nan 8.240 nan 0.000 0.538 214 A N 0.626 123.499 122.820 0.089 0.000 2.019 214 A HA 0.003 4.328 4.320 0.009 0.000 0.219 214 A C 2.329 179.946 177.584 0.056 0.000 1.164 214 A CA 1.885 53.960 52.037 0.064 0.000 0.644 214 A CB -1.560 17.471 19.000 0.053 0.000 0.805 214 A HN 1.095 nan 8.150 nan 0.000 0.449 215 T N -4.676 109.919 114.554 0.067 0.000 3.129 215 T HA 0.402 4.757 4.350 0.009 0.000 0.251 215 T C 1.353 176.078 174.700 0.041 0.000 1.117 215 T CA 1.033 63.164 62.100 0.052 0.000 1.034 215 T CB 0.059 68.962 68.868 0.060 0.000 0.968 215 T HN 1.643 nan 8.240 nan 0.000 0.526 216 G N 1.463 110.291 108.800 0.048 0.000 2.175 216 G HA2 -0.253 3.712 3.960 0.009 0.000 0.244 216 G HA3 -0.253 3.712 3.960 0.009 0.000 0.244 216 G C 0.150 175.054 174.900 0.008 0.000 0.982 216 G CA -0.286 44.829 45.100 0.025 0.000 0.641 216 G HN 0.662 nan 8.290 nan 0.000 0.527 217 R N -0.257 120.257 120.500 0.023 0.000 2.490 217 R HA 0.534 4.879 4.340 0.009 0.000 0.280 217 R C 0.046 176.285 176.300 -0.102 0.000 1.077 217 R CA -0.139 55.908 56.100 -0.088 0.000 1.065 217 R CB 1.401 31.655 30.300 -0.076 0.000 1.003 217 R HN 0.108 nan 8.270 nan 0.000 0.470 218 V N 4.465 124.212 119.914 -0.278 0.000 2.448 218 V HA 0.429 4.554 4.120 0.009 0.000 0.295 218 V C -0.856 175.033 176.094 -0.342 0.000 1.025 218 V CA -0.610 61.605 62.300 -0.142 0.000 0.859 218 V CB 1.093 32.883 31.823 -0.055 0.000 0.988 218 V HN 0.508 nan 8.190 nan 0.000 0.431 219 F N 2.929 122.929 119.950 0.083 0.000 2.482 219 F HA 0.624 5.156 4.527 0.009 0.000 0.331 219 F C 0.112 175.999 175.800 0.143 0.000 1.115 219 F CA -0.914 57.137 58.000 0.085 0.000 0.955 219 F CB 1.763 40.807 39.000 0.074 0.000 1.136 219 F HN 0.675 nan 8.300 nan 0.000 0.452 220 D N 1.234 121.784 120.400 0.250 0.000 2.374 220 D HA 0.881 5.526 4.640 0.009 0.000 0.239 220 D C -1.027 175.314 176.300 0.069 0.000 0.991 220 D CA -0.779 53.368 54.000 0.245 0.000 0.960 220 D CB 2.096 42.990 40.800 0.156 0.000 1.284 220 D HN 0.760 nan 8.370 nan 0.000 0.512 221 A N 0.131 122.932 122.820 -0.032 0.000 2.564 221 A HA 0.437 4.763 4.320 0.009 0.000 0.291 221 A C -0.693 176.783 177.584 -0.180 0.000 1.102 221 A CA -0.704 51.133 52.037 -0.334 0.000 0.660 221 A CB 1.076 19.542 19.000 -0.891 0.000 1.283 221 A HN 0.521 nan 8.150 nan 0.000 0.430 222 D N -0.823 119.476 120.400 -0.167 0.000 2.301 222 D HA 0.199 4.844 4.640 0.009 0.000 0.206 222 D C -0.216 176.060 176.300 -0.040 0.000 0.979 222 D CA 1.083 55.061 54.000 -0.037 0.000 0.874 222 D CB 0.602 41.386 40.800 -0.027 0.000 0.968 222 D HN 0.255 nan 8.370 nan 0.000 0.510 223 L N 0.283 121.382 121.223 -0.207 0.000 2.436 223 L HA 0.384 4.729 4.340 0.009 0.000 0.268 223 L C -1.832 174.836 176.870 -0.337 0.000 0.974 223 L CA -0.617 54.122 54.840 -0.169 0.000 0.826 223 L CB 1.840 43.760 42.059 -0.232 0.000 1.291 223 L HN -0.337 nan 8.230 nan 0.000 0.406 224 F N 4.516 124.384 119.950 -0.136 0.000 2.444 224 F HA 0.612 5.144 4.527 0.009 0.000 0.342 224 F C -0.086 175.608 175.800 -0.177 0.000 1.121 224 F CA -0.866 57.059 58.000 -0.125 0.000 0.997 224 F CB 1.943 40.892 39.000 -0.085 0.000 1.130 224 F HN 0.064 nan 8.300 nan 0.000 0.454 225 V N 2.647 122.534 119.914 -0.045 0.000 2.328 225 V HA 0.196 4.321 4.120 0.009 0.000 0.278 225 V C -0.480 175.573 176.094 -0.067 0.000 1.021 225 V CA -0.719 61.516 62.300 -0.108 0.000 0.838 225 V CB 1.257 32.992 31.823 -0.145 0.000 0.999 225 V HN 0.583 nan 8.190 nan 0.000 0.447 226 D N 4.030 124.397 120.400 -0.056 0.000 2.365 226 D HA 0.212 4.857 4.640 0.009 0.000 0.237 226 D C 0.012 176.270 176.300 -0.070 0.000 1.190 226 D CA -0.156 53.816 54.000 -0.047 0.000 0.867 226 D CB 1.003 41.787 40.800 -0.026 0.000 1.050 226 D HN 0.567 nan 8.370 nan 0.000 0.491 227 C N 3.012 122.256 119.300 -0.093 0.000 2.660 227 C HA 0.136 4.601 4.460 0.009 0.000 0.265 227 C C 1.752 176.676 174.990 -0.110 0.000 1.573 227 C CA -0.307 58.645 59.018 -0.111 0.000 1.751 227 C CB -1.366 26.285 27.740 -0.149 0.000 3.033 227 C HN 0.673 nan 8.230 nan 0.000 0.511 228 S N 0.108 115.756 115.700 -0.087 0.000 2.603 228 S HA 0.413 4.888 4.470 0.009 0.000 0.220 228 S C 1.113 175.662 174.600 -0.085 0.000 0.967 228 S CA 0.706 58.862 58.200 -0.073 0.000 0.920 228 S CB -0.160 63.011 63.200 -0.049 0.000 0.773 228 S HN 1.185 nan 8.310 nan 0.000 0.529 229 G N 1.180 109.900 108.800 -0.134 0.000 2.632 229 G HA2 -0.245 3.720 3.960 0.009 0.000 0.224 229 G HA3 -0.245 3.720 3.960 0.009 0.000 0.224 229 G C 0.060 174.838 174.900 -0.203 0.000 1.341 229 G CA -0.180 44.777 45.100 -0.239 0.000 0.880 229 G HN 0.258 nan 8.290 nan 0.000 0.566 230 F N 0.851 120.748 119.950 -0.087 0.000 2.225 230 F HA -0.104 4.429 4.527 0.009 0.000 0.302 230 F C 2.925 178.640 175.800 -0.142 0.000 1.068 230 F CA 2.156 60.069 58.000 -0.146 0.000 1.327 230 F CB -0.348 38.551 39.000 -0.168 0.000 1.043 230 F HN 0.401 nan 8.300 nan 0.000 0.506 231 R N -0.097 120.441 120.500 0.064 0.000 2.148 231 R HA 0.023 4.368 4.340 0.009 0.000 0.227 231 R C 1.594 177.891 176.300 -0.005 0.000 1.103 231 R CA 0.718 56.828 56.100 0.017 0.000 0.983 231 R CB -0.801 29.505 30.300 0.011 0.000 0.874 231 R HN 0.306 nan 8.270 nan 0.000 0.451 232 G N 1.814 110.607 108.800 -0.012 0.000 2.393 232 G HA2 -0.268 3.697 3.960 0.009 0.000 0.299 232 G HA3 -0.268 3.697 3.960 0.009 0.000 0.299 232 G C 0.560 175.454 174.900 -0.011 0.000 0.990 232 G CA 0.422 45.518 45.100 -0.007 0.000 1.118 232 G HN 0.313 nan 8.290 nan 0.000 0.513 233 L N -0.812 120.399 121.223 -0.020 0.000 2.051 233 L HA -0.094 4.251 4.340 0.009 0.000 0.214 233 L C 2.590 179.437 176.870 -0.038 0.000 1.076 233 L CA 2.685 57.509 54.840 -0.026 0.000 0.758 233 L CB -0.149 41.894 42.059 -0.027 0.000 0.890 233 L HN 0.532 nan 8.230 nan 0.000 0.433 234 L N -2.412 118.788 121.223 -0.037 0.000 2.265 234 L HA 0.014 4.359 4.340 0.009 0.000 0.195 234 L C 2.326 179.176 176.870 -0.033 0.000 1.083 234 L CA 0.392 55.200 54.840 -0.055 0.000 0.798 234 L CB -0.574 41.453 42.059 -0.053 0.000 0.989 234 L HN 0.159 nan 8.230 nan 0.000 0.472 235 I N 0.988 121.555 120.570 -0.005 0.000 2.179 235 I HA -0.280 3.896 4.170 0.009 0.000 0.242 235 I C 1.840 177.975 176.117 0.031 0.000 1.088 235 I CA 1.999 63.313 61.300 0.023 0.000 1.357 235 I CB -0.318 37.711 38.000 0.049 0.000 1.051 235 I HN 0.271 nan 8.210 nan 0.000 0.409 236 N N -0.646 118.073 118.700 0.030 0.000 2.349 236 N HA -0.069 4.676 4.740 0.009 0.000 0.180 236 N C 1.783 177.301 175.510 0.014 0.000 1.024 236 N CA 0.672 53.745 53.050 0.039 0.000 0.869 236 N CB -0.185 38.332 38.487 0.050 0.000 1.022 236 N HN 0.212 nan 8.380 nan 0.000 0.433 237 K N 1.034 121.432 120.400 -0.004 0.000 1.991 237 K HA 0.065 4.390 4.320 0.009 0.000 0.207 237 K C 2.017 178.598 176.600 -0.033 0.000 1.045 237 K CA 1.161 57.438 56.287 -0.016 0.000 0.937 237 K CB -0.106 32.381 32.500 -0.022 0.000 0.720 237 K HN 0.125 nan 8.250 nan 0.000 0.438 238 A N 0.944 123.732 122.820 -0.054 0.000 1.854 238 A HA -0.078 4.247 4.320 0.009 0.000 0.214 238 A C 2.028 179.572 177.584 -0.066 0.000 1.192 238 A CA 1.260 53.247 52.037 -0.083 0.000 0.611 238 A CB -0.307 18.616 19.000 -0.128 0.000 0.832 238 A HN 0.299 nan 8.150 nan 0.000 0.442 239 M N -0.764 118.806 119.600 -0.049 0.000 2.562 239 M HA 0.033 4.518 4.480 0.009 0.000 0.257 239 M C 0.114 176.409 176.300 -0.010 0.000 1.099 239 M CA 0.760 56.042 55.300 -0.030 0.000 1.099 239 M CB -1.248 31.345 32.600 -0.012 0.000 1.427 239 M HN 0.582 nan 8.290 nan 0.000 0.489 240 E N 0.357 120.555 120.200 -0.004 0.000 2.722 240 E HA -0.215 4.140 4.350 0.009 0.000 0.265 240 E C -0.017 176.596 176.600 0.022 0.000 1.081 240 E CA 0.486 56.891 56.400 0.008 0.000 0.781 240 E CB -1.531 28.170 29.700 0.001 0.000 1.372 240 E HN 0.396 nan 8.360 nan 0.000 0.423 241 E N 1.375 121.595 120.200 0.033 0.000 2.290 241 E HA 0.173 4.528 4.350 0.009 0.000 0.277 241 E C -2.492 174.148 176.600 0.066 0.000 1.035 241 E CA -2.292 54.135 56.400 0.044 0.000 0.873 241 E CB 0.713 30.445 29.700 0.054 0.000 1.029 241 E HN -0.108 nan 8.360 nan 0.000 0.419 242 P HA 0.091 nan 4.420 nan 0.000 0.271 242 P C -1.078 176.290 177.300 0.114 0.000 1.216 242 P CA -0.141 63.008 63.100 0.080 0.000 0.776 242 P CB 0.273 32.000 31.700 0.045 0.000 0.881 243 F N 3.662 123.621 119.950 0.015 0.000 2.394 243 F HA 0.381 4.913 4.527 0.008 0.000 0.340 243 F C -0.589 175.223 175.800 0.021 0.000 1.105 243 F CA -0.620 57.389 58.000 0.015 0.000 1.124 243 F CB 0.541 39.558 39.000 0.028 0.000 1.145 243 F HN 0.076 nan 8.300 nan 0.000 0.505 244 L N 6.444 127.236 121.223 -0.718 0.000 2.259 244 L HA 0.223 4.568 4.340 0.009 0.000 0.288 244 L C -0.023 176.537 176.870 -0.517 0.000 1.051 244 L CA -0.630 53.951 54.840 -0.433 0.000 0.824 244 L CB 0.570 42.458 42.059 -0.284 0.000 1.206 244 L HN 0.609 nan 8.230 nan 0.000 0.429 245 D N 4.955 125.295 120.400 -0.099 0.000 2.389 245 D HA 0.113 4.759 4.640 0.009 0.000 0.247 245 D C -0.055 176.306 176.300 0.102 0.000 1.128 245 D CA 0.021 54.095 54.000 0.123 0.000 0.884 245 D CB 1.181 42.108 40.800 0.211 0.000 1.194 245 D HN 0.504 nan 8.370 nan 0.000 0.441 246 M N 2.869 122.584 119.600 0.192 0.000 3.004 246 M HA 0.011 4.496 4.480 0.009 0.000 0.365 246 M C 1.205 177.646 176.300 0.235 0.000 1.317 246 M CA -0.431 55.009 55.300 0.234 0.000 0.821 246 M CB 0.815 33.612 32.600 0.328 0.000 1.387 246 M HN 0.301 nan 8.290 nan 0.000 0.501 247 S N -0.757 115.050 115.700 0.178 0.000 2.603 247 S HA -0.092 4.383 4.470 0.009 0.000 0.229 247 S C 1.106 175.752 174.600 0.075 0.000 0.972 247 S CA 0.798 59.086 58.200 0.147 0.000 0.935 247 S CB -0.434 62.842 63.200 0.126 0.000 0.769 247 S HN 0.600 nan 8.310 nan 0.000 0.536 248 D N 0.169 120.577 120.400 0.013 0.000 2.349 248 D HA -0.076 4.569 4.640 0.009 0.000 0.215 248 D C 1.186 177.337 176.300 -0.249 0.000 1.016 248 D CA 0.548 54.475 54.000 -0.121 0.000 0.870 248 D CB -0.458 40.230 40.800 -0.188 0.000 0.917 248 D HN 0.523 nan 8.370 nan 0.000 0.524 249 H N -0.378 118.739 119.070 0.077 0.000 2.927 249 H HA 0.396 4.957 4.556 0.009 0.000 0.255 249 H C 0.175 175.551 175.328 0.080 0.000 0.974 249 H CA 0.052 56.142 56.048 0.070 0.000 1.199 249 H CB 1.759 31.568 29.762 0.078 0.000 1.447 249 H HN 0.048 nan 8.280 nan 0.000 0.467 250 L N 1.603 122.945 121.223 0.198 0.000 2.439 250 L HA 0.228 4.573 4.340 0.009 0.000 0.270 250 L C 0.754 177.685 176.870 0.101 0.000 0.972 250 L CA -0.220 54.705 54.840 0.141 0.000 0.836 250 L CB 2.970 45.164 42.059 0.226 0.000 1.255 250 L HN -0.054 nan 8.230 nan 0.000 0.404 251 L N 1.280 122.503 121.223 0.000 0.000 2.240 251 L HA 0.049 4.395 4.340 0.009 0.000 0.211 251 L C 0.734 177.674 176.870 0.116 0.000 1.106 251 L CA 0.608 55.488 54.840 0.067 0.000 0.793 251 L CB -0.275 41.792 42.059 0.012 0.000 0.927 251 L HN 0.654 nan 8.230 nan 0.000 0.446 252 N N 1.235 119.998 118.700 0.106 0.000 2.497 252 N HA 0.010 4.755 4.740 0.009 0.000 0.268 252 N C -0.157 175.465 175.510 0.186 0.000 1.171 252 N CA 0.112 53.236 53.050 0.123 0.000 0.948 252 N CB 0.641 39.275 38.487 0.246 0.000 1.069 252 N HN 0.199 nan 8.380 nan 0.000 0.460 253 D N -1.057 