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 2jfh_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAXLR DATA SEQUENCE IYENAKVcVV NADDALTMPI XXXXXRcVSF GVNMGDYHLN XXXXETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELGSHH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.333 177.584 -0.419 0.000 1.274 1 A CA 0.000 51.873 52.037 -0.273 0.000 0.836 1 A CB 0.000 18.825 19.000 -0.292 0.000 0.831 2 D N 0.326 120.400 120.400 -0.542 0.000 2.696 2 D HA 0.593 5.015 4.640 -0.363 0.000 0.251 2 D C -0.769 175.272 176.300 -0.431 0.000 1.188 2 D CA -0.121 53.656 54.000 -0.372 0.000 0.876 2 D CB 0.899 41.592 40.800 -0.179 0.000 1.334 2 D HN 0.389 nan 8.370 nan 0.000 0.540 3 Y N 1.123 121.469 120.300 0.076 0.000 2.467 3 Y HA 0.231 4.811 4.550 0.050 0.000 0.250 3 Y C 1.207 177.162 175.900 0.093 0.000 1.155 3 Y CA -0.424 57.761 58.100 0.142 0.000 1.249 3 Y CB 0.404 39.055 38.460 0.320 0.000 1.146 3 Y HN 0.228 nan 8.280 nan 0.000 0.524 4 Q N 0.553 120.435 119.800 0.136 0.000 2.315 4 Q HA 0.140 4.262 4.340 -0.363 0.000 0.289 4 Q C 1.165 177.204 176.000 0.064 0.000 1.044 4 Q CA 1.251 57.106 55.803 0.088 0.000 0.920 4 Q CB 0.557 29.317 28.738 0.038 0.000 1.214 4 Q HN 0.717 nan 8.270 nan 0.000 0.392 5 G N 2.412 111.242 108.800 0.050 0.000 2.184 5 G HA2 -0.234 3.508 3.960 -0.363 0.000 0.264 5 G HA3 -0.234 3.508 3.960 -0.363 0.000 0.264 5 G C -0.158 174.757 174.900 0.026 0.000 0.975 5 G CA -0.015 45.101 45.100 0.026 0.000 0.642 5 G HN 0.424 nan 8.290 nan 0.000 0.536 6 K N 0.674 121.107 120.400 0.054 0.000 2.205 6 K HA 0.258 4.360 4.320 -0.363 0.000 0.279 6 K C -0.053 176.532 176.600 -0.025 0.000 1.027 6 K CA -0.849 55.463 56.287 0.042 0.000 0.932 6 K CB 0.938 33.514 32.500 0.127 0.000 1.032 6 K HN 0.198 nan 8.250 nan 0.000 0.466 7 N N 2.900 121.568 118.700 -0.053 0.000 2.402 7 N HA 0.061 4.583 4.740 -0.363 0.000 0.252 7 N C -1.119 174.304 175.510 -0.144 0.000 1.118 7 N CA -0.095 52.889 53.050 -0.110 0.000 0.945 7 N CB 0.411 38.837 38.487 -0.103 0.000 1.147 7 N HN 0.138 nan 8.380 nan 0.000 0.495 8 V N 3.592 123.366 119.914 -0.233 0.000 2.483 8 V HA 0.434 4.336 4.120 -0.363 0.000 0.295 8 V C 0.147 176.061 176.094 -0.300 0.000 1.035 8 V CA -0.792 61.303 62.300 -0.342 0.000 0.896 8 V CB 1.826 33.213 31.823 -0.728 0.000 0.986 8 V HN 0.278 nan 8.190 nan 0.000 0.447 9 V N 6.032 125.816 119.914 -0.217 0.000 2.531 9 V HA 0.523 4.425 4.120 -0.363 0.000 0.301 9 V C -0.373 175.666 176.094 -0.091 0.000 1.034 9 V CA -0.399 61.829 62.300 -0.121 0.000 0.865 9 V CB 1.893 33.696 31.823 -0.033 0.000 0.995 9 V HN 0.691 nan 8.190 nan 0.000 0.424 10 I N 5.655 126.195 120.570 -0.049 0.000 2.354 10 I HA 0.493 4.445 4.170 -0.363 0.000 0.292 10 I C -0.485 175.645 176.117 0.022 0.000 0.989 10 I CA -0.368 60.925 61.300 -0.011 0.000 1.188 10 I CB 1.700 39.707 38.000 0.011 0.000 1.342 10 I HN 0.416 nan 8.210 nan 0.000 0.457 11 I N 5.539 126.113 120.570 0.006 0.000 2.339 11 I HA 0.623 4.575 4.170 -0.363 0.000 0.290 11 I C 0.424 176.541 176.117 0.001 0.000 0.994 11 I CA -0.341 60.957 61.300 -0.003 0.000 1.191 11 I CB 1.338 39.313 38.000 -0.042 0.000 1.343 11 I HN 0.814 nan 8.210 nan 0.000 0.458 12 G N 4.962 113.769 108.800 0.011 0.000 3.225 12 G HA2 -0.089 3.653 3.960 -0.363 0.000 0.686 12 G HA3 -0.089 3.653 3.960 -0.363 0.000 0.686 12 G C -0.945 173.972 174.900 0.028 0.000 1.105 12 G CA -0.837 44.270 45.100 0.013 0.000 0.831 12 G HN 0.496 nan 8.290 nan 0.000 0.578 13 L N 2.449 123.689 121.223 0.029 0.000 2.664 13 L HA 0.871 4.993 4.340 -0.363 0.000 0.166 13 L C 2.010 178.898 176.870 0.031 0.000 1.824 13 L CA 1.014 55.875 54.840 0.035 0.000 3.021 13 L CB -0.331 41.748 42.059 0.035 0.000 2.992 13 L HN 2.443 nan 8.230 nan 0.000 0.755 14 G N -0.679 108.138 108.800 0.029 0.000 2.804 14 G HA2 -0.314 3.428 3.960 -0.363 0.000 0.230 14 G HA3 -0.314 3.428 3.960 -0.363 0.000 0.230 14 G C 0.205 175.122 174.900 0.029 0.000 1.386 14 G CA 0.130 45.246 45.100 0.027 0.000 0.875 14 G HN 0.569 nan 8.290 nan 0.000 0.557 15 L N -0.135 121.103 121.223 0.026 0.000 2.079 15 L HA -0.004 4.118 4.340 -0.363 0.000 0.210 15 L C 3.113 180.000 176.870 0.029 0.000 1.081 15 L CA 3.449 58.306 54.840 0.027 0.000 0.752 15 L CB -0.652 41.420 42.059 0.022 0.000 0.896 15 L HN 0.818 nan 8.230 nan 0.000 0.433 16 T N -1.184 113.384 114.554 0.024 0.000 2.732 16 T HA -0.074 4.058 4.350 -0.363 0.000 0.261 16 T C 1.689 176.406 174.700 0.029 0.000 1.040 16 T CA 1.141 63.252 62.100 0.018 0.000 1.145 16 T CB -0.758 68.118 68.868 0.013 0.000 0.866 16 T HN 0.558 nan 8.240 nan 0.000 0.427 17 G N 1.441 110.262 108.800 0.035 0.000 2.476 17 G HA2 -0.186 3.557 3.960 -0.363 0.000 0.218 17 G HA3 -0.186 3.557 3.960 -0.363 0.000 0.218 17 G C 1.505 176.445 174.900 0.066 0.000 1.164 17 G CA 0.716 45.844 45.100 0.048 0.000 0.768 17 G HN 0.436 nan 8.290 nan 0.000 0.560 18 L N 1.356 122.614 121.223 0.058 0.000 2.093 18 L HA -0.098 4.024 4.340 -0.363 0.000 0.208 18 L C 3.343 180.260 176.870 0.079 0.000 1.085 18 L CA 1.487 56.367 54.840 0.066 0.000 0.755 18 L CB -0.404 41.687 42.059 0.052 0.000 0.904 18 L HN 0.450 nan 8.230 nan 0.000 0.435 19 S N -1.103 114.637 115.700 0.066 0.000 2.382 19 S HA -0.222 4.030 4.470 -0.363 0.000 0.228 19 S C 2.117 176.778 174.600 0.103 0.000 1.027 19 S CA 1.298 59.542 58.200 0.073 0.000 0.991 19 S CB -1.056 62.170 63.200 0.044 0.000 0.823 19 S HN 0.454 nan 8.310 nan 0.000 0.469 20 C N 1.119 120.476 119.300 0.094 0.000 2.429 20 C HA 0.030 4.272 4.460 -0.363 0.000 0.277 20 C C 2.814 178.002 174.990 0.329 0.000 1.262 20 C CA 0.674 59.788 59.018 0.161 0.000 1.733 20 C CB -1.498 26.335 27.740 0.155 0.000 2.010 20 C HN 0.543 nan 8.230 nan 0.000 0.483 21 V N 1.260 121.315 119.914 0.235 0.000 2.295 21 V HA -0.243 3.659 4.120 -0.363 0.000 0.246 21 V C 2.240 178.458 176.094 0.207 0.000 1.049 21 V CA 2.624 65.058 62.300 0.223 0.000 1.024 21 V CB -0.807 31.093 31.823 0.127 0.000 0.648 21 V HN 0.539 nan 8.190 nan 0.000 0.447 22 D N -0.524 119.969 120.400 0.154 0.000 2.149 22 D HA -0.271 4.152 4.640 -0.363 0.000 0.198 22 D C 1.944 178.312 176.300 0.113 0.000 0.990 22 D CA 1.564 55.633 54.000 0.116 0.000 0.839 22 D CB -0.255 40.602 40.800 0.094 0.000 0.948 22 D HN 0.426 nan 8.370 nan 0.000 0.460 23 F N -0.531 119.399 119.950 -0.033 0.000 2.126 23 F HA -0.135 4.168 4.527 -0.374 0.000 0.299 23 F C 1.709 177.360 175.800 -0.249 0.000 1.096 23 F CA 1.464 59.358 58.000 -0.178 0.000 1.255 23 F CB -0.314 38.496 39.000 -0.317 0.000 0.997 23 F HN -0.030 nan 8.300 nan 0.000 0.479 24 F N 0.006 119.990 119.950 0.055 0.000 2.219 24 F HA -0.047 4.231 4.527 -0.414 0.000 0.294 24 F C 2.122 177.874 175.800 -0.080 0.000 1.086 24 F CA 0.901 58.863 58.000 -0.064 0.000 1.330 24 F CB -0.590 38.419 39.000 0.015 0.000 1.047 24 F HN -0.119 nan 8.300 nan 0.000 0.495 25 L N -0.113 121.193 121.223 0.139 0.000 1.989 25 L HA -0.267 3.855 4.340 -0.363 0.000 0.211 25 L C 2.738 179.609 176.870 0.002 0.000 1.071 25 L CA 1.383 56.262 54.840 0.064 0.000 0.749 25 L CB -1.129 40.966 42.059 0.060 0.000 0.890 25 L HN 0.135 nan 8.230 nan 0.000 0.431 26 A N -0.224 122.573 122.820 -0.039 0.000 2.076 26 A HA -0.208 3.894 4.320 -0.363 0.000 0.220 26 A C 2.237 179.753 177.584 -0.113 0.000 1.160 26 A CA 1.542 53.535 52.037 -0.074 0.000 0.653 26 A CB -0.520 18.428 19.000 -0.087 0.000 0.801 26 A HN 0.366 nan 8.150 nan 0.000 0.455 27 R N -1.492 118.913 120.500 -0.159 0.000 2.334 27 R HA 0.265 4.387 4.340 -0.363 0.000 0.220 27 R C 0.994 177.276 176.300 -0.030 0.000 0.917 27 R CA 0.572 56.591 56.100 -0.134 0.000 1.073 27 R CB 0.010 30.174 30.300 -0.227 0.000 1.056 27 R HN 0.640 nan 8.270 nan 0.000 0.506 28 G N 0.576 109.371 108.800 -0.008 0.000 2.225 28 G HA2 -0.220 3.522 3.960 -0.363 0.000 0.264 28 G HA3 -0.220 3.522 3.960 -0.363 0.000 0.264 28 G C -0.365 174.562 174.900 0.045 0.000 1.060 28 G CA 0.062 45.171 45.100 0.015 0.000 0.833 28 G HN 0.149 nan 8.290 nan 0.000 0.498 29 V N 0.256 120.218 119.914 0.080 0.000 2.569 29 V HA 0.569 4.471 4.120 -0.363 0.000 0.301 29 V C 0.279 176.417 176.094 0.073 0.000 1.044 29 V CA -0.428 61.932 62.300 0.100 0.000 0.874 29 V CB 2.095 34.052 31.823 0.224 0.000 1.002 29 V HN 0.335 nan 8.190 nan 0.000 0.424 30 T N 7.487 122.044 114.554 0.006 0.000 2.727 30 T HA 0.427 4.559 4.350 -0.363 0.000 0.298 30 T C -2.171 172.471 174.700 -0.096 0.000 0.942 30 T CA -0.757 61.328 62.100 -0.024 0.000 0.997 30 T CB 1.124 69.971 68.868 -0.035 0.000 0.917 30 T HN 0.529 nan 8.240 nan 0.000 0.487 31 P HA 0.490 nan 4.420 nan 0.000 0.280 31 P C -0.477 176.716 177.300 -0.178 0.000 1.272 31 P CA -0.960 62.006 63.100 -0.224 0.000 0.819 31 P CB 1.422 32.942 31.700 -0.300 0.000 1.122 32 R N -0.298 120.065 120.500 -0.228 0.000 2.598 32 R HA 0.664 4.786 4.340 -0.363 0.000 0.279 32 R C -0.737 175.562 176.300 -0.002 0.000 0.984 32 R CA -0.984 54.987 56.100 -0.215 0.000 0.999 32 R CB 1.404 31.344 30.300 -0.601 0.000 1.114 32 R HN 0.215 nan 8.270 nan 0.000 0.493 33 V N 3.554 123.577 119.914 0.181 0.000 2.656 33 V HA 0.492 4.394 4.120 -0.363 0.000 0.307 33 V C -0.349 175.918 176.094 0.289 0.000 1.051 33 V CA -0.765 61.648 62.300 0.188 0.000 0.893 33 V CB 1.720 33.616 31.823 0.122 0.000 0.999 33 V HN 0.768 nan 8.190 nan 0.000 0.426 34 M N 2.056 121.768 119.600 0.186 0.000 2.572 34 M HA 0.817 5.079 4.480 -0.363 0.000 0.299 34 M C -1.748 174.591 176.300 0.065 0.000 1.205 34 M CA -0.499 54.882 55.300 0.135 0.000 0.876 34 M CB 2.866 35.515 32.600 0.082 0.000 1.728 34 M HN 0.518 nan 8.290 nan 0.000 0.458 35 D N 0.804 121.234 120.400 0.051 0.000 2.859 35 D HA 0.258 4.680 4.640 -0.363 0.000 0.223 35 D C 0.306 176.615 176.300 0.015 0.000 1.218 35 D CA -0.071 53.942 54.000 0.021 0.000 0.850 35 D CB 2.741 43.553 40.800 0.020 0.000 1.656 35 D HN 0.895 nan 8.370 nan 0.000 0.484 36 T N 0.216 114.772 114.554 0.003 0.000 3.035 36 T HA 0.080 4.212 4.350 -0.363 0.000 0.268 36 T C 1.008 175.710 174.700 0.003 0.000 1.109 36 T CA 0.409 62.515 62.100 0.009 0.000 1.119 36 T CB 0.139 69.017 68.868 0.016 0.000 0.900 36 T HN 0.182 nan 8.240 nan 0.000 0.503 37 R N 0.096 120.595 120.500 -0.001 0.000 2.441 37 R HA 0.489 4.611 4.340 -0.363 0.000 0.284 37 R C 1.106 177.395 176.300 -0.018 0.000 1.070 37 R CA -0.548 55.548 56.100 -0.005 0.000 1.047 37 R CB 0.572 30.873 30.300 0.001 0.000 1.016 37 R HN 0.038 nan 8.270 nan 0.000 0.477 38 M N 1.236 120.821 119.600 -0.024 0.000 2.099 38 M HA -0.087 4.176 4.480 -0.363 0.000 0.262 38 M C 0.693 176.974 176.300 -0.032 0.000 1.067 38 M CA 1.765 57.041 55.300 -0.039 0.000 1.124 38 M CB 0.364 32.942 32.600 -0.037 0.000 1.353 38 M HN 0.693 nan 8.290 nan 0.000 0.410 39 T N -0.758 113.785 114.554 -0.018 0.000 3.401 39 T HA 0.517 4.649 4.350 -0.363 0.000 0.341 39 T C -2.566 172.132 174.700 -0.002 0.000 1.674 39 T CA -1.598 60.495 62.100 -0.011 0.000 1.600 39 T CB -0.121 68.740 68.868 -0.011 0.000 0.974 39 T HN 0.142 nan 8.240 nan 0.000 0.672 40 P HA 0.376 nan 4.420 nan 0.000 0.274 40 P C -2.740 174.567 177.300 0.012 0.000 1.237 40 P CA -1.514 61.591 63.100 0.009 0.000 0.793 40 P CB -0.159 31.549 31.700 0.013 0.000 0.977 41 P HA 0.056 nan 4.420 nan 0.000 0.267 41 P C 1.118 178.430 177.300 0.019 0.000 1.200 41 P CA 1.239 64.348 63.100 0.015 0.000 0.772 41 P CB -0.120 31.589 31.700 0.016 0.000 0.855 42 G N 1.451 110.262 108.800 0.019 0.000 2.267 42 G HA2 -0.370 3.372 3.960 -0.363 0.000 0.257 42 G HA3 -0.370 3.372 3.960 -0.363 0.000 0.257 42 G C 0.935 175.850 174.900 0.026 0.000 0.998 42 G CA 0.399 45.513 45.100 0.024 0.000 0.620 42 G HN 0.586 nan 8.290 nan 0.000 0.529 43 L N 0.734 121.971 121.223 0.023 0.000 2.034 43 L HA -0.172 3.950 4.340 -0.363 0.000 0.217 43 L C 2.505 179.389 176.870 0.023 0.000 1.077 43 L CA 2.803 57.658 54.840 0.024 0.000 0.769 43 L CB -0.380 41.689 42.059 0.016 0.000 0.890 43 L HN 0.394 nan 8.230 nan 0.000 0.435 44 D N -0.247 120.165 120.400 0.019 0.000 2.182 44 D HA -0.192 4.230 4.640 -0.363 0.000 0.201 44 D C 1.888 178.200 176.300 0.020 0.000 0.986 44 D CA 1.132 55.142 54.000 0.017 0.000 0.847 44 D CB -0.087 40.721 40.800 0.014 0.000 0.942 44 D HN 0.468 nan 8.370 nan 0.000 0.467 45 K N 0.259 120.674 120.400 0.024 0.000 2.361 45 K HA 0.022 4.124 4.320 -0.363 0.000 0.196 45 K C 0.867 177.486 176.600 0.030 0.000 1.039 45 K CA -0.345 55.958 56.287 0.026 0.000 1.001 45 K CB -0.064 32.453 32.500 0.028 0.000 0.795 45 K HN 0.108 nan 8.250 nan 0.000 0.495 46 L N 3.793 125.036 121.223 0.033 0.000 2.534 46 L HA 0.053 4.175 4.340 -0.363 0.000 0.271 46 L C -2.335 174.556 176.870 0.034 0.000 1.178 46 L CA -1.584 53.279 54.840 0.039 0.000 0.907 46 L CB -0.021 42.064 42.059 0.043 0.000 1.164 46 L HN -0.106 nan 8.230 nan 0.000 0.482 47 P HA 0.013 nan 4.420 nan 0.000 0.260 47 P C 0.459 177.775 177.300 0.027 0.000 1.207 47 P CA -0.018 63.099 63.100 0.029 0.000 0.780 47 P CB 0.296 32.013 31.700 0.029 0.000 0.789 48 E N 3.679 123.894 120.200 0.025 0.000 2.315 48 E HA -0.356 3.776 4.350 -0.363 0.000 0.215 48 E C 1.460 178.074 176.600 0.024 0.000 1.069 48 E CA 1.819 58.234 56.400 0.025 0.000 0.859 48 E CB -0.856 28.857 29.700 0.020 0.000 0.743 48 E HN 0.431 nan 8.360 nan 0.000 0.469 49 A N 1.605 124.436 122.820 0.018 0.000 2.125 49 A HA -0.005 4.097 4.320 -0.363 0.000 0.219 49 A C 1.454 179.041 177.584 0.005 0.000 1.156 49 A CA 0.995 53.038 52.037 0.010 0.000 0.671 49 A CB -0.194 18.810 19.000 0.007 0.000 0.794 49 A HN 0.262 nan 8.150 nan 0.000 0.459 50 V N 2.107 122.029 119.914 0.015 0.000 2.385 50 V HA 0.287 4.190 4.120 -0.363 0.000 0.269 50 V C 0.071 176.184 176.094 0.032 0.000 1.043 50 V CA -0.912 61.393 62.300 0.008 0.000 0.906 50 V CB 0.687 32.523 31.823 0.022 0.000 0.995 50 V HN 0.635 nan 8.190 nan 0.000 0.467 51 E N 7.688 127.894 120.200 0.010 0.000 2.373 51 E HA 0.410 4.542 4.350 -0.363 0.000 0.267 51 E C -0.474 176.279 176.600 0.255 0.000 1.032 51 E CA -0.714 55.751 56.400 0.107 0.000 0.889 51 E CB 0.733 30.483 29.700 0.083 0.000 0.984 51 E HN 0.721 nan 8.360 nan 0.000 0.425 52 R N 2.321 123.034 120.500 0.354 0.000 2.795 52 R HA 0.434 4.556 4.340 -0.363 0.000 0.275 52 R C -1.810 174.656 176.300 0.277 0.000 0.981 52 R CA -0.981 55.327 56.100 0.347 0.000 0.917 52 R CB 1.064 31.463 30.300 0.165 0.000 1.202 52 R HN 0.872 nan 8.270 nan 0.000 0.469 53 H N 0.744 119.823 119.070 0.015 0.000 2.823 53 H HA 0.459 4.797 4.556 -0.363 0.000 0.332 53 H C -1.086 174.153 175.328 -0.149 0.000 0.980 53 H CA -0.141 55.744 56.048 -0.271 0.000 1.286 53 H CB 1.421 30.704 29.762 -0.800 0.000 1.541 53 H HN 0.952 nan 8.280 nan 0.000 0.521 54 T N 1.295 115.647 114.554 -0.337 0.000 2.926 54 T HA 0.533 4.666 4.350 -0.363 0.000 0.289 54 T C 1.027 175.593 174.700 -0.223 0.000 1.054 54 T CA -0.361 61.636 62.100 -0.172 0.000 1.015 54 T CB 1.572 70.386 68.868 -0.091 0.000 1.167 54 T HN 1.043 nan 8.240 nan 0.000 0.526 55 G N 0.342 109.085 108.800 -0.095 0.000 2.179 55 G HA2 -0.002 3.740 3.960 -0.363 0.000 0.260 55 G HA3 -0.002 3.740 3.960 -0.363 0.000 0.260 55 G C 0.242 175.128 174.900 -0.022 0.000 0.977 55 G CA 0.656 45.715 45.100 -0.069 0.000 0.641 55 G HN 2.293 nan 8.290 nan 0.000 0.533 56 S N -1.722 113.996 115.700 0.029 0.000 2.645 56 S HA 0.605 4.857 4.470 -0.363 0.000 0.268 56 S C -0.748 173.913 174.600 0.103 0.000 1.110 56 S CA -0.830 57.417 58.200 0.078 0.000 0.823 56 S CB 1.058 64.317 63.200 0.097 0.000 1.091 56 S HN 0.900 nan 8.310 nan 0.000 0.466 57 L N 2.116 123.334 121.223 -0.009 0.000 2.349 57 L HA 0.468 4.590 4.340 -0.363 0.000 0.275 57 L C 0.179 176.866 176.870 -0.305 0.000 1.115 57 L CA -0.674 54.079 54.840 -0.145 0.000 0.820 57 L CB 0.515 42.452 42.059 -0.203 0.000 1.135 57 L HN 0.738 nan 8.230 nan 0.000 0.445 58 N N 2.289 120.652 118.700 -0.562 0.000 2.527 58 N HA 0.055 4.577 4.740 -0.363 0.000 0.236 58 N C 0.329 175.652 175.510 -0.311 0.000 0.999 58 N CA -0.256 52.345 53.050 -0.749 0.000 0.935 58 N CB 0.920 38.488 38.487 -1.533 0.000 1.132 58 N HN 0.491 nan 8.380 nan 0.000 0.511 59 D N 2.408 122.696 120.400 -0.186 0.000 2.178 59 D HA -0.158 4.264 4.640 -0.363 0.000 0.201 59 D C 0.944 177.235 176.300 -0.014 0.000 0.980 59 D CA 1.243 55.202 54.000 -0.069 0.000 0.842 59 D CB 0.475 41.251 40.800 -0.041 0.000 0.948 59 D HN 0.692 nan 8.370 nan 0.000 0.472 60 E N -0.107 120.081 120.200 -0.019 0.000 2.085 60 E HA -0.183 3.950 4.350 -0.363 0.000 0.194 60 E C 2.078 178.808 176.600 0.218 0.000 0.994 60 E CA 0.810 57.259 56.400 0.081 0.000 0.801 60 E CB -0.095 29.656 29.700 0.085 0.000 0.743 60 E HN 0.353 nan 8.360 nan 0.000 0.453 61 W N 0.940 122.179 121.300 -0.101 0.000 2.379 61 W HA -0.060 4.386 4.660 -0.356 0.000 0.307 61 W C 2.096 178.565 176.519 -0.084 0.000 1.200 61 W CA 0.532 57.821 57.345 -0.093 0.000 1.297 61 W CB -1.003 28.384 29.460 -0.121 0.000 1.140 61 W HN 0.065 nan 8.180 nan 0.000 0.507 62 L N -0.526 120.785 121.223 0.146 0.000 1.994 62 L HA -0.266 3.856 4.340 -0.363 0.000 0.208 62 L C 2.395 179.286 176.870 0.035 0.000 1.071 62 L CA 1.109 55.982 54.840 0.055 0.000 0.745 62 L CB -0.932 41.132 42.059 0.008 0.000 0.892 62 L HN -0.109 nan 8.230 nan 0.000 0.431 63 M N -0.664 118.957 119.600 0.035 0.000 2.460 63 M HA -0.068 4.194 4.480 -0.363 0.000 0.263 63 M C 2.102 178.415 176.300 0.022 0.000 1.071 63 M CA 1.172 56.486 55.300 0.024 0.000 1.096 63 M CB -1.267 31.347 32.600 0.023 0.000 1.408 63 M HN 0.270 nan 8.290 nan 0.000 0.463 64 A N -0.197 122.639 122.820 0.027 0.000 2.238 64 A HA 0.505 4.607 4.320 -0.363 0.000 0.210 64 A C 1.215 178.788 177.584 -0.019 0.000 1.179 64 A CA 0.291 52.330 52.037 0.005 0.000 0.827 64 A CB -0.340 18.662 19.000 0.003 0.000 0.856 64 A HN 0.348 nan 8.150 nan 0.000 0.488 65 A N 0.149 122.960 122.820 -0.015 0.000 2.407 65 A HA 0.391 4.493 4.320 -0.363 0.000 0.248 65 A C 0.421 177.993 177.584 -0.019 0.000 1.082 65 A CA 0.019 52.036 52.037 -0.033 0.000 0.785 65 A CB 0.251 19.234 19.000 -0.028 0.000 1.020 65 A HN 0.312 nan 8.150 nan 0.000 0.489 66 D N -0.106 120.281 120.400 -0.022 0.000 2.327 66 D HA 0.107 4.529 4.640 -0.363 0.000 0.205 66 D C -0.024 176.291 176.300 0.024 0.000 0.989 66 D CA 0.713 54.717 54.000 0.006 0.000 0.873 66 D CB 0.433 41.242 40.800 0.016 0.000 0.955 66 D HN 0.289 nan 8.370 nan 0.000 0.515 67 L N 1.235 122.459 121.223 0.001 0.000 2.526 67 L HA 0.405 4.527 4.340 -0.363 0.000 0.263 67 L C -1.728 175.123 176.870 -0.033 0.000 0.943 67 L CA -0.421 54.428 54.840 0.015 0.000 0.859 67 L CB 2.319 44.414 42.059 0.060 0.000 1.313 67 L HN -0.236 nan 8.230 nan 0.000 0.406 68 I N 4.816 125.379 120.570 -0.010 0.000 2.378 68 I HA 0.425 4.378 4.170 -0.363 0.000 0.291 68 I C -0.328 175.784 176.117 -0.009 0.000 0.992 68 I CA -0.830 60.456 61.300 -0.023 0.000 1.154 68 I CB 2.124 40.117 38.000 -0.012 0.000 1.315 68 I HN 0.213 nan 8.210 nan 0.000 0.448 69 V N 5.986 125.889 119.914 -0.019 0.000 2.313 69 V HA 0.530 4.432 4.120 -0.363 0.000 0.278 69 V C 0.351 176.446 176.094 0.001 0.000 1.017 69 V CA -0.549 61.756 62.300 0.010 0.000 0.823 69 V CB 1.203 33.054 31.823 0.048 0.000 1.010 69 V HN 0.808 nan 8.190 nan 0.000 0.443 70 A N 3.821 126.640 122.820 -0.002 0.000 2.260 70 A HA 0.649 4.752 4.320 -0.363 0.000 0.308 70 A C 0.527 178.106 177.584 -0.010 0.000 1.254 70 A CA -0.217 51.812 52.037 -0.014 0.000 0.874 70 A CB 0.872 19.860 19.000 -0.021 0.000 1.153 70 A HN 0.878 nan 8.150 nan 0.000 0.527 71 S N 3.770 119.463 115.700 -0.013 0.000 2.563 71 S HA 0.157 4.409 4.470 -0.363 0.000 0.284 71 S C -0.845 173.746 174.600 -0.015 0.000 1.331 71 S CA -0.408 57.788 58.200 -0.006 0.000 1.047 71 S CB 0.398 63.595 63.200 -0.005 0.000 0.859 71 S HN 0.557 nan 8.310 nan 0.000 0.514 72 P HA -0.022 nan 4.420 nan 0.000 0.221 72 P C 1.350 178.604 177.300 -0.076 0.000 1.145 72 P CA 1.499 64.628 63.100 0.049 0.000 0.795 72 P CB -0.519 31.276 31.700 0.159 0.000 0.775 73 G N -0.667 108.096 108.800 -0.061 0.000 2.598 73 G HA2 -0.053 3.689 3.960 -0.363 0.000 0.215 73 G HA3 -0.053 3.689 3.960 -0.363 0.000 0.215 73 G C 0.665 175.458 174.900 -0.179 0.000 1.131 73 G CA -0.114 44.916 45.100 -0.117 0.000 0.785 73 G HN 0.337 nan 8.290 nan 0.000 0.539 74 I N 0.994 121.469 120.570 -0.158 0.000 2.412 74 I HA 0.617 4.569 4.170 -0.363 0.000 0.296 74 I C 0.107 176.119 176.117 -0.176 0.000 0.987 74 I CA -1.219 59.996 61.300 -0.140 0.000 1.180 74 I CB 1.752 39.688 38.000 -0.106 0.000 1.340 74 I HN 0.052 nan 8.210 nan 0.000 0.455 75 A N 7.131 129.865 122.820 -0.144 0.000 2.409 75 A HA 0.271 4.373 4.320 -0.363 0.000 0.262 75 A C 0.963 178.525 177.584 -0.037 0.000 1.113 75 A CA -0.308 51.645 52.037 -0.140 0.000 0.790 75 A CB 0.423 19.347 19.000 -0.127 0.000 1.046 75 A HN 0.961 nan 8.150 nan 0.000 0.496 76 L N 2.238 123.440 121.223 -0.034 0.000 2.129 76 L HA -0.269 3.853 4.340 -0.363 0.000 0.212 76 L C 2.741 179.635 176.870 0.039 0.000 1.087 76 L CA 1.630 56.477 54.840 0.012 0.000 0.757 76 L CB -0.360 41.716 42.059 0.028 0.000 0.896 76 L HN 0.860 nan 8.230 nan 0.000 0.434 77 A N -1.876 120.965 122.820 0.035 0.000 2.216 77 A HA -0.154 3.948 4.320 -0.363 0.000 0.214 77 A C 1.086 178.704 177.584 0.056 0.000 1.160 77 A CA 0.214 52.280 52.037 0.048 0.000 0.725 77 A CB -0.777 18.249 19.000 0.044 0.000 0.784 77 A HN 0.374 nan 8.150 nan 0.000 0.472 78 H N 0.651 119.700 119.070 -0.035 0.000 3.070 78 H HA 0.062 4.401 4.556 -0.361 0.000 0.313 78 H C -1.723 173.593 175.328 -0.020 0.000 0.997 78 H CA -1.360 54.667 56.048 -0.035 0.000 1.438 78 H CB 0.955 30.689 29.762 -0.047 0.000 1.455 78 H HN 0.034 nan 8.280 nan 0.000 0.575 79 P HA -0.169 nan 4.420 nan 0.000 0.216 79 P C 1.613 179.009 177.300 0.160 0.000 1.154 79 P CA 1.677 64.822 63.100 0.075 0.000 0.865 79 P CB 0.288 31.977 31.700 -0.019 0.000 0.789 80 S N -1.104 114.792 115.700 0.327 0.000 2.368 80 S HA -0.087 4.165 4.470 -0.363 0.000 0.225 80 S C 1.806 176.438 174.600 0.054 0.000 1.030 80 S CA 1.001 59.282 58.200 0.134 0.000 0.999 80 S CB -0.954 62.266 63.200 0.032 0.000 0.844 80 S HN 0.118 nan 8.310 nan 0.000 0.459 81 L N 1.418 122.675 121.223 0.057 0.000 2.109 81 L HA -0.071 4.051 4.340 -0.363 0.000 0.207 81 L C 2.720 179.614 176.870 0.039 0.000 1.086 81 L CA 1.263 56.115 54.840 0.019 0.000 0.760 81 L CB -0.638 41.420 42.059 -0.002 0.000 0.910 81 L HN 0.443 nan 8.230 nan 0.000 0.437 82 S N 0.264 116.001 115.700 0.061 0.000 2.356 82 S HA -0.191 4.061 4.470 -0.363 0.000 0.223 82 S C 2.218 176.839 174.600 0.035 0.000 1.032 82 S CA 0.871 59.098 58.200 0.045 0.000 1.005 82 S CB -0.549 62.679 63.200 0.047 0.000 0.867 82 S HN 0.338 nan 8.310 nan 0.000 0.449 83 A N 2.414 125.257 122.820 0.038 0.000 1.927 83 A HA 0.045 4.147 4.320 -0.363 0.000 0.220 83 A C 2.554 180.151 177.584 0.022 0.000 1.185 83 A CA 2.379 54.433 52.037 0.028 0.000 0.639 83 A CB -1.581 17.436 19.000 0.029 0.000 0.820 83 A HN 0.969 nan 8.150 nan 0.000 0.451 84 A N -0.539 122.293 122.820 0.020 0.000 1.872 84 A HA 0.253 4.355 4.320 -0.363 0.000 0.214 84 A C 2.537 180.131 177.584 0.017 0.000 1.187 84 A CA 1.932 53.979 52.037 0.016 0.000 0.614 84 A CB -1.083 17.923 19.000 0.009 0.000 0.826 84 A HN 1.141 nan 8.150 nan 0.000 0.442 85 A N 0.300 123.132 122.820 0.020 0.000 1.908 85 A HA -0.220 3.882 4.320 -0.363 0.000 0.218 85 A C 1.705 179.300 177.584 0.019 0.000 1.181 85 A CA 2.000 54.049 52.037 0.021 0.000 0.627 85 A CB -0.656 18.357 19.000 0.023 0.000 0.818 85 A HN 0.462 nan 8.150 nan 0.000 0.445 86 D N 0.054 120.466 120.400 0.019 0.000 2.178 86 D HA -0.034 4.388 4.640 -0.363 0.000 0.201 86 D C 1.949 178.258 176.300 0.016 0.000 0.980 86 D CA 1.411 55.421 54.000 0.017 0.000 0.842 86 D CB -0.345 40.465 40.800 0.018 0.000 0.948 86 D HN 0.463 nan 8.370 nan 0.000 0.472 87 A N -0.287 122.543 122.820 0.016 0.000 2.206 87 A HA 0.359 4.462 4.320 -0.363 0.000 0.211 87 A C 1.787 179.380 177.584 0.015 0.000 1.158 87 A CA 1.146 53.192 52.037 0.014 0.000 0.761 87 A CB -0.261 18.747 19.000 0.014 0.000 0.801 87 A HN 0.260 nan 8.150 nan 0.000 0.473 88 G N -0.925 107.885 108.800 0.016 0.000 2.136 88 G HA2 -0.219 3.523 3.960 -0.363 0.000 0.242 88 G HA3 -0.219 3.523 3.960 -0.363 0.000 0.242 88 G C 0.057 174.969 174.900 0.019 0.000 0.989 88 G CA 0.179 45.290 45.100 0.017 0.000 0.682 88 G HN 0.481 nan 8.290 nan 0.000 0.522 89 I N 1.181 121.763 120.570 0.019 0.000 2.471 89 I HA 0.217 4.169 4.170 -0.363 0.000 0.286 89 I C 0.981 177.113 176.117 0.025 0.000 1.079 89 I CA -0.320 60.992 61.300 0.020 0.000 1.398 89 I CB 1.033 39.042 38.000 0.015 0.000 1.403 89 I HN 0.256 nan 8.210 nan 0.000 0.530 90 E N 7.042 127.262 120.200 0.033 0.000 2.376 90 E HA 0.235 4.367 4.350 -0.363 0.000 0.266 90 E C -0.976 175.649 176.600 0.041 0.000 1.009 90 E CA -0.069 56.357 56.400 0.044 0.000 0.902 90 E CB 0.638 30.376 29.700 0.064 0.000 0.972 90 E HN 0.439 nan 8.360 nan 0.000 0.439 91 I N 5.972 126.566 120.570 0.039 0.000 2.447 91 I HA 0.287 4.240 4.170 -0.363 0.000 0.287 91 I C -0.311 175.830 176.117 0.040 0.000 1.023 91 I CA -0.800 60.518 61.300 0.031 0.000 1.083 91 I CB 1.564 39.576 38.000 0.021 0.000 1.245 91 I HN 0.365 nan 8.210 nan 0.000 0.434 92 V N 2.723 122.662 119.914 0.042 0.000 3.158 92 V HA 1.028 4.930 4.120 -0.363 0.000 0.311 92 V C -0.233 175.877 176.094 0.027 0.000 1.181 92 V CA -0.452 61.874 62.300 0.044 0.000 1.054 92 V CB 1.673 33.536 31.823 0.067 0.000 1.085 92 V HN 0.704 nan 8.190 nan 0.000 0.446 93 G N -0.138 108.672 108.800 0.018 0.000 2.788 93 G HA2 0.472 4.214 3.960 -0.363 0.000 0.293 93 G HA3 0.472 4.214 3.960 -0.363 0.000 0.293 93 G C 0.285 175.167 174.900 -0.030 0.000 1.305 93 G CA 0.263 45.364 45.100 0.002 0.000 1.005 93 G HN 1.055 nan 8.290 nan 0.000 0.496 94 D N -0.543 119.828 120.400 -0.049 0.000 2.149 94 D HA -0.207 4.215 4.640 -0.363 0.000 0.194 94 D C 1.977 178.222 176.300 -0.093 0.000 1.001 94 D CA 1.109 55.047 54.000 -0.104 0.000 0.849 94 D CB -0.019 40.728 40.800 -0.088 0.000 0.939 94 D HN 0.157 nan 8.370 nan 0.000 0.449 95 I N 1.068 121.606 120.570 -0.054 0.000 2.315 95 I HA -0.159 3.793 4.170 -0.363 0.000 0.248 95 I C 2.531 178.668 176.117 0.034 0.000 1.117 95 I CA 0.919 62.200 61.300 -0.032 0.000 1.404 95 I CB -1.205 36.768 38.000 -0.046 0.000 1.071 95 I HN 0.086 nan 8.210 nan 0.000 0.419 96 E N 1.638 121.846 120.200 0.013 0.000 2.077 96 E HA -0.185 3.947 4.350 -0.363 0.000 0.193 96 E C 2.281 178.889 176.600 0.013 0.000 0.989 96 E CA 1.377 57.794 56.400 0.029 0.000 0.800 96 E CB -0.380 29.341 29.700 0.035 0.000 0.746 96 E HN 0.454 nan 8.360 nan 0.000 0.452 97 L N -0.357 120.824 121.223 -0.071 0.000 2.046 97 L HA -0.121 4.001 4.340 -0.363 0.000 0.208 97 L C 2.419 179.187 176.870 -0.170 0.000 1.077 97 L CA 1.415 56.132 54.840 -0.205 0.000 0.747 97 L CB -0.612 41.059 42.059 -0.647 0.000 0.896 97 L HN 0.193 nan 8.230 nan 0.000 0.432 98 F N 0.479 120.261 119.950 -0.279 0.000 2.069 98 F HA -0.283 4.028 4.527 -0.359 0.000 0.298 98 F C 2.618 178.332 175.800 -0.142 0.000 1.113 98 F CA 1.756 59.624 58.000 -0.220 0.000 1.214 98 F CB -0.485 38.375 39.000 -0.234 0.000 0.978 98 F HN 0.048 nan 8.300 nan 0.000 0.474 99 C N 0.969 120.322 119.300 0.088 0.000 2.413 99 C HA -0.184 4.058 4.460 -0.363 0.000 0.277 99 C C 2.715 177.664 174.990 -0.068 0.000 1.265 99 C CA 1.312 60.336 59.018 0.010 0.000 1.752 99 C CB -1.491 26.299 27.740 0.083 0.000 1.998 99 C HN 0.458 nan 8.230 nan 0.000 0.489 100 R N 0.561 121.045 120.500 -0.026 0.000 2.189 100 R HA -0.082 4.040 4.340 -0.363 0.000 0.223 100 R C 1.809 178.094 176.300 -0.026 0.000 1.092 100 R CA 0.976 57.078 56.100 0.004 0.000 0.989 100 R CB -0.104 30.244 30.300 0.080 0.000 0.876 100 R HN 0.598 nan 8.270 nan 0.000 0.457 101 E N 0.051 120.194 120.200 -0.095 0.000 2.389 101 E HA 0.150 4.282 4.350 -0.363 0.000 0.199 101 E C 0.346 176.809 176.600 -0.228 0.000 0.978 101 E CA 0.150 56.486 56.400 -0.108 0.000 0.912 101 E CB 0.168 29.861 29.700 -0.012 0.000 0.907 101 E HN 0.179 nan 8.360 nan 0.000 0.494 102 A N 2.043 124.595 122.820 -0.446 0.000 2.540 102 A HA 0.009 4.112 4.320 -0.363 0.000 0.239 102 A C 0.738 178.264 177.584 -0.097 0.000 1.061 102 A CA 0.327 52.085 52.037 -0.465 0.000 0.758 102 A CB 0.228 18.799 19.000 -0.715 0.000 0.991 102 A HN -0.060 nan 8.150 nan 0.000 0.502 103 Q N -0.009 119.820 119.800 0.047 0.000 2.157 103 Q HA 0.439 4.561 4.340 -0.363 0.000 0.229 103 Q C -0.166 175.889 176.000 0.093 0.000 0.827 103 Q CA 0.648 56.487 55.803 0.059 0.000 1.055 103 Q CB 0.630 29.390 28.738 0.036 0.000 1.157 103 Q HN 0.873 nan 8.270 nan 0.000 0.482 104 A N 0.859 123.787 122.820 0.180 0.000 2.556 104 A HA 0.774 4.876 4.320 -0.363 0.000 0.294 104 A C -2.726 174.968 177.584 0.184 0.000 1.091 104 A CA -1.473 50.630 52.037 0.110 0.000 0.704 104 A CB 1.101 20.061 19.000 -0.067 0.000 1.300 104 A HN -0.088 nan 8.150 nan 0.000 0.406 105 P HA 0.399 nan 4.420 nan 0.000 0.268 105 P C -0.965 176.460 177.300 0.209 0.000 1.208 105 P CA 0.276 63.453 63.100 0.128 0.000 0.777 105 P CB 0.345 32.089 31.700 0.073 0.000 0.875 106 I N 1.138 121.824 120.570 0.193 0.000 2.436 106 I HA 0.226 4.178 4.170 -0.363 0.000 0.289 106 I C -0.603 175.593 176.117 0.132 0.000 1.010 106 I CA -0.992 60.440 61.300 0.220 0.000 1.098 106 I CB 1.983 40.119 38.000 0.227 0.000 1.266 106 I HN -0.062 nan 8.210 nan 0.000 0.434 107 V N 5.815 125.796 119.914 0.112 0.000 2.364 107 V HA 0.574 4.476 4.120 -0.363 0.000 0.272 107 V C 0.407 176.530 176.094 0.047 0.000 1.036 107 V CA -0.418 61.921 62.300 0.065 0.000 0.880 107 V CB 1.195 33.042 31.823 0.039 0.000 0.991 107 V HN 0.805 nan 8.190 nan 0.000 0.460 108 A N 6.906 129.749 122.820 0.037 0.000 2.288 108 A HA 0.887 4.989 4.320 -0.363 0.000 0.320 108 A C -0.705 176.875 177.584 -0.008 0.000 1.217 108 A CA -0.459 51.584 52.037 0.009 0.000 0.840 108 A CB 0.536 19.540 19.000 0.006 0.000 1.179 108 A HN 0.778 nan 8.150 nan 0.000 0.504 109 I N 1.838 122.392 120.570 -0.026 0.000 2.447 109 I HA 0.496 4.448 4.170 -0.363 0.000 0.287 