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 2odo_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRPARALIDL QALRHNYQLA REVTGAKALA VIXADAYGHG AVRCAQALEA DATA SEQUENCE EADGFAVACI EEALELRAAG IRAPILLLEG FFEADELPLI VEHDFWCVVH DATA SEQUENCE SLWQLDAIEQ ARLAKPIHVW LXLDSGMHRV GLHPNDYKAA YQRLQASANV DATA SEQUENCE AKIVLMSHFA RADELDCTRS VEQVAVFLGA RADLTAEISL RNSPAVLGWP DATA SEQUENCE RVPSDWVRPG LMLYGSSPFD EPQATASRLQ PVMTLESKVI CVRELPAGEP DATA SEQUENCE VGYGARFITP KPMRIGVVAM GYADGYPRQA PTGTPVFVDG VRSQLLGRVS DATA SEQUENCE MDMLCIDLTD VPQAGLGSTV ELWGKNILAS EVATAADTIP YQIFCNLKRV DATA SEQUENCE PRLYSG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 R N 3.086 123.567 120.500 -0.032 0.000 2.421 2 R HA 0.226 4.566 4.340 0.000 0.000 0.305 2 R C -1.285 174.988 176.300 -0.045 0.000 1.039 2 R CA -0.693 55.383 56.100 -0.040 0.000 1.003 2 R CB 0.480 30.754 30.300 -0.042 0.000 0.959 2 R HN 0.306 nan 8.270 nan 0.000 0.427 3 P HA -0.019 nan 4.420 nan 0.000 0.242 3 P C -0.402 176.858 177.300 -0.065 0.000 1.197 3 P CA 0.331 63.400 63.100 -0.052 0.000 0.765 3 P CB 0.290 31.959 31.700 -0.051 0.000 0.936 4 A N 1.866 124.642 122.820 -0.073 0.000 2.450 4 A HA 0.433 4.753 4.320 0.000 0.000 0.255 4 A C 0.628 178.159 177.584 -0.089 0.000 1.096 4 A CA -0.235 51.748 52.037 -0.091 0.000 0.778 4 A CB -0.025 18.918 19.000 -0.095 0.000 1.031 4 A HN 0.281 nan 8.150 nan 0.000 0.494 5 R N 0.970 121.406 120.500 -0.107 0.000 2.680 5 R HA 0.742 5.082 4.340 0.000 0.000 0.269 5 R C -1.122 175.096 176.300 -0.136 0.000 1.026 5 R CA -0.588 55.447 56.100 -0.107 0.000 0.889 5 R CB 1.718 31.965 30.300 -0.088 0.000 1.241 5 R HN 0.883 nan 8.270 nan 0.000 0.463 6 A N 3.351 126.084 122.820 -0.145 0.000 2.291 6 A HA 0.534 4.854 4.320 0.000 0.000 0.311 6 A C -0.509 176.971 177.584 -0.174 0.000 1.224 6 A CA -0.912 51.026 52.037 -0.164 0.000 0.821 6 A CB 0.811 19.711 19.000 -0.166 0.000 1.172 6 A HN 0.602 nan 8.150 nan 0.000 0.494 7 L N 3.843 124.988 121.223 -0.131 0.000 2.265 7 L HA 0.409 4.749 4.340 0.000 0.000 0.288 7 L C -0.607 176.208 176.870 -0.092 0.000 1.058 7 L CA -0.547 54.224 54.840 -0.114 0.000 0.809 7 L CB 0.928 42.951 42.059 -0.060 0.000 1.179 7 L HN 0.478 nan 8.230 nan 0.000 0.429 8 I N 2.758 123.244 120.570 -0.139 0.000 2.330 8 I HA 0.159 4.329 4.170 0.000 0.000 0.286 8 I C -0.051 176.104 176.117 0.062 0.000 1.025 8 I CA -0.227 61.053 61.300 -0.034 0.000 1.197 8 I CB 1.248 39.174 38.000 -0.125 0.000 1.358 8 I HN 0.537 nan 8.210 nan 0.000 0.467 9 D N 6.956 127.406 