119.234 120.400 -0.182 0.000 2.497 253 D HA 0.103 4.748 4.640 0.009 0.000 0.256 253 D C -0.651 174.771 176.300 -1.464 0.000 1.273 253 D CA -0.059 53.634 54.000 -0.513 0.000 0.812 253 D CB 0.263 40.897 40.800 -0.277 0.000 1.190 253 D HN 0.211 nan 8.370 nan 0.000 0.524 254 S N -0.650 114.218 115.700 -1.387 0.000 2.638 254 S HA 0.943 5.419 4.470 0.009 0.000 0.274 254 S C -1.293 172.768 174.600 -0.897 0.000 1.157 254 S CA -0.519 56.870 58.200 -1.351 0.000 0.826 254 S CB 2.044 64.424 63.200 -1.367 0.000 1.139 254 S HN 0.532 nan 8.310 nan 0.000 0.474 255 A N 0.708 123.253 122.820 -0.458 0.000 2.589 255 A HA 0.731 5.056 4.320 0.009 0.000 0.296 255 A C -1.378 176.171 177.584 -0.058 0.000 1.062 255 A CA -0.764 51.208 52.037 -0.108 0.000 0.686 255 A CB 1.120 20.236 19.000 0.193 0.000 1.282 255 A HN 1.509 nan 8.150 nan 0.000 0.404 256 V N -0.828 118.969 119.914 -0.195 0.000 2.407 256 V HA 0.942 5.067 4.120 0.009 0.000 0.291 256 V C 0.001 175.713 176.094 -0.638 0.000 1.018 256 V CA -0.024 62.100 62.300 -0.293 0.000 0.842 256 V CB 0.519 32.171 31.823 -0.285 0.000 0.996 256 V HN 2.131 nan 8.190 nan 0.000 0.426 257 A N 3.382 126.025 122.820 -0.295 0.000 2.469 257 A HA 1.011 5.336 4.320 0.009 0.000 0.299 257 A C -0.280 177.350 177.584 0.076 0.000 1.098 257 A CA -0.338 51.563 52.037 -0.227 0.000 0.737 257 A CB 2.382 21.372 19.000 -0.017 0.000 1.312 257 A HN 1.301 nan 8.150 nan 0.000 0.414 258 T N -0.760 113.897 114.554 0.171 0.000 2.711 258 T HA 0.491 4.846 4.350 0.009 0.000 0.302 258 T C -1.801 172.930 174.700 0.052 0.000 1.373 258 T CA -0.375 61.811 62.100 0.143 0.000 1.000 258 T CB 1.519 70.488 68.868 0.168 0.000 1.483 258 T HN 0.790 nan 8.240 nan 0.000 0.499 259 Q N 1.571 121.352 119.800 -0.031 0.000 2.333 259 Q HA 0.703 5.048 4.340 0.009 0.000 0.267 259 Q C -1.682 174.137 176.000 -0.301 0.000 1.012 259 Q CA -0.694 55.026 55.803 -0.137 0.000 0.824 259 Q CB 1.814 30.526 28.738 -0.043 0.000 1.290 259 Q HN 0.524 nan 8.270 nan 0.000 0.449 260 V N 5.324 124.866 119.914 -0.621 0.000 2.487 260 V HA 0.414 4.539 4.120 0.009 0.000 0.298 260 V C -2.327 173.427 176.094 -0.566 0.000 1.028 260 V CA -2.008 59.858 62.300 -0.724 0.000 0.860 260 V CB 1.539 32.607 31.823 -1.257 0.000 0.991 260 V HN 0.792 nan 8.190 nan 0.000 0.427 261 P HA 0.139 nan 4.420 nan 0.000 0.268 261 P C -0.752 176.549 177.300 0.001 0.000 1.205 261 P CA 0.301 63.338 63.100 -0.105 0.000 0.771 261 P CB 0.249 31.909 31.700 -0.067 0.000 0.858 262 H N 1.950 121.000 119.070 -0.034 0.000 2.759 262 H HA 0.193 4.754 4.556 0.009 0.000 0.354 262 H C -1.200 174.135 175.328 0.012 0.000 1.074 262 H CA -0.582 55.496 56.048 0.049 0.000 1.226 262 H CB 1.613 31.474 29.762 0.164 0.000 1.648 262 H HN 0.254 nan 8.280 nan 0.000 0.529 263 D N 3.673 123.785 120.400 -0.480 0.000 2.453 263 D HA 0.057 4.702 4.640 0.009 0.000 0.223 263 D C 0.342 176.398 176.300 -0.406 0.000 1.183 263 D CA -0.087 53.720 54.000 -0.322 0.000 0.933 263 D CB 0.483 41.142 40.800 -0.236 0.000 1.038 263 D HN 0.493 nan 8.370 nan 0.000 0.513 264 D N 2.191 122.480 120.400 -0.185 0.000 2.144 264 D HA -0.142 4.503 4.640 0.009 0.000 0.200 264 D C 1.159 177.190 176.300 -0.449 0.000 0.978 264 D CA 0.730 54.580 54.000 -0.250 0.000 0.833 264 D CB 0.262 40.864 40.800 -0.330 0.000 0.961 264 D HN 0.511 nan 8.370 nan 0.000 0.470 265 D N 0.496 120.747 120.400 -0.249 0.000 2.149 265 D HA -0.114 4.531 4.640 0.009 0.000 0.198 265 D C 1.831 178.109 176.300 -0.036 0.000 0.990 265 D CA 1.226 55.197 54.000 -0.049 0.000 0.839 265 D CB 0.037 40.862 40.800 0.042 0.000 0.948 265 D HN 0.189 nan 8.370 nan 0.000 0.460 266 A N 0.264 123.036 122.820 -0.081 0.000 2.095 266 A HA 0.006 4.332 4.320 0.009 0.000 0.212 266 A C 1.601 179.157 177.584 -0.047 0.000 1.162 266 A CA 0.461 52.467 52.037 -0.052 0.000 0.753 266 A CB 0.224 19.186 19.000 -0.064 0.000 0.840 266 A HN 0.089 nan 8.150 nan 0.000 0.468 267 N N -0.806 117.846 118.700 -0.081 0.000 2.159 267 N HA 0.256 5.001 4.740 0.009 0.000 0.217 267 N C 0.876 176.420 175.510 0.056 0.000 1.223 267 N CA 0.806 53.854 53.050 -0.003 0.000 0.896 267 N CB 0.988 39.471 38.487 -0.007 0.000 1.064 267 N HN 0.518 nan 8.380 nan 0.000 0.518 268 G N 0.992 109.785 108.800 -0.011 0.000 2.804 268 G HA2 -0.235 3.730 3.960 0.009 0.000 0.230 268 G HA3 -0.235 3.730 3.960 0.009 0.000 0.230 268 G C -0.743 174.187 174.900 0.049 0.000 1.386 268 G CA -0.370 44.732 45.100 0.003 0.000 0.875 268 G HN 0.050 nan 8.290 nan 0.000 0.557 269 V N 0.526 120.464 119.914 0.040 0.000 2.487 269 V HA 0.447 4.573 4.120 0.009 0.000 0.298 269 V C 0.316 176.354 176.094 -0.092 0.000 1.028 269 V CA -0.670 61.619 62.300 -0.019 0.000 0.860 269 V CB 1.648 33.502 31.823 0.052 0.000 0.991 269 V HN 0.756 nan 8.190 nan 0.000 0.427 270 E N 6.724 126.765 120.200 -0.264 0.000 2.299 270 E HA 0.144 4.499 4.350 0.009 0.000 0.272 270 E C -1.995 174.319 176.600 -0.477 0.000 1.043 270 E CA -1.430 54.631 56.400 -0.566 0.000 0.895 270 E CB 0.968 30.020 29.700 -1.080 0.000 1.011 270 E HN 0.480 nan 8.360 nan 0.000 0.432 271 P HA 0.044 nan 4.420 nan 0.000 0.235 271 P C -1.210 176.138 177.300 0.080 0.000 1.725 271 P CA 0.102 63.169 63.100 -0.056 0.000 0.894 271 P CB -0.637 31.067 31.700 0.005 0.000 1.704 272 F N -4.086 115.945 119.950 0.135 0.000 2.719 272 F HA 0.534 5.065 4.527 0.008 0.000 0.309 272 F C -0.950 175.020 175.800 0.282 0.000 1.138 272 F CA -1.246 56.846 58.000 0.154 0.000 0.943 272 F CB 0.239 39.299 39.000 0.099 0.000 1.304 272 F HN -0.447 nan 8.300 nan 0.000 0.445 273 T N 1.469 116.334 114.554 0.519 0.000 2.882 273 T HA 0.585 4.941 4.350 0.009 0.000 0.287 273 T C -0.484 174.409 174.700 0.323 0.000 0.992 273 T CA -0.445 61.860 62.100 0.340 0.000 1.076 273 T CB 1.237 70.279 68.868 0.291 0.000 0.961 273 T HN 0.660 nan 8.240 nan 0.000 0.490 274 S N 1.754 117.625 115.700 0.284 0.000 2.472 274 S HA 0.677 5.152 4.470 0.009 0.000 0.303 274 S C -0.312 174.443 174.600 0.258 0.000 1.099 274 S CA -0.819 57.519 58.200 0.230 0.000 1.077 274 S CB 1.464 64.835 63.200 0.284 0.000 1.031 274 S HN 0.846 nan 8.310 nan 0.000 0.487 275 A N 3.608 126.484 122.820 0.092 0.000 2.399 275 A HA 0.601 4.926 4.320 0.009 0.000 0.327 275 A C -0.404 177.537 177.584 0.596 0.000 1.367 275 A CA -0.558 51.696 52.037 0.363 0.000 0.842 275 A CB -0.153 18.653 19.000 -0.323 0.000 1.142 275 A HN 0.830 nan 8.150 nan 0.000 0.495 276 I N 2.859 123.787 120.570 0.597 0.000 2.301 276 I HA 0.333 4.508 4.170 0.009 0.000 0.292 276 I C 1.013 177.300 176.117 0.283 0.000 1.046 276 I CA -0.214 61.310 61.300 0.373 0.000 1.282 276 I CB 1.446 39.550 38.000 0.173 0.000 1.409 276 I HN 0.683 nan 8.210 nan 0.000 0.484 277 A N 8.544 131.354 122.820 -0.016 0.000 2.511 277 A HA 0.427 4.752 4.320 0.009 0.000 0.242 277 A C 0.229 177.801 177.584 -0.019 0.000 1.069 277 A CA 0.221 52.075 52.037 -0.305 0.000 0.763 277 A CB 0.253 18.767 19.000 -0.811 0.000 1.001 277 A HN 0.682 nan 8.150 nan 0.000 0.498 278 M N 1.224 120.906 119.600 0.137 0.000 2.826 278 M HA 0.358 4.843 4.480 0.009 0.000 0.288 278 M C 0.879 177.340 176.300 0.270 0.000 1.141 278 M CA -0.540 54.777 55.300 0.028 0.000 0.816 278 M CB 0.753 33.197 32.600 -0.259 0.000 1.704 278 M HN 0.749 nan 8.290 nan 0.000 0.497 279 K N 0.017 120.507 120.400 0.151 0.000 2.167 279 K HA 0.070 4.395 4.320 0.009 0.000 0.203 279 K C 0.618 177.269 176.600 0.084 0.000 1.052 279 K CA 0.961 57.391 56.287 0.240 0.000 0.956 279 K CB 0.185 32.764 32.500 0.132 0.000 0.735 279 K HN 0.416 nan 8.250 nan 0.000 0.451 280 S N 0.006 115.615 115.700 -0.152 0.000 2.835 280 S HA 0.388 4.863 4.470 0.009 0.000 0.248 280 S C -0.122 173.716 174.600 -1.270 0.000 1.070 280 S CA -0.222 57.530 58.200 -0.748 0.000 1.090 280 S CB 1.439 64.506 63.200 -0.222 0.000 0.978 280 S HN 0.517 nan 8.310 nan 0.000 0.510 281 G N 1.492 109.645 108.800 -1.079 0.000 2.439 281 G HA2 0.273 4.238 3.960 0.009 0.000 0.186 281 G HA3 0.273 4.238 3.960 0.009 0.000 0.186 281 G C -2.108 172.985 174.900 0.323 0.000 1.260 281 G CA -0.244 44.614 45.100 -0.403 0.000 1.020 281 G HN 0.447 nan 8.290 nan 0.000 0.470 282 W N -0.675 120.835 121.300 0.349 0.000 3.074 282 W HA 0.765 5.430 4.660 0.009 0.000 0.332 282 W C -1.526 175.231 176.519 0.397 0.000 1.253 282 W CA -0.733 56.802 57.345 0.316 0.000 1.180 282 W CB 0.748 30.485 29.460 0.462 0.000 1.445 282 W HN 0.777 nan 8.180 nan 0.000 0.573 283 T N 2.305 117.054 114.554 0.325 0.000 2.824 283 T HA 0.414 4.769 4.350 0.009 0.000 0.282 283 T C -0.934 174.006 174.700 0.400 0.000 0.993 283 T CA -0.193 61.975 62.100 0.114 0.000 0.967 283 T CB 1.287 70.224 68.868 0.114 0.000 0.960 283 T HN 0.420 nan 8.240 nan 0.000 0.441 284 W N 2.610 124.024 121.300 0.190 0.000 2.448 284 W HA 0.782 5.447 4.660 0.009 0.000 0.339 284 W C -0.564 176.164 176.519 0.349 0.000 1.124 284 W CA -1.283 56.290 57.345 0.381 0.000 1.262 284 W CB 0.601 30.242 29.460 0.302 0.000 1.251 284 W HN 0.503 nan 8.180 nan 0.000 0.597 285 K N 4.204 124.965 120.400 0.601 0.000 2.613 285 K HA 0.446 4.771 4.320 0.009 0.000 0.248 285 K C -1.685 175.052 176.600 0.229 0.000 0.959 285 K CA -0.591 55.911 56.287 0.358 0.000 0.855 285 K CB 0.849 33.447 32.500 0.164 0.000 1.143 285 K HN 0.775 nan 8.250 nan 0.000 0.437 286 I N 6.493 127.190 120.570 0.213 0.000 2.460 286 I HA 0.265 4.440 4.170 0.009 0.000 0.277 286 I C -2.331 173.684 176.117 -0.169 0.000 1.057 286 I CA -2.452 58.730 61.300 -0.198 0.000 1.179 286 I CB 1.600 39.504 38.000 -0.159 0.000 1.329 286 I HN 0.333 nan 8.210 nan 0.000 0.478 287 P HA 0.212 nan 4.420 nan 0.000 0.267 287 P C -0.425 176.909 177.300 0.057 0.000 1.205 287 P CA 0.422 63.482 63.100 -0.068 0.000 0.765 287 P CB 0.718 32.331 31.700 -0.146 0.000 0.828 288 M N 1.713 121.358 119.600 0.075 0.000 2.828 288 M HA 0.374 4.859 4.480 0.009 0.000 0.284 288 M C -0.762 175.585 176.300 0.078 0.000 1.166 288 M CA -1.093 54.275 55.300 0.113 0.000 0.770 288 M CB 0.474 33.142 32.600 0.114 0.000 1.741 288 M HN -0.078 nan 8.290 nan 0.000 0.443 289 L N 1.839 123.092 121.223 0.050 0.000 2.325 289 L HA 0.354 4.700 4.340 0.009 0.000 0.284 289 L C 1.001 177.896 176.870 0.042 0.000 1.089 289 L CA 0.800 55.654 54.840 0.024 0.000 0.836 289 L CB -0.337 41.673 42.059 -0.081 0.000 1.184 289 L HN 0.958 nan 8.230 nan 0.000 0.444 290 G N 2.093 110.942 108.800 0.082 0.000 2.162 290 G HA2 -0.251 3.714 3.960 0.009 0.000 0.260 290 G HA3 -0.251 3.714 3.960 0.009 0.000 0.260 290 G C 0.334 175.294 174.900 0.101 0.000 0.976 290 G CA 0.543 45.697 45.100 0.091 0.000 0.655 290 G HN 0.772 nan 8.290 nan 0.000 0.533 291 R N -1.246 119.312 120.500 0.097 0.000 2.780 291 R HA 0.649 4.994 4.340 0.009 0.000 0.280 291 R C -1.583 174.745 176.300 0.046 0.000 1.016 291 R CA -0.378 55.739 56.100 0.029 0.000 0.854 291 R CB 0.225 30.489 30.300 -0.059 0.000 1.293 291 R HN 1.029 nan 8.270 nan 0.000 0.483 292 F N -1.252 118.633 119.950 -0.108 0.000 2.581 292 F HA 0.773 5.305 4.527 0.009 0.000 0.311 292 F C -0.239 175.504 175.800 -0.095 0.000 1.113 292 F CA -0.779 57.132 58.000 -0.147 0.000 0.935 292 F CB 1.881 40.720 39.000 -0.268 0.000 1.232 292 F HN 0.713 