109 I C 0.237 176.326 176.117 -0.048 0.000 1.023 109 I CA -0.090 61.191 61.300 -0.031 0.000 1.083 109 I CB 2.391 40.372 38.000 -0.032 0.000 1.245 109 I HN 0.658 nan 8.210 nan 0.000 0.434 110 T N 3.455 117.971 114.554 -0.062 0.000 2.831 110 T HA 0.955 5.088 4.350 -0.363 0.000 0.287 110 T C -0.687 173.980 174.700 -0.055 0.000 1.070 110 T CA -0.341 61.716 62.100 -0.072 0.000 1.010 110 T CB 2.015 70.813 68.868 -0.118 0.000 1.264 110 T HN 0.993 nan 8.240 nan 0.000 0.532 111 G N 0.310 109.077 108.800 -0.054 0.000 2.350 111 G HA2 0.275 4.017 3.960 -0.363 0.000 0.305 111 G HA3 0.275 4.017 3.960 -0.363 0.000 0.305 111 G C 0.444 175.350 174.900 0.009 0.000 1.479 111 G CA 0.251 45.332 45.100 -0.031 0.000 0.949 111 G HN 0.645 nan 8.290 nan 0.000 0.651 112 S N -0.460 115.261 115.700 0.034 0.000 2.402 112 S HA 0.042 4.294 4.470 -0.363 0.000 0.229 112 S C 0.875 175.492 174.600 0.028 0.000 1.021 112 S CA 1.571 59.822 58.200 0.086 0.000 0.974 112 S CB -0.083 63.188 63.200 0.119 0.000 0.800 112 S HN 0.744 nan 8.310 nan 0.000 0.484 113 N N -1.833 116.876 118.700 0.014 0.000 2.329 113 N HA 0.509 5.031 4.740 -0.363 0.000 0.282 113 N C 0.220 175.737 175.510 0.011 0.000 1.198 113 N CA 0.472 53.517 53.050 -0.009 0.000 0.790 113 N CB 1.591 40.055 38.487 -0.039 0.000 1.579 113 N HN 0.101 nan 8.380 nan 0.000 0.475 114 G N 1.284 110.090 108.800 0.011 0.000 2.176 114 G HA2 -0.348 3.394 3.960 -0.363 0.000 0.253 114 G HA3 -0.348 3.394 3.960 -0.363 0.000 0.253 114 G C 0.910 175.814 174.900 0.006 0.000 0.979 114 G CA 1.016 46.132 45.100 0.028 0.000 0.641 114 G HN 0.732 nan 8.290 nan 0.000 0.530 115 K N 0.282 120.683 120.400 0.001 0.000 2.097 115 K HA 0.119 4.221 4.320 -0.363 0.000 0.205 115 K C 2.292 178.887 176.600 -0.008 0.000 1.050 115 K CA 1.776 58.057 56.287 -0.010 0.000 0.938 115 K CB -0.356 32.138 32.500 -0.010 0.000 0.718 115 K HN 0.263 nan 8.250 nan 0.000 0.442 116 S N 1.056 116.763 115.700 0.012 0.000 2.387 116 S HA -0.079 4.173 4.470 -0.363 0.000 0.226 116 S C 1.943 176.557 174.600 0.024 0.000 1.026 116 S CA 1.544 59.764 58.200 0.033 0.000 0.972 116 S CB -0.364 62.880 63.200 0.074 0.000 0.814 116 S HN 0.418 nan 8.310 nan 0.000 0.477 117 T N 2.413 116.988 114.554 0.036 0.000 2.652 117 T HA -0.080 4.053 4.350 -0.363 0.000 0.267 117 T C 1.971 176.603 174.700 -0.113 0.000 1.039 117 T CA 1.470 63.584 62.100 0.024 0.000 1.153 117 T CB -0.497 68.426 68.868 0.091 0.000 0.863 117 T HN 0.193 nan 8.240 nan 0.000 0.428 118 V N 1.505 121.364 119.914 -0.092 0.000 2.358 118 V HA -0.172 3.730 4.120 -0.363 0.000 0.246 118 V C 2.784 178.796 176.094 -0.137 0.000 1.047 118 V CA 1.946 64.166 62.300 -0.133 0.000 1.035 118 V CB -1.220 30.529 31.823 -0.123 0.000 0.658 118 V HN 0.544 nan 8.190 nan 0.000 0.452 119 T N -0.083 114.414 114.554 -0.096 0.000 2.684 119 T HA -0.225 3.907 4.350 -0.363 0.000 0.267 119 T C 1.970 176.601 174.700 -0.116 0.000 1.036 119 T CA 2.271 64.324 62.100 -0.079 0.000 1.148 119 T CB -0.468 68.376 68.868 -0.041 0.000 0.863 119 T HN 0.563 nan 8.240 nan 0.000 0.436 120 T N 2.369 116.830 114.554 -0.155 0.000 2.746 120 T HA 0.044 4.176 4.350 -0.363 0.000 0.267 120 T C 2.022 176.469 174.700 -0.423 0.000 1.039 120 T CA 0.820 62.776 62.100 -0.241 0.000 1.142 120 T CB -0.489 68.244 68.868 -0.225 0.000 0.866 120 T HN 0.217 nan 8.240 nan 0.000 0.444 121 L N 0.747 121.643 121.223 -0.544 0.000 2.012 121 L HA -0.120 4.002 4.340 -0.363 0.000 0.210 121 L C 2.694 179.415 176.870 -0.248 0.000 1.073 121 L CA 1.100 55.650 54.840 -0.484 0.000 0.748 121 L CB -0.683 41.152 42.059 -0.374 0.000 0.891 121 L HN 0.156 nan 8.230 nan 0.000 0.431 122 V N -0.010 119.795 119.914 -0.182 0.000 2.343 122 V HA -0.232 3.671 4.120 -0.363 0.000 0.247 122 V C 2.601 178.642 176.094 -0.089 0.000 1.051 122 V CA 1.981 64.214 62.300 -0.111 0.000 1.036 122 V CB -1.379 30.394 31.823 -0.083 0.000 0.654 122 V HN 0.597 nan 8.190 nan 0.000 0.451 123 G N -0.402 108.341 108.800 -0.095 0.000 2.418 123 G HA2 -0.216 3.526 3.960 -0.363 0.000 0.217 123 G HA3 -0.216 3.526 3.960 -0.363 0.000 0.217 123 G C 1.473 176.340 174.900 -0.055 0.000 1.158 123 G CA 0.650 45.714 45.100 -0.059 0.000 0.771 123 G HN 0.475 nan 8.290 nan 0.000 0.545 124 E N 0.334 120.481 120.200 -0.089 0.000 2.077 124 E HA -0.092 4.040 4.350 -0.363 0.000 0.193 124 E C 2.600 179.180 176.600 -0.034 0.000 0.989 124 E CA 0.798 57.167 56.400 -0.052 0.000 0.800 124 E CB -0.377 29.282 29.700 -0.070 0.000 0.746 124 E HN 0.495 nan 8.360 nan 0.000 0.452 125 M N 0.204 119.773 119.600 -0.052 0.000 2.117 125 M HA -0.144 4.118 4.480 -0.363 0.000 0.262 125 M C 2.397 178.685 176.300 -0.020 0.000 1.065 125 M CA 1.638 56.919 55.300 -0.031 0.000 1.114 125 M CB -0.320 32.256 32.600 -0.040 0.000 1.361 125 M HN 0.069 nan 8.290 nan 0.000 0.408 126 A N 0.591 123.396 122.820 -0.025 0.000 1.877 126 A HA -0.189 3.913 4.320 -0.363 0.000 0.216 126 A C 2.115 179.691 177.584 -0.014 0.000 1.186 126 A CA 1.817 53.842 52.037 -0.020 0.000 0.620 126 A CB -0.584 18.401 19.000 -0.024 0.000 0.822 126 A HN 0.407 nan 8.150 nan 0.000 0.443 127 K N -0.411 119.982 120.400 -0.011 0.000 2.044 127 K HA -0.155 3.948 4.320 -0.363 0.000 0.210 127 K C 2.265 178.867 176.600 0.003 0.000 1.049 127 K CA 1.300 57.586 56.287 -0.002 0.000 0.927 127 K CB -0.400 32.104 32.500 0.006 0.000 0.713 127 K HN 0.451 nan 8.250 nan 0.000 0.443 128 A N 1.154 123.977 122.820 0.005 0.000 2.024 128 A HA -0.145 3.957 4.320 -0.363 0.000 0.220 128 A C 2.167 179.754 177.584 0.005 0.000 1.164 128 A CA 1.933 53.975 52.037 0.008 0.000 0.643 128 A CB -0.514 18.492 19.000 0.011 0.000 0.806 128 A HN 0.378 nan 8.150 nan 0.000 0.451 129 A N -2.211 120.609 122.820 0.001 0.000 2.251 129 A HA 0.425 4.528 4.320 -0.363 0.000 0.209 129 A C 1.770 179.353 177.584 -0.002 0.000 1.187 129 A CA 1.153 53.190 52.037 0.000 0.000 0.823 129 A CB -0.723 18.276 19.000 -0.002 0.000 0.846 129 A HN 1.876 nan 8.150 nan 0.000 0.486 130 G N -1.397 107.402 108.800 -0.002 0.000 2.141 130 G HA2 -0.192 3.550 3.960 -0.363 0.000 0.242 130 G HA3 -0.192 3.550 3.960 -0.363 0.000 0.242 130 G C 0.127 175.021 174.900 -0.009 0.000 0.982 130 G CA 0.073 45.171 45.100 -0.004 0.000 0.662 130 G HN 0.793 nan 8.290 nan 0.000 0.527 131 V N 1.409 121.315 119.914 -0.014 0.000 2.530 131 V HA 0.308 4.210 4.120 -0.363 0.000 0.282 131 V C 0.909 176.985 176.094 -0.031 0.000 1.048 131 V CA -0.809 61.476 62.300 -0.024 0.000 0.997 131 V CB 1.553 33.359 31.823 -0.027 0.000 0.987 131 V HN 0.402 nan 8.190 nan 0.000 0.477 132 N N 4.118 122.793 118.700 -0.042 0.000 2.400 132 N HA 0.085 4.607 4.740 -0.363 0.000 0.267 132 N C -0.816 174.645 175.510 -0.081 0.000 1.208 132 N CA 0.352 53.373 53.050 -0.049 0.000 0.951 132 N CB 1.128 39.585 38.487 -0.050 0.000 1.227 132 N HN 0.521 nan 8.380 nan 0.000 0.488 133 V N 2.512 122.391 119.914 -0.059 0.000 2.628 133 V HA 0.806 4.708 4.120 -0.363 0.000 0.306 133 V C 0.115 176.192 176.094 -0.029 0.000 1.045 133 V CA -0.616 61.643 62.300 -0.068 0.000 0.905 133 V CB 1.663 33.464 31.823 -0.038 0.000 0.997 133 V HN 0.637 nan 8.190 nan 0.000 0.436 134 G N 5.017 113.811 108.800 -0.010 0.000 2.487 134 G HA2 0.603 4.346 3.960 -0.363 0.000 0.314 134 G HA3 0.603 4.346 3.960 -0.363 0.000 0.314 134 G C -1.377 173.619 174.900 0.160 0.000 1.267 134 G CA -0.365 44.813 45.100 0.130 0.000 0.937 134 G HN 0.789 nan 8.290 nan 0.000 0.481 135 V N 1.940 121.911 119.914 0.094 0.000 2.495 135 V HA 0.977 4.879 4.120 -0.363 0.000 0.298 135 V C 0.707 176.820 176.094 0.032 0.000 1.031 135 V CA 0.582 62.915 62.300 0.054 0.000 0.871 135 V CB 1.007 32.845 31.823 0.026 0.000 0.988 135 V HN 1.260 nan 8.190 nan 0.000 0.432 136 G N 2.111 110.906 108.800 -0.009 0.000 2.498 136 G HA2 0.675 4.417 3.960 -0.363 0.000 0.181 136 G HA3 0.675 4.417 3.960 -0.363 0.000 0.181 136 G C 0.145 174.992 174.900 -0.088 0.000 1.169 136 G CA 0.453 45.531 45.100 -0.037 0.000 0.992 136 G HN 1.713 nan 8.290 nan 0.000 0.490 137 G N 0.308 109.032 108.800 -0.127 0.000 2.936 137 G HA2 -0.162 3.580 3.960 -0.363 0.000 0.237 137 G HA3 -0.162 3.580 3.960 -0.363 0.000 0.237 137 G C 0.925 175.787 174.900 -0.063 0.000 1.403 137 G CA 1.045 46.059 45.100 -0.143 0.000 1.011 137 G HN 1.645 nan 8.290 nan 0.000 0.568 138 N N 0.638 119.318 118.700 -0.034 0.000 2.463 138 N HA 0.225 4.747 4.740 -0.363 0.000 0.181 138 N C 0.943 176.480 175.510 0.045 0.000 1.078 138 N CA 0.996 54.051 53.050 0.010 0.000 0.902 138 N CB 0.061 38.554 38.487 0.010 0.000 0.970 138 N HN 0.652 nan 8.380 nan 0.000 0.451 139 I N -0.961 119.629 120.570 0.034 0.000 2.707 139 I HA 0.455 4.407 4.170 -0.363 0.000 0.309 139 I C 0.991 177.133 176.117 0.041 0.000 1.001 139 I CA -0.020 61.318 61.300 0.063 0.000 1.129 139 I CB 0.978 39.015 38.000 0.061 0.000 1.308 139 I HN 0.322 nan 8.210 nan 0.000 0.466 140 G N 5.566 114.399 108.800 0.056 0.000 2.564 140 G HA2 -0.275 3.467 3.960 -0.363 0.000 0.273 140 G HA3 -0.275 3.467 3.960 -0.363 0.000 0.273 140 G C -0.234 174.681 174.900 0.025 0.000 1.242 140 G CA -0.107 45.019 45.100 0.043 0.000 0.951 140 G HN 0.730 nan 8.290 nan 0.000 0.564 141 L N 2.338 123.574 121.223 0.021 0.000 2.490 141 L HA 0.220 4.342 4.340 -0.363 0.000 0.274 141 L C -1.545 175.315 176.870 -0.017 0.000 1.201 141 L CA -1.226 53.621 54.840 0.012 0.000 0.869 141 L CB 0.365 42.439 42.059 0.026 0.000 1.123 141 L HN 0.313 nan 8.230 nan 0.000 0.484 142 P HA -0.072 nan 4.420 nan 0.000 0.266 142 P C 0.135 177.376 177.300 -0.097 0.000 1.193 142 P CA 0.152 63.222 63.100 -0.050 0.000 0.770 142 P CB 0.717 32.404 31.700 -0.022 0.000 0.836 143 A N 3.443 126.138 122.820 -0.210 0.000 1.948 143 A HA -0.194 3.908 4.320 -0.363 0.000 0.220 143 A C 1.942 179.411 177.584 -0.193 0.000 1.177 143 A CA 1.691 53.458 52.037 -0.450 0.000 0.636 143 A CB -1.488 17.026 19.000 -0.811 0.000 0.815 143 A HN 0.572 nan 8.150 nan 0.000 0.449 144 L N -1.261 119.949 121.223 -0.021 0.000 2.275 144 L HA -0.119 4.003 4.340 -0.363 0.000 0.215 144 L C 2.502 179.465 176.870 0.154 0.000 1.119 144 L CA 0.921 55.842 54.840 0.136 0.000 0.790 144 L CB -0.404 41.660 42.059 0.008 0.000 0.919 144 L HN 0.429 nan 8.230 nan 0.000 0.443 145 M N -0.777 118.878 119.600 0.092 0.000 2.562 145 M HA -0.071 4.191 4.480 -0.363 0.000 0.257 145 M C 1.704 178.085 176.300 0.135 0.000 1.099 145 M CA 1.072 56.432 55.300 0.100 0.000 1.099 145 M CB 0.021 32.660 32.600 0.065 0.000 1.427 145 M HN 0.262 nan 8.290 nan 0.000 0.489 146 L N -0.390 120.939 121.223 0.177 0.000 2.446 146 L HA 0.122 4.244 4.340 -0.363 0.000 0.219 146 L C 0.768 177.890 176.870 0.420 0.000 1.116 146 L CA -0.194 54.814 54.840 0.282 0.000 0.844 146 L CB -0.259 41.982 42.059 0.303 0.000 0.970 146 L HN 0.212 nan 8.230 nan 0.000 0.457 147 L N 2.182 123.621 121.223 0.361 0.000 2.615 147 L HA -0.041 4.082 4.340 -0.363 0.000 0.271 147 L C -0.505 176.503 176.870 0.231 0.000 1.183 147 L CA 0.545 55.550 54.840 0.275 0.000 0.933 147 L CB -0.068 42.072 42.059 0.135 0.000 1.199 147 L HN 0.114 nan 8.230 nan 0.000 0.487 148 D N 1.838 122.394 120.400 0.260 0.000 2.891 148 D HA 0.105 4.527 4.640 -0.363 0.000 0.224 148 D C 0.393 176.759 176.300 0.109 0.000 1.321 148 D CA -0.513 53.576 54.000 0.147 0.000 0.929 148 D CB 1.332 42.203 40.800 0.120 0.000 1.551 148 D HN 0.301 nan 8.370 nan 0.000 0.574 149 D N 2.084 122.523 120.400 0.066 0.000 2.172 149 D HA -0.178 4.244 4.640 -0.363 0.000 0.196 149 D C 1.024 177.332 176.300 0.014 0.000 0.999 149 D CA 1.168 55.190 54.000 0.037 0.000 0.856 149 D CB 0.351 41.165 40.800 0.023 0.000 0.934 149 D HN 0.649 nan 8.370 nan 0.000 0.453 150 E N -0.473 119.733 120.200 0.010 0.000 2.418 150 E HA -0.035 4.097 4.350 -0.363 0.000 0.197 150 E C 0.619 177.193 176.600 -0.044 0.000 1.026 150 E CA -0.230 56.164 56.400 -0.010 0.000 0.862 150 E CB 0.186 29.885 29.700 -0.002 0.000 0.799 150 E HN 0.145 nan 8.360 nan 0.000 0.518 151 C N 1.505 120.764 119.300 -0.070 0.000 2.648 151 C HA 0.019 4.261 4.460 -0.363 0.000 0.419 151 C C 1.387 176.237 174.990 -0.234 0.000 1.352 151 C CA 0.009 58.906 59.018 -0.202 0.000 1.816 151 C CB -0.150 27.360 27.740 -0.384 0.000 2.598 151 C HN 0.394 nan 8.230 nan 0.000 0.598 152 E N 2.231 122.302 120.200 -0.215 0.000 2.431 152 E HA 0.223 4.355 4.350 -0.363 0.000 0.200 152 E C -0.567 175.933 176.600 -0.166 0.000 0.995 152 E CA 0.103 56.414 56.400 -0.148 0.000 0.915 152 E CB 0.499 30.147 29.700 -0.086 0.000 0.930 152 E HN 0.551 nan 8.360 nan 0.000 0.496 153 L N 0.011 121.077 121.223 -0.262 0.000 2.545 153 L HA 0.343 4.465 4.340 -0.363 0.000 0.258 153 L C -2.018 174.689 176.870 -0.272 0.000 0.942 153 L CA -0.694 54.033 54.840 -0.188 0.000 0.855 153 L CB 1.320 43.336 42.059 -0.072 0.000 1.374 153 L HN -0.147 nan 8.230 nan 0.000 0.411 154 Y N 3.424 123.778 120.300 0.090 0.000 2.377 154 Y HA 0.725 5.059 4.550 -0.360 0.000 0.339 154 Y C -0.339 175.593 175.900 0.054 0.000 1.011 154 Y CA -0.987 57.178 58.100 0.108 0.000 1.093 154 Y CB 2.200 40.802 38.460 0.237 0.000 1.201 154 Y HN 0.261 nan 8.280 nan 0.000 0.455 155 V N 5.587 125.606 119.914 0.176 0.000 2.349 155 V HA 0.372 4.274 4.120 -0.363 0.000 0.284 155 V C -0.529 175.582 176.094 0.028 0.000 1.014 155 V CA -0.757 61.587 62.300 0.073 0.000 0.826 155 V CB 0.981 32.818 31.823 0.022 0.000 1.009 155 V HN 0.600 nan 8.190 nan 0.000 0.431 156 L N 3.828 125.049 121.223 -0.004 0.000 2.313 156 L HA 0.583 4.705 4.340 -0.363 0.000 0.283 156 L C 0.248 177.087 176.870 -0.052 0.000 1.013 156 L CA -0.424 54.375 54.840 -0.068 0.000 0.816 156 L CB 2.170 44.145 42.059 -0.140 0.000 1.236 156 L HN 0.636 nan 8.230 nan 0.000 0.419 157 E N 4.143 124.312 120.200 -0.051 0.000 2.289 157 E HA 0.440 4.573 4.350 -0.363 0.000 0.278 157 E C -1.415 175.155 176.600 -0.050 0.000 1.032 157 E CA -0.441 55.936 56.400 -0.039 0.000 0.854 157 E CB 0.979 30.669 29.700 -0.017 0.000 1.046 157 E HN 0.474 nan 8.360 nan 0.000 0.409 158 L N 3.728 124.922 121.223 -0.049 0.000 2.362 158 L HA 0.318 4.440 4.340 -0.363 0.000 0.275 158 L C 0.174 177.014 176.870 -0.050 0.000 0.998 158 L CA -0.820 53.989 54.840 -0.052 0.000 0.820 158 L CB 1.944 43.967 42.059 -0.059 0.000 1.270 158 L HN 0.602 nan 8.230 nan 0.000 0.415 159 S N 0.002 115.675 115.700 -0.045 0.000 2.669 159 S HA 0.192 4.444 4.470 -0.363 0.000 0.270 159 S C 1.176 175.723 174.600 -0.089 0.000 1.225 159 S CA -0.067 58.081 58.200 -0.087 0.000 0.991 159 S CB 1.597 64.715 63.200 -0.136 0.000 0.987 159 S HN 0.724 nan 8.310 nan 0.000 0.552 160 S N 0.626 116.239 115.700 -0.145 0.000 2.399 160 S HA -0.100 4.152 4.470 -0.363 0.000 0.231 160 S C 1.498 176.173 174.600 0.125 0.000 1.022 160 S CA 0.756 58.937 58.200 -0.032 0.000 0.983 160 S CB -1.181 62.060 63.200 0.068 0.000 0.803 160 S HN 0.720 nan 8.310 nan 0.000 0.480 161 F N 1.859 121.847 119.950 0.064 0.000 2.146 161 F HA -0.071 4.237 4.527 -0.364 0.000 0.298 161 F C 3.112 178.922 175.800 0.016 0.000 1.096 161 F CA 0.951 58.967 58.000 0.028 0.000 