120.400 0.083 0.000 2.402 9 D HA 0.169 4.809 4.640 0.000 0.000 0.235 9 D C 1.140 177.500 176.300 0.100 0.000 1.226 9 D CA -0.088 53.959 54.000 0.079 0.000 0.918 9 D CB 0.869 41.704 40.800 0.058 0.000 1.043 9 D HN 0.433 nan 8.370 nan 0.000 0.506 10 L N 2.385 123.679 121.223 0.118 0.000 2.291 10 L HA -0.098 4.242 4.340 0.000 0.000 0.214 10 L C 2.406 179.323 176.870 0.078 0.000 1.120 10 L CA 0.563 55.469 54.840 0.111 0.000 0.799 10 L CB -0.125 42.005 42.059 0.117 0.000 0.925 10 L HN 0.412 nan 8.230 nan 0.000 0.446 11 Q N 0.241 120.082 119.800 0.070 0.000 2.172 11 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 11 Q C 2.250 178.296 176.000 0.076 0.000 0.964 11 Q CA 1.502 57.344 55.803 0.064 0.000 0.855 11 Q CB 0.136 28.902 28.738 0.047 0.000 0.918 11 Q HN 0.526 nan 8.270 nan 0.000 0.444 12 A N 0.548 123.404 122.820 0.061 0.000 1.968 12 A HA -0.121 4.199 4.320 0.000 0.000 0.217 12 A C 2.011 179.651 177.584 0.093 0.000 1.169 12 A CA 0.778 52.852 52.037 0.061 0.000 0.638 12 A CB -0.462 18.558 19.000 0.032 0.000 0.812 12 A HN 0.384 nan 8.150 nan 0.000 0.446 13 L N -0.177 121.085 121.223 0.066 0.000 2.017 13 L HA -0.111 4.229 4.340 0.000 0.000 0.208 13 L C 2.469 179.371 176.870 0.053 0.000 1.073 13 L CA 1.810 56.666 54.840 0.027 0.000 0.745 13 L CB -0.410 41.664 42.059 0.024 0.000 0.894 13 L HN 0.313 nan 8.230 nan 0.000 0.432 14 R N -1.477 119.071 120.500 0.079 0.000 2.081 14 R HA -0.208 4.132 4.340 0.000 0.000 0.235 14 R C 2.405 178.783 176.300 0.129 0.000 1.131 14 R CA 1.430 57.588 56.100 0.097 0.000 0.960 14 R CB -0.770 29.580 30.300 0.083 0.000 0.856 14 R HN 0.586 nan 8.270 nan 0.000 0.436 15 H N 1.033 120.126 119.070 0.039 0.000 2.353 15 H HA -0.068 4.488 4.556 0.000 0.000 0.300 15 H C 1.339 176.677 175.328 0.017 0.000 1.090 15 H CA 1.531 57.595 56.048 0.027 0.000 1.327 15 H CB 0.180 29.952 29.762 0.017 0.000 1.383 15 H HN 0.143 nan 8.280 nan 0.000 0.508 16 N N 0.217 118.966 118.700 0.081 0.000 2.244 16 N HA -0.159 4.581 4.740 0.000 0.000 0.183 16 N C 1.884 177.363 175.510 -0.052 0.000 1.016 16 N CA 0.908 53.956 53.050 -0.002 0.000 0.866 16 N CB -0.751 37.738 38.487 0.003 0.000 0.980 16 N HN 0.459 nan 8.380 nan 0.000 0.430 17 Y N 1.820 122.046 120.300 -0.123 0.000 2.220 17 Y HA -0.098 4.452 4.550 0.000 0.000 0.291 17 Y C 2.227 178.060 175.900 -0.112 0.000 1.129 17 Y CA 1.521 59.549 58.100 -0.119 0.000 1.161 17 Y CB -0.140 38.259 38.460 -0.101 0.000 0.997 17 Y HN 0.065 nan 8.280 nan 0.000 0.522 18 Q N -0.028 119.708 119.800 -0.106 