nan 8.300 nan 0.000 0.445 293 G N 0.690 109.598 108.800 0.180 0.000 2.444 293 G HA2 0.502 4.467 3.960 0.009 0.000 0.268 293 G HA3 0.502 4.467 3.960 0.009 0.000 0.268 293 G C -1.128 174.018 174.900 0.410 0.000 1.203 293 G CA -0.387 44.862 45.100 0.248 0.000 0.835 293 G HN 0.981 nan 8.290 nan 0.000 0.543 294 T N -0.719 113.962 114.554 0.213 0.000 2.932 294 T HA 0.718 5.073 4.350 0.009 0.000 0.318 294 T C -0.412 173.913 174.700 -0.625 0.000 1.265 294 T CA 0.141 62.157 62.100 -0.139 0.000 1.036 294 T CB 1.592 70.475 68.868 0.025 0.000 1.209 294 T HN 1.419 nan 8.240 nan 0.000 0.484 295 G N 2.238 110.047 108.800 -1.650 0.000 2.766 295 G HA2 0.486 4.452 3.960 0.009 0.000 0.297 295 G HA3 0.486 4.452 3.960 0.009 0.000 0.297 295 G C -2.208 171.992 174.900 -1.166 0.000 1.431 295 G CA -0.561 43.458 45.100 -1.801 0.000 1.042 295 G HN 0.631 nan 8.290 nan 0.000 0.542 296 Y N 3.291 122.953 120.300 -1.063 0.000 2.425 296 Y HA 0.541 5.096 4.550 0.009 0.000 0.347 296 Y C -0.263 175.436 175.900 -0.335 0.000 0.976 296 Y CA -1.427 56.343 58.100 -0.551 0.000 1.190 296 Y CB 1.057 39.265 38.460 -0.420 0.000 1.136 296 Y HN 0.287 nan 8.280 nan 0.000 0.517 297 V N 9.715 129.532 119.914 -0.162 0.000 2.406 297 V HA 0.238 4.363 4.120 0.009 0.000 0.272 297 V C -0.559 175.409 176.094 -0.210 0.000 1.043 297 V CA -0.249 61.942 62.300 -0.181 0.000 0.915 297 V CB -0.388 31.275 31.823 -0.267 0.000 0.988 297 V HN 0.685 nan 8.190 nan 0.000 0.466 298 Y N 2.144 122.154 120.300 -0.483 0.000 2.677 298 Y HA 0.761 5.316 4.550 0.009 0.000 0.334 298 Y C -0.246 175.450 175.900 -0.339 0.000 1.154 298 Y CA -1.561 56.193 58.100 -0.577 0.000 1.070 298 Y CB 1.681 39.547 38.460 -0.990 0.000 1.294 298 Y HN 0.337 nan 8.280 nan 0.000 0.475 299 S N 0.744 116.337 115.700 -0.179 0.000 2.422 299 S HA 0.272 4.747 4.470 0.009 0.000 0.308 299 S C 0.849 175.490 174.600 0.068 0.000 1.097 299 S CA -0.059 58.123 58.200 -0.030 0.000 1.099 299 S CB 0.261 63.637 63.200 0.292 0.000 0.976 299 S HN 0.985 nan 8.310 nan 0.000 0.471 300 S N 5.119 120.748 115.700 -0.119 0.000 2.465 300 S HA -0.072 4.403 4.470 0.009 0.000 0.241 300 S C 1.472 176.071 174.600 -0.001 0.000 1.000 300 S CA 0.587 58.769 58.200 -0.030 0.000 0.964 300 S CB -0.259 62.856 63.200 -0.142 0.000 0.763 300 S HN 0.803 nan 8.310 nan 0.000 0.512 301 R N -0.744 119.757 120.500 0.001 0.000 2.299 301 R HA 0.267 4.612 4.340 0.009 0.000 0.197 301 R C 0.338 176.369 176.300 -0.449 0.000 0.971 301 R CA 0.609 56.590 56.100 -0.198 0.000 1.030 301 R CB -0.065 30.089 30.300 -0.243 0.000 0.932 301 R HN 0.530 nan 8.270 nan 0.000 0.477 302 F N -1.236 118.736 119.950 0.037 0.000 2.817 302 F HA 0.407 4.939 4.527 0.009 0.000 0.333 302 F C 0.272 176.080 175.800 0.013 0.000 1.085 302 F CA -0.431 57.596 58.000 0.046 0.000 1.170 302 F CB 1.113 40.177 39.000 0.106 0.000 1.066 302 F HN -0.191 nan 8.300 nan 0.000 0.564 303 A N 0.230 123.133 122.820 0.138 0.000 2.517 303 A HA 0.581 4.906 4.320 0.009 0.000 0.297 303 A C -0.107 177.471 177.584 -0.009 0.000 1.050 303 A CA -0.489 51.558 52.037 0.016 0.000 0.694 303 A CB 0.387 19.327 19.000 -0.101 0.000 1.277 303 A HN 0.051 nan 8.150 nan 0.000 0.400 304 T N -1.103 113.416 114.554 -0.058 0.000 2.849 304 T HA 0.333 4.688 4.350 0.009 0.000 0.284 304 T C 0.973 175.601 174.700 -0.120 0.000 1.004 304 T CA 0.463 62.535 62.100 -0.046 0.000 1.021 304 T CB 1.081 69.923 68.868 -0.044 0.000 1.013 304 T HN 0.780 nan 8.240 nan 0.000 0.527 305 E N 0.380 120.549 120.200 -0.052 0.000 2.085 305 E HA -0.236 4.119 4.350 0.009 0.000 0.194 305 E C 1.291 177.813 176.600 -0.129 0.000 0.994 305 E CA 1.642 57.998 56.400 -0.074 0.000 0.801 305 E CB -0.130 29.571 29.700 0.001 0.000 0.743 305 E HN 0.695 nan 8.360 nan 0.000 0.453 306 D N 0.437 120.789 120.400 -0.080 0.000 2.144 306 D HA -0.151 4.494 4.640 0.009 0.000 0.199 306 D C 1.770 178.025 176.300 -0.074 0.000 0.984 306 D CA 1.051 55.016 54.000 -0.058 0.000 0.834 306 D CB -0.123 40.657 40.800 -0.034 0.000 0.955 306 D HN 0.400 nan 8.370 nan 0.000 0.465 307 E N 0.916 121.054 120.200 -0.103 0.000 2.072 307 E HA -0.105 4.250 4.350 0.009 0.000 0.191 307 E C 2.143 178.671 176.600 -0.121 0.000 0.985 307 E CA 0.896 57.240 56.400 -0.093 0.000 0.801 307 E CB -0.017 29.629 29.700 -0.089 0.000 0.750 307 E HN 0.169 nan 8.360 nan 0.000 0.452 308 A N 1.113 123.748 122.820 -0.308 0.000 1.898 308 A HA -0.127 4.198 4.320 0.009 0.000 0.216 308 A C 2.534 180.090 177.584 -0.047 0.000 1.181 308 A CA 1.058 52.855 52.037 -0.400 0.000 0.620 308 A CB -0.687 17.470 19.000 -1.404 0.000 0.819 308 A HN 0.106 nan 8.150 nan 0.000 0.442 309 V N 0.012 119.888 119.914 -0.064 0.000 2.287 309 V HA -0.298 3.827 4.120 0.009 0.000 0.248 309 V C 2.678 178.840 176.094 0.113 0.000 1.053 309 V CA 2.377 64.722 62.300 0.075 0.000 1.027 309 V CB -0.806 31.039 31.823 0.036 0.000 0.646 309 V HN 0.523 nan 8.190 nan 0.000 0.447 310 R N -0.274 120.250 120.500 0.039 0.000 2.070 310 R HA -0.185 4.160 4.340 0.009 0.000 0.232 310 R C 2.388 178.695 176.300 0.012 0.000 1.138 310 R CA 1.991 58.102 56.100 0.020 0.000 0.936 310 R CB -0.403 29.894 30.300 -0.005 0.000 0.839 310 R HN 0.611 nan 8.270 nan 0.000 0.429 311 E N -0.255 119.955 120.200 0.017 0.000 2.097 311 E HA -0.247 4.109 4.350 0.009 0.000 0.196 311 E C 1.760 178.318 176.600 -0.070 0.000 1.000 311 E CA 1.456 57.833 56.400 -0.038 0.000 0.804 311 E CB -0.223 29.469 29.700 -0.013 0.000 0.740 311 E HN 0.217 nan 8.360 nan 0.000 0.454 312 F N 1.028 120.913 119.950 -0.107 0.000 2.084 312 F HA -0.204 4.328 4.527 0.008 0.000 0.296 312 F C 2.245 178.013 175.800 -0.055 0.000 1.111 312 F CA 1.123 59.064 58.000 -0.098 0.000 1.224 312 F CB -0.636 38.411 39.000 0.079 0.000 0.991 312 F HN 0.022 nan 8.300 nan 0.000 0.471 313 C N 0.713 119.970 119.300 -0.072 0.000 2.425 313 C HA -0.163 4.302 4.460 0.009 0.000 0.277 313 C C 2.617 177.495 174.990 -0.185 0.000 1.280 313 C CA 1.296 60.221 59.018 -0.155 0.000 1.744 313 C CB -1.292 26.440 27.740 -0.013 0.000 1.989 313 C HN 0.522 nan 8.230 nan 0.000 0.491 314 E N 0.806 120.904 120.200 -0.170 0.000 2.265 314 E HA -0.220 4.135 4.350 0.009 0.000 0.196 314 E C 2.088 178.448 176.600 -0.400 0.000 0.996 314 E CA 1.339 57.619 56.400 -0.201 0.000 0.832 314 E CB -0.184 29.438 29.700 -0.131 0.000 0.756 314 E HN 0.825 nan 8.360 nan 0.000 0.491 315 M N -2.070 117.217 119.600 -0.522 0.000 2.435 315 M HA 0.021 4.506 4.480 0.009 0.000 0.265 315 M C 1.051 176.796 176.300 -0.926 0.000 1.104 315 M CA 1.137 55.983 55.300 -0.756 0.000 1.140 315 M CB -0.038 32.051 32.600 -0.850 0.000 1.372 315 M HN 0.007 nan 8.290 nan 0.000 0.456 316 W N 0.487 121.493 121.300 -0.490 0.000 3.239 316 W HA 0.283 4.948 4.660 0.008 0.000 0.348 316 W C -0.117 176.269 176.519 -0.222 0.000 1.183 316 W CA -0.621 56.528 57.345 -0.327 0.000 1.819 316 W CB 0.165 29.438 29.460 -0.311 0.000 1.091 316 W HN 0.361 nan 8.180 nan 0.000 0.629 317 H N -0.119 118.985 119.070 0.056 0.000 2.692 317 H HA -0.160 4.401 4.556 0.009 0.000 0.316 317 H C -0.163 175.185 175.328 0.032 0.000 1.176 317 H CA 0.897 56.964 56.048 0.032 0.000 1.142 317 H CB -2.032 27.758 29.762 0.047 0.000 1.475 317 H HN 0.216 nan 8.280 nan 0.000 0.423 318 L N 0.277 121.534 121.223 0.057 0.000 2.332 318 L HA 0.375 4.720 4.340 0.009 0.000 0.269 318 L C 0.802 177.686 176.870 0.023 0.000 1.016 318 L CA -0.814 54.044 54.840 0.031 0.000 0.809 318 L CB 1.391 43.440 42.059 -0.017 0.000 1.280 318 L HN 0.036 nan 8.230 nan 0.000 0.447 319 D N 0.685 121.099 120.400 0.024 0.000 2.317 319 D HA 0.265 4.910 4.640 0.009 0.000 0.234 319 D C -1.893 174.423 176.300 0.027 0.000 1.112 319 D CA -1.806 52.209 54.000 0.024 0.000 0.840 319 D CB 1.775 42.588 40.800 0.022 0.000 1.078 319 D HN 0.097 nan 8.370 nan 0.000 0.486 320 P HA -0.170 nan 4.420 nan 0.000 0.216 320 P C 0.887 178.208 177.300 0.035 0.000 1.153 320 P CA 0.968 64.092 63.100 0.040 0.000 0.858 320 P CB 0.282 32.002 31.700 0.033 0.000 0.789 321 E N -1.226 118.989 120.200 0.025 0.000 2.204 321 E HA -0.095 4.260 4.350 0.009 0.000 0.194 321 E C 1.777 178.390 176.600 0.022 0.000 0.989 321 E CA 1.901 58.314 56.400 0.021 0.000 0.824 321 E CB -0.772 28.938 29.700 0.016 0.000 0.756 321 E HN 0.434 nan 8.360 nan 0.000 0.477 322 T N -3.018 111.549 114.554 0.022 0.000 2.955 322 T HA 0.065 4.420 4.350 0.009 0.000 0.251 322 T C 0.950 175.664 174.700 0.022 0.000 1.002 322 T CA -0.361 61.750 62.100 0.019 0.000 0.970 322 T CB 0.243 69.119 68.868 0.015 0.000 1.091 322 T HN -0.176 nan 8.240 nan 0.000 0.495 323 Q N 4.563 124.379 119.800 0.027 0.000 2.271 323 Q HA 0.266 4.611 4.340 0.009 0.000 0.273 323 Q C -2.483 173.544 176.000 0.044 0.000 1.051 323 Q CA -2.115 53.705 55.803 0.030 0.000 0.901 323 Q CB 0.530 29.289 28.738 0.035 0.000 1.174 323 Q HN 0.255 nan 8.270 nan 0.000 0.385 324 P HA 0.060 nan 4.420 nan 0.000 0.271 324 P C -1.102 176.241 177.300 0.073 0.000 1.226 324 P CA 0.330 63.458 63.100 0.047 0.000 0.765 324 P CB 0.487 32.208 31.700 0.035 0.000 0.835 325 L N 3.567 124.838 121.223 0.079 0.000 2.386 325 L HA 0.446 4.791 4.340 0.009 0.000 0.271 325 L C 0.216 177.132 176.870 0.078 0.000 0.993 325 L CA -0.814 54.085 54.840 0.098 0.000 0.819 325 L CB 2.038 44.163 42.059 0.110 0.000 1.294 325 L HN 0.217 nan 8.230 nan 0.000 0.414 326 N N 2.350 121.098 118.700 0.080 0.000 2.425 326 N HA 0.384 5.129 4.740 0.009 0.000 0.268 326 N C -0.912 174.627 175.510 0.048 0.000 0.991 326 N CA -0.489 52.608 53.050 0.079 0.000 0.931 326 N CB 1.679 40.239 38.487 0.121 0.000 1.130 326 N HN 0.439 nan 8.380 nan 0.000 0.493 327 R N 2.650 123.173 120.500 0.038 0.000 2.246 327 R HA 0.539 4.884 4.340 0.009 0.000 0.332 327 R C -0.186 176.117 176.300 0.004 0.000 0.974 327 R CA -0.379 55.728 56.100 0.012 0.000 0.837 327 R CB 1.157 31.462 30.300 0.009 0.000 1.145 327 R HN 0.456 nan 8.270 nan 0.000 0.467 328 I N 2.213 122.775 120.570 -0.013 0.000 2.530 328 I HA 0.475 4.650 4.170 0.009 0.000 0.297 328 I C -0.129 175.860 176.117 -0.213 0.000 1.011 328 I CA -1.198 60.087 61.300 -0.025 0.000 1.107 328 I CB 1.865 39.941 38.000 0.127 0.000 1.285 328 I HN 0.284 nan 8.210 nan 0.000 0.436 329 R N 5.846 126.190 120.500 -0.260 0.000 2.476 329 R HA 0.588 4.933 4.340 0.009 0.000 0.305 329 R C -1.688 174.289 176.300 -0.537 0.000 0.965 329 R CA -0.658 55.164 56.100 -0.464 0.000 0.867 329 R CB 0.718 30.823 30.300 -0.324 0.000 1.176 329 R HN 0.472 nan 8.270 nan 0.000 0.447 330 F N 1.277 120.892 119.950 -0.558 0.000 2.579 330 F HA 0.688 5.220 4.527 0.009 0.000 0.324 330 F C -0.235 175.137 175.800 -0.715 0.000 1.058 330 F CA -1.548 55.812 58.000 -1.067 0.000 0.944 330 F CB 1.054 39.340 39.000 -1.189 0.000 1.245 330 F HN 0.467 nan 8.300 nan 0.000 0.477 331 R N 0.960 121.108 120.500 -0.587 0.000 2.349 331 R HA 0.788 5.133 4.340 0.009 0.000 0.299 331 R C -1.719 174.783 176.300 0.336 0.000 1.027 331 R CA -0.849 55.161 56.100 -0.149 0.000 0.958 331 R CB 1.466 31.481 30.300 -0.476 0.000 1.047 331 R HN 0.563 nan 8.270 nan 0.000 0.468 332 V N 2.812 123.051 119.914 0.543 0.000 2.384 332 V HA 0.731 4.857 4.120 0.009 0.000 0.287 332 V C 