1.275 161 F CB -0.460 38.505 39.000 -0.058 0.000 1.008 161 F HN 0.234 nan 8.300 nan 0.000 0.480 162 Q N 0.635 120.537 119.800 0.171 0.000 2.096 162 Q HA -0.205 3.917 4.340 -0.363 0.000 0.204 162 Q C 2.274 178.309 176.000 0.058 0.000 0.982 162 Q CA 1.455 57.307 55.803 0.082 0.000 0.850 162 Q CB -0.304 28.451 28.738 0.028 0.000 0.901 162 Q HN 0.493 nan 8.270 nan 0.000 0.422 163 L N 0.527 121.779 121.223 0.048 0.000 2.083 163 L HA -0.204 3.918 4.340 -0.363 0.000 0.209 163 L C 2.175 179.076 176.870 0.052 0.000 1.083 163 L CA 1.112 55.967 54.840 0.024 0.000 0.752 163 L CB -0.343 41.705 42.059 -0.018 0.000 0.899 163 L HN 0.260 nan 8.230 nan 0.000 0.433 164 E N -0.427 119.834 120.200 0.102 0.000 2.130 164 E HA -0.227 3.905 4.350 -0.363 0.000 0.196 164 E C 1.649 178.295 176.600 0.076 0.000 0.998 164 E CA 1.867 58.334 56.400 0.113 0.000 0.806 164 E CB -0.101 29.706 29.700 0.178 0.000 0.738 164 E HN 0.570 nan 8.360 nan 0.000 0.459 165 T N -1.876 112.718 114.554 0.067 0.000 3.145 165 T HA 0.117 4.249 4.350 -0.363 0.000 0.255 165 T C 0.350 175.074 174.700 0.040 0.000 1.039 165 T CA -0.350 61.779 62.100 0.049 0.000 0.928 165 T CB 0.438 69.331 68.868 0.040 0.000 1.029 165 T HN -0.194 nan 8.240 nan 0.000 0.554 166 T N 1.936 116.513 114.554 0.038 0.000 2.824 166 T HA 0.530 4.662 4.350 -0.363 0.000 0.280 166 T C 0.847 175.566 174.700 0.033 0.000 0.995 166 T CA -0.487 61.633 62.100 0.033 0.000 1.009 166 T CB 1.730 70.612 68.868 0.025 0.000 0.955 166 T HN 0.334 nan 8.240 nan 0.000 0.452 167 S N 0.271 115.993 115.700 0.037 0.000 2.679 167 S HA 0.120 4.372 4.470 -0.363 0.000 0.258 167 S C 1.160 175.782 174.600 0.036 0.000 1.068 167 S CA -0.432 57.789 58.200 0.035 0.000 1.115 167 S CB 0.289 63.511 63.200 0.036 0.000 1.078 167 S HN 0.385 nan 8.310 nan 0.000 0.603 168 S N 1.774 117.498 115.700 0.040 0.000 2.572 168 S HA 0.399 4.651 4.470 -0.363 0.000 0.228 168 S C -0.055 174.570 174.600 0.042 0.000 0.963 168 S CA -0.478 57.746 58.200 0.039 0.000 0.939 168 S CB -0.014 63.210 63.200 0.040 0.000 0.804 168 S HN 0.539 nan 8.310 nan 0.000 0.480 169 L N 2.902 124.152 121.223 0.045 0.000 2.360 169 L HA 0.282 4.404 4.340 -0.363 0.000 0.276 169 L C -0.120 176.781 176.870 0.051 0.000 1.121 169 L CA 0.816 55.688 54.840 0.053 0.000 0.845 169 L CB 0.410 42.496 42.059 0.045 0.000 1.143 169 L HN 0.073 nan 8.230 nan 0.000 0.452 170 Q N 5.436 125.270 119.800 0.058 0.000 3.064 170 Q HA 0.485 4.607 4.340 -0.363 0.000 0.258 170 Q C -0.547 175.493 176.000 0.067 0.000 0.972 170 Q CA -0.557 55.280 55.803 0.057 0.000 0.761 170 Q CB 1.327 30.094 28.738 0.047 0.000 1.281 170 Q HN 0.880 nan 8.270 nan 0.000 0.455 171 A N 0.819 123.683 122.820 0.073 0.000 2.425 171 A HA 0.123 4.226 4.320 -0.363 0.000 0.249 171 A C 1.137 178.766 177.584 0.074 0.000 1.084 171 A CA -0.195 51.889 52.037 0.079 0.000 0.781 171 A CB 0.781 19.829 19.000 0.079 0.000 1.019 171 A HN 0.543 nan 8.150 nan 0.000 0.490 172 V N 1.758 121.715 119.914 0.073 0.000 2.515 172 V HA 0.258 4.160 4.120 -0.363 0.000 0.250 172 V C 0.999 177.128 176.094 0.057 0.000 1.058 172 V CA 2.313 64.649 62.300 0.060 0.000 1.064 172 V CB -0.418 31.440 31.823 0.057 0.000 0.675 172 V HN 1.452 nan 8.190 nan 0.000 0.461 173 A N -0.977 121.881 122.820 0.063 0.000 2.491 173 A HA 0.850 4.952 4.320 -0.363 0.000 0.293 173 A C -0.718 176.914 177.584 0.080 0.000 1.047 173 A CA 0.129 52.204 52.037 0.063 0.000 0.735 173 A CB 1.393 20.415 19.000 0.037 0.000 1.281 173 A HN 1.015 nan 8.150 nan 0.000 0.398 174 A N 1.025 123.921 122.820 0.126 0.000 2.435 174 A HA 0.978 5.081 4.320 -0.363 0.000 0.304 174 A C -0.365 177.369 177.584 0.250 0.000 1.064 174 A CA -0.204 51.924 52.037 0.152 0.000 0.727 174 A CB 1.839 20.945 19.000 0.176 0.000 1.284 174 A HN 1.703 nan 8.150 nan 0.000 0.415 175 T N 1.038 115.693 114.554 0.169 0.000 2.916 175 T HA 0.623 4.755 4.350 -0.363 0.000 0.305 175 T C -1.395 173.347 174.700 0.070 0.000 1.119 175 T CA -0.327 61.920 62.100 0.246 0.000 1.008 175 T CB 0.558 69.538 68.868 0.188 0.000 1.129 175 T HN 0.494 nan 8.240 nan 0.000 0.480 176 I N 5.890 126.527 120.570 0.112 0.000 2.330 176 I HA 0.300 4.252 4.170 -0.363 0.000 0.289 176 I C 1.234 177.432 176.117 0.136 0.000 1.001 176 I CA -0.631 60.671 61.300 0.002 0.000 1.193 176 I CB 1.612 39.560 38.000 -0.087 0.000 1.345 176 I HN 0.618 nan 8.210 nan 0.000 0.461 177 L N 5.497 126.800 121.223 0.134 0.000 2.109 177 L HA -0.043 4.079 4.340 -0.363 0.000 0.207 177 L C 0.119 177.115 176.870 0.211 0.000 1.086 177 L CA 0.971 55.971 54.840 0.266 0.000 0.760 177 L CB -0.473 41.681 42.059 0.158 0.000 0.910 177 L HN 0.813 nan 8.230 nan 0.000 0.437 178 N N -3.142 115.612 118.700 0.090 0.000 3.322 178 N HA 0.388 4.911 4.740 -0.363 0.000 0.233 178 N C -1.360 174.147 175.510 -0.004 0.000 1.399 178 N CA -0.730 52.350 53.050 0.050 0.000 0.894 178 N CB 1.777 40.306 38.487 0.069 0.000 1.440 178 N HN -0.303 nan 8.380 nan 0.000 0.503 179 V N 0.105 120.011 119.914 -0.014 0.000 2.419 179 V HA 0.768 4.670 4.120 -0.363 0.000 0.287 179 V C -0.508 175.615 176.094 0.048 0.000 1.017 179 V CA -0.276 61.998 62.300 -0.044 0.000 0.844 179 V CB 0.843 32.591 31.823 -0.125 0.000 1.011 179 V HN 1.046 nan 8.190 nan 0.000 0.429 180 T N 0.255 114.885 114.554 0.127 0.000 2.916 180 T HA 0.592 4.724 4.350 -0.363 0.000 0.292 180 T C -0.348 174.462 174.700 0.183 0.000 1.064 180 T CA -0.773 61.397 62.100 0.116 0.000 1.011 180 T CB 2.063 70.967 68.868 0.060 0.000 1.152 180 T HN 0.593 nan 8.240 nan 0.000 0.510 181 E N 0.789 121.038 120.200 0.082 0.000 2.585 181 E HA 0.158 4.290 4.350 -0.363 0.000 0.252 181 E C -0.894 175.622 176.600 -0.140 0.000 0.981 181 E CA 0.495 56.888 56.400 -0.011 0.000 0.943 181 E CB 0.234 29.905 29.700 -0.048 0.000 0.923 181 E HN 0.615 nan 8.360 nan 0.000 0.486 182 D N 1.395 121.562 120.400 -0.390 0.000 2.648 182 D HA 0.162 4.584 4.640 -0.363 0.000 0.244 182 D C -0.903 175.031 176.300 -0.609 0.000 1.244 182 D CA -0.252 53.430 54.000 -0.529 0.000 0.772 182 D CB 0.681 41.187 40.800 -0.491 0.000 1.379 182 D HN 0.614 nan 8.370 nan 0.000 0.428 183 H N 1.771 120.710 119.070 -0.219 0.000 2.861 183 H HA -0.154 4.185 4.556 -0.362 0.000 0.289 183 H C 1.364 176.707 175.328 0.025 0.000 1.176 183 H CA 0.848 56.874 56.048 -0.036 0.000 1.146 183 H CB -1.007 28.777 29.762 0.035 0.000 1.330 183 H HN 0.436 nan 8.280 nan 0.000 0.379 184 M N 0.576 120.186 119.600 0.016 0.000 2.358 184 M HA -0.102 4.161 4.480 -0.363 0.000 0.264 184 M C 2.020 178.344 176.300 0.039 0.000 1.064 184 M CA 1.800 57.126 55.300 0.044 0.000 1.093 184 M CB -0.565 32.017 32.600 -0.031 0.000 1.401 184 M HN 0.354 nan 8.290 nan 0.000 0.440 185 D N -0.403 120.011 120.400 0.023 0.000 2.309 185 D HA -0.185 4.237 4.640 -0.363 0.000 0.212 185 D C 1.640 177.913 176.300 -0.045 0.000 0.968 185 D CA 0.935 54.932 54.000 -0.005 0.000 0.882 185 D CB -0.377 40.426 40.800 0.006 0.000 0.918 185 D HN 0.269 nan 8.370 nan 0.000 0.503 186 R N -1.051 119.407 120.500 -0.070 0.000 2.397 186 R HA 0.133 4.255 4.340 -0.363 0.000 0.241 186 R C -0.243 175.775 176.300 -0.470 0.000 0.914 186 R CA -0.108 55.810 56.100 -0.304 0.000 1.071 186 R CB 0.378 30.433 30.300 -0.407 0.000 1.116 186 R HN 0.291 nan 8.270 nan 0.000 0.524 187 Y N 1.012 121.387 120.300 0.125 0.000 2.628 187 Y HA 0.257 4.588 4.550 -0.364 0.000 0.354 187 Y C -1.576 174.380 175.900 0.093 0.000 1.061 187 Y CA -1.770 56.424 58.100 0.158 0.000 1.251 187 Y CB 1.781 40.356 38.460 0.192 0.000 1.098 187 Y HN -0.076 nan 8.280 nan 0.000 0.626 188 P HA -0.117 nan 4.420 nan 0.000 0.230 188 P C 0.379 177.530 177.300 -0.248 0.000 1.158 188 P CA 1.193 64.245 63.100 -0.080 0.000 0.769 188 P CB 0.077 31.676 31.700 -0.167 0.000 0.807 189 F N 0.206 120.231 119.950 0.124 0.000 2.668 189 F HA 0.420 4.729 4.527 -0.363 0.000 0.297 189 F C 1.789 177.645 175.800 0.094 0.000 1.124 189 F CA 0.430 58.486 58.000 0.095 0.000 1.353 189 F CB -0.385 38.668 39.000 0.088 0.000 0.992 189 F HN 0.029 nan 8.300 nan 0.000 0.524 190 G N 0.438 109.356 108.800 0.198 0.000 2.645 190 G HA2 -0.338 3.404 3.960 -0.363 0.000 0.239 190 G HA3 -0.338 3.404 3.960 -0.363 0.000 0.239 190 G C 0.571 175.561 174.900 0.151 0.000 1.331 190 G CA -0.123 45.059 45.100 0.136 0.000 0.890 190 G HN 0.236 nan 8.290 nan 0.000 0.572 191 L N 0.043 121.335 121.223 0.115 0.000 2.079 191 L HA -0.060 4.062 4.340 -0.363 0.000 0.210 191 L C 3.013 179.942 176.870 0.098 0.000 1.081 191 L CA 3.130 58.052 54.840 0.137 0.000 0.752 191 L CB -0.465 41.654 42.059 0.100 0.000 0.896 191 L HN 0.632 nan 8.230 nan 0.000 0.433 192 Q N -0.908 118.935 119.800 0.071 0.000 2.167 192 Q HA -0.234 3.889 4.340 -0.363 0.000 0.202 192 Q C 2.106 178.112 176.000 0.009 0.000 0.970 192 Q CA 1.447 57.270 55.803 0.032 0.000 0.855 192 Q CB -0.269 28.493 28.738 0.040 0.000 0.911 192 Q HN 0.694 nan 8.270 nan 0.000 0.438 193 Q N -0.235 119.598 119.800 0.055 0.000 2.016 193 Q HA -0.180 3.942 4.340 -0.363 0.000 0.200 193 Q C 1.987 177.856 176.000 -0.217 0.000 0.978 193 Q CA 1.104 56.924 55.803 0.029 0.000 0.833 193 Q CB -0.206 28.671 28.738 0.232 0.000 0.895 193 Q HN 0.452 nan 8.270 nan 0.000 0.427 194 Y N 1.107 121.040 120.300 -0.613 0.000 2.069 194 Y HA -0.370 3.962 4.550 -0.364 0.000 0.278 194 Y C 2.612 178.251 175.900 -0.435 0.000 1.175 194 Y CA 2.138 59.660 58.100 -0.963 0.000 1.134 194 Y CB -0.174 37.962 38.460 -0.541 0.000 0.965 194 Y HN 0.091 nan 8.280 nan 0.000 0.498 195 R N 0.753 121.038 120.500 -0.359 0.000 2.103 195 R HA -0.232 3.890 4.340 -0.363 0.000 0.242 195 R C 2.295 178.450 176.300 -0.241 0.000 1.142 195 R CA 1.420 57.316 56.100 -0.339 0.000 0.960 195 R CB -0.666 29.531 30.300 -0.171 0.000 0.858 195 R HN 0.501 nan 8.270 nan 0.000 0.439 196 A N 1.265 123.988 122.820 -0.162 0.000 1.908 196 A HA -0.003 4.100 4.320 -0.363 0.000 0.218 196 A C 1.447 178.971 177.584 -0.100 0.000 1.181 196 A CA 1.353 53.331 52.037 -0.099 0.000 0.627 196 A CB -0.796 18.173 19.000 -0.052 0.000 0.818 196 A HN 0.607 nan 8.150 nan 0.000 0.445 200 R N 0.809 121.238 120.500 -0.117 0.000 2.170 200 R HA -0.106 4.016 4.340 -0.363 0.000 0.242 200 R C 2.023 178.275 176.300 -0.081 0.000 1.145 200 R CA 1.798 57.860 56.100 -0.063 0.000 0.984 200 R CB -0.221 30.056 30.300 -0.038 0.000 0.869 200 R HN 0.348 nan 8.270 nan 0.000 0.455 201 I N 0.245 120.701 120.570 -0.191 0.000 2.423 201 I HA -0.314 3.638 4.170 -0.363 0.000 0.254 201 I C 1.220 177.281 176.117 -0.092 0.000 1.151 201 I CA 1.453 62.639 61.300 -0.190 0.000 1.421 201 I CB 0.059 37.876 38.000 -0.306 0.000 1.079 201 I HN 0.228 nan 8.210 nan 0.000 0.431 202 Y N 0.633 120.931 120.300 -0.003 0.000 2.519 202 Y HA 0.037 4.369 4.550 -0.363 0.000 0.287 202 Y C 0.839 176.742 175.900 0.006 0.000 1.128 202 Y CA -0.488 57.613 58.100 0.001 0.000 1.282 202 Y CB -0.107 38.350 38.460 -0.004 0.000 1.027 202 Y HN 0.125 nan 8.280 nan 0.000 0.551 203 E N 2.197 122.476 120.200 0.132 0.000 2.415 203 E HA -0.084 4.048 4.350 -0.363 0.000 0.260 203 E C -0.050 176.595 176.600 0.075 0.000 1.016 203 E CA 0.091 56.543 56.400 0.087 0.000 0.924 203 E CB 0.030 29.762 29.700 0.054 0.000 0.961 203 E HN 0.342 nan 8.360 nan 0.000 0.459 204 N N 0.149 118.889 118.700 0.066 0.000 2.741 204 N HA -0.203 4.319 4.740 -0.363 0.000 0.251 204 N C -0.727 174.821 175.510 0.063 0.000 1.112 204 N CA 1.063 54.146 53.050 0.055 0.000 0.750 204 N CB -1.295 37.219 38.487 0.045 0.000 1.119 204 N HN 0.542 nan 8.380 nan 0.000 0.561 205 A N 0.562 123.433 122.820 0.084 0.000 2.328 205 A HA 0.286 4.388 4.320 -0.363 0.000 0.284 205 A C 1.371 178.994 177.584 0.064 0.000 1.160 205 A CA -0.094 51.997 52.037 0.091 0.000 0.818 205 A CB 0.892 19.982 19.000 0.149 0.000 1.087 205 A HN 0.252 nan 8.150 nan 0.000 0.504 206 K N 1.566 121.999 120.400 0.055 0.000 2.032 206 K HA -0.031 4.071 4.320 -0.363 0.000 0.209 206 K C -0.079 176.541 176.600 0.032 0.000 1.048 206 K CA 1.544 57.855 56.287 0.040 0.000 0.927 206 K CB -0.037 32.487 32.500 0.040 0.000 0.712 206 K HN 0.513 nan 8.250 nan 0.000 0.441 207 V N 1.424 121.362 119.914 0.040 0.000 2.577 207 V HA 0.188 4.090 4.120 -0.363 0.000 0.303 207 V C -0.569 175.545 176.094 0.033 0.000 1.042 207 V CA -1.193 61.124 62.300 0.027 0.000 0.872 207 V CB 1.246 33.089 31.823 0.034 0.000 0.998 207 V HN 0.386 nan 8.190 nan 0.000 0.423 208 c N 3.728 122.309 118.600 -0.032 0.000 2.295 208 c HA 0.861 5.214 4.570 -0.363 0.000 0.331 208 c C -0.045 174.001 174.090 -0.074 0.000 1.280 208 c CA -0.959 55.305 56.329 -0.108 0.000 1.746 208 c CB 0.180 42.388 42.510 -0.504 0.000 2.328 208 c HN 0.552 nan 8.230 nan 0.000 0.521 209 V N 4.961 124.913 119.914 0.063 0.000 2.370 209 V HA 0.644 4.546 4.120 -0.363 0.000 0.283 209 V C 0.394 176.586 176.094 0.164 0.000 1.023 209 V CA -0.126 62.239 62.300 0.108 0.000 0.857 209 V CB 1.057 32.961 31.823 0.136 0.000 0.985 209 V HN 0.998 nan 8.190 nan 0.000 0.443 210 V N 1.991 121.931 119.914 0.044 0.000 2.960 210 V HA 0.692 4.594 4.120 -0.363 0.000 0.315 210 V C -0.266 175.606 176.094 -0.370 0.000 1.087 210 V CA -0.966 61.306 62.300 -0.048 0.000 0.982 210 V CB 2.253 34.009 31.823 -0.112 0.000 1.039 210 V HN 0.682 nan 8.190 nan 0.000 0.437 211 N N 2.027 120.426 118.700 -0.502 0.000 2.437 211 N HA 0.441 4.963 4.740 -0.363 0.000 0.243 211 N C 0.911 176.157 175.510 -0.439 0.000 1.041 211 N CA 0.305 52.812 53.050 -0.906 0.000 0.940 211 N CB 1.393 39.545 38.487 -0.559 0.000 1.133 211 N HN 1.017 nan 8.380 nan 0.000 0.506 212 A N 3.168 125.751 122.820 -0.395 0.000 2.125 212 A HA -0.110 3.993 4.320 -0.363 0.000 0.219 212 A C 1.167 178.677 177.584 -0.123 0.000 1.156 212 A CA 1.172 53.101 52.037 -0.180 0.000 0.671 212 A CB 0.008 18.947 19.000 -0.102 0.000 0.794 212 A HN 0.680 nan 8.150 nan 0.000 0.459 213 D N -0.625 119.693 120.400 -0.136 0.000 2.339 213 D HA 0.046 4.468 4.640 -0.363 0.000 0.217 213 D C -0.392 175.877 176.300 -0.051 0.000 1.050 213 D CA 0.398 54.362 54.000 -0.061 0.000 0.856 213 D CB 0.337 41.128 40.800 -0.015 0.000 0.922 213 D HN 0.337 nan 8.370 nan 0.000 0.518 214 D N 0.018 120.369 120.400 -0.082 0.000 2.358 214 D HA 0.296 4.718 4.640 -0.363 0.000 0.253 214 D C 0.856 177.127 176.300 -0.049 0.000 1.288 214 D CA -0.543 53.429 54.000 -0.048 0.000 0.950 214 D CB 1.200 41.980 40.800 -0.033 0.000 1.197 214 D HN -0.125 nan 8.370 nan 0.000 0.550 215 A N 3.266 126.066 122.820 -0.034 0.000 2.024 215 A HA -0.158 3.944 4.320 -0.363 0.000 0.220 215 A C 1.845 179.418 177.584 -0.018 0.000 1.164 215 A CA 0.948 52.968 52.037 -0.028 0.000 0.643 215 A CB -0.174 18.814 19.000 -0.020 0.000 0.806 215 A HN 0.545 nan 8.150 nan 0.000 0.451 216 L N 0.275 121.489 121.223 -0.016 0.000 2.265 216 L HA -0.101 4.021 4.340 -0.363 0.000 0.215 216 L C 2.718 179.582 176.870 -0.009 0.000 1.117 216 L CA 2.182 57.011 54.840 -0.017 0.000 0.782 216 L CB -1.064 40.980 42.059 -0.025 0.000 0.914 216 L HN 0.651 nan 8.230 nan 0.000 0.441 217 T N -4.342 110.214 114.554 