0.000 2.167 18 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 18 Q C 2.296 178.149 176.000 -0.245 0.000 0.970 18 Q CA 1.568 57.263 55.803 -0.180 0.000 0.855 18 Q CB -0.206 28.476 28.738 -0.093 0.000 0.911 18 Q HN 0.567 nan 8.270 nan 0.000 0.438 19 L N 0.086 121.150 121.223 -0.265 0.000 2.083 19 L HA -0.165 4.175 4.340 0.000 0.000 0.209 19 L C 2.201 178.962 176.870 -0.182 0.000 1.083 19 L CA 1.152 55.856 54.840 -0.226 0.000 0.752 19 L CB -0.257 41.670 42.059 -0.221 0.000 0.899 19 L HN 0.191 nan 8.230 nan 0.000 0.433 20 A N -0.390 122.295 122.820 -0.225 0.000 1.969 20 A HA -0.195 4.125 4.320 0.000 0.000 0.218 20 A C 2.332 179.782 177.584 -0.224 0.000 1.169 20 A CA 1.438 53.350 52.037 -0.207 0.000 0.635 20 A CB -0.445 18.405 19.000 -0.250 0.000 0.810 20 A HN 0.430 nan 8.150 nan 0.000 0.445 21 R N -0.842 119.476 120.500 -0.305 0.000 2.073 21 R HA -0.078 4.262 4.340 0.000 0.000 0.229 21 R C 2.317 178.526 176.300 -0.153 0.000 1.120 21 R CA 1.288 57.242 56.100 -0.243 0.000 0.967 21 R CB -0.232 29.905 30.300 -0.273 0.000 0.862 21 R HN 0.764 nan 8.270 nan 0.000 0.436 22 E N 0.560 120.676 120.200 -0.141 0.000 2.047 22 E HA -0.142 4.208 4.350 0.000 0.000 0.191 22 E C 1.760 178.316 176.600 -0.075 0.000 0.987 22 E CA 1.278 57.619 56.400 -0.099 0.000 0.799 22 E CB 0.224 29.865 29.700 -0.099 0.000 0.752 22 E HN 0.082 nan 8.360 nan 0.000 0.449 23 V N 0.217 120.087 119.914 -0.072 0.000 2.809 23 V HA -0.119 4.001 4.120 0.000 0.000 0.256 23 V C 2.245 178.320 176.094 -0.031 0.000 1.080 23 V CA 1.875 64.148 62.300 -0.044 0.000 1.102 23 V CB -0.040 31.764 31.823 -0.032 0.000 0.705 23 V HN 0.324 nan 8.190 nan 0.000 0.475 24 T N -1.378 113.150 114.554 -0.043 0.000 3.000 24 T HA 0.272 4.622 4.350 0.000 0.000 0.248 24 T C 1.387 176.065 174.700 -0.036 0.000 1.034 24 T CA 1.055 63.140 62.100 -0.024 0.000 1.060 24 T CB 0.120 68.980 68.868 -0.014 0.000 0.983 24 T HN 0.723 nan 8.240 nan 0.000 0.482 25 G N 1.300 110.063 108.800 -0.060 0.000 2.176 25 G HA2 0.030 3.990 3.960 0.000 0.000 0.252 25 G HA3 0.030 3.990 3.960 0.000 0.000 0.252 25 G C 0.101 174.951 174.900 -0.082 0.000 1.024 25 G CA 0.290 45.352 45.100 -0.065 0.000 0.755 25 G HN 0.992 nan 8.290 nan 0.000 0.507 26 A N -1.170 121.588 122.820 -0.103 0.000 2.532 26 A HA 0.894 5.214 4.320 0.000 0.000 0.290 26 A C -0.007 177.457 177.584 -0.199 0.000 1.143 26 A CA -0.611 51.340 52.037 -0.143 0.000 0.728 26 A CB 1.006 19.948 19.000 -0.097 0.000 1.317 26 A HN 0.333 nan 8.150 nan 0.000 0.414 27 K N 0.210 