0.639 177.135 176.094 0.670 0.000 1.020 332 V CA 0.468 63.185 62.300 0.694 0.000 0.850 332 V CB 0.776 32.943 31.823 0.573 0.000 0.987 332 V HN 1.152 nan 8.190 nan 0.000 0.436 333 G N 5.238 114.418 108.800 0.634 0.000 2.288 333 G HA2 0.260 4.225 3.960 0.009 0.000 0.227 333 G HA3 0.260 4.225 3.960 0.009 0.000 0.227 333 G C -1.002 173.545 174.900 -0.588 0.000 1.339 333 G CA -0.236 44.919 45.100 0.091 0.000 1.057 333 G HN 1.019 nan 8.290 nan 0.000 0.470 334 R N -0.815 119.078 120.500 -1.011 0.000 2.716 334 R HA 0.591 4.936 4.340 0.009 0.000 0.271 334 R C -1.062 174.823 176.300 -0.691 0.000 1.028 334 R CA -1.077 54.553 56.100 -0.783 0.000 0.883 334 R CB 0.468 30.256 30.300 -0.853 0.000 1.250 334 R HN 0.466 nan 8.270 nan 0.000 0.465 335 N N 0.968 119.532 118.700 -0.227 0.000 2.453 335 N HA 0.018 4.763 4.740 0.009 0.000 0.253 335 N C 0.586 176.022 175.510 -0.124 0.000 1.252 335 N CA -0.103 52.900 53.050 -0.079 0.000 0.917 335 N CB 0.914 39.441 38.487 0.067 0.000 1.117 335 N HN 0.621 nan 8.380 nan 0.000 0.442 336 R N 1.065 121.520 120.500 -0.075 0.000 2.105 336 R HA -0.070 4.275 4.340 0.009 0.000 0.239 336 R C -0.207 176.076 176.300 -0.029 0.000 1.135 336 R CA 1.439 57.505 56.100 -0.056 0.000 0.967 336 R CB 0.283 30.568 30.300 -0.026 0.000 0.861 336 R HN 0.498 nan 8.270 nan 0.000 0.442 337 R N -1.899 118.604 120.500 0.004 0.000 2.522 337 R HA 0.286 4.632 4.340 0.009 0.000 0.283 337 R C -0.147 176.209 176.300 0.094 0.000 1.074 337 R CA 0.028 56.152 56.100 0.039 0.000 0.925 337 R CB 1.853 32.174 30.300 0.036 0.000 1.205 337 R HN 0.083 nan 8.270 nan 0.000 0.436 338 A N 2.862 125.768 122.820 0.143 0.000 1.968 338 A HA -0.070 4.255 4.320 0.009 0.000 0.217 338 A C 0.012 177.804 177.584 0.347 0.000 1.169 338 A CA 0.990 53.161 52.037 0.223 0.000 0.638 338 A CB 0.070 19.218 19.000 0.247 0.000 0.812 338 A HN 0.651 nan 8.150 nan 0.000 0.446 339 W N 0.041 121.426 121.300 0.142 0.000 2.554 339 W HA 0.565 5.230 4.660 0.008 0.000 0.324 339 W C -1.916 174.603 176.519 -0.001 0.000 1.018 339 W CA -1.642 55.717 57.345 0.022 0.000 1.243 339 W CB 1.221 30.623 29.460 -0.095 0.000 1.345 339 W HN -0.113 nan 8.180 nan 0.000 0.441 340 V N 7.725 127.869 119.914 0.383 0.000 2.531 340 V HA 0.727 4.852 4.120 0.009 0.000 0.301 340 V C 0.862 177.068 176.094 0.188 0.000 1.034 340 V CA 0.189 62.579 62.300 0.150 0.000 0.865 340 V CB 0.915 32.790 31.823 0.087 0.000 0.995 340 V HN 1.018 nan 8.190 nan 0.000 0.424 341 G N 4.961 113.799 108.800 0.062 0.000 2.629 341 G HA2 -0.342 3.624 3.960 0.009 0.000 0.313 341 G HA3 -0.342 3.624 3.960 0.009 0.000 0.313 341 G C 0.517 175.574 174.900 0.263 0.000 1.217 341 G CA 0.780 45.933 45.100 0.089 0.000 0.994 341 G HN 1.236 nan 8.290 nan 0.000 0.549 342 N N 0.441 119.270 118.700 0.215 0.000 2.321 342 N HA 0.309 5.055 4.740 0.009 0.000 0.242 342 N C -0.164 175.451 175.510 0.174 0.000 1.141 342 N CA 0.624 53.819 53.050 0.240 0.000 0.864 342 N CB 0.023 38.630 38.487 0.201 0.000 1.100 342 N HN 0.873 nan 8.380 nan 0.000 0.510 343 C N 1.041 120.436 119.300 0.157 0.000 2.322 343 C HA 0.656 5.122 4.460 0.009 0.000 0.324 343 C C -0.661 174.301 174.990 -0.047 0.000 1.249 343 C CA -0.380 58.668 59.018 0.049 0.000 1.453 343 C CB -0.063 27.703 27.740 0.042 0.000 2.145 343 C HN 0.189 nan 8.230 nan 0.000 0.466 344 V N 6.759 126.513 119.914 -0.266 0.000 2.384 344 V HA 0.532 4.657 4.120 0.009 0.000 0.287 344 V C 0.365 176.375 176.094 -0.141 0.000 1.020 344 V CA -0.227 61.852 62.300 -0.369 0.000 0.850 344 V CB 1.782 33.116 31.823 -0.815 0.000 0.987 344 V HN 0.975 nan 8.190 nan 0.000 0.436 345 S N 6.078 121.774 115.700 -0.006 0.000 2.499 345 S HA 0.761 5.236 4.470 0.009 0.000 0.279 345 S C -0.691 173.925 174.600 0.027 0.000 1.219 345 S CA -0.630 57.578 58.200 0.013 0.000 1.062 345 S CB 1.161 64.392 63.200 0.051 0.000 0.978 345 S HN 0.452 nan 8.310 nan 0.000 0.489 346 I N 2.427 122.988 120.570 -0.016 0.000 2.499 346 I HA 0.713 4.889 4.170 0.009 0.000 0.288 346 I C 0.855 176.950 176.117 -0.037 0.000 1.048 346 I CA 0.351 61.639 61.300 -0.020 0.000 1.062 346 I CB 0.776 38.745 38.000 -0.052 0.000 1.238 346 I HN 1.163 nan 8.210 nan 0.000 0.426 347 G N 4.893 113.682 108.800 -0.018 0.000 2.451 347 G HA2 -0.231 3.735 3.960 0.009 0.000 0.208 347 G HA3 -0.231 3.735 3.960 0.009 0.000 0.208 347 G C 0.611 175.511 174.900 -0.001 0.000 1.248 347 G CA 0.083 45.173 45.100 -0.017 0.000 0.989 347 G HN 0.747 nan 8.290 nan 0.000 0.559 348 T N -1.184 113.312 114.554 -0.097 0.000 3.051 348 T HA 0.091 4.446 4.350 0.009 0.000 0.269 348 T C 2.503 177.116 174.700 -0.144 0.000 1.127 348 T CA 2.305 64.287 62.100 -0.197 0.000 1.107 348 T CB -0.432 67.917 68.868 -0.866 0.000 0.898 348 T HN 1.869 nan 8.240 nan 0.000 0.517 349 S N 0.762 116.401 115.700 -0.102 0.000 2.481 349 S HA 0.001 4.477 4.470 0.009 0.000 0.231 349 S C 2.139 176.771 174.600 0.053 0.000 0.996 349 S CA 0.763 58.943 58.200 -0.033 0.000 0.942 349 S CB -0.361 62.815 63.200 -0.041 0.000 0.768 349 S HN 0.521 nan 8.310 nan 0.000 0.520 350 S N 0.376 116.110 115.700 0.056 0.000 2.438 350 S HA 0.256 4.731 4.470 0.009 0.000 0.220 350 S C 0.785 175.429 174.600 0.073 0.000 1.045 350 S CA 0.603 58.842 58.200 0.065 0.000 0.940 350 S CB -0.311 62.901 63.200 0.020 0.000 0.863 350 S HN 0.983 nan 8.310 nan 0.000 0.539 351 C N -0.950 118.390 119.300 0.067 0.000 3.321 351 C HA 0.889 5.355 4.460 0.009 0.000 0.329 351 C C -1.333 173.864 174.990 0.345 0.000 1.394 351 C CA -1.499 57.507 59.018 -0.021 0.000 1.291 351 C CB 0.476 27.831 27.740 -0.641 0.000 1.606 351 C HN 0.514 nan 8.230 nan 0.000 0.463 352 F N 0.318 120.446 119.950 0.297 0.000 2.708 352 F HA 0.707 5.239 4.527 0.009 0.000 0.309 352 F C -1.557 174.652 175.800 0.682 0.000 1.120 352 F CA -0.475 57.853 58.000 0.546 0.000 0.978 352 F CB 1.321 40.624 39.000 0.505 0.000 1.283 352 F HN 1.001 nan 8.300 nan 0.000 0.439 353 V N 5.124 124.780 119.914 -0.431 0.000 3.012 353 V HA 0.413 4.538 4.120 0.009 0.000 0.307 353 V C -1.122 174.489 176.094 -0.805 0.000 1.166 353 V CA -0.572 61.593 62.300 -0.226 0.000 0.974 353 V CB 2.081 33.952 31.823 0.080 0.000 1.040 353 V HN 0.901 nan 8.190 nan 0.000 0.428 354 E N 6.775 126.842 120.200 -0.222 0.000 2.508 354 E HA 0.023 4.378 4.350 0.009 0.000 0.266 354 E C -2.010 174.616 176.600 0.044 0.000 1.010 354 E CA -0.740 55.672 56.400 0.018 0.000 0.955 354 E CB 0.238 30.267 29.700 0.547 0.000 0.946 354 E HN 0.561 nan 8.360 nan 0.000 0.454 355 P HA -0.051 nan 4.420 nan 0.000 0.269 355 P C 0.809 178.303 177.300 0.324 0.000 1.461 355 P CA -0.004 63.183 63.100 0.144 0.000 0.809 355 P CB -0.021 31.677 31.700 -0.004 0.000 1.503 356 L N 0.357 121.746 121.223 0.276 0.000 2.191 356 L HA -0.052 4.293 4.340 0.009 0.000 0.212 356 L C 1.348 178.107 176.870 -0.185 0.000 1.103 356 L CA 1.969 56.670 54.840 -0.232 0.000 0.769 356 L CB -0.544 41.223 42.059 -0.487 0.000 0.908 356 L HN -0.095 nan 8.230 nan 0.000 0.438 357 E N -0.803 119.375 120.200 -0.038 0.000 2.887 357 E HA 0.225 4.580 4.350 0.009 0.000 0.206 357 E C 0.017 176.732 176.600 0.192 0.000 0.983 357 E CA 0.312 56.774 56.400 0.104 0.000 1.141 357 E CB 0.259 30.056 29.700 0.162 0.000 1.061 357 E HN 0.285 nan 8.360 nan 0.000 0.468 358 S N 0.458 116.219 115.700 0.101 0.000 3.484 358 S HA -0.175 4.300 4.470 0.009 0.000 0.384 358 S C 1.067 175.707 174.600 0.067 0.000 0.932 358 S CA 1.169 59.417 58.200 0.080 0.000 1.293 358 S CB -1.897 61.388 63.200 0.142 0.000 0.919 358 S HN 0.500 nan 8.310 nan 0.000 0.540 359 T N -3.108 111.405 114.554 -0.067 0.000 3.010 359 T HA 0.375 4.730 4.350 0.009 0.000 0.257 359 T C 1.966 176.334 174.700 -0.553 0.000 1.020 359 T CA 0.579 62.516 62.100 -0.272 0.000 0.938 359 T CB 0.215 68.795 68.868 -0.481 0.000 1.049 359 T HN 0.586 nan 8.240 nan 0.000 0.522 360 G N 2.719 111.326 108.800 -0.322 0.000 2.545 360 G HA2 -0.153 3.812 3.960 0.009 0.000 0.217 360 G HA3 -0.153 3.812 3.960 0.009 0.000 0.217 360 G C 1.375 176.212 174.900 -0.105 0.000 1.218 360 G CA 1.091 46.082 45.100 -0.181 0.000 0.787 360 G HN 0.538 nan 8.290 nan 0.000 0.571 361 I N -0.525 120.007 120.570 -0.063 0.000 2.315 361 I HA -0.126 4.049 4.170 0.009 0.000 0.248 361 I C 2.480 178.431 176.117 -0.276 0.000 1.117 361 I CA 1.064 62.329 61.300 -0.060 0.000 1.404 361 I CB -0.284 37.768 38.000 0.087 0.000 1.071 361 I HN 0.278 nan 8.210 nan 0.000 0.419 362 Y N 1.656 121.690 120.300 -0.444 0.000 2.165 362 Y HA -0.303 4.252 4.550 0.009 0.000 0.286 362 Y C 2.207 177.725 175.900 -0.637 0.000 1.155 362 Y CA 1.478 59.056 58.100 -0.870 0.000 1.164 362 Y CB -0.550 37.681 38.460 -0.382 0.000 0.978 362 Y HN 0.005 nan 8.280 nan 0.000 0.513 363 F N -0.601 119.026 119.950 -0.539 0.000 2.202 363 F HA -0.199 4.333 4.527 0.009 0.000 0.301 363 F C 2.464 178.003 175.800 -0.434 0.000 1.082 363 F CA 0.994 58.714 58.000 -0.468 0.000 1.313 363 F CB -1.338 37.584 39.000 -0.130 0.000 1.024 363 F HN -0.004 nan 8.300 nan 0.000 0.495 364 V N -0.202 119.579 119.914 -0.221 0.000 2.255 364 V HA -0.296 3.829 4.120 0.009 0.000 0.243 364 V C 2.272 178.193 176.094 -0.288 0.000 1.038 364 V CA 2.125 64.299 62.300 -0.210 0.000 1.008 364 V CB -1.152 30.566 31.823 -0.175 0.000 0.645 364 V HN 0.430 nan 8.190 nan 0.000 0.449 365 Y N 0.836 120.939 120.300 -0.328 0.000 2.439 365 Y HA 0.266 4.822 4.550 0.009 0.000 0.292 365 Y C 2.250 177.879 175.900 -0.452 0.000 1.130 365 Y CA 0.728 58.577 58.100 -0.418 0.000 1.254 365 Y CB -1.223 37.022 38.460 -0.357 0.000 1.000 365 Y HN 0.075 nan 8.280 nan 0.000 0.554 366 A N 1.432 123.967 122.820 -0.474 0.000 1.898 366 A HA 0.046 4.372 4.320 0.009 0.000 0.216 366 A C 2.481 179.979 177.584 -0.143 0.000 1.181 366 A CA 1.695 53.601 52.037 -0.220 0.000 0.620 366 A CB -1.254 17.474 19.000 -0.454 0.000 0.819 366 A HN 0.589 nan 8.150 nan 0.000 0.442 367 A N -0.374 122.337 122.820 -0.182 0.000 1.930 367 A HA 0.055 4.380 4.320 0.009 0.000 0.217 367 A C 2.133 179.730 177.584 0.020 0.000 1.175 367 A CA 1.300 53.296 52.037 -0.069 0.000 0.627 367 A CB -0.524 18.453 19.000 -0.039 0.000 0.815 367 A HN 0.450 nan 8.150 nan 0.000 0.443 368 L N -2.011 119.102 121.223 -0.183 0.000 2.093 368 L HA -0.176 4.169 4.340 0.009 0.000 0.208 368 L C 2.563 179.187 176.870 -0.410 0.000 1.085 368 L CA 1.663 56.303 54.840 -0.333 0.000 0.755 368 L CB -0.600 41.085 42.059 -0.623 0.000 0.904 368 L HN 0.621 nan 8.230 nan 0.000 0.435 369 Y N 0.659 120.602 120.300 -0.596 0.000 2.181 369 Y HA -0.277 4.278 4.550 0.008 0.000 0.288 369 Y C 2.707 178.572 175.900 -0.058 0.000 1.146 369 Y CA 1.535 59.407 58.100 -0.381 0.000 1.164 369 Y CB -0.057 38.118 38.460 -0.475 0.000 0.982 369 Y HN 0.156 nan 8.280 nan 0.000 0.515 370 Q N -0.160 119.732 119.800 0.153 0.000 2.167 370 Q HA -0.132 4.214 4.340 0.009 0.000 0.202 370 Q C 2.315 178.625 176.000 0.517 0.000 0.970 370 Q CA 1.286 57.264 55.803 0.291 0.000 0.855 370 Q CB -0.679 28.119 28.738 0.099 0.000 0.911 370 Q HN 0.542 nan 8.270 nan 0.000 0.438 371 L N 0.188 121.650 121.223 0.398 0.000 2.046 371 L HA -0.106 4.239 4.340 0.009 0.000 0.208 371 L C 2.126 179.140 176.870 0.239 0.000 1.077 