0.004 0.000 3.118 217 T HA 0.037 4.169 4.350 -0.363 0.000 0.260 217 T C 0.940 175.724 174.700 0.139 0.000 1.139 217 T CA 0.053 62.190 62.100 0.061 0.000 1.085 217 T CB -0.169 68.725 68.868 0.044 0.000 0.934 217 T HN -0.084 nan 8.240 nan 0.000 0.518 218 M N 2.181 121.813 119.600 0.054 0.000 2.250 218 M HA 0.405 4.667 4.480 -0.363 0.000 0.344 218 M C -2.086 174.251 176.300 0.062 0.000 1.150 218 M CA -2.486 52.824 55.300 0.017 0.000 1.147 218 M CB 0.751 33.337 32.600 -0.025 0.000 1.498 218 M HN -0.014 nan 8.290 nan 0.000 0.461 219 P HA 0.744 nan 4.420 nan 0.000 0.328 219 P C -0.318 176.987 177.300 0.008 0.000 1.399 219 P CA -0.149 62.979 63.100 0.046 0.000 0.872 219 P CB 0.430 32.115 31.700 -0.025 0.000 2.162 227 c N 1.554 120.104 118.600 -0.083 0.000 2.463 227 c HA 0.690 5.043 4.570 -0.363 0.000 0.380 227 c C 1.063 175.135 174.090 -0.030 0.000 1.264 227 c CA -0.803 55.468 56.329 -0.097 0.000 2.161 227 c CB 1.005 43.403 42.510 -0.187 0.000 2.515 227 c HN 0.680 nan 8.230 nan 0.000 0.565 228 V N 4.034 123.955 119.914 0.011 0.000 2.637 228 V HA 0.343 4.245 4.120 -0.363 0.000 0.296 228 V C 0.575 176.724 176.094 0.092 0.000 1.046 228 V CA 0.322 62.676 62.300 0.090 0.000 1.066 228 V CB 1.145 33.051 31.823 0.137 0.000 0.968 228 V HN 1.072 nan 8.190 nan 0.000 0.483 229 S N 4.957 120.742 115.700 0.142 0.000 2.578 229 S HA 0.873 5.125 4.470 -0.363 0.000 0.301 229 S C -0.850 173.897 174.600 0.246 0.000 1.091 229 S CA -0.732 57.523 58.200 0.090 0.000 1.032 229 S CB 1.798 65.006 63.200 0.013 0.000 1.064 229 S HN 0.655 nan 8.310 nan 0.000 0.508 230 F N -0.715 119.305 119.950 0.116 0.000 2.561 230 F HA 1.016 5.325 4.527 -0.364 0.000 0.321 230 F C 0.099 175.977 175.800 0.130 0.000 1.065 230 F CA -0.508 57.584 58.000 0.155 0.000 0.934 230 F CB 1.416 40.467 39.000 0.086 0.000 1.215 230 F HN 1.005 nan 8.300 nan 0.000 0.471 231 G N 0.935 109.913 108.800 0.297 0.000 2.548 231 G HA2 0.425 4.167 3.960 -0.363 0.000 0.301 231 G HA3 0.425 4.167 3.960 -0.363 0.000 0.301 231 G C -0.759 174.293 174.900 0.254 0.000 1.349 231 G CA -0.313 44.898 45.100 0.185 0.000 0.792 231 G HN 0.694 nan 8.290 nan 0.000 0.481 232 V N 0.526 120.549 119.914 0.181 0.000 2.273 232 V HA -0.005 3.897 4.120 -0.363 0.000 0.242 232 V C 1.888 178.074 176.094 0.154 0.000 1.035 232 V CA 1.697 64.103 62.300 0.177 0.000 1.013 232 V CB -0.296 31.610 31.823 0.138 0.000 0.652 232 V HN 0.655 nan 8.190 nan 0.000 0.452 233 N N 0.057 118.813 118.700 0.093 0.000 2.220 233 N HA 0.256 4.778 4.740 -0.363 0.000 0.195 233 N C 0.218 175.707 175.510 -0.034 0.000 1.123 233 N CA 0.242 53.313 53.050 0.035 0.000 0.874 233 N CB 0.954 39.451 38.487 0.018 0.000 0.995 233 N HN 0.579 nan 8.380 nan 0.000 0.498 234 M N -2.156 117.449 119.600 0.008 0.000 2.618 234 M HA 0.722 4.985 4.480 -0.363 0.000 0.281 234 M C -0.472 175.868 176.300 0.067 0.000 1.267 234 M CA -0.707 54.576 55.300 -0.029 0.000 0.845 234 M CB 2.780 35.361 32.600 -0.031 0.000 1.732 234 M HN -0.080 nan 8.290 nan 0.000 0.461 235 G N 0.786 109.633 108.800 0.079 0.000 2.484 235 G HA2 -0.040 3.702 3.960 -0.363 0.000 0.685 235 G HA3 -0.040 3.702 3.960 -0.363 0.000 0.685 235 G C -0.758 174.314 174.900 0.287 0.000 1.294 235 G CA -0.273 44.926 45.100 0.165 0.000 0.879 235 G HN 0.840 nan 8.290 nan 0.000 0.646 236 D N -0.697 119.846 120.400 0.238 0.000 2.178 236 D HA -0.032 4.390 4.640 -0.363 0.000 0.201 236 D C 0.345 176.642 176.300 -0.005 0.000 0.980 236 D CA 1.756 55.849 54.000 0.155 0.000 0.842 236 D CB 0.042 40.954 40.800 0.186 0.000 0.948 236 D HN 0.348 nan 8.370 nan 0.000 0.472 237 Y N 0.530 120.914 120.300 0.141 0.000 2.326 237 Y HA 0.281 4.613 4.550 -0.362 0.000 0.331 237 Y C 0.660 176.640 175.900 0.134 0.000 0.962 237 Y CA -0.852 57.279 58.100 0.053 0.000 1.167 237 Y CB 1.114 39.642 38.460 0.113 0.000 1.148 237 Y HN -0.015 nan 8.280 nan 0.000 0.463 238 H N 1.553 120.746 119.070 0.205 0.000 2.966 238 H HA 0.655 4.993 4.556 -0.363 0.000 0.330 238 H C -1.766 173.647 175.328 0.143 0.000 1.292 238 H CA -1.252 54.897 56.048 0.168 0.000 1.127 238 H CB 1.383 31.209 29.762 0.107 0.000 1.863 238 H HN 0.525 nan 8.280 nan 0.000 0.543 239 L N 1.510 122.924 121.223 0.318 0.000 2.334 239 L HA 0.349 4.471 4.340 -0.363 0.000 0.275 239 L C 0.113 177.135 176.870 0.253 0.000 1.036 239 L CA -0.708 54.270 54.840 0.230 0.000 0.807 239 L CB 1.538 43.714 42.059 0.194 0.000 1.231 239 L HN 0.653 nan 8.230 nan 0.000 0.438 246 T N 0.668 115.130 114.554 -0.153 0.000 2.881 246 T HA 0.503 4.635 4.350 -0.363 0.000 0.290 246 T C -1.600 172.932 174.700 -0.280 0.000 1.000 246 T CA -0.536 61.493 62.100 -0.117 0.000 0.978 246 T CB 0.623 69.383 68.868 -0.179 0.000 0.997 246 T HN 0.371 nan 8.240 nan 0.000 0.443 247 W N 2.375 123.608 121.300 -0.112 0.000 2.666 247 W HA 0.646 5.088 4.660 -0.363 0.000 0.334 247 W C -0.629 175.834 176.519 -0.093 0.000 1.051 247 W CA -1.009 56.274 57.345 -0.103 0.000 1.224 247 W CB 0.980 30.406 29.460 -0.056 0.000 1.405 247 W HN 0.388 nan 8.180 nan 0.000 0.513 248 L N 4.178 125.479 121.223 0.130 0.000 2.331 248 L HA 0.526 4.648 4.340 -0.363 0.000 0.278 248 L C 0.482 177.398 176.870 0.076 0.000 1.106 248 L CA -0.430 54.458 54.840 0.081 0.000 0.824 248 L CB 0.259 42.346 42.059 0.048 0.000 1.142 248 L HN 0.370 nan 8.230 nan 0.000 0.443 249 R N 2.413 122.872 120.500 -0.070 0.000 2.807 249 R HA 0.710 4.832 4.340 -0.363 0.000 0.276 249 R C -1.402 174.636 176.300 -0.437 0.000 0.979 249 R CA -0.928 55.031 56.100 -0.235 0.000 0.928 249 R CB 2.802 32.923 30.300 -0.298 0.000 1.191 249 R HN 0.299 nan 8.270 nan 0.000 0.471 250 V N 2.976 122.662 119.914 -0.380 0.000 2.376 250 V HA 0.199 4.101 4.120 -0.363 0.000 0.287 250 V C -0.038 175.861 176.094 -0.325 0.000 1.015 250 V CA -0.862 61.134 62.300 -0.506 0.000 0.834 250 V CB 1.182 32.715 31.823 -0.483 0.000 1.001 250 V HN 0.765 nan 8.190 nan 0.000 0.428 251 K N 3.911 124.167 120.400 -0.240 0.000 3.096 251 K HA -0.246 3.856 4.320 -0.363 0.000 0.266 251 K C 1.112 177.732 176.600 0.033 0.000 1.043 251 K CA 0.646 56.920 56.287 -0.022 0.000 0.758 251 K CB -1.535 30.921 32.500 -0.073 0.000 1.260 251 K HN 1.526 nan 8.250 nan 0.000 0.481 252 G N 0.066 108.939 108.800 0.122 0.000 2.258 252 G HA2 -0.349 3.393 3.960 -0.363 0.000 0.233 252 G HA3 -0.349 3.393 3.960 -0.363 0.000 0.233 252 G C -0.127 174.767 174.900 -0.010 0.000 1.006 252 G CA 0.368 45.524 45.100 0.093 0.000 0.620 252 G HN 0.483 nan 8.290 nan 0.000 0.511 253 E N 1.441 121.599 120.200 -0.070 0.000 2.167 253 E HA 0.439 4.571 4.350 -0.363 0.000 0.284 253 E C 0.205 176.738 176.600 -0.112 0.000 1.016 253 E CA -0.636 55.707 56.400 -0.096 0.000 0.817 253 E CB 0.323 29.971 29.700 -0.087 0.000 1.080 253 E HN 0.296 nan 8.360 nan 0.000 0.397 254 K N 2.708 123.021 120.400 -0.145 0.000 2.447 254 K HA 0.001 4.103 4.320 -0.363 0.000 0.281 254 K C 0.857 177.466 176.600 0.014 0.000 1.031 254 K CA 0.006 56.224 56.287 -0.115 0.000 1.019 254 K CB 0.876 33.106 32.500 -0.450 0.000 0.918 254 K HN 0.444 nan 8.250 nan 0.000 0.476 255 V N 1.305 121.288 119.914 0.115 0.000 3.484 255 V HA 0.292 4.194 4.120 -0.363 0.000 0.252 255 V C -0.197 176.004 176.094 0.178 0.000 1.282 255 V CA -0.120 62.249 62.300 0.116 0.000 1.104 255 V CB 0.216 32.069 31.823 0.051 0.000 0.868 255 V HN 0.492 nan 8.190 nan 0.000 0.457 256 L N 1.826 123.200 121.223 0.252 0.000 2.588 256 L HA 0.582 4.704 4.340 -0.363 0.000 0.263 256 L C -1.197 175.602 176.870 -0.119 0.000 0.935 256 L CA -0.282 54.610 54.840 0.086 0.000 0.891 256 L CB 1.912 43.972 42.059 0.002 0.000 1.318 256 L HN 0.195 nan 8.230 nan 0.000 0.409 257 N N 3.159 121.505 118.700 -0.590 0.000 2.411 257 N HA 0.106 4.628 4.740 -0.363 0.000 0.259 257 N C 1.164 176.309 175.510 -0.609 0.000 1.103 257 N CA 0.347 52.696 53.050 -1.167 0.000 0.954 257 N CB 1.629 39.280 38.487 -1.394 0.000 1.085 257 N HN 0.644 nan 8.380 nan 0.000 0.485 258 V N 2.929 122.492 119.914 -0.585 0.000 3.186 258 V HA -0.176 3.726 4.120 -0.363 0.000 0.270 258 V C 1.949 177.866 176.094 -0.295 0.000 1.149 258 V CA 1.672 63.696 62.300 -0.461 0.000 1.160 258 V CB -0.872 30.457 31.823 -0.824 0.000 0.758 258 V HN 0.766 nan 8.190 nan 0.000 0.516 259 K N 0.284 120.503 120.400 -0.301 0.000 2.360 259 K HA -0.120 3.983 4.320 -0.363 0.000 0.201 259 K C 1.608 178.131 176.600 -0.129 0.000 1.046 259 K CA 1.635 57.814 56.287 -0.181 0.000 0.945 259 K CB -0.266 32.120 32.500 -0.190 0.000 0.750 259 K HN 0.472 nan 8.250 nan 0.000 0.464 260 E N 0.662 120.771 120.200 -0.151 0.000 2.435 260 E HA 0.080 4.212 4.350 -0.363 0.000 0.195 260 E C 0.502 177.072 176.600 -0.049 0.000 1.029 260 E CA 0.430 56.775 56.400 -0.092 0.000 0.865 260 E CB -0.014 29.628 29.700 -0.097 0.000 0.833 260 E HN 0.463 nan 8.360 nan 0.000 0.510 261 M N 0.462 120.036 119.600 -0.044 0.000 2.250 261 M HA 0.123 4.385 4.480 -0.363 0.000 0.344 261 M C 1.309 177.623 176.300 0.024 0.000 1.150 261 M CA 0.116 55.425 55.300 0.014 0.000 1.147 261 M CB 1.020 33.655 32.600 0.058 0.000 1.498 261 M HN -0.260 nan 8.290 nan 0.000 0.461 262 K N 1.461 121.878 120.400 0.027 0.000 2.186 262 K HA 0.179 4.281 4.320 -0.363 0.000 0.202 262 K C 0.209 176.813 176.600 0.006 0.000 1.052 262 K CA 0.602 56.890 56.287 0.003 0.000 0.965 262 K CB 0.025 32.507 32.500 -0.030 0.000 0.746 262 K HN 0.541 nan 8.250 nan 0.000 0.457 263 L N 1.971 123.212 121.223 0.030 0.000 2.461 263 L HA 0.019 4.141 4.340 -0.363 0.000 0.272 263 L C 0.548 177.429 176.870 0.017 0.000 1.197 263 L CA -0.219 54.626 54.840 0.009 0.000 0.836 263 L CB 0.733 42.817 42.059 0.040 0.000 1.105 263 L HN 0.178 nan 8.230 nan 0.000 0.477 264 S N 0.615 116.234 115.700 -0.136 0.000 2.661 264 S HA 0.922 5.174 4.470 -0.363 0.000 0.285 264 S C -0.356 173.876 174.600 -0.613 0.000 1.138 264 S CA -0.150 57.905 58.200 -0.242 0.000 0.855 264 S CB 2.140 65.287 63.200 -0.090 0.000 1.136 264 S HN 1.256 nan 8.310 nan 0.000 0.484 265 G N 0.712 109.041 108.800 -0.784 0.000 2.907 265 G HA2 -0.107 3.635 3.960 -0.363 0.000 0.686 265 G HA3 -0.107 3.635 3.960 -0.363 0.000 0.686 265 G C 0.123 174.346 174.900 -1.128 0.000 1.115 265 G CA 0.053 44.691 45.100 -0.770 0.000 0.760 265 G HN 0.969 nan 8.290 nan 0.000 0.620 266 Q N 0.337 119.819 119.800 -0.530 0.000 2.133 266 Q HA -0.277 3.846 4.340 -0.363 0.000 0.208 266 Q C 2.359 178.264 176.000 -0.158 0.000 0.991 266 Q CA 2.509 58.190 55.803 -0.203 0.000 0.867 266 Q CB -0.180 28.573 28.738 0.026 0.000 0.911 266 Q HN 0.983 nan 8.270 nan 0.000 0.417 267 H N -1.366 117.601 119.070 -0.172 0.000 2.457 267 H HA 0.008 4.346 4.556 -0.363 0.000 0.294 267 H C 1.232 176.500 175.328 -0.101 0.000 1.064 267 H CA 1.106 57.100 56.048 -0.090 0.000 1.330 267 H CB -0.175 29.536 29.762 -0.085 0.000 1.395 267 H HN 0.280 nan 8.280 nan 0.000 0.541 268 N N 0.741 119.044 118.700 -0.662 0.000 2.409 268 N HA -0.071 4.451 4.740 -0.363 0.000 0.179 268 N C 1.724 177.172 175.510 -0.103 0.000 1.032 268 N CA 0.510 53.335 53.050 -0.375 0.000 0.898 268 N CB -0.300 37.908 38.487 -0.466 0.000 0.971 268 N HN 0.541 nan 8.380 nan 0.000 0.441 269 Y N 1.050 121.283 120.300 -0.111 0.000 2.200 269 Y HA -0.172 4.160 4.550 -0.363 0.000 0.290 269 Y C 2.826 178.714 175.900 -0.020 0.000 1.137 269 Y CA 1.199 59.270 58.100 -0.047 0.000 1.163 269 Y CB -0.380 38.067 38.460 -0.022 0.000 0.988 269 Y HN 0.167 nan 8.280 nan 0.000 0.518 270 T N -2.034 112.612 114.554 0.153 0.000 2.821 270 T HA -0.146 3.986 4.350 -0.363 0.000 0.267 270 T C 1.529 176.126 174.700 -0.172 0.000 1.046 270 T CA 1.265 63.423 62.100 0.096 0.000 1.139 270 T CB -0.450 68.578 68.868 0.266 0.000 0.871 270 T HN 0.203 nan 8.240 nan 0.000 0.454 271 N N 2.388 121.022 118.700 -0.111 0.000 2.149 271 N HA -0.012 4.510 4.740 -0.363 0.000 0.188 271 N C 2.207 177.608 175.510 -0.182 0.000 1.019 271 N CA 1.623 54.572 53.050 -0.169 0.000 0.857 271 N CB -0.819 37.630 38.487 -0.063 0.000 0.997 271 N HN 0.651 nan 8.380 nan 0.000 0.426 272 A N 1.028 123.800 122.820 -0.080 0.000 1.898 272 A HA -0.042 4.060 4.320 -0.363 0.000 0.216 272 A C 2.407 179.938 177.584 -0.089 0.000 1.181 272 A CA 0.882 52.890 52.037 -0.049 0.000 0.620 272 A CB -0.725 18.301 19.000 0.043 0.000 0.819 272 A HN 0.215 nan 8.150 nan 0.000 0.442 273 L N -0.602 120.567 121.223 -0.090 0.000 2.012 273 L HA -0.224 3.898 4.340 -0.363 0.000 0.210 273 L C 3.114 179.778 176.870 -0.343 0.000 1.073 273 L CA 1.246 56.036 54.840 -0.083 0.000 0.748 273 L CB -0.661 41.441 42.059 0.072 0.000 0.891 273 L HN 0.423 nan 8.230 nan 0.000 0.431 274 A N 0.063 122.508 122.820 -0.625 0.000 1.883 274 A HA -0.214 3.888 4.320 -0.363 0.000 0.217 274 A C 2.539 179.894 177.584 -0.381 0.000 1.186 274 A CA 1.997 53.602 52.037 -0.721 0.000 0.624 274 A CB -0.870 17.563 19.000 -0.945 0.000 0.822 274 A HN 0.414 nan 8.150 nan 0.000 0.444 275 A N -0.616 122.032 122.820 -0.287 0.000 1.902 275 A HA -0.041 4.061 4.320 -0.363 0.000 0.217 275 A C 2.203 179.689 177.584 -0.164 0.000 1.181 275 A CA 1.466 53.388 52.037 -0.192 0.000 0.623 275 A CB -0.566 18.336 19.000 -0.163 0.000 0.818 275 A HN 0.519 nan 8.150 nan 0.000 0.443 276 L N -0.821 120.307 121.223 -0.160 0.000 2.093 276 L HA -0.164 3.958 4.340 -0.363 0.000 0.208 276 L C 2.847 179.616 176.870 -0.169 0.000 1.085 276 L CA 1.497 56.286 54.840 -0.085 0.000 0.755 276 L CB -0.541 41.536 42.059 0.031 0.000 0.904 276 L HN 0.451 nan 8.230 nan 0.000 0.435 277 A N -0.025 122.503 122.820 -0.487 0.000 1.898 277 A HA -0.177 3.925 4.320 -0.363 0.000 0.216 277 A C 2.127 179.562 177.584 -0.248 0.000 1.181 277 A CA 1.315 52.918 52.037 -0.723 0.000 0.620 277 A CB -0.540 17.878 19.000 -0.970 0.000 0.819 277 A HN 0.461 nan 8.150 nan 0.000 0.442 278 L N -0.855 120.259 121.223 -0.182 0.000 2.072 278 L HA -0.111 4.012 4.340 -0.363 0.000 0.205 278 L C 3.081 179.923 176.870 -0.047 0.000 1.079 278 L CA 0.935 55.727 54.840 -0.080 0.000 0.752 278 L CB -0.587 41.431 42.059 -0.069 0.000 0.906 278 L HN 0.399 nan 8.230 nan 0.000 0.436 279 A N 0.025 122.811 122.820 -0.056 0.000 1.908 279 A HA -0.249 3.853 4.320 -0.363 0.000 0.218 279 A C 1.948 179.533 177.584 0.002 0.000 1.181 279 A CA 2.106 54.129 52.037 -0.024 0.000 0.627 279 A CB -0.551 18.433 19.000 -0.027 0.000 0.818 279 A HN 0.353 nan 8.150 nan 0.000 0.445 280 D N -0.037 120.373 120.400 0.017 0.000 2.097 280 D HA -0.052 4.370 4.640 -0.363 0.000 0.195 280 D C 2.259 178.589 176.300 0.050 0.000 0.989 280 D CA 1.588 55.624 54.000 0.059 0.000 0.827 280 D CB -0.474 40.410 40.800 0.141 0.000 0.966 280 D HN 0.416 nan 8.370 nan 0.000 0.456 281 A N 0.816 123.658 122.820 0.037 0.000 1.972 281 A HA -0.029 4.073 4.320 -0.363 0.000 0.219 281 A C 2.203 179.805 177.584 0.030 0.000 1.169 281 A CA 1.980 54.039 52.037 0.036 0.000 0.635 281 A CB -0.495 18.522 19.000 0.028 0.000 0.810 281 A HN 0.233 nan 8.150 nan 0.000 0.446 282 A N -2.020 120.813 122.820 0.022 0.000 2.167 282 A HA 0.394 4.497 4.320 -0.363 0.000 0.214 282 A C 1.809 179.404 177.584 0.019 