120.407 120.400 -0.337 0.000 2.382 27 K HA 0.512 4.832 4.320 0.000 0.000 0.275 27 K C -0.141 176.374 176.600 -0.141 0.000 1.009 27 K CA 0.893 56.931 56.287 -0.413 0.000 0.970 27 K CB 0.916 32.762 32.500 -1.089 0.000 0.934 27 K HN 0.876 nan 8.250 nan 0.000 0.479 28 A N 3.504 126.329 122.820 0.009 0.000 2.330 28 A HA 0.485 4.805 4.320 0.000 0.000 0.313 28 A C -0.997 176.801 177.584 0.357 0.000 1.124 28 A CA -0.799 51.325 52.037 0.145 0.000 0.774 28 A CB 0.464 19.368 19.000 -0.159 0.000 1.198 28 A HN 0.626 nan 8.150 nan 0.000 0.465 29 L N 2.628 124.081 121.223 0.384 0.000 2.260 29 L HA 0.458 4.798 4.340 0.000 0.000 0.289 29 L C 0.883 177.858 176.870 0.173 0.000 1.057 29 L CA -0.382 54.601 54.840 0.239 0.000 0.811 29 L CB 1.449 43.613 42.059 0.176 0.000 1.184 29 L HN 0.826 nan 8.230 nan 0.000 0.429 30 A N 4.689 127.552 122.820 0.072 0.000 2.444 30 A HA 0.306 4.626 4.320 0.000 0.000 0.287 30 A C 0.162 177.844 177.584 0.164 0.000 1.195 30 A CA -0.378 51.719 52.037 0.100 0.000 0.858 30 A CB -0.200 18.762 19.000 -0.063 0.000 1.117 30 A HN 0.469 nan 8.150 nan 0.000 0.521 31 V N 5.890 125.882 119.914 0.131 0.000 2.390 31 V HA 0.188 4.308 4.120 0.000 0.000 0.260 31 V C 0.547 176.779 176.094 0.231 0.000 1.043 31 V CA 0.538 62.944 62.300 0.176 0.000 1.047 31 V CB -1.261 30.682 31.823 0.200 0.000 1.066 31 V HN 0.724 nan 8.190 nan 0.000 0.481 35 D N 0.304 120.746 120.400 0.071 0.000 2.697 35 D HA -0.058 4.582 4.640 0.000 0.000 0.238 35 D C 0.742 177.116 176.300 0.123 0.000 1.152 35 D CA 2.082 56.127 54.000 0.075 0.000 0.666 35 D CB -1.321 39.511 40.800 0.054 0.000 1.037 35 D HN 2.245 nan 8.370 nan 0.000 0.423 36 A N 1.018 123.946 122.820 0.181 0.000 2.687 36 A HA -0.210 4.110 4.320 0.000 0.000 0.299 36 A C 0.807 178.454 177.584 0.104 0.000 1.497 36 A CA 1.340 53.520 52.037 0.239 0.000 0.751 36 A CB -2.150 16.984 19.000 0.223 0.000 1.048 36 A HN 1.210 nan 8.150 nan 0.000 0.464 37 Y N -3.135 117.097 120.300 -0.113 0.000 3.589 37 Y HA -0.137 4.413 4.550 0.000 0.000 0.218 37 Y C 1.986 177.854 175.900 -0.053 0.000 1.234 37 Y CA 1.819 59.840 58.100 -0.132 0.000 1.576 37 Y CB -1.872 36.335 38.460 -0.421 0.000 1.487 37 Y HN 2.379 nan 8.280 nan 0.000 0.616 38 G N -1.746 107.113 108.800 0.099 0.000 2.179 38 G HA2 -0.412 3.548 3.960 0.000 0.000 0.260 38 G HA3 -0.412 3.548 3.960 0.000 0.000 0.260 38 G C 0.614 175.472 174.900 -0.069 0.000 0.977 38 G CA 0.628 45.740 45.100 0.020 0.000 0.641 38 G HN 0.634 nan 8.290 nan 0.000 0.533 39 H N 0.180 119.203 119.070 -0.078 0.000 2.551 39 H HA 0.443 4.999 4.556 0.000 0.000 0.266 39 H C 1.667 177.080 175.328 0.142 0.000 0.964 39 H CA 1.529 57.565 56.048 -0.021 0.000 1.180 39 H CB 0.503 30.220 29.762 -0.074 0.000 1.408 39 H HN 1.499 nan 8.280 nan 0.000 0.563 40 G N 0.183 109.111 108.800 0.212 0.000 3.055 40 G HA2 0.013 3.973 3.960 0.000 0.000 0.654 40 G HA3 0.013 3.973 3.960 0.000 0.000 0.654 40 G C 0.819 175.787 174.900 0.113 0.000 1.134 40 G CA -0.048 45.166 45.100 0.191 0.000 1.049 40 G HN 0.483 nan 8.290 nan 0.000 0.458 41 A N 1.862 124.715 122.820 0.055 0.000 1.902 41 A HA 0.175 4.495 4.320 0.000 0.000 0.217 41 A C 2.637 180.160 177.584 -0.101 0.000 1.181 41 A CA 2.771 54.806 52.037 -0.004 0.000 0.623 41 A CB -0.249 18.742 19.000 -0.014 0.000 0.818 41 A HN 1.501 nan 8.150 nan 0.000 0.443 42 V N 0.129 119.979 119.914 -0.106 0.000 2.261 42 V HA -0.231 3.889 4.120 0.000 0.000 0.246 42 V C 2.707 178.681 176.094 -0.200 0.000 1.047 42 V CA 2.067 64.272 62.300 -0.158 0.000 1.015 42 V CB -0.762 30.988 31.823 -0.123 0.000 0.642 42 V HN 0.468 nan 8.190 nan 0.000 0.446 43 R N -0.788 119.565 120.500 -0.245 0.000 2.115 43 R HA -0.109 4.231 4.340 0.000 0.000 0.230 43 R C 2.290 178.454 176.300 -0.226 0.000 1.111 43 R CA 1.580 57.452 56.100 -0.380 0.000 0.976 43 R CB -1.062 28.662 30.300 -0.961 0.000 0.870 43 R HN 0.499 nan 8.270 nan 0.000 0.445 44 C N -0.012 119.223 119.300 -0.109 0.000 2.446 44 C HA 0.010 4.470 4.460 0.000 0.000 0.277 44 C C 2.894 177.837 174.990 -0.078 0.000 1.275 44 C CA 0.717 59.722 59.018 -0.022 0.000 1.727 44 C CB -0.914 26.873 27.740 0.078 0.000 2.010 44 C HN 0.535 nan 8.230 nan 0.000 0.486 45 A N -0.046 122.638 122.820 -0.227 0.000 1.902 45 A HA -0.239 4.081 4.320 0.000 0.000 0.217 45 A C 2.053 179.501 177.584 -0.227 0.000 1.181 45 A CA 1.577 53.316 52.037 -0.497 0.000 0.623 45 A CB -0.625 17.835 19.000 -0.900 0.000 0.818 45 A HN 0.746 nan 8.150 nan 0.000 0.443 46 Q N -0.764 118.928 119.800 -0.179 0.000 2.124 46 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 46 Q C 2.260 178.230 176.000 -0.050 0.000 0.977 46 Q CA 1.345 57.085 55.803 -0.105 0.000 0.850 46 Q CB -0.337 28.328 28.738 -0.122 0.000 0.901 46 Q HN 0.687 nan 8.270 nan 0.000 0.429 47 A N -0.073 122.717 122.820 -0.049 0.000 2.119 47 A HA -0.017 4.303 4.320 0.000 0.000 0.216 47 A C 1.747 179.330 177.584 -0.001 0.000 1.152 47 A CA 0.775 52.801 52.037 -0.019 0.000 0.708 47 A CB -0.027 18.967 19.000 -0.012 0.000 0.805 47 A HN 0.271 nan 8.150 nan 0.000 0.460 48 L N -2.070 119.166 121.223 0.022 0.000 2.537 48 L HA 0.110 4.450 4.340 0.000 0.000 0.224 48 L C 2.225 179.113 176.870 0.030 0.000 1.065 48 L CA 0.422 55.252 54.840 -0.016 0.000 0.860 48 L CB -0.155 41.860 42.059 -0.073 0.000 1.086 48 L HN 0.429 nan 8.230 nan 0.000 0.482 49 E N 1.260 121.572 120.200 0.186 0.000 2.147 49 E HA -0.303 4.047 4.350 0.000 0.000 0.199 49 E C 2.113 178.748 176.600 0.059 0.000 1.005 49 E CA 1.474 57.992 56.400 0.197 0.000 0.810 49 E CB 0.105 29.910 29.700 0.174 0.000 0.736 49 E HN 0.487 nan 8.360 nan 0.000 0.460 50 A N 1.242 124.082 122.820 0.033 0.000 1.940 50 A HA -0.220 4.100 4.320 0.000 0.000 0.219 50 A C 1.726 179.320 177.584 0.017 0.000 1.176 50 A CA 1.971 54.021 52.037 0.022 0.000 0.631 50 A CB -0.317 18.694 19.000 0.018 0.000 0.814 50 A HN 0.547 nan 8.150 nan 0.000 0.446 51 E N -1.544 118.659 120.200 0.004 0.000 2.676 51 E HA 0.544 4.894 4.350 0.000 0.000 0.222 51 E C 0.272 176.897 176.600 0.041 0.000 0.968 51 E CA 0.167 56.585 56.400 0.030 0.000 1.090 51 E CB 0.171 29.904 29.700 0.056 0.000 1.066 51 E HN 0.404 nan 8.360 nan 0.000 0.496 52 A N 1.161 123.924 122.820 -0.094 0.000 2.304 52 A HA 0.240 4.560 4.320 0.000 0.000 0.301 52 A C 0.414 177.939 177.584 -0.097 0.000 1.132 52 A CA -0.519 51.386 52.037 -0.220 0.000 0.819 52 A CB 0.699 19.252 19.000 -0.746 0.000 1.094 52 A HN 0.079 nan 8.150 nan 0.000 0.492 53 D N 0.763 121.191 120.400 0.047 0.000 2.234 53 D HA 0.228 4.868 4.640 0.000 0.000 0.205 53 D C 0.934 177.299 176.300 0.109 0.000 0.962 53 D CA 1.879 55.959 54.000 0.133 0.000 0.855 53 D CB 0.419 41.341 40.800 0.204 0.000 0.951 53 D HN 0.839 nan 8.370 nan 0.000 0.500 54 G N -0.747 107.943 108.800 -0.184 0.000 2.317 54 G HA2 0.368 4.328 3.960 0.000 0.000 0.293 54 G HA3 0.368 4.328 3.960 0.000 0.000 0.293 54 G C -1.873 172.601 174.900 -0.709 0.000 1.287 54 G CA -0.960 43.922 45.100 -0.364 0.000 0.850 54 G HN 0.001 nan 8.290 nan 0.000 0.515 55 F N -0.138 119.758 119.950 -0.090 0.000 2.603 55 F HA 0.855 5.382 4.527 0.000 0.000 0.317 55 F C 0.444 176.179 175.800 -0.108 0.000 1.066 55 F CA -0.386 57.568 58.000 -0.076 0.000 0.941 55 F CB 2.693 41.640 39.000 -0.088 0.000 1.291 55 F HN 0.853 nan 8.300 nan 0.000 0.472 56 A N 1.392 124.292 122.820 0.132 0.000 2.374 56 A HA 0.873 5.193 4.320 0.000 0.000 0.305 56 A C -1.211 176.402 177.584 0.047 0.000 1.053 56 A CA -0.680 51.368 52.037 0.019 0.000 0.726 56 A CB 1.293 20.287 19.000 -0.010 0.000 1.229 56 A HN 1.005 nan 8.150 nan 0.000 0.431 57 V N -1.025 118.879 