371 L CA 1.396 56.328 54.840 0.154 0.000 0.747 371 L CB -0.675 41.324 42.059 -0.101 0.000 0.896 371 L HN -0.073 nan 8.230 nan 0.000 0.432 372 V N 0.076 120.088 119.914 0.162 0.000 2.427 372 V HA -0.277 3.848 4.120 0.009 0.000 0.248 372 V C 2.653 178.785 176.094 0.064 0.000 1.051 372 V CA 2.006 64.377 62.300 0.117 0.000 1.048 372 V CB -0.751 31.078 31.823 0.010 0.000 0.666 372 V HN 0.560 nan 8.190 nan 0.000 0.456 373 K N -0.116 120.255 120.400 -0.049 0.000 2.097 373 K HA -0.182 4.143 4.320 0.009 0.000 0.205 373 K C 1.449 177.986 176.600 -0.106 0.000 1.050 373 K CA 1.668 57.865 56.287 -0.151 0.000 0.938 373 K CB -0.096 32.236 32.500 -0.281 0.000 0.718 373 K HN 0.603 nan 8.250 nan 0.000 0.442 374 H N -1.093 118.080 119.070 0.172 0.000 2.507 374 H HA 0.163 4.724 4.556 0.009 0.000 0.294 374 H C -0.915 174.570 175.328 0.261 0.000 1.064 374 H CA -0.617 55.571 56.048 0.233 0.000 1.138 374 H CB -0.274 29.697 29.762 0.349 0.000 1.515 374 H HN 0.022 nan 8.280 nan 0.000 0.547 375 F N 4.217 124.252 119.950 0.141 0.000 2.608 375 F HA 0.079 4.611 4.527 0.009 0.000 0.380 375 F C -1.700 174.179 175.800 0.132 0.000 1.083 375 F CA -1.707 56.346 58.000 0.088 0.000 1.266 375 F CB 0.643 39.649 39.000 0.010 0.000 1.076 375 F HN 0.165 nan 8.300 nan 0.000 0.574 376 P HA 0.300 nan 4.420 nan 0.000 0.304 376 P C -1.589 175.686 177.300 -0.042 0.000 1.310 376 P CA -0.478 62.602 63.100 -0.034 0.000 0.796 376 P CB 1.744 33.472 31.700 0.048 0.000 1.297 377 D N -1.521 118.888 120.400 0.015 0.000 2.650 377 D HA 0.188 4.834 4.640 0.009 0.000 0.255 377 D C 0.670 176.978 176.300 0.014 0.000 1.135 377 D CA -0.664 53.359 54.000 0.039 0.000 1.099 377 D CB 0.637 41.470 40.800 0.054 0.000 1.273 377 D HN 0.158 nan 8.370 nan 0.000 0.628 378 K N -0.651 119.763 120.400 0.023 0.000 2.442 378 K HA -0.048 4.277 4.320 0.009 0.000 0.198 378 K C 1.630 178.243 176.600 0.022 0.000 1.044 378 K CA 1.043 57.343 56.287 0.021 0.000 0.948 378 K CB -0.139 32.376 32.500 0.025 0.000 0.762 378 K HN 0.485 nan 8.250 nan 0.000 0.472 379 S N 0.555 116.266 115.700 0.018 0.000 2.527 379 S HA 0.024 4.499 4.470 0.009 0.000 0.222 379 S C 0.778 175.381 174.600 0.005 0.000 0.985 379 S CA -0.149 58.058 58.200 0.011 0.000 0.921 379 S CB -0.520 62.685 63.200 0.008 0.000 0.772 379 S HN 0.337 nan 8.310 nan 0.000 0.529 380 L N 1.810 123.040 121.223 0.012 0.000 3.823 380 L HA -0.158 4.187 4.340 0.009 0.000 0.525 380 L C 0.093 176.932 176.870 -0.052 0.000 1.247 380 L CA -0.067 54.777 54.840 0.007 0.000 0.776 380 L CB -2.031 40.045 42.059 0.029 0.000 1.443 380 L HN 0.443 nan 8.230 nan 0.000 0.831 381 N N 1.954 120.628 118.700 -0.043 0.000 2.374 381 N HA -0.010 4.735 4.740 0.009 0.000 0.269 381 N C -1.028 174.405 175.510 -0.129 0.000 1.310 381 N CA -0.849 52.166 53.050 -0.059 0.000 0.877 381 N CB 1.079 39.550 38.487 -0.027 0.000 1.096 381 N HN 0.131 nan 8.380 nan 0.000 0.484 382 P HA -0.158 nan 4.420 nan 0.000 0.217 382 P C 1.397 178.595 177.300 -0.170 0.000 1.148 382 P CA 0.739 63.736 63.100 -0.171 0.000 0.828 382 P CB 0.352 31.986 31.700 -0.110 0.000 0.783 383 V N -0.783 119.071 119.914 -0.100 0.000 2.407 383 V HA -0.219 3.906 4.120 0.009 0.000 0.248 383 V C 2.369 178.437 176.094 -0.043 0.000 1.055 383 V CA 1.584 63.850 62.300 -0.056 0.000 1.049 383 V CB -1.152 30.663 31.823 -0.015 0.000 0.662 383 V HN 0.097 nan 8.190 nan 0.000 0.455 384 L N -0.477 120.710 121.223 -0.060 0.000 2.093 384 L HA -0.138 4.207 4.340 0.009 0.000 0.208 384 L C 2.608 179.381 176.870 -0.162 0.000 1.085 384 L CA 1.794 56.650 54.840 0.027 0.000 0.755 384 L CB -1.049 41.045 42.059 0.058 0.000 0.904 384 L HN 0.327 nan 8.230 nan 0.000 0.435 385 T N 0.038 114.247 114.554 -0.576 0.000 2.737 385 T HA -0.136 4.219 4.350 0.009 0.000 0.265 385 T C 2.064 176.546 174.700 -0.363 0.000 1.038 385 T CA 1.321 62.825 62.100 -0.993 0.000 1.144 385 T CB -0.228 67.899 68.868 -1.235 0.000 0.866 385 T HN 0.426 nan 8.240 nan 0.000 0.434 386 A N 1.934 124.615 122.820 -0.232 0.000 1.902 386 A HA -0.121 4.204 4.320 0.009 0.000 0.217 386 A C 2.408 179.964 177.584 -0.046 0.000 1.181 386 A CA 1.142 53.114 52.037 -0.108 0.000 0.623 386 A CB -0.342 18.610 19.000 -0.080 0.000 0.818 386 A HN 0.177 nan 8.150 nan 0.000 0.443 387 R N -1.424 119.067 120.500 -0.014 0.000 2.075 387 R HA -0.066 4.279 4.340 0.009 0.000 0.232 387 R C 1.921 178.123 176.300 -0.163 0.000 1.126 387 R CA 1.379 57.490 56.100 0.018 0.000 0.963 387 R CB -1.325 29.108 30.300 0.221 0.000 0.858 387 R HN 0.654 nan 8.270 nan 0.000 0.435 388 F N 2.681 122.360 119.950 -0.451 0.000 2.069 388 F HA -0.212 4.320 4.527 0.008 0.000 0.298 388 F C 1.813 177.524 175.800 -0.149 0.000 1.113 388 F CA 1.545 59.267 58.000 -0.464 0.000 1.214 388 F CB -0.326 38.639 39.000 -0.059 0.000 0.978 388 F HN -0.023 nan 8.300 nan 0.000 0.474 389 N N 0.606 119.343 118.700 0.061 0.000 2.149 389 N HA -0.228 4.517 4.740 0.009 0.000 0.188 389 N C 1.947 177.397 175.510 -0.100 0.000 1.019 389 N CA 1.490 54.534 53.050 -0.009 0.000 0.857 389 N CB -0.538 37.980 38.487 0.053 0.000 0.997 389 N HN 0.288 nan 8.380 nan 0.000 0.426 390 R N 1.476 121.931 120.500 -0.075 0.000 2.075 390 R HA -0.022 4.323 4.340 0.009 0.000 0.232 390 R C 1.655 177.932 176.300 -0.039 0.000 1.126 390 R CA 1.188 57.264 56.100 -0.039 0.000 0.963 390 R CB -0.124 30.174 30.300 -0.002 0.000 0.858 390 R HN 0.123 nan 8.270 nan 0.000 0.435 391 E N 0.477 120.628 120.200 -0.082 0.000 2.110 391 E HA -0.149 4.207 4.350 0.009 0.000 0.193 391 E C 1.958 178.556 176.600 -0.002 0.000 0.988 391 E CA 0.984 57.398 56.400 0.024 0.000 0.804 391 E CB -0.162 29.511 29.700 -0.045 0.000 0.745 391 E HN 0.341 nan 8.360 nan 0.000 0.458 392 I N 1.809 122.235 120.570 -0.240 0.000 2.202 392 I HA -0.244 3.931 4.170 0.009 0.000 0.242 392 I C 2.509 178.556 176.117 -0.117 0.000 1.091 392 I CA 1.369 62.521 61.300 -0.246 0.000 1.368 392 I CB -1.435 36.334 38.000 -0.385 0.000 1.058 392 I HN 0.249 nan 8.210 nan 0.000 0.410 393 E N 1.209 121.361 120.200 -0.080 0.000 2.118 393 E HA -0.240 4.115 4.350 0.009 0.000 0.195 393 E C 1.946 178.565 176.600 0.032 0.000 0.992 393 E CA 2.121 58.515 56.400 -0.010 0.000 0.804 393 E CB -0.763 28.930 29.700 -0.012 0.000 0.741 393 E HN 0.575 nan 8.360 nan 0.000 0.458 394 T N -0.735 113.824 114.554 0.009 0.000 2.857 394 T HA -0.131 4.224 4.350 0.009 0.000 0.266 394 T C 2.037 176.721 174.700 -0.027 0.000 1.048 394 T CA 1.128 63.233 62.100 0.007 0.000 1.139 394 T CB -0.245 68.628 68.868 0.008 0.000 0.874 394 T HN 0.254 nan 8.240 nan 0.000 0.455 395 M N -0.293 119.262 119.600 -0.074 0.000 2.086 395 M HA 0.012 4.497 4.480 0.009 0.000 0.261 395 M C 2.069 178.351 176.300 -0.030 0.000 1.067 395 M CA 1.846 57.051 55.300 -0.158 0.000 1.116 395 M CB -0.382 32.133 32.600 -0.141 0.000 1.348 395 M HN 0.296 nan 8.290 nan 0.000 0.407 396 F N 1.469 121.282 119.950 -0.227 0.000 2.084 396 F HA -0.200 4.332 4.527 0.009 0.000 0.296 396 F C 1.683 177.504 175.800 0.036 0.000 1.111 396 F CA 2.121 59.996 58.000 -0.208 0.000 1.224 396 F CB -0.545 38.275 39.000 -0.300 0.000 0.991 396 F HN 0.233 nan 8.300 nan 0.000 0.471 397 D N 0.327 120.758 120.400 0.052 0.000 2.182 397 D HA -0.177 4.468 4.640 0.009 0.000 0.201 397 D C 1.777 178.065 176.300 -0.020 0.000 0.986 397 D CA 1.592 55.583 54.000 -0.015 0.000 0.847 397 D CB -0.571 40.262 40.800 0.054 0.000 0.942 397 D HN 0.338 nan 8.370 nan 0.000 0.467 398 D N -0.709 119.735 120.400 0.074 0.000 2.144 398 D HA -0.067 4.578 4.640 0.009 0.000 0.200 398 D C 1.913 178.407 176.300 0.324 0.000 0.978 398 D CA 1.062 55.184 54.000 0.204 0.000 0.833 398 D CB -0.237 40.714 40.800 0.252 0.000 0.961 398 D HN 0.122 nan 8.370 nan 0.000 0.470 399 T N -0.108 114.669 114.554 0.371 0.000 2.857 399 T HA -0.084 4.271 4.350 0.009 0.000 0.266 399 T C 1.848 176.597 174.700 0.082 0.000 1.048 399 T CA 0.582 62.974 62.100 0.487 0.000 1.139 399 T CB 0.059 69.349 68.868 0.704 0.000 0.874 399 T HN 0.110 nan 8.240 nan 0.000 0.455 400 R N 1.166 121.565 120.500 -0.168 0.000 2.091 400 R HA -0.163 4.182 4.340 0.009 0.000 0.238 400 R C 1.618 177.875 176.300 -0.072 0.000 1.136 400 R CA 1.994 57.963 56.100 -0.219 0.000 0.959 400 R CB -0.317 29.768 30.300 -0.357 0.000 0.856 400 R HN 0.269 nan 8.270 nan 0.000 0.437 401 D N -0.004 120.368 120.400 -0.046 0.000 2.097 401 D HA -0.163 4.482 4.640 0.009 0.000 0.197 401 D C 1.603 177.949 176.300 0.077 0.000 0.984 401 D CA 0.995 54.993 54.000 -0.003 0.000 0.826 401 D CB -0.495 40.316 40.800 0.018 0.000 0.973 401 D HN 0.177 nan 8.370 nan 0.000 0.460 402 F N 1.549 121.427 119.950 -0.121 0.000 2.095 402 F HA -0.143 4.390 4.527 0.009 0.000 0.298 402 F C 2.163 177.878 175.800 -0.143 0.000 1.104 402 F CA 1.038 58.884 58.000 -0.256 0.000 1.232 402 F CB -0.466 38.020 39.000 -0.858 0.000 0.987 402 F HN -0.110 nan 8.300 nan 0.000 0.475 403 I N -0.005 120.405 120.570 -0.266 0.000 2.226 403 I HA -0.323 3.852 4.170 0.009 0.000 0.245 403 I C 2.539 178.637 176.117 -0.032 0.000 1.100 403 I CA 1.674 62.740 61.300 -0.389 0.000 1.374 403 I CB -0.641 37.247 38.000 -0.188 0.000 1.057 403 I HN 0.278 nan 8.210 nan 0.000 0.413 404 Q N 1.303 121.167 119.800 0.107 0.000 2.170 404 Q HA -0.227 4.119 4.340 0.009 0.000 0.203 404 Q C 2.226 178.365 176.000 0.232 0.000 0.976 404 Q CA 1.804 57.756 55.803 0.248 0.000 0.858 404 Q CB -0.096 28.738 28.738 0.159 0.000 0.907 404 Q HN 0.530 nan 8.270 nan 0.000 0.433 405 A N -0.004 122.895 122.820 0.132 0.000 2.019 405 A HA -0.210 4.115 4.320 0.009 0.000 0.219 405 A C 1.430 179.091 177.584 0.129 0.000 1.164 405 A CA 1.619 53.772 52.037 0.193 0.000 0.644 405 A CB -0.775 18.305 19.000 0.132 0.000 0.805 405 A HN 0.555 nan 8.150 nan 0.000 0.449 406 H N -1.605 117.294 119.070 -0.285 0.000 2.387 406 H HA -0.044 4.518 4.556 0.008 0.000 0.299 406 H C 1.470 176.712 175.328 -0.144 0.000 1.090 406 H CA 1.972 57.735 56.048 -0.476 0.000 1.332 406 H CB -0.299 28.925 29.762 -0.897 0.000 1.386 406 H HN 0.608 nan 8.280 nan 0.000 0.516 407 F N -2.010 118.176 119.950 0.392 0.000 2.317 407 F HA -0.000 4.532 4.527 0.009 0.000 0.290 407 F C 2.184 178.121 175.800 0.229 0.000 1.075 407 F CA 0.302 58.550 58.000 0.414 0.000 1.380 407 F CB -0.801 38.325 39.000 0.210 0.000 1.093 407 F HN 0.043 nan 8.300 nan 0.000 0.524 408 Y N -0.401 119.973 120.300 0.123 0.000 2.207 408 Y HA -0.227 4.328 4.550 0.009 0.000 0.287 408 Y C 1.393 177.052 175.900 -0.401 0.000 1.156 408 Y CA 1.614 59.580 58.100 -0.224 0.000 1.182 408 Y CB -0.463 37.714 38.460 -0.472 0.000 0.979 408 Y HN -0.011 nan 8.280 nan 0.000 0.521 409 F N -0.936 119.114 119.950 0.167 0.000 2.664 409 F HA 0.230 4.763 4.527 0.009 0.000 0.303 409 F C 1.150 176.955 175.800 0.008 0.000 1.092 409 F CA -0.037 57.982 58.000 0.031 0.000 1.305 409 F CB -0.320 38.666 39.000 -0.024 0.000 1.054 409 F HN -0.219 nan 8.300 nan 0.000 0.565 410 S N 2.781 118.606 115.700 0.209 0.000 2.564 410 S HA 0.120 4.595 4.470 0.009 0.000 0.278 410 S C -0.993 173.648 174.600 0.068 0.000 1.333 410 S CA -1.155 57.148 58.200 0.173 0.000 1.048 410 S CB 0.846 64.207 63.200 0.269 0.000 0.900 410 S HN 0.025 