0.000 1.151 282 A CA 1.305 53.355 52.037 0.021 0.000 0.735 282 A CB -0.776 18.233 19.000 0.016 0.000 0.802 282 A HN 1.893 nan 8.150 nan 0.000 0.467 283 G N -1.405 107.407 108.800 0.021 0.000 2.131 283 G HA2 -0.180 3.563 3.960 -0.363 0.000 0.223 283 G HA3 -0.180 3.563 3.960 -0.363 0.000 0.223 283 G C 0.013 174.922 174.900 0.014 0.000 0.990 283 G CA 0.095 45.207 45.100 0.019 0.000 0.671 283 G HN 0.409 nan 8.290 nan 0.000 0.521 284 L N 0.988 122.219 121.223 0.012 0.000 2.397 284 L HA 0.384 4.506 4.340 -0.363 0.000 0.271 284 L C -1.584 175.294 176.870 0.014 0.000 1.148 284 L CA -1.919 52.926 54.840 0.008 0.000 0.825 284 L CB 0.517 42.577 42.059 0.002 0.000 1.117 284 L HN -0.090 nan 8.230 nan 0.000 0.456 285 P HA 0.067 nan 4.420 nan 0.000 0.268 285 P C 0.195 177.506 177.300 0.018 0.000 1.204 285 P CA -0.138 62.971 63.100 0.015 0.000 0.768 285 P CB 0.576 32.282 31.700 0.011 0.000 0.842 286 R N 3.007 123.521 120.500 0.023 0.000 2.148 286 R HA -0.130 3.992 4.340 -0.363 0.000 0.227 286 R C 1.799 178.114 176.300 0.025 0.000 1.103 286 R CA 1.437 57.554 56.100 0.029 0.000 0.983 286 R CB -0.419 29.903 30.300 0.036 0.000 0.874 286 R HN 0.571 nan 8.270 nan 0.000 0.451 287 A N 0.368 123.200 122.820 0.020 0.000 1.858 287 A HA -0.183 3.919 4.320 -0.363 0.000 0.216 287 A C 2.128 179.722 177.584 0.017 0.000 1.190 287 A CA 1.980 54.028 52.037 0.019 0.000 0.617 287 A CB -0.662 18.348 19.000 0.016 0.000 0.827 287 A HN 0.517 nan 8.150 nan 0.000 0.443 288 S N -0.267 115.441 115.700 0.014 0.000 2.402 288 S HA -0.110 4.142 4.470 -0.363 0.000 0.229 288 S C 2.031 176.637 174.600 0.010 0.000 1.021 288 S CA 1.479 59.686 58.200 0.011 0.000 0.974 288 S CB -0.598 62.606 63.200 0.008 0.000 0.800 288 S HN 0.443 nan 8.310 nan 0.000 0.484 289 S N 2.514 118.220 115.700 0.010 0.000 2.355 289 S HA 0.105 4.357 4.470 -0.363 0.000 0.222 289 S C 1.836 176.442 174.600 0.010 0.000 1.031 289 S CA 1.340 59.543 58.200 0.005 0.000 0.993 289 S CB -0.623 62.583 63.200 0.009 0.000 0.859 289 S HN 0.445 nan 8.310 nan 0.000 0.453 290 L N 1.274 122.508 121.223 0.019 0.000 2.083 290 L HA -0.133 3.989 4.340 -0.363 0.000 0.209 290 L C 2.446 179.328 176.870 0.019 0.000 1.083 290 L CA 1.188 56.041 54.840 0.021 0.000 0.752 290 L CB -0.482 41.594 42.059 0.028 0.000 0.899 290 L HN 0.219 nan 8.230 nan 0.000 0.433 291 K N 1.062 121.473 120.400 0.019 0.000 2.026 291 K HA -0.147 3.956 4.320 -0.363 0.000 0.208 291 K C 2.067 178.685 176.600 0.029 0.000 1.048 291 K CA 1.690 57.989 56.287 0.021 0.000 0.929 291 K CB -0.450 32.061 32.500 0.019 0.000 0.713 291 K HN 0.181 nan 8.250 nan 0.000 0.439 292 A N 0.778 123.615 122.820 0.027 0.000 1.978 292 A HA -0.115 3.987 4.320 -0.363 0.000 0.220 292 A C 2.201 179.824 177.584 0.066 0.000 1.170 292 A CA 1.627 53.687 52.037 0.039 0.000 0.636 292 A CB -0.703 18.302 19.000 0.009 0.000 0.810 292 A HN 0.375 nan 8.150 nan 0.000 0.448 293 L N -0.274 120.977 121.223 0.046 0.000 2.201 293 L HA -0.120 4.002 4.340 -0.363 0.000 0.212 293 L C 2.769 179.684 176.870 0.076 0.000 1.105 293 L CA 1.675 56.553 54.840 0.062 0.000 0.775 293 L CB -0.481 41.597 42.059 0.031 0.000 0.913 293 L HN 0.684 nan 8.230 nan 0.000 0.440 294 T N -5.681 108.903 114.554 0.051 0.000 3.081 294 T HA -0.046 4.086 4.350 -0.363 0.000 0.255 294 T C 1.634 176.363 174.700 0.047 0.000 1.113 294 T CA 0.850 62.971 62.100 0.035 0.000 1.082 294 T CB -0.153 68.722 68.868 0.011 0.000 0.939 294 T HN 0.385 nan 8.240 nan 0.000 0.506 295 T N -1.520 113.079 114.554 0.076 0.000 3.034 295 T HA 0.308 4.440 4.350 -0.363 0.000 0.248 295 T C 0.472 175.240 174.700 0.112 0.000 1.040 295 T CA -0.655 61.491 62.100 0.076 0.000 1.107 295 T CB -0.848 68.063 68.868 0.071 0.000 0.932 295 T HN 0.337 nan 8.240 nan 0.000 0.474 296 F N 4.378 124.330 119.950 0.004 0.000 2.569 296 F HA 0.156 4.466 4.527 -0.363 0.000 0.395 296 F C 1.706 177.511 175.800 0.009 0.000 1.028 296 F CA 0.434 58.438 58.000 0.007 0.000 1.158 296 F CB 0.836 39.840 39.000 0.005 0.000 1.023 296 F HN 0.256 nan 8.300 nan 0.000 0.547 297 T N 2.186 116.354 114.554 -0.645 0.000 3.057 297 T HA 0.489 4.621 4.350 -0.363 0.000 0.254 297 T C 0.803 175.107 174.700 -0.659 0.000 1.094 297 T CA 0.296 62.096 62.100 -0.499 0.000 1.088 297 T CB -0.185 68.517 68.868 -0.276 0.000 0.934 297 T HN 1.206 nan 8.240 nan 0.000 0.497 298 G N 0.572 108.558 108.800 -1.357 0.000 2.440 298 G HA2 0.175 3.917 3.960 -0.363 0.000 0.684 298 G HA3 0.175 3.917 3.960 -0.363 0.000 0.684 298 G C -1.315 173.362 174.900 -0.371 0.000 1.309 298 G CA -0.931 43.762 45.100 -0.678 0.000 0.931 298 G HN 0.461 nan 8.290 nan 0.000 0.612 299 L N 0.899 122.118 121.223 -0.007 0.000 2.360 299 L HA 0.553 4.676 4.340 -0.363 0.000 0.271 299 L C -1.835 175.056 176.870 0.035 0.000 1.057 299 L CA -2.063 52.838 54.840 0.102 0.000 0.803 299 L CB 1.788 43.978 42.059 0.219 0.000 1.207 299 L HN 0.363 nan 8.230 nan 0.000 0.445 300 P HA 0.102 nan 4.420 nan 0.000 0.269 300 P C -0.485 176.725 177.300 -0.150 0.000 1.209 300 P CA 0.200 63.176 63.100 -0.208 0.000 0.776 300 P CB 0.273 31.785 31.700 -0.314 0.000 0.876 301 H N -1.773 117.372 119.070 0.125 0.000 3.642 301 H HA -0.157 4.181 4.556 -0.363 0.000 0.185 301 H C 0.331 175.706 175.328 0.078 0.000 0.992 301 H CA 0.636 56.766 56.048 0.138 0.000 1.216 301 H CB -1.123 28.825 29.762 0.311 0.000 1.055 301 H HN 0.333 nan 8.280 nan 0.000 0.351 302 R N 0.424 121.005 120.500 0.136 0.000 2.287 302 R HA 0.291 4.414 4.340 -0.363 0.000 0.316 302 R C -0.529 175.886 176.300 0.190 0.000 1.050 302 R CA -1.134 55.047 56.100 0.135 0.000 0.983 302 R CB -1.109 29.270 30.300 0.133 0.000 1.140 302 R HN 0.187 nan 8.270 nan 0.000 0.528 303 F N 1.650 121.606 119.950 0.011 0.000 2.783 303 F HA -0.305 4.004 4.527 -0.363 0.000 0.222 303 F C -0.141 175.667 175.800 0.013 0.000 1.028 303 F CA 1.275 59.280 58.000 0.008 0.000 0.862 303 F CB -0.046 38.968 39.000 0.023 0.000 0.744 303 F HN 0.621 nan 8.300 nan 0.000 0.850 304 E N 1.574 121.762 120.200 -0.019 0.000 2.109 304 E HA 0.405 4.537 4.350 -0.363 0.000 0.278 304 E C -0.531 176.058 176.600 -0.018 0.000 0.954 304 E CA -0.741 55.658 56.400 -0.001 0.000 0.779 304 E CB 1.076 30.760 29.700 -0.026 0.000 1.093 304 E HN 0.137 nan 8.360 nan 0.000 0.401 305 V N 6.279 126.200 119.914 0.012 0.000 2.421 305 V HA -0.036 3.866 4.120 -0.363 0.000 0.271 305 V C 1.354 177.485 176.094 0.060 0.000 1.031 305 V CA 0.157 62.483 62.300 0.043 0.000 1.032 305 V CB 0.520 32.381 31.823 0.062 0.000 1.009 305 V HN 0.710 nan 8.190 nan 0.000 0.477 306 V N 3.374 123.352 119.914 0.107 0.000 3.307 306 V HA 0.410 4.312 4.120 -0.363 0.000 0.253 306 V C 0.220 176.325 176.094 0.018 0.000 1.149 306 V CA 0.520 62.856 62.300 0.061 0.000 1.112 306 V CB 0.527 32.398 31.823 0.081 0.000 0.777 306 V HN 0.541 nan 8.190 nan 0.000 0.464 307 L N 0.951 122.228 121.223 0.090 0.000 2.588 307 L HA 0.637 4.759 4.340 -0.363 0.000 0.263 307 L C -1.142 175.875 176.870 0.245 0.000 0.935 307 L CA -0.638 54.245 54.840 0.071 0.000 0.891 307 L CB 1.924 43.887 42.059 -0.160 0.000 1.318 307 L HN 0.353 nan 8.230 nan 0.000 0.409 308 E N 3.468 123.783 120.200 0.191 0.000 2.402 308 E HA 0.448 4.580 4.350 -0.363 0.000 0.244 308 E C -1.768 174.976 176.600 0.239 0.000 0.945 308 E CA -0.443 56.087 56.400 0.215 0.000 0.774 308 E CB 0.588 30.372 29.700 0.141 0.000 1.296 308 E HN 0.720 nan 8.360 nan 0.000 0.414 309 H N 3.236 122.394 119.070 0.146 0.000 2.894 309 H HA 0.353 4.691 4.556 -0.363 0.000 0.367 309 H C -0.381 175.019 175.328 0.121 0.000 1.144 309 H CA -0.528 55.579 56.048 0.099 0.000 1.180 309 H CB 0.876 30.668 29.762 0.050 0.000 1.758 309 H HN 0.465 nan 8.280 nan 0.000 0.541 310 N N 2.841 121.275 118.700 -0.444 0.000 2.725 310 N HA -0.169 4.354 4.740 -0.363 0.000 0.249 310 N C 0.827 176.300 175.510 -0.062 0.000 1.103 310 N CA 1.767 54.655 53.050 -0.270 0.000 0.707 310 N CB -1.420 36.899 38.487 -0.280 0.000 1.043 310 N HN 1.224 nan 8.380 nan 0.000 0.553 311 G N -2.694 106.094 108.800 -0.020 0.000 2.143 311 G HA2 -0.257 3.485 3.960 -0.363 0.000 0.248 311 G HA3 -0.257 3.485 3.960 -0.363 0.000 0.248 311 G C -0.188 174.721 174.900 0.015 0.000 0.991 311 G CA 0.343 45.448 45.100 0.008 0.000 0.689 311 G HN 0.606 nan 8.290 nan 0.000 0.522 312 V N 0.334 120.274 119.914 0.044 0.000 2.577 312 V HA 0.584 4.486 4.120 -0.363 0.000 0.303 312 V C 0.279 176.401 176.094 0.048 0.000 1.042 312 V CA -1.090 61.204 62.300 -0.010 0.000 0.872 312 V CB 1.760 33.548 31.823 -0.058 0.000 0.998 312 V HN 0.388 nan 8.190 nan 0.000 0.423 313 R N 3.285 123.764 120.500 -0.035 0.000 2.312 313 R HA 0.477 4.599 4.340 -0.363 0.000 0.311 313 R C -1.657 174.610 176.300 -0.054 0.000 1.004 313 R CA -0.368 55.763 56.100 0.053 0.000 0.902 313 R CB 1.359 31.687 30.300 0.048 0.000 1.073 313 R HN 0.608 nan 8.270 nan 0.000 0.457 314 W N 4.103 125.429 121.300 0.044 0.000 2.329 314 W HA 0.415 4.857 4.660 -0.363 0.000 0.312 314 W C -0.592 176.016 176.519 0.148 0.000 1.054 314 W CA -0.499 56.917 57.345 0.119 0.000 1.245 314 W CB 0.582 30.053 29.460 0.019 0.000 1.255 314 W HN 0.326 nan 8.180 nan 0.000 0.436 315 I N 3.713 124.430 120.570 0.245 0.000 2.355 315 I HA 0.142 4.094 4.170 -0.363 0.000 0.288 315 I C 0.042 176.066 176.117 -0.155 0.000 0.999 315 I CA -0.698 60.557 61.300 -0.076 0.000 1.163 315 I CB 1.140 38.809 38.000 -0.552 0.000 1.316 315 I HN 0.277 nan 8.210 nan 0.000 0.454 316 N N 4.550 123.227 118.700 -0.039 0.000 2.439 316 N HA 0.082 4.604 4.740 -0.363 0.000 0.243 316 N C -0.437 174.983 175.510 -0.150 0.000 1.088 316 N CA 0.016 52.973 53.050 -0.155 0.000 0.940 316 N CB 0.471 39.056 38.487 0.162 0.000 1.180 316 N HN 0.453 nan 8.380 nan 0.000 0.505 317 D N 1.488 121.750 120.400 -0.230 0.000 2.894 317 D HA 0.127 4.549 4.640 -0.363 0.000 0.273 317 D C 0.961 177.215 176.300 -0.076 0.000 1.328 317 D CA -0.075 53.867 54.000 -0.095 0.000 0.845 317 D CB 0.014 40.771 40.800 -0.072 0.000 1.072 317 D HN 0.407 nan 8.370 nan 0.000 0.484 318 S N 0.009 115.694 115.700 -0.026 0.000 2.440 318 S HA -0.199 4.053 4.470 -0.363 0.000 0.238 318 S C 1.802 176.380 174.600 -0.036 0.000 1.010 318 S CA 1.163 59.371 58.200 0.013 0.000 0.972 318 S CB -0.032 63.228 63.200 0.100 0.000 0.774 318 S HN 0.302 nan 8.310 nan 0.000 0.501 319 K N 0.786 121.112 120.400 -0.124 0.000 2.439 319 K HA 0.190 4.292 4.320 -0.363 0.000 0.197 319 K C 0.520 176.911 176.600 -0.349 0.000 1.041 319 K CA 0.578 56.537 56.287 -0.548 0.000 0.970 319 K CB -0.214 32.045 32.500 -0.402 0.000 0.773 319 K HN 0.357 nan 8.250 nan 0.000 0.479 320 A N 1.557 124.270 122.820 -0.178 0.000 2.785 320 A HA 0.030 4.132 4.320 -0.363 0.000 0.294 320 A C 0.663 178.177 177.584 -0.118 0.000 1.597 320 A CA 0.169 52.129 52.037 -0.129 0.000 1.283 320 A CB -0.519 18.430 19.000 -0.085 0.000 1.088 320 A HN 0.396 nan 8.150 nan 0.000 0.568 321 T N -1.330 113.142 114.554 -0.136 0.000 3.105 321 T HA 0.230 4.362 4.350 -0.363 0.000 0.253 321 T C 0.241 174.897 174.700 -0.074 0.000 1.047 321 T CA 0.081 62.127 62.100 -0.090 0.000 0.944 321 T CB -0.670 68.139 68.868 -0.098 0.000 1.016 321 T HN 0.749 nan 8.240 nan 0.000 0.544 322 N N -1.136 117.522 118.700 -0.071 0.000 2.732 322 N HA 0.412 4.935 4.740 -0.363 0.000 0.259 322 N C 0.516 176.021 175.510 -0.009 0.000 1.402 322 N CA -0.985 52.033 53.050 -0.052 0.000 0.829 322 N CB 1.120 39.541 38.487 -0.110 0.000 1.495 322 N HN -0.193 nan 8.380 nan 0.000 0.511 323 V N 0.096 120.027 119.914 0.029 0.000 2.332 323 V HA -0.095 3.807 4.120 -0.363 0.000 0.248 323 V C 2.265 178.366 176.094 0.012 0.000 1.055 323 V CA 2.528 64.865 62.300 0.061 0.000 1.038 323 V CB -1.264 30.614 31.823 0.091 0.000 0.651 323 V HN 0.911 nan 8.190 nan 0.000 0.450 324 G N -1.366 107.429 108.800 -0.007 0.000 2.432 324 G HA2 -0.270 3.472 3.960 -0.363 0.000 0.219 324 G HA3 -0.270 3.472 3.960 -0.363 0.000 0.219 324 G C 1.904 176.762 174.900 -0.071 0.000 1.135 324 G CA 1.218 46.306 45.100 -0.021 0.000 0.767 324 G HN 0.491 nan 8.290 nan 0.000 0.550 325 S N -0.102 115.551 115.700 -0.078 0.000 2.355 325 S HA -0.105 4.147 4.470 -0.363 0.000 0.222 325 S C 2.559 177.082 174.600 -0.129 0.000 1.031 325 S CA 2.103 60.234 58.200 -0.114 0.000 0.993 325 S CB -0.572 62.568 63.200 -0.101 0.000 0.859 325 S HN 0.357 nan 8.310 nan 0.000 0.453 326 T N 2.592 117.090 114.554 -0.094 0.000 2.720 326 T HA -0.153 3.979 4.350 -0.363 0.000 0.268 326 T C 1.765 176.367 174.700 -0.163 0.000 1.037 326 T CA 1.721 63.763 62.100 -0.097 0.000 1.144 326 T CB -0.584 68.245 68.868 -0.065 0.000 0.864 326 T HN 0.823 nan 8.240 nan 0.000 0.444 327 E N 1.934 122.035 120.200 -0.164 0.000 2.097 327 E HA -0.171 3.961 4.350 -0.363 0.000 0.196 327 E C 2.342 178.736 176.600 -0.342 0.000 1.000 327 E CA 1.312 57.541 56.400 -0.285 0.000 0.804 327 E CB -0.455 29.161 29.700 -0.141 0.000 0.740 327 E HN 0.481 nan 8.360 nan 0.000 0.454 328 A N 1.306 123.956 122.820 -0.285 0.000 2.019 328 A HA 0.019 4.121 4.320 -0.363 0.000 0.219 328 A C 2.414 179.760 177.584 -0.396 0.000 1.164 328 A CA 1.681 53.474 52.037 -0.407 0.000 0.644 328 A CB -0.594 18.024 19.000 -0.637 0.000 0.805 328 A HN 0.471 nan 8.150 nan 0.000 0.449 329 A N -0.550 122.111 122.820 -0.265 0.000 1.930 329 A HA 0.186 4.288 4.320 -0.363 0.000 0.215 329 A C 2.060 179.573 177.584 -0.119 0.000 1.176 329 A CA 1.154 53.123 52.037 -0.114 0.000 0.632 329 A CB -0.346 18.707 19.000 0.089 0.000 0.819 329 A HN 0.441 nan 8.150 nan 0.000 0.445 330 L N -0.608 120.457 121.223 -0.262 0.000 2.209 330 L HA 0.019 4.141 4.340 -0.363 0.000 0.207 330 L C 0.931 177.582 176.870 -0.364 0.000 1.094 330 L CA 0.197 54.842 54.840 -0.325 0.000 0.790 330 L CB -0.539 41.215 42.059 -0.507 0.000 0.932 330 L HN 0.376 nan 8.230 nan 0.000 0.447 331 N N 1.119 119.532 118.700 -0.477 0.000 2.423 331 N HA 0.146 4.668 4.740 -0.363 0.000 0.275 331 N C 0.898 176.396 175.510 -0.020 0.000 1.283 331 N CA 0.999 53.941 53.050 -0.181 0.000 0.932 331 N CB 0.310 38.734 38.487 -0.104 0.000 1.185 331 N HN 0.334 nan 8.380 nan 0.000 0.483 332 G N 2.529 111.369 108.800 0.067 0.000 2.147 332 G HA2 -0.284 3.458 3.960 -0.363 0.000 0.244 332 G HA3 -0.284 3.458 3.960 -0.363 0.000 0.244 332 G C -0.027 174.905 174.900 0.053 0.000 1.005 332 G CA 0.197 45.336 45.100 0.064 0.000 0.713 332 G HN 0.658 nan 8.290 nan 0.000 0.515 333 L N 1.010 122.258 121.223 0.042 0.000 2.416 333 L HA 0.638 4.761 4.340 -0.363 0.000 0.272 333 L C 0.480 177.418 176.870 0.113 0.000 1.161 333 L CA -0.860 54.016 54.840 0.059 0.000 0.845 333 L CB 0.519 42.607 42.059 0.048 0.000 1.119 333 L HN 0.339 nan 8.230 nan 0.000 0.464 334 H N 4.070 123.162 119.070 0.037 0.000 2.556 334 H HA 0.602 4.941 4.556 -0.363 0.000 0.310 334 H C -1.333 174.020 175.328 0.041 0.000 1.057 334 H CA -0.489 55.581 56.048 0.036 0.000 1.264 334 H CB 0.858 30.639 29.762 0.032 0.000 1.404 334 H HN 0.430 nan 8.280 nan 0.000 0.462 335 V N 6.283 125.893 119.914 -0.506 0.000 2.531 335 V HA 0.098 4.001 4.120 -0.363 0.000 0.301 335 V C 0.407 176.215 176.094 -0.477 0.000 1.034 335 V CA -0.704 61.361 62.300 -0.391 0.000 0.865 335 V CB 1.939 33.660 31.823 -0.171 0.000 0.995 335 V HN 0.902 nan 8.190 nan 0.000 0.424 336 D N 3.234 123.423 120.400 -0.352 0.000 2.103 336 D HA -0.013 4.410 4.640 -0.363 0.000 0.199 336 D C 1.335 177.574 176.300 -0.102 0.000 0.978 336 D CA 1.669 55.560 54.000 -0.182 0.000 0.829 336 D CB 0.475 41.240 40.800 -0.057 0.000 0.981 336 D HN 0.696 nan 8.370 nan 0.000 0.464 337 G N -0.112 108.635 108.800 -0.088 0.000 3.387 337 G HA2 0.202 3.944 3.960 -0.363 0.000 0.195 337 G HA3 0.202 3.944 3.960 -0.363 0.000 0.195 337 G C -0.142 174.705 174.900 -0.088 0.000 1.853 337 G CA -0.050 45.014 45.100 -0.061 0.000 0.879 337 G HN 0.026 nan 8.290 nan 0.000 0.651 338 T N 0.725 115.219 114.554 -0.101 0.000 2.829 338 T HA 0.455 4.587 4.350 -0.363 0.000 0.282 338 T C -0.668 173.858 174.700 -0.291 0.000 0.990 338 T CA -0.196 61.780 62.100 -0.207 0.000 1.028 338 T CB 1.693 70.402 68.868 -0.265 0.000 0.951 338 T HN 0.343 nan 8.240 nan 0.000 0.460 339 L N 4.741 125.805 121.223 -0.266 0.000 2.260 339 L HA 0.310 4.433 4.340 -0.363 0.000 0.289 339 L C -0.320 176.385 176.870 -0.275 0.000 1.057 339 L CA -0.137 54.581 54.840 -0.203 0.000 0.811 339 L CB 0.146 42.146 42.059 -0.098 0.000 1.184 339 L HN 0.626 nan 8.230 nan 0.000 0.429 340 H N 6.625 125.715 119.070 0.033 0.000 2.724 340 H HA 0.257 4.595 4.556 -0.363 0.000 0.278 340 H C -0.778 174.652 175.328 0.170 0.000 1.159 340 H CA -0.675 55.492 56.048 0.198 0.000 1.254 340 H CB 1.164 30.974 29.762 0.081 0.000 1.412 340 H HN 0.463 nan 8.280 nan 0.000 0.488 341 L N 4.631 126.001 121.223 0.246 0.000 2.264 341 L HA 0.268 4.390 4.340 -0.363 0.000 0.289 341 L C -0.828 176.181 176.870 0.232 0.000 1.044 341 L CA -0.432 54.498 54.840 0.150 0.000 0.807 341 L CB 0.626 42.713 42.059 0.047 0.000 1.192 341 L HN 0.393 nan 8.230 nan 0.000 0.425 342 L N 6.702 128.044 121.223 0.199 0.000 2.265 342 L HA 0.468 4.590 4.340 -0.363 0.000 0.288 342 L C -0.633 176.333 176.870 0.159 0.000 1.058 342 L CA 0.110 55.122 54.840 0.287 0.000 0.809 342 L CB 0.794 43.044 42.059 0.319 0.000 1.179 342 L HN 0.546 nan 8.230 nan 0.000 0.429 343 L N 3.376 124.630 121.223 0.052 0.000 2.381 343 L HA 0.994 5.117 4.340 -0.363 0.000 0.268 343 L C 0.149 176.637 176.870 -0.637 0.000 0.997 343 L CA -0.541 54.160 54.840 -0.231 0.000 0.818 343 L CB 2.129 44.039 42.059 -0.249 0.000 1.310 343 L HN 0.694 nan 8.230 nan 0.000 0.416 344 G N 0.454 108.781 108.800 -0.789 0.000 2.340 344 G HA2 0.539 4.281 3.960 -0.363 0.000 0.300 344 G HA3 0.539 4.281 3.960 -0.363 0.000 0.300 344 G C -0.694 173.803 174.900 -0.671 0.000 1.488 344 G CA 0.310 44.734 45.100 -1.126 0.000 0.878 344 G HN 1.089 nan 8.290 nan 0.000 0.618 345 G N -0.099 108.484 108.800 -0.362 0.000 2.301 345 G HA2 0.404 4.146 3.960 -0.363 0.000 0.194 345 G HA3 0.404 4.146 3.960 -0.363 0.000 0.194 345 G C -1.385 173.531 174.900 0.028 0.000 1.266 345 G CA 0.535 45.618 45.100 -0.028 0.000 1.210 345 G HN 1.504 nan 8.290 nan 0.000 0.524 346 D N 1.062 121.511 120.400 0.082 0.000 2.443 346 D HA 0.534 4.956 4.640 -0.363 0.000 0.221 346 D C 1.458 177.824 176.300 0.109 0.000 1.097 346 D CA 0.656 54.712 54.000 0.093 0.000 0.865 346 D CB 0.622 41.477 40.800 0.093 0.000 1.034 346 D HN 0.877 nan 8.370 nan 0.000 0.511 347 G N 2.899 111.802 108.800 0.171 0.000 2.679 347 G HA2 -0.164 3.578 3.960 -0.363 0.000 0.212 347 G HA3 -0.164 3.578 3.960 -0.363 0.000 0.212 347 G C 0.639 175.537 174.900 -0.004 0.000 1.137 347 G CA -0.067 45.166 45.100 0.222 0.000 0.787 347 G HN 0.722 nan 8.290 nan 0.000 0.534 348 K N -0.671 119.730 120.400 0.001 0.000 3.071 348 K HA -0.206 3.897 4.320 -0.363 0.000 0.265 348 K C 0.991 177.542 176.600 -0.080 0.000 1.060 348 K CA 0.365 56.637 56.287 -0.025 0.000 0.767 348 K CB -1.839 30.645 32.500 -0.027 0.000 1.241 348 K HN 0.270 nan 8.250 nan 0.000 0.486 349 S N -2.959 112.680 115.700 -0.101 0.000 3.445 349 S HA -0.279 3.973 4.470 -0.363 0.000 0.319 349 S C 0.503 174.956 174.600 -0.245 0.000 1.209 349 S CA 0.870 58.983 58.200 -0.145 0.000 0.934 349 S CB -1.144 62.001 63.200 -0.092 0.000 0.999 349 S HN 0.810 nan 8.310 nan 0.000 0.582 350 A N 1.137 123.734 122.820 -0.373 0.000 2.425 350 A HA 0.414 4.516 4.320 -0.363 0.000 0.242 350 A C 0.310 177.523 177.584 -0.617 0.000 1.077 350 A CA 0.055 51.814 52.037 -0.463 0.000 0.781 350 A CB 0.218 18.933 19.000 -0.476 0.000 1.020 350 A HN 0.333 nan 8.150 nan 0.000 0.494 351 D N 0.988 121.157 120.400 -0.385 0.000 2.339 351 D HA 0.292 4.714 4.640 -0.363 0.000 0.241 351 D C 0.137 176.287 176.300 -0.250 0.000 1.183 351 D CA -0.068 53.754 54.000 -0.296 0.000 0.859 351 D CB -0.162 40.558 40.800 -0.134 0.000 1.067 351 D HN 0.375 nan 8.370 nan 0.000 0.484 352 F N 1.439 121.377 119.950 -0.021 0.000 2.780 352 F HA -0.071 4.238 4.527 -0.363 0.000 0.299 352 F C 2.593 178.390 175.800 -0.005 0.000 1.146 352 F CA 0.130 58.119 58.000 -0.018 0.000 1.428 352 F CB 0.079 39.063 39.000 -0.027 0.000 1.115 352 F HN 0.378 nan 8.300 nan 0.000 0.583 353 S N 0.512 116.293 115.700 0.135 0.000 2.419 353 S HA -0.123 4.129 4.470 -0.363 0.000 0.235 353 S C -0.637 174.006 174.600 0.073 0.000 1.019 353 S CA 0.664 58.916 58.200 0.087 0.000 0.982 353 S CB -1.656 61.569 63.200 0.042 0.000 0.789 353 S HN 0.184 nan 8.310 nan 0.000 0.490 354 P HA 0.015 nan 4.420 nan 0.000 0.223 354 P C 0.930 178.317 177.300 0.144 0.000 1.144 354 P CA 0.624 63.774 63.100 0.083 0.000 0.783 354 P CB -0.146 31.605 31.700 0.086 0.000 0.771 355 L N -1.237 120.086 121.223 0.166 0.000 2.313 355 L HA 0.016 4.138 4.340 -0.363 0.000 0.214 355 L C 2.404 179.376 176.870 0.169 0.000 1.119 355 L CA 1.178 56.150 54.840 0.220 0.000 0.809 355 L CB -1.667 40.475 42.059 0.139 0.000 0.933 355 L HN -0.096 nan 8.230 nan 0.000 0.449 356 A N 0.005 122.870 122.820 0.075 0.000 1.917 356 A HA -0.303 3.799 4.320 -0.363 0.000 0.219 356 A C 2.503 180.072 177.584 -0.024 0.000 1.182 356 A CA 2.029 54.080 52.037 0.023 0.000 0.633 356 A CB -0.663 18.340 19.000 0.006 0.000 0.819 356 A HN 0.402 nan 8.150 nan 0.000 0.448 357 R N -1.594 118.837 120.500 -0.114 0.000 2.154 357 R HA -0.211 3.911 4.340 -0.363 0.000 0.248 357 R C 1.133 177.230 176.300 -0.338 0.000 1.155 357 R CA 2.089 58.016 56.100 -0.288 0.000 0.979 357 R CB -0.342 29.651 30.300 -0.512 0.000 0.869 357 R HN 0.674 nan 8.270 nan 0.000 0.452 358 Y N -0.710 119.587 120.300 -0.006 0.000 2.457 358 Y HA 0.182 4.515 4.550 -0.363 0.000 0.263 358 Y C 0.917 176.807 175.900 -0.017 0.000 1.164 358 Y CA -0.050 58.045 58.100 -0.008 0.000 1.274 358 Y CB 0.615 39.072 38.460 -0.005 0.000 1.097 358 Y HN -0.019 nan 8.280 nan 0.000 0.523 359 L N 0.057 121.330 121.223 0.083 0.000 3.066 359 L HA 0.241 4.364 4.340 -0.363 0.000 0.265 359 L C -0.101 176.769 176.870 0.000 0.000 1.232 359 L CA -0.220 54.643 54.840 0.038 0.000 1.031 359 L CB -0.143 41.932 42.059 0.027 0.000 1.379 359 L HN 0.113 nan 8.230 nan 0.000 0.563 360 N N 1.056 119.753 118.700 -0.004 0.000 2.434 360 N HA 0.653 5.175 4.740 -0.363 0.000 0.266 360 N C 0.474 175.975 175.510 -0.015 0.000 1.223 360 N CA 0.653 53.693 53.050 -0.017 0.000 0.972 360 N CB 1.624 40.097 38.487 -0.024 0.000 1.207 360 N HN 0.186 nan 8.380 nan 0.000 0.525 361 G N 0.157 108.946 108.800 -0.019 0.000 2.541 361 G HA2 -0.164 3.578 3.960 -0.363 0.000 0.686 361 G HA3 -0.164 3.578 3.960 -0.363 0.000 0.686 361 G C -0.848 174.036 174.900 -0.027 0.000 1.286 361 G CA -0.513 44.576 45.100 -0.019 0.000 0.894 361 G HN 0.488 nan 8.290 nan 0.000 0.575 362 D N 0.159 120.543 120.400 -0.027 0.000 2.339 362 D HA 0.137 4.559 4.640 -0.363 0.000 0.217 362 D C 1.320 177.594 176.300 -0.043 0.000 1.050 362 D CA 0.331 54.313 54.000 -0.030 0.000 0.856 362 D CB 0.206 40.993 40.800 -0.020 0.000 0.922 362 D HN 0.312 nan 8.370 nan 0.000 0.518 363 N N 0.624 119.293 118.700 -0.052 0.000 2.328 363 N HA 0.101 4.623 4.740 -0.363 0.000 0.247 363 N C -0.756 174.688 175.510 -0.111 0.000 1.165 363 N CA 0.035 53.038 53.050 -0.078 0.000 0.873 363 N CB 2.177 40.623 38.487 -0.068 0.000 1.125 363 N HN 0.037 nan 8.380 nan 0.000 0.513 364 V N 0.539 120.390 119.914 -0.104 0.000 2.709 364 V HA 0.577 4.479 4.120 -0.363 0.000 0.308 364 V C -1.466 174.546 176.094 -0.136 0.000 1.062 364 V CA -0.663 61.566 62.300 -0.119 0.000 0.901 364 V CB 2.540 34.322 31.823 -0.069 0.000 1.003 364 V HN -0.003 nan 8.190 nan 0.000 0.425 365 R N 5.966 126.368 120.500 -0.163 0.000 2.628 365 R HA 0.614 4.736 4.340 -0.363 0.000 0.288 365 R C -1.480 174.648 176.300 -0.286 0.000 0.980 365 R CA -0.570 55.394 56.100 -0.226 0.000 0.891 365 R CB 2.000 32.213 30.300 -0.144 0.000 1.188 365 R HN 0.756 nan 8.270 nan 0.000 0.450 366 L N 3.219 124.194 121.223 -0.414 0.000 2.317 366 L HA 0.537 4.659 4.340 -0.363 0.000 0.281 366 L C -0.873 175.679 176.870 -0.530 0.000 1.024 366 L CA -0.902 53.757 54.840 -0.301 0.000 0.810 366 L CB 1.047 43.004 42.059 -0.170 0.000 1.240 366 L HN 0.486 nan 8.230 nan 0.000 0.427 367 Y N 1.289 121.635 120.300 0.076 0.000 2.426 367 Y HA 0.377 4.709 4.550 -0.363 0.000 0.325 367 Y C -0.327 175.676 175.900 0.171 0.000 0.989 367 Y CA -0.756 57.420 58.100 0.127 0.000 1.284 367 Y CB 1.531 40.086 38.460 0.158 0.000 1.104 367 Y HN 0.461 nan 8.280 nan 0.000 0.481 368 C N 4.714 124.139 119.300 0.208 0.000 2.382 368 C HA 0.845 5.087 4.460 -0.363 0.000 0.327 368 C C -0.221 174.877 174.990 0.180 0.000 1.250 368 C CA -1.061 58.004 59.018 0.078 0.000 1.707 368 C CB -0.722 26.980 27.740 -0.064 0.000 2.272 368 C HN 0.783 nan 8.230 nan 0.000 0.506 369 F N -0.257 119.719 119.950 0.044 0.000 2.869 369 F HA 0.946 5.255 4.527 -0.363 0.000 0.325 369 F C 0.280 176.117 175.800 0.061 0.000 1.184 369 F CA -0.068 57.971 58.000 0.065 0.000 0.951 369 F CB 0.519 39.580 39.000 0.101 0.000 1.421 369 F HN 1.234 nan 8.300 nan 0.000 0.501 370 G N 0.670 109.641 108.800 0.286 0.000 2.782 370 G HA2 -0.232 3.510 3.960 -0.363 0.000 0.228 370 G HA3 -0.232 3.510 3.960 -0.363 0.000 0.228 370 G C 0.419 175.360 174.900 0.069 0.000 1.372 370 G CA 0.211 45.419 45.100 0.181 0.000 0.862 370 G HN 1.254 nan 8.290 nan 0.000 0.547 371 R N -0.516 120.025 120.500 0.069 0.000 2.159 371 R HA -0.180 3.942 4.340 -0.363 0.000 0.249 371 R C 1.281 177.604 176.300 0.039 0.000 1.136 371 R CA 2.532 58.664 56.100 0.053 0.000 0.951 371 R CB -0.297 30.038 30.300 0.059 0.000 0.876 371 R HN 0.553 nan 8.270 nan 0.000 0.440 372 D N -1.087 119.327 120.400 0.025 0.000 2.395 372 D HA 0.097 4.519 4.640 -0.363 0.000 0.226 372 D C 1.140 177.417 176.300 -0.038 0.000 1.146 372 D CA 0.433 54.458 54.000 0.042 0.000 0.830 372 D CB 0.514 41.411 40.800 0.163 0.000 0.958 372 D HN 0.480 nan 8.370 nan 0.000 0.501 373 G N 1.325 110.088 108.800 -0.060 0.000 2.446 373 G HA2 -0.293 3.449 3.960 -0.363 0.000 0.217 373 G HA3 -0.293 3.449 3.960 -0.363 0.000 0.217 373 G C 1.687 176.555 174.900 -0.053 0.000 1.168 373 G CA 0.983 46.031 45.100 -0.087 0.000 0.771 373 G HN 0.380 nan 8.290 nan 0.000 0.551 374 A N 0.136 122.951 122.820 -0.008 0.000 1.940 374 A HA -0.143 3.960 4.320 -0.363 0.000 0.219 374 A C 2.290 179.877 177.584 0.004 0.000 1.176 374 A CA 2.150 54.188 52.037 0.003 0.000 0.631 374 A CB -0.510 18.500 19.000 0.017 0.000 0.814 374 A HN 0.492 nan 8.150 nan 0.000 0.446 375 Q N -0.578 119.239 119.800 0.027 0.000 2.084 375 Q HA -0.109 4.014 4.340 -0.363 0.000 0.202 375 Q C 1.952 177.968 176.000 0.027 0.000 0.978 375 Q CA 1.489 57.344 55.803 0.086 0.000 0.844 375 Q CB -0.204 28.669 28.738 0.225 0.000 0.898 375 Q HN 0.706 nan 8.270 nan 0.000 0.426 376 L N -0.241 120.896 121.223 -0.142 0.000 2.072 376 L HA -0.079 4.043 4.340 -0.363 0.000 0.205 376 L C 2.551 179.333 176.870 -0.147 0.000 1.079 376 L CA 0.836 55.504 54.840 -0.287 0.000 0.752 376 L CB -0.598 41.181 42.059 -0.467 0.000 0.906 376 L HN 0.248 nan 8.230 nan 0.000 0.436 377 A N 0.346 123.106 122.820 -0.100 0.000 1.948 377 A HA -0.231 3.871 4.320 -0.363 0.000 0.220 377 A C 2.421 179.979 177.584 -0.043 0.000 1.177 377 A CA 1.820 53.819 52.037 -0.065 0.000 0.636 377 A CB -0.743 18.233 19.000 -0.040 0.000 0.815 377 A HN 0.412 nan 8.150 nan 0.000 0.449 378 A N -0.670 122.135 122.820 -0.024 0.000 2.216 378 A HA 0.132 4.234 4.320 -0.363 0.000 0.214 378 A C 1.934 179.517 177.584 -0.002 0.000 1.160 378 A CA 1.012 53.046 52.037 -0.005 0.000 0.725 378 A CB -0.575 18.433 19.000 0.014 0.000 0.784 378 A HN 0.503 nan 8.150 nan 0.000 0.472 379 L N -1.866 119.350 121.223 -0.011 0.000 2.131 379 L HA -0.024 4.098 4.340 -0.363 0.000 0.210 379 L C 1.612 178.474 176.870 -0.014 0.000 1.092 379 L CA 1.125 55.964 54.840 -0.003 0.000 0.759 379 L CB -0.037 42.015 42.059 -0.011 0.000 0.903 379 L HN 0.432 nan 8.230 nan 0.000 0.435 380 R N -0.901 119.582 120.500 -0.028 0.000 3.124 380 R HA 0.101 4.223 4.340 -0.363 0.000 0.212 380 R C -2.188 174.087 176.300 -0.042 0.000 1.677 380 R CA -0.651 55.430 56.100 -0.032 0.000 1.186 380 R CB 0.846 31.124 30.300 -0.036 0.000 1.571 380 R HN -0.217 nan 8.270 nan 0.000 0.583 381 P HA -0.218 nan 4.420 nan 0.000 0.218 381 P C 0.755 178.032 177.300 -0.038 0.000 1.148 381 P CA 1.218 64.298 63.100 -0.033 0.000 0.822 381 P CB 0.294 31.982 31.700 -0.020 0.000 0.784 382 E N 0.998 121.177 120.200 -0.035 0.000 2.347 382 E HA -0.067 4.065 4.350 -0.363 0.000 0.196 382 E C 1.458 178.030 176.600 -0.047 0.000 1.008 382 E CA 1.287 57.667 56.400 -0.034 0.000 0.852 382 E CB -0.732 28.953 29.700 -0.026 0.000 0.783 382 E HN 0.297 nan 8.360 nan 0.000 0.505 383 V N -2.867 117.007 119.914 -0.066 0.000 3.346 383 V HA 0.632 4.535 4.120 -0.363 0.000 0.309 383 V C 0.601 176.602 176.094 -0.155 0.000 1.457 383 V CA -0.186 62.056 62.300 -0.097 0.000 1.069 383 V CB 0.247 32.016 31.823 -0.090 0.000 0.944 383 V HN 0.294 nan 8.190 nan 0.000 0.449 384 A N 0.427 123.169 122.820 -0.130 0.000 2.325 384 A HA 0.862 4.964 4.320 -0.363 0.000 0.333 384 A C -0.505 177.001 177.584 -0.131 0.000 1.155 384 A CA -0.472 51.472 52.037 -0.156 0.000 0.814 384 A CB 1.519 20.458 19.000 -0.102 0.000 1.206 384 A HN 0.500 nan 8.150 nan 0.000 0.482 385 E N 0.207 120.317 120.200 -0.150 0.000 2.238 385 E HA 0.452 4.584 4.350 -0.363 0.000 0.267 385 E C -0.858 175.765 176.600 0.038 0.000 0.887 385 E CA -0.397 55.984 56.400 -0.031 0.000 0.769 385 E CB 1.644 31.359 29.700 0.025 0.000 1.187 385 E HN 0.648 nan 8.360 nan 0.000 0.416 386 Q N 2.169 122.006 119.800 0.061 0.000 2.337 386 Q HA 0.562 4.684 4.340 -0.363 0.000 0.266 386 Q C -1.256 174.812 176.000 0.114 0.000 1.023 386 Q CA -0.502 55.352 55.803 0.085 0.000 0.829 386 Q CB 1.971 30.737 28.738 0.048 0.000 1.306 386 Q HN 0.580 nan 8.270 nan 0.000 0.449 387 T N 0.739 115.387 114.554 0.158 0.000 2.865 387 T HA 0.182 4.314 4.350 -0.363 0.000 0.294 387 T C 0.316 175.116 174.700 0.166 0.000 1.119 387 T CA -0.331 61.859 62.100 0.149 0.000 1.007 387 T CB 1.755 70.720 68.868 0.161 0.000 1.225 