nan 8.310 nan 0.000 0.505 411 P HA 0.003 nan 4.420 nan 0.000 0.236 411 P C -0.141 177.130 177.300 -0.048 0.000 1.177 411 P CA 0.252 63.346 63.100 -0.011 0.000 0.773 411 P CB 0.100 31.795 31.700 -0.009 0.000 0.878 412 R N 0.662 121.084 120.500 -0.130 0.000 2.640 412 R HA 0.165 4.510 4.340 0.009 0.000 0.270 412 R C 1.045 177.338 176.300 -0.013 0.000 1.024 412 R CA 1.169 57.159 56.100 -0.183 0.000 1.085 412 R CB -0.259 29.685 30.300 -0.593 0.000 0.963 412 R HN 0.157 nan 8.270 nan 0.000 0.426 413 T N -3.344 111.218 114.554 0.014 0.000 3.403 413 T HA -0.008 4.348 4.350 0.009 0.000 0.308 413 T C 0.598 175.351 174.700 0.089 0.000 0.952 413 T CA -0.400 61.742 62.100 0.070 0.000 0.970 413 T CB 0.112 68.999 68.868 0.031 0.000 1.189 413 T HN 0.651 nan 8.240 nan 0.000 0.528 414 D N 2.013 122.465 120.400 0.087 0.000 2.312 414 D HA -0.021 4.624 4.640 0.009 0.000 0.211 414 D C 0.927 177.323 176.300 0.160 0.000 0.964 414 D CA 0.763 54.820 54.000 0.095 0.000 0.877 414 D CB -0.099 40.729 40.800 0.048 0.000 0.924 414 D HN 0.620 nan 8.370 nan 0.000 0.515 415 T N -4.437 110.272 114.554 0.258 0.000 2.883 415 T HA 0.419 4.774 4.350 0.009 0.000 0.296 415 T C -2.459 172.369 174.700 0.214 0.000 1.117 415 T CA -1.704 60.550 62.100 0.256 0.000 1.006 415 T CB 2.433 71.505 68.868 0.340 0.000 1.191 415 T HN -0.418 nan 8.240 nan 0.000 0.508 416 P HA -0.010 nan 4.420 nan 0.000 0.216 416 P C 1.234 178.529 177.300 -0.007 0.000 1.150 416 P CA 0.612 63.853 63.100 0.235 0.000 0.837 416 P CB -0.115 31.840 31.700 0.424 0.000 0.786 417 F N -0.931 118.786 119.950 -0.389 0.000 2.046 417 F HA -0.183 4.349 4.527 0.008 0.000 0.297 417 F C 1.875 177.279 175.800 -0.660 0.000 1.123 417 F CA 1.534 58.919 58.000 -1.025 0.000 1.199 417 F CB -1.141 37.355 39.000 -0.840 0.000 0.972 417 F HN -0.122 nan 8.300 nan 0.000 0.474 418 W N 0.763 121.928 121.300 -0.224 0.000 2.374 418 W HA -0.080 4.585 4.660 0.008 0.000 0.288 418 W C 2.571 178.941 176.519 -0.248 0.000 1.218 418 W CA 1.243 58.441 57.345 -0.244 0.000 1.245 418 W CB -0.370 29.092 29.460 0.003 0.000 1.126 418 W HN -0.096 nan 8.180 nan 0.000 0.545 419 R N -0.193 120.313 120.500 0.010 0.000 2.119 419 R HA 0.015 4.360 4.340 0.009 0.000 0.222 419 R C 2.320 178.559 176.300 -0.102 0.000 1.088 419 R CA 1.127 57.218 56.100 -0.016 0.000 0.984 419 R CB -0.758 29.562 30.300 0.034 0.000 0.884 419 R HN 0.132 nan 8.270 nan 0.000 0.447 420 A N 1.753 124.451 122.820 -0.204 0.000 1.930 420 A HA -0.145 4.180 4.320 0.009 0.000 0.217 420 A C 1.719 179.160 177.584 -0.239 0.000 1.175 420 A CA 1.167 53.096 52.037 -0.181 0.000 0.627 420 A CB -0.381 18.488 19.000 -0.219 0.000 0.815 420 A HN 0.231 nan 8.150 nan 0.000 0.443 421 N N 0.126 118.582 118.700 -0.406 0.000 2.272 421 N HA -0.133 4.612 4.740 0.009 0.000 0.185 421 N C 1.372 176.798 175.510 -0.140 0.000 1.014 421 N CA 1.348 54.223 53.050 -0.292 0.000 0.870 421 N CB -0.212 38.080 38.487 -0.326 0.000 0.975 421 N HN 0.585 nan 8.380 nan 0.000 0.433 422 K N 0.739 121.015 120.400 -0.207 0.000 2.365 422 K HA 0.029 4.354 4.320 0.009 0.000 0.197 422 K C 1.434 177.938 176.600 -0.160 0.000 1.042 422 K CA 0.459 56.539 56.287 -0.345 0.000 0.987 422 K CB 0.206 32.524 32.500 -0.304 0.000 0.779 422 K HN 0.280 nan 8.250 nan 0.000 0.484 423 E N 0.637 120.799 120.200 -0.063 0.000 2.285 423 E HA 0.004 4.359 4.350 0.009 0.000 0.194 423 E C 0.335 176.966 176.600 0.050 0.000 0.997 423 E CA 0.115 56.514 56.400 -0.001 0.000 0.845 423 E CB 0.150 29.851 29.700 0.003 0.000 0.782 423 E HN 0.181 nan 8.360 nan 0.000 0.491 424 L N 1.002 122.271 121.223 0.076 0.000 2.474 424 L HA 0.148 4.494 4.340 0.009 0.000 0.259 424 L C 0.715 177.663 176.870 0.130 0.000 1.232 424 L CA 0.021 54.910 54.840 0.082 0.000 0.821 424 L CB 0.236 42.339 42.059 0.073 0.000 1.108 424 L HN -0.001 nan 8.230 nan 0.000 0.495 425 R N 0.768 121.282 120.500 0.023 0.000 2.445 425 R HA 0.518 4.863 4.340 0.009 0.000 0.308 425 R C -1.045 175.254 176.300 -0.002 0.000 0.961 425 R CA -0.699 55.402 56.100 0.001 0.000 0.862 425 R CB 1.111 31.405 30.300 -0.010 0.000 1.144 425 R HN 0.489 nan 8.270 nan 0.000 0.447 426 L N 3.261 124.410 121.223 -0.124 0.000 2.395 426 L HA 0.386 4.731 4.340 0.009 0.000 0.269 426 L C 0.647 177.543 176.870 0.045 0.000 1.133 426 L CA -0.567 54.206 54.840 -0.111 0.000 0.812 426 L CB 1.403 43.273 42.059 -0.315 0.000 1.125 426 L HN 0.757 nan 8.230 nan 0.000 0.452 427 A N 1.636 124.483 122.820 0.045 0.000 2.466 427 A HA 0.016 4.341 4.320 0.009 0.000 0.238 427 A C 0.896 178.483 177.584 0.005 0.000 1.074 427 A CA -0.337 51.718 52.037 0.031 0.000 0.774 427 A CB 0.124 19.045 19.000 -0.132 0.000 1.015 427 A HN 0.868 nan 8.150 nan 0.000 0.498 428 D N 2.014 122.426 120.400 0.020 0.000 2.133 428 D HA -0.164 4.481 4.640 0.009 0.000 0.195 428 D C 2.041 178.339 176.300 -0.003 0.000 0.997 428 D CA 2.068 56.074 54.000 0.010 0.000 0.840 428 D CB -0.524 40.286 40.800 0.016 0.000 0.947 428 D HN 0.728 nan 8.370 nan 0.000 0.452 429 G N 0.492 109.289 108.800 -0.005 0.000 2.418 429 G HA2 -0.276 3.689 3.960 0.009 0.000 0.217 429 G HA3 -0.276 3.689 3.960 0.009 0.000 0.217 429 G C 1.575 176.465 174.900 -0.016 0.000 1.158 429 G CA 0.968 46.064 45.100 -0.006 0.000 0.771 429 G HN 0.161 nan 8.290 nan 0.000 0.545 430 M N 0.074 119.662 119.600 -0.021 0.000 2.200 430 M HA 0.074 4.559 4.480 0.009 0.000 0.265 430 M C 2.426 178.708 176.300 -0.031 0.000 1.066 430 M CA 1.512 56.799 55.300 -0.021 0.000 1.127 430 M CB -0.404 32.182 32.600 -0.023 0.000 1.379 430 M HN 0.269 nan 8.290 nan 0.000 0.420 431 Q N 0.421 120.204 119.800 -0.028 0.000 2.084 431 Q HA -0.229 4.117 4.340 0.009 0.000 0.202 431 Q C 1.965 177.956 176.000 -0.015 0.000 0.978 431 Q CA 2.414 58.208 55.803 -0.014 0.000 0.844 431 Q CB -0.417 28.316 28.738 -0.009 0.000 0.898 431 Q HN 0.725 nan 8.270 nan 0.000 0.426 432 E N -0.300 119.887 120.200 -0.022 0.000 2.110 432 E HA -0.218 4.138 4.350 0.009 0.000 0.193 432 E C 1.646 178.214 176.600 -0.053 0.000 0.988 432 E CA 1.174 57.558 56.400 -0.027 0.000 0.804 432 E CB 0.017 29.705 29.700 -0.021 0.000 0.745 432 E HN 0.319 nan 8.360 nan 0.000 0.458 433 K N 0.147 120.495 120.400 -0.086 0.000 2.097 433 K HA -0.112 4.213 4.320 0.009 0.000 0.205 433 K C 2.125 178.627 176.600 -0.163 0.000 1.050 433 K CA 1.044 57.231 56.287 -0.167 0.000 0.938 433 K CB -0.014 32.319 32.500 -0.278 0.000 0.718 433 K HN 0.221 nan 8.250 nan 0.000 0.442 434 I N 2.067 122.568 120.570 -0.116 0.000 2.252 434 I HA -0.236 3.939 4.170 0.009 0.000 0.245 434 I C 1.630 177.730 176.117 -0.029 0.000 1.102 434 I CA 1.536 62.780 61.300 -0.094 0.000 1.385 434 I CB -1.033 36.965 38.000 -0.003 0.000 1.064 434 I HN 0.157 nan 8.210 nan 0.000 0.414 435 D N 0.584 120.972 120.400 -0.021 0.000 2.104 435 D HA -0.184 4.461 4.640 0.009 0.000 0.194 435 D C 2.377 178.655 176.300 -0.038 0.000 0.994 435 D CA 1.248 55.237 54.000 -0.019 0.000 0.830 435 D CB -0.199 40.594 40.800 -0.013 0.000 0.959 435 D HN 0.286 nan 8.370 nan 0.000 0.452 436 M N -0.609 118.965 119.600 -0.042 0.000 2.080 436 M HA -0.203 4.282 4.480 0.009 0.000 0.260 436 M C 2.230 178.495 176.300 -0.058 0.000 1.068 436 M CA 1.250 56.522 55.300 -0.047 0.000 1.109 436 M CB -0.398 32.174 32.600 -0.046 0.000 1.342 436 M HN 0.055 nan 8.290 nan 0.000 0.405 437 Y N 1.095 121.266 120.300 -0.215 0.000 2.128 437 Y HA -0.216 4.339 4.550 0.008 0.000 0.284 437 Y C 2.337 178.060 175.900 -0.294 0.000 1.154 437 Y CA 1.757 59.682 58.100 -0.293 0.000 1.149 437 Y CB -0.218 37.998 38.460 -0.406 0.000 0.976 437 Y HN 0.046 nan 8.280 nan 0.000 0.505 438 R N -0.211 120.176 120.500 -0.188 0.000 2.193 438 R HA -0.054 4.292 4.340 0.009 0.000 0.229 438 R C 1.884 178.041 176.300 -0.239 0.000 1.110 438 R CA 0.800 56.748 56.100 -0.252 0.000 0.988 438 R CB -0.365 29.875 30.300 -0.100 0.000 0.871 438 R HN 0.399 nan 8.270 nan 0.000 0.458 439 A N -0.126 122.581 122.820 -0.189 0.000 2.307 439 A HA 0.272 4.598 4.320 0.009 0.000 0.218 439 A C 1.273 178.745 177.584 -0.186 0.000 1.228 439 A CA 0.600 52.548 52.037 -0.148 0.000 0.857 439 A CB 0.074 19.019 19.000 -0.091 0.000 0.897 439 A HN 0.404 nan 8.150 nan 0.000 0.495 440 G N -1.265 107.357 108.800 -0.297 0.000 2.159 440 G HA2 -0.266 3.699 3.960 0.009 0.000 0.256 440 G HA3 -0.266 3.699 3.960 0.009 0.000 0.256 440 G C 0.223 174.915 174.900 -0.346 0.000 0.977 440 G CA 0.478 45.364 45.100 -0.356 0.000 0.652 440 G HN 0.427 nan 8.290 nan 0.000 0.531 441 M N 0.863 120.361 119.600 -0.169 0.000 2.255 441 M HA 0.585 5.070 4.480 0.009 0.000 0.336 441 M C 0.923 177.319 176.300 0.160 0.000 1.135 441 M CA 0.173 55.481 55.300 0.014 0.000 1.145 441 M CB 1.231 33.839 32.600 0.014 0.000 1.473 441 M HN 0.412 nan 8.290 nan 0.000 0.462 442 A N 2.854 125.879 122.820 0.343 0.000 2.322 442 A HA 0.640 4.966 4.320 0.009 0.000 0.269 442 A C -0.420 177.277 177.584 0.187 0.000 1.094 442 A CA -0.504 51.762 52.037 0.381 0.000 0.807 442 A CB 0.173 19.327 19.000 0.256 0.000 1.047 442 A HN 0.818 nan 8.150 nan 0.000 0.487 443 I N 1.334 121.999 120.570 0.157 0.000 2.339 443 I HA 0.182 4.357 4.170 0.009 0.000 0.290 443 I C -0.171 175.996 176.117 0.084 0.000 0.994 443 I CA -0.411 60.889 61.300 -0.000 0.000 1.191 443 I CB 0.964 38.774 38.000 -0.316 0.000 1.343 443 I HN 0.865 nan 8.210 nan 0.000 0.458 444 N N 4.435 123.174 118.700 0.066 0.000 2.686 444 N HA -0.195 4.550 4.740 0.009 0.000 0.261 444 N C -0.136 175.431 175.510 0.095 0.000 1.001 444 N CA 0.650 53.757 53.050 0.095 0.000 0.764 444 N CB -0.324 38.247 38.487 0.142 0.000 0.898 444 N HN 0.763 nan 8.380 nan 0.000 0.544 445 A N 0.984 123.860 122.820 0.094 0.000 2.462 445 A HA 0.364 4.690 4.320 0.009 0.000 0.243 445 A C -1.592 176.034 177.584 0.070 0.000 1.076 445 A CA -0.778 51.310 52.037 0.085 0.000 0.773 445 A CB 0.240 19.335 19.000 0.158 0.000 1.010 445 A HN 0.259 nan 8.150 nan 0.000 0.493 446 P HA 0.197 nan 4.420 nan 0.000 0.276 446 P C 0.685 178.049 177.300 0.107 0.000 1.235 446 P CA 0.409 63.496 63.100 -0.023 0.000 0.772 446 P CB 1.268 32.826 31.700 -0.236 0.000 0.871 447 A N 3.147 126.015 122.820 0.079 0.000 2.042 447 A HA -0.115 4.210 4.320 0.009 0.000 0.222 447 A C 1.286 178.917 177.584 0.077 0.000 1.167 447 A CA 1.802 53.881 52.037 0.069 0.000 0.649 447 A CB -0.585 18.447 19.000 0.054 0.000 0.809 447 A HN 0.673 nan 8.150 nan 0.000 0.457 448 S N -1.456 114.307 115.700 0.105 0.000 2.627 448 S HA 0.444 4.919 4.470 0.009 0.000 0.283 448 S C -0.782 173.901 174.600 0.137 0.000 1.127 448 S CA -0.036 58.237 58.200 0.122 0.000 0.863 448 S CB 1.452 64.693 63.200 0.068 0.000 1.121 448 S HN 0.394 nan 8.310 nan 0.000 0.479 449 D N 0.902 121.397 120.400 0.158 0.000 2.559 449 D HA 0.092 4.737 4.640 0.009 0.000 0.234 449 D C -0.519 175.779 176.300 -0.004 0.000 1.226 449 D CA -0.248 53.768 54.000 0.026 0.000 0.830 449 D CB -0.018 40.815 40.800 0.054 0.000 1.028 449 D HN 0.505 nan 8.370 nan 0.000 0.492 450 D N 1.112 121.523 120.400 0.019 0.000 2.467 450 D HA 0.260 4.905 4.640 0.009 0.000 0.220 450 D C 1.218 177.550 176.300 0.052 0.000 1.103 450 D CA -0.379 53.645 54.000 0.040 0.000 0.886 450 D CB 1.601 42.435 40.800 0.056 0.000 1.025 450 D HN 0.074 nan 8.370 nan 0.000 0.514 451 A N 3.838 126.693 122.820 0.059 0.000 1.927 451 A HA -0.339 3.986 4.320 0.009 0.000 0.220 451 A C 2.216 179.918 177.584 0.196 0.000 1.185 451 A CA 2.883 54.993 52.037 0.122 0.000 0.639 451 A CB -1.057 18.095 19.000 0.255 0.000 0.820 451 A HN 0.707 nan 8.150 nan 0.000 0.451 452 Q N -0.124 119.773 119.800 0.162 0.000 1.943 452 Q HA -0.241 4.104 4.340 0.009 0.000 0.213 452 Q C 2.199 178.288 176.000 0.148 0.000 1.017 452 Q CA 2.171 58.065 55.803 0.151 0.000 0.874 452 Q CB -1.353 27.451 28.738 0.109 0.000 0.960 452 Q HN 0.776 nan 8.270 nan 0.000 0.417 453 L N -1.338 119.959 121.223 0.124 0.000 2.010 453 L HA -0.231 4.114 4.340 0.009 0.000 0.219 453 L C 2.638 179.590 176.870 0.138 0.000 1.077 453 L CA 2.304 57.215 54.840 0.119 0.000 0.773 453 L CB -0.900 41.223 42.059 0.107 0.000 0.892 453 L HN 0.645 nan 8.230 nan 0.000 0.436 454 Y N 0.449 120.732 120.300 -0.028 0.000 2.009 454 Y HA -0.320 4.234 4.550 0.007 0.000 0.260 454 Y C 2.570 178.437 175.900 -0.056 0.000 1.118 454 Y CA 1.634 59.662 58.100 -0.120 0.000 1.087 454 Y CB -0.948 37.322 38.460 -0.318 0.000 0.970 454 Y HN -0.006 nan 8.280 nan 0.000 0.481 455 Y N 0.012 120.324 120.300 0.019 0.000 2.651 455 Y HA 0.017 4.571 4.550 0.007 0.000 0.296 455 Y C 2.341 178.246 175.900 0.009 0.000 1.150 455 Y CA 0.894 58.950 58.100 -0.073 0.000 1.348 455 Y CB -0.890 37.577 38.460 0.012 0.000 0.983 455 Y HN 0.306 nan 8.280 nan 0.000 0.555 456 G N -1.163 107.739 108.800 0.170 0.000 2.833 456 G HA2 -0.064 3.901 3.960 0.009 0.000 0.210 456 G HA3 -0.064 3.901 3.960 0.009 0.000 0.210 456 G C 0.281 175.265 174.900 0.140 0.000 1.139 456 G CA -0.276 44.916 45.100 0.154 0.000 0.771 456 G HN 0.307 nan 8.290 nan 0.000 0.535 457 N N -0.210 118.555 118.700 0.108 0.000 2.518 457 N HA 0.240 4.985 4.740 0.009 0.000 0.254 457 N C 0.248 175.811 175.510 0.089 0.000 0.979 457 N CA -0.682 52.438 53.050 0.115 0.000 0.930 457 N CB 0.905 39.449 38.487 0.096 0.000 1.152 457 N HN -0.058 nan 8.380 nan 0.000 0.505 458 F N 3.604 123.540 119.950 -0.025 0.000 2.069 458 F HA -0.140 4.391 4.527 0.008 0.000 0.298 458 F C 2.270 177.998 175.800 -0.120 0.000 1.113 458 F CA 1.575 59.504 58.000 -0.118 0.000 1.214 458 F CB 0.149 38.968 39.000 -0.301 0.000 0.978 458 F HN 0.562 nan 8.300 nan 0.000 0.474 459 E N 0.376 120.540 120.200 -0.060 0.000 2.086 459 E HA -0.264 4.091 4.350 0.009 0.000 0.200 459 E C 2.260 178.836 176.600 -0.039 0.000 1.012 459 E CA 1.481 57.861 56.400 -0.032 0.000 0.812 459 E CB -0.496 29.286 29.700 0.137 0.000 0.743 459 E HN 0.484 nan 8.360 nan 0.000 0.453 460 E N 0.443 120.634 120.200 -0.015 0.000 2.106 460 E HA -0.164 4.192 4.350 0.009 0.000 0.192 460 E C 1.963 178.545 176.600 -0.031 0.000 0.984 460 E CA 0.687 57.099 56.400 0.020 0.000 0.806 460 E CB 0.055 29.793 29.700 0.064 0.000 0.750 460 E HN 0.341 nan 8.360 nan 0.000 0.458 461 E N -0.834 119.234 120.200 -0.220 0.000 2.112 461 E HA -0.112 4.243 4.350 0.009 0.000 0.190 461 E C 1.878 178.357 176.600 -0.203 0.000 0.979 461 E CA 0.187 56.371 56.400 -0.360 0.000 0.814 461 E CB -0.087 29.283 29.700 -0.550 0.000 0.762 461 E HN 0.139 nan 8.360 nan 0.000 0.460 462 F N 1.587 121.215 119.950 -0.536 0.000 2.293 462 F HA -0.082 4.450 4.527 0.008 0.000 0.300 462 F C 2.035 177.729 175.800 -0.177 0.000 1.086 462 F CA 1.231 58.944 58.000 -0.479 0.000 1.375 462 F CB 0.200 38.771 39.000 -0.715 0.000 1.045 462 F HN -0.128 nan 8.300 nan 0.000 0.516 463 R N -0.792 119.714 120.500 0.011 0.000 2.240 463 R HA 0.020 4.365 4.340 0.009 0.000 0.203 463 R C 0.235 176.553 176.300 0.031 0.000 1.011 463 R CA 0.895 57.018 56.100 0.038 0.000 1.007 463 R CB -0.230 30.126 30.300 0.092 0.000 0.911 463 R HN 0.151 nan 8.270 nan 0.000 0.468 464 N N -0.089 118.646 118.700 0.059 0.000 2.610 464 N HA 0.083 4.828 4.740 0.009 0.000 0.307 464 N C -0.306 175.282 175.510 0.130 0.000 1.813 464 N CA -0.181 52.939 53.050 0.118 0.000 0.901 464 N CB 0.262 38.861 38.487 0.188 0.000 1.354 464 N HN -0.066 nan 8.380 nan 0.000 0.491 465 F N 0.276 120.098 119.950 -0.214 0.000 2.010 465 F HA 0.056 4.588 4.527 0.008 0.000 0.296 465 F C 0.059 175.581 175.800 -0.463 0.000 1.146 465 F CA 1.452 59.178 58.000 -0.457 0.000 1.181 465 F CB -0.059 38.494 39.000 -0.745 0.000 0.965 465 F HN 0.147 nan 8.300 nan 0.000 0.480 466 W N 3.388 124.547 121.300 -0.234 0.000 2.357 466 W HA 0.231 4.896 4.660 0.009 0.000 0.317 466 W C 0.278 176.668 176.519 -0.216 0.000 1.101 466 W CA -0.876 56.130 57.345 -0.564 0.000 1.380 466 W CB -0.169 28.771 29.460 -0.867 0.000 1.266 466 W HN 0.094 nan 8.180 nan 0.000 0.419 467 N N 0.968 119.676 118.700 0.013 0.000 2.530 467 N HA 0.162 4.907 4.740 0.009 0.000 0.283 467 N C 0.770 176.417 175.510 0.229 0.000 1.238 467 N CA -0.674 52.445 53.050 0.115 0.000 0.971 467 N CB 0.526 38.991 38.487 -0.037 0.000 1.195 467 N HN 0.359 nan 8.380 nan 0.000 0.583 468 N N 0.113 118.945 118.700 0.221 0.000 2.132 468 N HA -0.197 4.548 4.740 0.009 0.000 0.191 468 N C 1.242 176.931 175.510 0.297 0.000 1.015 468 N CA 1.943 55.170 53.050 0.295 0.000 0.864 468 N CB -0.098 38.510 38.487 0.201 0.000 1.006 468 N HN 0.509 nan 8.380 nan 0.000 0.430 469 S N 0.103 115.907 115.700 0.175 0.000 2.356 469 S HA -0.069 4.407 4.470 0.009 0.000 0.223 469 S C 1.579 176.312 174.600 0.222 0.000 1.032 469 S CA 1.000 59.352 58.200 0.254 0.000 1.005 469 S CB -0.446 62.886 63.200 0.222 0.000 0.867 469 S HN 0.484 nan 8.310 nan 0.000 0.449 470 N N 0.789 119.530 118.700 0.069 0.000 2.084 470 N HA -0.089 4.657 4.740 0.009 0.000 0.190 470 N C 1.554 176.892 175.510 -0.287 0.000 1.030 470 N CA 1.350 54.298 53.050 -0.170 0.000 0.849 470 N CB -0.556 37.795 38.487 -0.227 0.000 1.012 470 N HN 0.446 nan 8.380 nan 0.000 0.423 471 Y N 0.169 120.408 120.300 -0.101 0.000 2.181 471 Y HA -0.142 4.413 4.550 0.008 0.000 0.288 471 Y C 2.274 177.940 175.900 -0.391 0.000 1.146 471 Y CA 0.980 58.966 58.100 -0.189 0.000 1.164 471 Y CB -0.753 37.574 38.460 -0.222 0.000 0.982 471 Y HN 0.067 nan 8.280 nan 0.000 0.515 472 Y N -1.416 118.795 120.300 -0.149 0.000 2.145 472 Y HA -0.284 4.272 4.550 0.009 0.000 0.286 472 Y C 2.706 178.289 175.900 -0.528 0.000 1.145 472 Y CA 1.389 59.233 58.100 -0.427 0.000 1.148 472 Y CB -0.818 37.261 38.460 -0.636 0.000 0.981 472 Y HN 0.122 nan 8.280 nan 0.000 0.507 473 C N -1.179 118.110 119.300 -0.018 0.000 2.398 473 C HA -0.196 4.269 4.460 0.009 0.000 0.276 473 C C 2.755 177.543 174.990 -0.338 0.000 1.222 473 C CA 1.282 60.334 59.018 0.058 0.000 1.746 473 C CB -1.191 26.513 27.740 -0.060 0.000 2.039 473 C HN 0.364 nan 8.230 nan 0.000 0.470 474 V N 0.498 120.085 119.914 -0.545 0.000 2.302 474 V HA -0.147 3.979 4.120 0.009 0.000 0.243 474 V C 2.287 177.889 176.094 -0.821 0.000 1.036 474 V CA 1.730 63.541 62.300 -0.814 0.000 1.020 474 V CB -0.659 30.507 31.823 -1.094 0.000 0.657 474 V HN 0.514 nan 8.190 nan 0.000 0.453 475 L N 0.317 121.108 121.223 -0.720 0.000 2.005 475 L HA -0.121 4.224 4.340 0.009 0.000 0.207 475 L C 2.766 179.281 176.870 -0.592 0.000 1.072 475 L CA 1.737 56.130 54.840 -0.745 0.000 0.744 475 L CB -0.911 40.478 42.059 -1.117 0.000 0.895 475 L HN 0.353 nan 8.230 nan 0.000 0.433 476 A N 0.372 122.878 122.820 -0.523 0.000 1.930 476 A HA -0.093 4.233 4.320 0.009 0.000 0.217 476 A C 2.394 179.737 177.584 -0.401 0.000 1.175 476 A CA 1.609 53.453 52.037 -0.321 0.000 0.627 476 A CB -1.200 17.608 19.000 -0.319 0.000 0.815 476 A HN 0.455 nan 8.150 nan 0.000 0.443 477 G N -0.121 108.245 108.800 -0.723 0.000 2.418 477 G HA2 -0.163 3.802 3.960 0.009 0.000 0.217 477 G HA3 -0.163 3.802 3.960 0.009 0.000 0.217 477 G C 1.477 175.621 174.900 -1.261 0.000 1.158 477 G CA 1.035 45.330 45.100 -1.343 0.000 0.771 477 G HN 0.444 nan 8.290 nan 0.000 0.545 478 L N -0.047 120.593 121.223 -0.972 0.000 2.376 478 L HA 0.211 4.556 4.340 0.009 0.000 0.219 478 L C 2.186 178.927 176.870 -0.215 0.000 1.133 478 L CA 0.770 55.350 54.840 -0.432 0.000 0.816 478 L CB 0.050 41.937 42.059 -0.287 0.000 0.933 478 L HN 0.465 nan 8.230 nan 0.000 0.449 479 G N -0.097 108.566 108.800 -0.228 0.000 2.205 479 G HA2 -0.210 3.755 3.960 0.009 0.000 0.180 479 G HA3 -0.210 3.755 3.960 0.009 0.000 0.180 479 G C -0.222 174.633 174.900 -0.075 0.000 1.004 479 G CA -0.344 44.702 45.100 -0.090 0.000 0.670 479 G HN 0.088 nan 8.290 nan 0.000 0.496 480 L N 2.479 123.602 121.223 -0.167 0.000 2.281 480 L HA 0.728 5.073 4.340 0.009 0.000 0.285 480 L C 0.476 177.285 176.870 -0.102 0.000 1.074 480 L CA -0.652 54.078 54.840 -0.183 0.000 0.817 480 L CB 1.374 43.150 42.059 -0.472 0.000 1.168 480 L HN 0.696 nan 8.230 nan 0.000 0.434 481 V N 3.080 122.931 119.914 -0.106 0.000 3.102 481 V HA 0.774 4.899 4.120 0.009 0.000 0.312 481 V C -2.561 173.182 176.094 -0.585 0.000 1.135 481 V CA -2.378 59.705 62.300 -0.362 0.000 1.022 481 V CB 1.319 32.969 31.823 -0.290 0.000 1.056 481 V HN 0.634 nan 8.190 nan 0.000 0.436 482 P HA 0.176 nan 4.420 nan 0.000 0.269 482 P C -0.058 177.062 177.300 -0.300 0.000 1.217 482 P CA 0.104 62.716 63.100 -0.813 0.000 0.783 482 P CB 0.431 31.570 31.700 -0.934 0.000 0.898 483 D N -0.255 120.055 120.400 -0.151 0.000 2.178 483 D HA 0.035 4.681 4.640 0.009 0.000 0.202 483 D C 0.696 177.029 176.300 0.056 0.000 0.974 483 D CA 1.447 55.446 54.000 -0.001 0.000 0.841 483 D CB 0.021 40.804 40.800 -0.028 0.000 0.953 483 D HN 0.427 nan 8.370 nan 0.000 0.478 484 A N -0.531 122.252 122.820 -0.062 0.000 2.610 484 A HA 0.555 4.880 4.320 0.009 0.000 0.291 484 A C -2.778 174.655 177.584 -0.252 0.000 1.086 484 A CA -1.206 50.594 52.037 -0.394 0.000 0.677 484 A CB 0.878 19.674 19.000 -0.339 0.000 1.278 484 A HN -0.223 nan 8.150 nan 0.000 0.414 485 P HA 0.159 nan 4.420 nan 0.000 0.269 485 P C 0.108 177.296 177.300 -0.186 0.000 1.217 485 P CA 0.095 63.029 63.100 -0.275 0.000 0.783 485 P CB 0.534 31.990 31.700 -0.407 0.000 0.898 486 S N 2.862 118.475 115.700 -0.145 0.000 2.546 486 S HA 0.038 4.513 4.470 0.009 0.000 0.290 486 S C -1.339 173.200 174.600 -0.102 0.000 1.262 486 S CA -0.778 57.342 58.200 -0.135 0.000 1.083 486 S CB -0.572 62.563 63.200 -0.108 0.000 0.859 486 S HN 0.242 nan 8.310 nan 0.000 0.495 487 P HA -0.142 nan 4.420 nan 0.000 0.217 487 P C 1.537 178.860 177.300 0.038 0.000 1.151 487 P CA 1.006 64.087 63.100 -0.032 0.000 0.849 487 P CB 0.085 31.783 31.700 -0.003 0.000 0.787 488 R N -0.354 120.173 120.500 0.046 0.000 2.127 488 R HA -0.100 4.245 4.340 0.009 0.000 0.238 488 R C 2.148 178.475 176.300 0.046 0.000 1.134 488 R CA 1.048 57.203 56.100 0.092 0.000 0.975 488 R CB -0.832 29.490 30.300 0.037 0.000 0.865 488 R HN 0.238 nan 8.270 nan 0.000 0.447 489 L N -0.209 120.982 121.223 -0.052 0.000 2.079 489 L HA -0.167 4.178 4.340 0.009 0.000 0.210 489 L C 2.513 179.328 176.870 -0.092 0.000 1.081 489 L CA 1.288 56.065 54.840 -0.104 0.000 0.752 489 L CB -0.560 41.394 42.059 -0.174 0.000 0.896 489 L HN 0.241 nan 8.230 nan 0.000 0.433 490 A N -1.361 121.370 122.820 -0.148 0.000 2.121 490 A HA -0.171 4.154 4.320 0.009 0.000 0.218 490 A C 1.739 179.135 