387 T HN 0.798 nan 8.240 nan 0.000 0.515 388 E N 0.513 120.787 120.200 0.124 0.000 2.051 388 E HA 0.067 4.199 4.350 -0.363 0.000 0.189 388 E C 0.631 177.335 176.600 0.174 0.000 0.979 388 E CA 1.195 57.670 56.400 0.124 0.000 0.803 388 E CB 0.059 29.799 29.700 0.068 0.000 0.761 388 E HN 0.739 nan 8.360 nan 0.000 0.451 389 T N -2.756 111.860 114.554 0.104 0.000 2.942 389 T HA 0.263 4.395 4.350 -0.363 0.000 0.289 389 T C 0.969 175.539 174.700 -0.216 0.000 1.044 389 T CA -0.748 61.356 62.100 0.007 0.000 1.023 389 T CB 1.358 70.192 68.868 -0.057 0.000 1.123 389 T HN 0.128 nan 8.240 nan 0.000 0.512 390 M N 0.251 119.483 119.600 -0.613 0.000 2.132 390 M HA -0.042 4.220 4.480 -0.363 0.000 0.263 390 M C 2.303 178.421 176.300 -0.303 0.000 1.065 390 M CA 2.015 56.748 55.300 -0.945 0.000 1.122 390 M CB -0.397 31.693 32.600 -0.850 0.000 1.365 390 M HN 0.987 nan 8.290 nan 0.000 0.411 391 E N 0.202 120.313 120.200 -0.150 0.000 2.058 391 E HA -0.294 3.838 4.350 -0.363 0.000 0.194 391 E C 1.809 178.371 176.600 -0.064 0.000 0.997 391 E CA 2.125 58.479 56.400 -0.077 0.000 0.801 391 E CB -0.196 29.472 29.700 -0.054 0.000 0.746 391 E HN 0.648 nan 8.360 nan 0.000 0.450 392 Q N -0.059 119.710 119.800 -0.051 0.000 2.135 392 Q HA -0.170 3.952 4.340 -0.363 0.000 0.204 392 Q C 2.248 178.251 176.000 0.004 0.000 0.981 392 Q CA 1.562 57.357 55.803 -0.013 0.000 0.856 392 Q CB -0.221 28.525 28.738 0.014 0.000 0.902 392 Q HN 0.447 nan 8.270 nan 0.000 0.425 393 A N 0.620 123.440 122.820 0.000 0.000 1.898 393 A HA -0.157 3.945 4.320 -0.363 0.000 0.216 393 A C 2.050 179.599 177.584 -0.059 0.000 1.181 393 A CA 1.264 53.332 52.037 0.053 0.000 0.620 393 A CB -0.433 18.653 19.000 0.143 0.000 0.819 393 A HN 0.281 nan 8.150 nan 0.000 0.442 394 M N -0.982 118.581 119.600 -0.061 0.000 2.117 394 M HA -0.140 4.122 4.480 -0.363 0.000 0.262 394 M C 2.285 178.543 176.300 -0.071 0.000 1.065 394 M CA 1.418 56.685 55.300 -0.055 0.000 1.114 394 M CB -0.299 32.297 32.600 -0.008 0.000 1.361 394 M HN 0.331 nan 8.290 nan 0.000 0.408 395 R N -0.161 120.304 120.500 -0.057 0.000 2.189 395 R HA -0.088 4.034 4.340 -0.363 0.000 0.223 395 R C 2.039 178.314 176.300 -0.040 0.000 1.092 395 R CA 0.766 56.838 56.100 -0.047 0.000 0.989 395 R CB -0.322 29.956 30.300 -0.037 0.000 0.876 395 R HN 0.252 nan 8.270 nan 0.000 0.457 396 L N 1.219 122.420 121.223 -0.038 0.000 2.068 396 L HA -0.083 4.039 4.340 -0.363 0.000 0.204 396 L C 1.981 178.813 176.870 -0.064 0.000 1.076 396 L CA 1.491 56.332 54.840 0.001 0.000 0.753 396 L CB -0.477 41.635 42.059 0.087 0.000 0.910 396 L HN 0.108 nan 8.230 nan 0.000 0.439 397 L N -1.545 119.498 121.223 -0.299 0.000 2.109 397 L HA 0.173 4.295 4.340 -0.363 0.000 0.207 397 L C 2.495 179.179 176.870 -0.311 0.000 1.086 397 L CA 1.795 56.323 54.840 -0.520 0.000 0.760 397 L CB -1.945 39.359 42.059 -1.257 0.000 0.910 397 L HN 0.093 nan 8.230 nan 0.000 0.437 398 A N 1.171 123.888 122.820 -0.172 0.000 1.881 398 A HA -0.174 3.928 4.320 -0.363 0.000 0.219 398 A C 0.665 178.213 177.584 -0.060 0.000 1.215 398 A CA 2.571 54.581 52.037 -0.045 0.000 0.648 398 A CB -2.274 16.737 19.000 0.019 0.000 0.832 398 A HN 0.502 nan 8.150 nan 0.000 0.455 399 P HA -0.150 nan 4.420 nan 0.000 0.218 399 P C 1.069 178.356 177.300 -0.022 0.000 1.146 399 P CA 1.373 64.461 63.100 -0.020 0.000 0.813 399 P CB -0.113 31.586 31.700 -0.002 0.000 0.778 400 R N -0.828 119.643 120.500 -0.048 0.000 2.276 400 R HA 0.098 4.220 4.340 -0.363 0.000 0.196 400 R C 0.623 176.893 176.300 -0.050 0.000 0.961 400 R CA 0.052 56.148 56.100 -0.007 0.000 1.024 400 R CB -0.512 29.840 30.300 0.086 0.000 0.940 400 R HN 0.162 nan 8.270 nan 0.000 0.480 401 V N 0.241 120.035 119.914 -0.200 0.000 2.715 401 V HA 0.138 4.040 4.120 -0.363 0.000 0.299 401 V C -0.193 175.877 176.094 -0.040 0.000 1.054 401 V CA -0.475 61.684 62.300 -0.236 0.000 1.077 401 V CB 1.123 32.703 31.823 -0.405 0.000 0.972 401 V HN 0.034 nan 8.190 nan 0.000 0.484 402 Q N 3.298 123.114 119.800 0.025 0.000 2.458 402 Q HA 0.545 4.667 4.340 -0.363 0.000 0.282 402 Q C -2.836 173.172 176.000 0.013 0.000 1.106 402 Q CA -2.260 53.559 55.803 0.026 0.000 0.814 402 Q CB 1.595 30.358 28.738 0.041 0.000 1.425 402 Q HN 0.542 nan 8.270 nan 0.000 0.437 403 P HA 0.057 nan 4.420 nan 0.000 0.263 403 P C 0.588 177.890 177.300 0.004 0.000 1.195 403 P CA 1.296 64.400 63.100 0.007 0.000 0.762 403 P CB 0.161 31.867 31.700 0.011 0.000 0.799 404 G N 2.149 110.947 108.800 -0.003 0.000 2.213 404 G HA2 -0.178 3.564 3.960 -0.363 0.000 0.226 404 G HA3 -0.178 3.564 3.960 -0.363 0.000 0.226 404 G C 0.020 174.901 174.900 -0.032 0.000 0.992 404 G CA -0.356 44.737 45.100 -0.012 0.000 0.632 404 G HN 0.480 nan 8.290 nan 0.000 0.511 405 D N 0.350 120.735 120.400 -0.025 0.000 2.357 405 D HA 0.556 4.979 4.640 -0.363 0.000 0.242 405 D C 0.630 176.886 176.300 -0.074 0.000 1.153 405 D CA 0.247 54.233 54.000 -0.022 0.000 0.918 405 D CB 0.937 41.785 40.800 0.080 0.000 1.181 405 D HN 0.409 nan 8.370 nan 0.000 0.435 406 M N 1.077 120.638 119.600 -0.067 0.000 2.321 406 M HA 0.412 4.674 4.480 -0.363 0.000 0.315 406 M C -1.833 174.406 176.300 -0.103 0.000 1.052 406 M CA -0.804 54.428 55.300 -0.115 0.000 0.936 406 M CB 1.644 34.200 32.600 -0.073 0.000 1.639 406 M HN -0.012 nan 8.290 nan 0.000 0.433 407 V N 5.775 125.527 119.914 -0.270 0.000 2.347 407 V HA 0.468 4.371 4.120 -0.363 0.000 0.280 407 V C -0.948 175.132 176.094 -0.024 0.000 1.021 407 V CA -0.697 61.486 62.300 -0.195 0.000 0.847 407 V CB 1.258 32.731 31.823 -0.583 0.000 0.990 407 V HN 0.733 nan 8.190 nan 0.000 0.444 408 L N 6.294 127.509 121.223 -0.014 0.000 2.349 408 L HA 0.542 4.664 4.340 -0.363 0.000 0.278 408 L C -0.683 176.086 176.870 -0.167 0.000 0.996 408 L CA -0.181 54.589 54.840 -0.118 0.000 0.825 408 L CB 1.551 43.550 42.059 -0.100 0.000 1.243 408 L HN 0.600 nan 8.230 nan 0.000 0.412 409 L N 4.667 125.613 121.223 -0.462 0.000 2.282 409 L HA 0.442 4.564 4.340 -0.363 0.000 0.287 409 L C -0.372 176.326 176.870 -0.286 0.000 1.075 409 L CA 0.205 54.761 54.840 -0.474 0.000 0.839 409 L CB 0.835 42.219 42.059 -1.125 0.000 1.219 409 L HN 0.834 nan 8.230 nan 0.000 0.434 410 S N 6.527 122.143 115.700 -0.139 0.000 2.440 410 S HA 0.377 4.629 4.470 -0.363 0.000 0.142 410 S C -1.741 172.810 174.600 -0.082 0.000 1.578 410 S CA -0.792 57.349 58.200 -0.098 0.000 1.260 410 S CB 0.788 63.949 63.200 -0.065 0.000 1.407 410 S HN 0.538 nan 8.310 nan 0.000 0.392 411 P HA 0.100 nan 4.420 nan 0.000 0.226 411 P C 0.819 178.032 177.300 -0.144 0.000 1.153 411 P CA 1.241 64.273 63.100 -0.112 0.000 0.777 411 P CB -0.073 31.591 31.700 -0.060 0.000 0.794 412 A N -2.723 120.048 122.820 -0.082 0.000 2.979 412 A HA -0.194 3.908 4.320 -0.363 0.000 0.260 412 A C 0.435 178.052 177.584 0.055 0.000 1.282 412 A CA 1.066 53.092 52.037 -0.019 0.000 0.971 412 A CB -2.542 16.447 19.000 -0.020 0.000 1.124 412 A HN 0.406 nan 8.150 nan 0.000 0.826 413 C N -1.498 117.803 119.300 0.002 0.000 3.173 413 C HA 0.784 5.026 4.460 -0.363 0.000 0.310 413 C C 0.935 175.946 174.990 0.035 0.000 1.306 413 C CA -0.642 58.400 59.018 0.041 0.000 1.426 413 C CB 1.453 29.201 27.740 0.013 0.000 1.800 413 C HN 1.798 nan 8.230 nan 0.000 0.470 414 A N 1.201 124.059 122.820 0.064 0.000 2.466 414 A HA 0.420 4.522 4.320 -0.363 0.000 0.238 414 A C 1.149 178.819 177.584 0.143 0.000 1.074 414 A CA 0.691 52.792 52.037 0.107 0.000 0.774 414 A CB 0.136 19.210 19.000 0.123 0.000 1.015 414 A HN 1.574 nan 8.150 nan 0.000 0.498 415 S N 1.062 116.875 115.700 0.188 0.000 2.556 415 S HA 0.085 4.337 4.470 -0.363 0.000 0.216 415 S C 1.196 175.998 174.600 0.336 0.000 0.970 415 S CA 0.183 58.557 58.200 0.290 0.000 0.912 415 S CB -0.383 62.929 63.200 0.187 0.000 0.790 415 S HN 0.585 nan 8.310 nan 0.000 0.504 416 L N 2.355 123.711 121.223 0.221 0.000 2.362 416 L HA -0.059 4.063 4.340 -0.363 0.000 0.219 416 L C 2.331 179.286 176.870 0.142 0.000 1.134 416 L CA 1.314 56.259 54.840 0.175 0.000 0.807 416 L CB -0.700 41.441 42.059 0.137 0.000 0.927 416 L HN 0.492 nan 8.230 nan 0.000 0.447 417 D N -0.179 120.310 120.400 0.149 0.000 2.264 417 D HA -0.232 4.190 4.640 -0.363 0.000 0.208 417 D C 1.454 177.796 176.300 0.069 0.000 0.966 417 D CA 1.148 55.210 54.000 0.103 0.000 0.864 417 D CB 0.076 40.938 40.800 0.104 0.000 0.933 417 D HN 0.462 nan 8.370 nan 0.000 0.499 418 Q N -1.812 118.037 119.800 0.082 0.000 2.043 418 Q HA 0.247 4.369 4.340 -0.363 0.000 0.219 418 Q C -0.661 175.093 176.000 -0.411 0.000 0.762 418 Q CA -0.190 55.515 55.803 -0.163 0.000 0.943 418 Q CB 1.289 29.883 28.738 -0.240 0.000 1.194 418 Q HN 0.097 nan 8.270 nan 0.000 0.447 419 F N -0.582 119.406 119.950 0.062 0.000 2.629 419 F HA 0.361 4.670 4.527 -0.364 0.000 0.316 419 F C 0.977 176.793 175.800 0.026 0.000 1.081 419 F CA -0.977 57.048 58.000 0.041 0.000 0.954 419 F CB 1.399 40.431 39.000 0.054 0.000 1.337 419 F HN -0.349 nan 8.300 nan 0.000 0.474 420 K N 0.105 120.628 120.400 0.205 0.000 2.097 420 K HA -0.063 4.039 4.320 -0.363 0.000 0.205 420 K C -0.488 176.155 176.600 0.072 0.000 1.050 420 K CA 1.481 57.825 56.287 0.096 0.000 0.938 420 K CB -0.029 32.501 32.500 0.050 0.000 0.718 420 K HN 0.828 nan 8.250 nan 0.000 0.442 421 N N -2.709 116.022 118.700 0.051 0.000 3.227 421 N HA -0.018 4.505 4.740 -0.363 0.000 0.241 421 N C 0.314 175.747 175.510 -0.128 0.000 1.480 421 N CA -0.602 52.417 53.050 -0.050 0.000 0.886 421 N CB -0.197 38.163 38.487 -0.212 0.000 1.406 421 N HN -0.092 nan 8.380 nan 0.000 0.514 422 F N -0.976 118.923 119.950 -0.086 0.000 2.293 422 F HA 0.244 4.553 4.527 -0.364 0.000 0.300 422 F C 1.401 176.991 175.800 -0.350 0.000 1.086 422 F CA 0.791 58.678 58.000 -0.190 0.000 1.375 422 F CB -0.381 38.539 39.000 -0.134 0.000 1.045 422 F HN 0.488 nan 8.300 nan 0.000 0.516 423 E N 0.802 120.301 120.200 -1.169 0.000 2.077 423 E HA -0.262 3.871 4.350 -0.363 0.000 0.193 423 E C 2.239 178.589 176.600 -0.418 0.000 0.989 423 E CA 1.649 57.424 56.400 -1.042 0.000 0.800 423 E CB -0.435 28.780 29.700 -0.809 0.000 0.746 423 E HN 0.694 nan 8.360 nan 0.000 0.452 424 Q N 0.687 120.341 119.800 -0.243 0.000 2.119 424 Q HA -0.196 3.926 4.340 -0.363 0.000 0.201 424 Q C 2.287 178.260 176.000 -0.044 0.000 0.972 424 Q CA 1.285 57.064 55.803 -0.039 0.000 0.847 424 Q CB 0.017 28.805 28.738 0.084 0.000 0.903 424 Q HN 0.124 nan 8.270 nan 0.000 0.433 425 R N -0.471 119.825 120.500 -0.339 0.000 2.083 425 R HA -0.147 3.975 4.340 -0.363 0.000 0.237 425 R C 2.201 178.365 176.300 -0.226 0.000 1.137 425 R CA 1.786 57.410 56.100 -0.792 0.000 0.951 425 R CB -0.675 28.976 30.300 -1.081 0.000 0.851 425 R HN 0.397 nan 8.270 nan 0.000 0.434 426 G N 0.594 109.353 108.800 -0.068 0.000 2.421 426 G HA2 -0.269 3.473 3.960 -0.363 0.000 0.216 426 G HA3 -0.269 3.473 3.960 -0.363 0.000 0.216 426 G C 1.152 176.217 174.900 0.276 0.000 1.171 426 G CA 0.766 46.002 45.100 0.228 0.000 0.775 426 G HN 0.339 nan 8.290 nan 0.000 0.543 427 N N 0.586 119.409 118.700 0.204 0.000 2.149 427 N HA -0.101 4.421 4.740 -0.363 0.000 0.188 427 N C 2.057 177.625 175.510 0.097 0.000 1.019 427 N CA 1.367 54.507 53.050 0.150 0.000 0.857 427 N CB -0.299 38.253 38.487 0.108 0.000 0.997 427 N HN 0.673 nan 8.380 nan 0.000 0.426 428 E N -0.072 120.193 120.200 0.108 0.000 2.107 428 E HA -0.136 3.997 4.350 -0.363 0.000 0.191 428 E C 1.871 178.515 176.600 0.073 0.000 0.982 428 E CA 0.402 56.862 56.400 0.100 0.000 0.809 428 E CB -0.218 29.603 29.700 0.203 0.000 0.756 428 E HN 0.298 nan 8.360 nan 0.000 0.459 429 F N 1.271 121.217 119.950 -0.006 0.000 2.095 429 F HA -0.183 4.126 4.527 -0.363 0.000 0.298 429 F C 2.111 177.897 175.800 -0.023 0.000 1.104 429 F CA 1.917 59.913 58.000 -0.007 0.000 1.232 429 F CB -0.378 38.630 39.000 0.013 0.000 0.987 429 F HN 0.127 nan 8.300 nan 0.000 0.475 430 A N 0.585 123.378 122.820 -0.045 0.000 1.930 430 A HA -0.173 3.929 4.320 -0.363 0.000 0.217 430 A C 2.332 179.752 177.584 -0.272 0.000 1.175 430 A CA 1.519 53.453 52.037 -0.173 0.000 0.627 430 A CB -0.891 18.110 19.000 0.003 0.000 0.815 430 A HN 0.507 nan 8.150 nan 0.000 0.443 431 R N -0.212 120.181 120.500 -0.178 0.000 2.083 431 R HA -0.131 3.991 4.340 -0.363 0.000 0.237 431 R C 1.917 178.061 176.300 -0.260 0.000 1.137 431 R CA 1.906 57.900 56.100 -0.176 0.000 0.951 431 R CB -0.430 29.811 30.300 -0.098 0.000 0.851 431 R HN 0.517 nan 8.270 nan 0.000 0.434 432 L N 0.090 121.136 121.223 -0.295 0.000 2.044 432 L HA -0.049 4.073 4.340 -0.363 0.000 0.205 432 L C 2.806 179.351 176.870 -0.541 0.000 1.075 432 L CA 1.098 55.739 54.840 -0.331 0.000 0.747 432 L CB -0.632 41.282 42.059 -0.241 0.000 0.903 432 L HN 0.320 nan 8.230 nan 0.000 0.435 433 A N 0.600 122.947 122.820 -0.787 0.000 1.892 433 A HA -0.276 3.826 4.320 -0.363 0.000 0.218 433 A C 2.328 179.245 177.584 -1.113 0.000 1.188 433 A CA 2.134 53.414 52.037 -1.262 0.000 0.631 433 A CB -0.469 17.837 19.000 -1.157 0.000 0.822 433 A HN 0.351 nan 8.150 nan 0.000 0.447 434 K N -0.815 119.178 120.400 -0.679 0.000 2.148 434 K HA -0.140 3.962 4.320 -0.363 0.000 0.204 434 K C 2.152 178.509 176.600 -0.406 0.000 1.050 434 K CA 1.326 57.320 56.287 -0.489 0.000 0.942 434 K CB -0.098 32.206 32.500 -0.327 0.000 0.724 434 K HN 0.713 nan 8.250 nan 0.000 0.446 435 E N 0.966 120.943 120.200 -0.372 0.000 2.072 435 E HA -0.137 3.995 4.350 -0.363 0.000 0.190 435 E C 1.627 178.051 176.600 -0.292 0.000 0.982 435 E CA 0.869 57.101 56.400 -0.279 0.000 0.803 435 E CB 0.165 29.732 29.700 -0.223 0.000 0.755 435 E HN 0.229 nan 8.360 nan 0.000 0.453 436 L N -0.667 120.316 121.223 -0.400 0.000 2.567 436 L HA 0.193 4.315 4.340 -0.363 0.000 0.225 436 L C 1.989 178.659 176.870 -0.333 0.000 1.119 436 L CA 0.429 55.078 54.840 -0.320 0.000 0.871 436 L CB 0.492 42.396 42.059 -0.258 0.000 1.036 436 L HN 0.128 nan 8.230 nan 0.000 0.459 437 G N -1.252 107.223 108.800 -0.542 0.000 3.126 437 G HA2 0.156 3.898 3.960 -0.363 0.000 0.224 437 G HA3 0.156 3.898 3.960 -0.363 0.000 0.224 437 G C 0.221 175.067 174.900 -0.090 0.000 1.142 437 G CA 0.053 44.924 45.100 -0.381 0.000 0.759 437 G HN 0.210 nan 8.290 nan 0.000 0.550 438 S N -0.331 115.276 115.700 -0.154 0.000 2.541 438 S HA 0.425 4.677 4.470 -0.363 0.000 0.280 438 S C -1.226 173.318 174.600 -0.094 0.000 1.112 438 S CA -0.747 57.426 58.200 -0.046 0.000 0.925 438 S CB 1.408 64.510 63.200 -0.165 0.000 1.067 438 S HN 0.371 nan 8.310 nan 0.000 0.479 439 H N 1.378 120.487 119.070 0.065 0.000 2.815 439 H HA 0.573 4.911 4.556 -0.363 0.000 0.350 439 H C 1.080 176.405 175.328 -0.005 0.000 1.080 439 H CA 1.684 57.748 56.048 0.026 0.000 1.433 439 H CB 0.208 29.993 29.762 0.038 0.000 1.432 439 H HN 0.910 nan 8.280 nan 0.000 0.592 440 H N 0.000 119.126 119.070 0.094 0.000 2.539 440 H HA 0.000 4.338 4.556 -0.363 0.000 0.296 440 H CA 0.000 nan 56.048 nan 0.000 1.023 440 H CB 0.000 nan 29.762 nan 0.000 1.292 440 H HN 0.000 nan 8.280 nan 0.000 0.496