177.584 -0.314 0.000 1.154 490 A CA 1.093 52.984 52.037 -0.243 0.000 0.679 490 A CB -0.589 18.211 19.000 -0.334 0.000 0.795 490 A HN 0.465 nan 8.150 nan 0.000 0.458 491 H N -1.797 117.251 119.070 -0.037 0.000 2.549 491 H HA 0.325 4.886 4.556 0.008 0.000 0.279 491 H C -0.052 175.263 175.328 -0.022 0.000 1.018 491 H CA 0.227 56.259 56.048 -0.028 0.000 1.175 491 H CB 0.182 29.926 29.762 -0.029 0.000 1.485 491 H HN 0.463 nan 8.280 nan 0.000 0.543 492 M N 1.749 121.380 119.600 0.052 0.000 3.062 492 M HA 0.169 4.654 4.480 0.009 0.000 0.270 492 M C -1.782 174.541 176.300 0.038 0.000 1.270 492 M CA -1.450 53.875 55.300 0.041 0.000 0.702 492 M CB 1.673 34.293 32.600 0.034 0.000 1.398 492 M HN -0.115 nan 8.290 nan 0.000 0.490 493 P HA -0.258 nan 4.420 nan 0.000 0.216 493 P C 1.206 178.533 177.300 0.045 0.000 1.150 493 P CA 1.563 64.681 63.100 0.029 0.000 0.843 493 P CB 0.169 31.878 31.700 0.015 0.000 0.787 494 Q N -0.049 119.773 119.800 0.036 0.000 2.119 494 Q HA -0.116 4.229 4.340 0.009 0.000 0.201 494 Q C 2.156 178.184 176.000 0.048 0.000 0.972 494 Q CA 1.742 57.565 55.803 0.034 0.000 0.847 494 Q CB -0.483 28.264 28.738 0.016 0.000 0.903 494 Q HN 0.147 nan 8.270 nan 0.000 0.433 495 A N 0.474 123.323 122.820 0.049 0.000 1.854 495 A HA -0.130 4.195 4.320 0.009 0.000 0.214 495 A C 2.237 179.970 177.584 0.249 0.000 1.192 495 A CA 1.730 53.800 52.037 0.057 0.000 0.611 495 A CB -1.109 17.925 19.000 0.057 0.000 0.832 495 A HN 0.620 nan 8.150 nan 0.000 0.442 496 T N -2.713 112.002 114.554 0.269 0.000 3.155 496 T HA -0.008 4.347 4.350 0.009 0.000 0.264 496 T C 1.325 176.153 174.700 0.213 0.000 1.160 496 T CA 1.576 63.865 62.100 0.316 0.000 1.075 496 T CB 0.024 69.002 68.868 0.183 0.000 0.921 496 T HN 0.400 nan 8.240 nan 0.000 0.533 497 E N 1.788 122.081 120.200 0.155 0.000 2.132 497 E HA 0.061 4.416 4.350 0.009 0.000 0.193 497 E C 2.403 179.067 176.600 0.107 0.000 0.951 497 E CA 0.954 57.420 56.400 0.110 0.000 0.843 497 E CB -0.051 29.693 29.700 0.074 0.000 0.807 497 E HN 0.631 nan 8.360 nan 0.000 0.467 498 S N -0.187 115.589 115.700 0.127 0.000 2.489 498 S HA -0.046 4.429 4.470 0.009 0.000 0.228 498 S C 2.062 176.692 174.600 0.051 0.000 0.995 498 S CA 0.649 58.914 58.200 0.109 0.000 0.934 498 S CB -0.115 63.169 63.200 0.139 0.000 0.771 498 S HN 0.114 nan 8.310 nan 0.000 0.522 499 V N 2.519 122.494 119.914 0.101 0.000 2.453 499 V HA -0.259 3.866 4.120 0.009 0.000 0.252 499 V C 1.991 177.924 176.094 -0.269 0.000 1.068 499 V CA 2.491 64.605 62.300 -0.310 0.000 1.070 499 V CB -1.011 30.680 31.823 -0.220 0.000 0.664 499 V HN 0.435 nan 8.190 nan 0.000 0.461 500 D N -0.062 120.342 120.400 0.006 0.000 2.149 500 D HA -0.235 4.411 4.640 0.009 0.000 0.198 500 D C 2.192 178.500 176.300 0.013 0.000 0.990 500 D CA 1.625 55.690 54.000 0.109 0.000 0.839 500 D CB -0.165 40.700 40.800 0.109 0.000 0.948 500 D HN 0.872 nan 8.370 nan 0.000 0.460 501 E N -0.025 120.132 120.200 -0.071 0.000 2.085 501 E HA -0.193 4.162 4.350 0.009 0.000 0.194 501 E C 2.002 178.516 176.600 -0.144 0.000 0.994 501 E CA 1.235 57.583 56.400 -0.087 0.000 0.801 501 E CB -0.382 29.261 29.700 -0.096 0.000 0.743 501 E HN 0.141 nan 8.360 nan 0.000 0.453 502 V N 0.628 120.358 119.914 -0.306 0.000 2.261 502 V HA -0.232 3.893 4.120 0.009 0.000 0.246 502 V C 2.246 178.196 176.094 -0.239 0.000 1.047 502 V CA 1.934 64.003 62.300 -0.386 0.000 1.015 502 V CB -0.737 30.657 31.823 -0.716 0.000 0.642 502 V HN 0.192 nan 8.190 nan 0.000 0.446 503 F N 1.560 121.432 119.950 -0.130 0.000 2.161 503 F HA -0.077 4.456 4.527 0.010 0.000 0.300 503 F C 2.380 178.153 175.800 -0.044 0.000 1.089 503 F CA 1.406 59.369 58.000 -0.063 0.000 1.282 503 F CB -1.410 37.584 39.000 -0.010 0.000 1.010 503 F HN 0.200 nan 8.300 nan 0.000 0.485 504 G N -0.806 108.076 108.800 0.136 0.000 2.408 504 G HA2 -0.114 3.851 3.960 0.009 0.000 0.217 504 G HA3 -0.114 3.851 3.960 0.009 0.000 0.217 504 G C 1.917 176.836 174.900 0.031 0.000 1.150 504 G CA 0.736 45.879 45.100 0.072 0.000 0.776 504 G HN 0.454 nan 8.290 nan 0.000 0.542 505 A N 0.666 123.482 122.820 -0.007 0.000 1.933 505 A HA 0.015 4.340 4.320 0.009 0.000 0.218 505 A C 2.700 180.274 177.584 -0.017 0.000 1.175 505 A CA 2.530 54.550 52.037 -0.028 0.000 0.628 505 A CB -0.772 18.187 19.000 -0.070 0.000 0.814 505 A HN 0.930 nan 8.150 nan 0.000 0.444 506 V N -2.993 116.917 119.914 -0.006 0.000 2.453 506 V HA -0.108 4.017 4.120 0.009 0.000 0.247 506 V C 2.015 178.123 176.094 0.023 0.000 1.048 506 V CA 2.034 64.333 62.300 -0.001 0.000 1.049 506 V CB -0.685 31.140 31.823 0.004 0.000 0.672 506 V HN 0.282 nan 8.190 nan 0.000 0.457 507 K N 0.686 121.113 120.400 0.046 0.000 2.097 507 K HA -0.129 4.196 4.320 0.009 0.000 0.206 507 K C 1.939 178.557 176.600 0.030 0.000 1.049 507 K CA 1.848 58.164 56.287 0.047 0.000 0.933 507 K CB -0.590 31.944 32.500 0.056 0.000 0.717 507 K HN 0.604 nan 8.250 nan 0.000 0.442 508 D N 0.215 120.628 120.400 0.020 0.000 2.084 508 D HA -0.140 4.505 4.640 0.009 0.000 0.196 508 D C 2.025 178.329 176.300 0.007 0.000 0.985 508 D CA 0.846 54.854 54.000 0.012 0.000 0.826 508 D CB -0.202 40.602 40.800 0.006 0.000 0.978 508 D HN 0.031 nan 8.370 nan 0.000 0.456 509 R N 1.239 121.739 120.500 0.000 0.000 2.119 509 R HA -0.216 4.130 4.340 0.009 0.000 0.246 509 R C 2.247 178.545 176.300 -0.004 0.000 1.146 509 R CA 2.112 58.209 56.100 -0.006 0.000 0.962 509 R CB -0.464 29.828 30.300 -0.013 0.000 0.863 509 R HN 0.402 nan 8.270 nan 0.000 0.442 510 Q N -0.909 118.892 119.800 0.002 0.000 2.245 510 Q HA -0.066 4.279 4.340 0.009 0.000 0.201 510 Q C 1.835 177.842 176.000 0.012 0.000 0.955 510 Q CA 0.798 56.602 55.803 0.003 0.000 0.870 510 Q CB -0.124 28.619 28.738 0.009 0.000 0.945 510 Q HN 0.299 nan 8.270 nan 0.000 0.461 511 R N 0.757 121.267 120.500 0.017 0.000 2.092 511 R HA -0.053 4.292 4.340 0.009 0.000 0.231 511 R C 2.204 178.511 176.300 0.012 0.000 1.119 511 R CA 1.293 57.404 56.100 0.019 0.000 0.970 511 R CB -0.353 29.960 30.300 0.021 0.000 0.864 511 R HN 0.432 nan 8.270 nan 0.000 0.440 512 N N 1.393 120.097 118.700 0.006 0.000 2.171 512 N HA -0.104 4.641 4.740 0.009 0.000 0.184 512 N C 1.814 177.323 175.510 -0.003 0.000 1.021 512 N CA 1.073 54.124 53.050 0.002 0.000 0.854 512 N CB 0.068 38.554 38.487 -0.001 0.000 0.994 512 N HN 0.168 nan 8.380 nan 0.000 0.426 513 L N 0.536 121.754 121.223 -0.008 0.000 2.093 513 L HA -0.111 4.234 4.340 0.009 0.000 0.208 513 L C 2.354 179.216 176.870 -0.013 0.000 1.085 513 L CA 0.427 55.256 54.840 -0.017 0.000 0.755 513 L CB -0.378 41.665 42.059 -0.026 0.000 0.904 513 L HN 0.172 nan 8.230 nan 0.000 0.435 514 L N -0.312 120.910 121.223 -0.002 0.000 2.362 514 L HA -0.151 4.194 4.340 0.009 0.000 0.219 514 L C 2.050 178.927 176.870 0.011 0.000 1.134 514 L CA 1.702 56.547 54.840 0.008 0.000 0.807 514 L CB -0.345 41.727 42.059 0.021 0.000 0.927 514 L HN 0.233 nan 8.230 nan 0.000 0.447 515 E N -1.831 118.373 120.200 0.007 0.000 2.244 515 E HA -0.023 4.332 4.350 0.009 0.000 0.196 515 E C 1.803 178.405 176.600 0.004 0.000 0.939 515 E CA 0.953 57.358 56.400 0.008 0.000 0.884 515 E CB 0.156 29.861 29.700 0.009 0.000 0.850 515 E HN 0.604 nan 8.360 nan 0.000 0.481 516 T N -0.965 113.587 114.554 -0.002 0.000 3.051 516 T HA 0.179 4.534 4.350 0.009 0.000 0.255 516 T C 0.930 175.623 174.700 -0.012 0.000 1.085 516 T CA -0.141 61.956 62.100 -0.006 0.000 1.109 516 T CB -0.021 68.842 68.868 -0.008 0.000 0.921 516 T HN -0.114 nan 8.240 nan 0.000 0.488 517 L N 3.581 124.792 121.223 -0.020 0.000 2.380 517 L HA 0.393 4.738 4.340 0.009 0.000 0.273 517 L C -1.998 174.859 176.870 -0.021 0.000 1.138 517 L CA -2.233 52.585 54.840 -0.035 0.000 0.832 517 L CB 0.693 42.719 42.059 -0.056 0.000 1.124 517 L HN 0.127 nan 8.230 nan 0.000 0.454 518 P HA 0.142 nan 4.420 nan 0.000 0.281 518 P C -0.637 176.666 177.300 0.005 0.000 1.249 518 P CA -0.577 62.526 63.100 0.006 0.000 0.810 518 P CB 1.420 33.138 31.700 0.030 0.000 1.008 519 S N 1.808 117.526 115.700 0.031 0.000 2.569 519 S HA -0.050 4.425 4.470 0.009 0.000 0.274 519 S C 1.338 175.974 174.600 0.060 0.000 1.353 519 S CA -0.482 57.748 58.200 0.050 0.000 1.023 519 S CB -0.087 63.168 63.200 0.091 0.000 0.876 519 S HN 0.435 nan 8.310 nan 0.000 0.540 520 L N 1.182 122.439 121.223 0.057 0.000 2.046 520 L HA -0.056 4.289 4.340 0.009 0.000 0.208 520 L C 2.395 179.374 176.870 0.182 0.000 1.077 520 L CA 2.508 57.387 54.840 0.065 0.000 0.747 520 L CB -1.537 40.546 42.059 0.040 0.000 0.896 520 L HN 1.044 nan 8.230 nan 0.000 0.432 521 H N -0.017 119.100 119.070 0.078 0.000 2.319 521 H HA -0.221 4.340 4.556 0.009 0.000 0.299 521 H C 2.206 177.585 175.328 0.084 0.000 1.092 521 H CA 2.292 58.393 56.048 0.089 0.000 1.302 521 H CB -0.221 29.586 29.762 0.075 0.000 1.373 521 H HN 0.610 nan 8.280 nan 0.000 0.497 522 E N -1.080 119.096 120.200 -0.040 0.000 2.049 522 E HA -0.237 4.118 4.350 0.009 0.000 0.198 522 E C 2.091 178.661 176.600 -0.048 0.000 1.007 522 E CA 1.475 57.807 56.400 -0.113 0.000 0.809 522 E CB -0.415 29.276 29.700 -0.016 0.000 0.749 522 E HN 0.498 nan 8.360 nan 0.000 0.450 523 F N 0.968 120.859 119.950 -0.098 0.000 2.134 523 F HA -0.126 4.405 4.527 0.008 0.000 0.299 523 F C 1.967 177.735 175.800 -0.052 0.000 1.097 523 F CA 1.161 59.098 58.000 -0.106 0.000 1.264 523 F CB -0.105 38.786 39.000 -0.181 0.000 1.001 523 F HN 0.014 nan 8.300 nan 0.000 0.479 524 L N -0.058 121.238 121.223 0.121 0.000 2.042 524 L HA -0.240 4.105 4.340 0.009 0.000 0.210 524 L C 2.692 179.590 176.870 0.047 0.000 1.076 524 L CA 1.313 56.255 54.840 0.170 0.000 0.749 524 L CB -0.643 41.606 42.059 0.316 0.000 0.893 524 L HN 0.093 nan 8.230 nan 0.000 0.432 525 R N -0.285 120.181 120.500 -0.056 0.000 2.088 525 R HA -0.259 4.086 4.340 0.009 0.000 0.232 525 R C 2.232 178.460 176.300 -0.119 0.000 1.136 525 R CA 2.035 58.084 56.100 -0.084 0.000 0.926 525 R CB -0.687 29.502 30.300 -0.185 0.000 0.837 525 R HN 0.452 nan 8.270 nan 0.000 0.429 526 Q N 0.965 120.637 119.800 -0.214 0.000 2.045 526 Q HA -0.314 4.031 4.340 0.009 0.000 0.206 526 Q C 2.255 178.063 176.000 -0.320 0.000 0.991 526 Q CA 2.247 57.893 55.803 -0.261 0.000 0.851 526 Q CB -0.100 28.439 28.738 -0.331 0.000 0.911 526 Q HN 0.195 nan 8.270 nan 0.000 0.418 527 Q N 0.347 119.842 119.800 -0.507 0.000 2.096 527 Q HA -0.188 4.157 4.340 0.009 0.000 0.208 527 Q C -0.082 175.677 176.000 -0.402 0.000 0.993 527 Q CA 1.973 57.467 55.803 -0.516 0.000 0.862 527 Q CB -0.281 28.128 28.738 -0.548 0.000 0.915 527 Q HN 0.580 nan 8.270 nan 0.000 0.416 528 H N 0.211 119.201 119.070 -0.134 0.000 2.726 528 H HA 0.469 5.031 4.556 0.009 0.000 0.244 528 H C 0.336 175.621 175.328 -0.071 0.000 1.669 528 H CA 0.158 56.157 56.048 -0.080 0.000 1.293 528 H CB -0.061 29.681 29.762 -0.034 0.000 1.640 528 H HN 0.587 nan 8.280 nan 0.000 0.553 529 G N 0.000 108.788 108.800 -0.021 0.000 5.446 529 G HA2 0.000 3.965 3.960 0.009 0.000 0.244 529 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 529 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 529 G HN 0.000 nan 8.290 nan 0.000 0.925