119.914 -0.017 0.000 3.155 57 V HA 0.910 5.030 4.120 0.000 0.000 0.313 57 V C 0.907 176.993 176.094 -0.013 0.000 1.162 57 V CA -0.047 62.249 62.300 -0.006 0.000 1.048 57 V CB 1.166 32.956 31.823 -0.056 0.000 1.092 57 V HN 1.464 nan 8.190 nan 0.000 0.447 58 A N 0.019 122.850 122.820 0.018 0.000 1.874 58 A HA 0.300 4.620 4.320 0.000 0.000 0.214 58 A C 1.170 178.816 177.584 0.104 0.000 1.189 58 A CA 1.541 53.608 52.037 0.051 0.000 0.615 58 A CB -0.731 18.308 19.000 0.064 0.000 0.830 58 A HN 1.777 nan 8.150 nan 0.000 0.443 59 C N -4.205 115.151 119.300 0.093 0.000 3.213 59 C HA 0.715 5.175 4.460 0.000 0.000 0.319 59 C C 1.446 176.444 174.990 0.014 0.000 1.386 59 C CA -0.432 58.701 59.018 0.192 0.000 1.494 59 C CB 0.687 28.585 27.740 0.264 0.000 1.905 59 C HN 0.507 nan 8.230 nan 0.000 0.456 60 I N 1.682 122.283 120.570 0.050 0.000 2.394 60 I HA -0.139 4.031 4.170 0.000 0.000 0.251 60 I C 2.643 178.703 176.117 -0.095 0.000 1.136 60 I CA 1.782 63.027 61.300 -0.091 0.000 1.425 60 I CB -0.090 37.939 38.000 0.048 0.000 1.079 60 I HN 0.865 nan 8.210 nan 0.000 0.425 61 E N 0.416 120.604 120.200 -0.020 0.000 2.204 61 E HA -0.260 4.090 4.350 0.000 0.000 0.194 61 E C 1.575 178.142 176.600 -0.055 0.000 0.989 61 E CA 1.112 57.496 56.400 -0.028 0.000 0.824 61 E CB -0.476 29.218 29.700 -0.011 0.000 0.756 61 E HN 0.645 nan 8.360 nan 0.000 0.477 62 E N 0.873 121.032 120.200 -0.068 0.000 2.158 62 E HA 0.000 4.350 4.350 0.000 0.000 0.191 62 E C 2.030 178.553 176.600 -0.128 0.000 0.982 62 E CA 0.830 57.185 56.400 -0.076 0.000 0.823 62 E CB 0.023 29.692 29.700 -0.052 0.000 0.766 62 E HN 0.357 nan 8.360 nan 0.000 0.468 63 A N 0.901 123.586 122.820 -0.226 0.000 1.930 63 A HA -0.044 4.276 4.320 0.000 0.000 0.215 63 A C 2.103 179.600 177.584 -0.144 0.000 1.176 63 A CA 0.561 52.390 52.037 -0.347 0.000 0.632 63 A CB -0.384 18.049 19.000 -0.944 0.000 0.819 63 A HN 0.104 nan 8.150 nan 0.000 0.445 64 L N -0.513 120.647 121.223 -0.105 0.000 2.141 64 L HA -0.174 4.166 4.340 0.000 0.000 0.209 64 L C 2.564 179.397 176.870 -0.061 0.000 1.094 64 L CA 1.568 56.382 54.840 -0.044 0.000 0.763 64 L CB -0.335 41.689 42.059 -0.057 0.000 0.908 64 L HN 0.569 nan 8.230 nan 0.000 0.437 65 E N 0.593 120.756 120.200 -0.062 0.000 2.110 65 E HA -0.224 4.126 4.350 0.000 0.000 0.193 65 E C 2.291 178.851 176.600 -0.067 0.000 0.988 65 E CA 1.098 57.464 56.400 -0.058 0.000 0.804 65 E CB 0.019 29.685 29.700 -0.057 0.000 0.745 65 E HN 0.498 nan 8.360 nan 0.000 0.458 66 L N 0.233 121.409 121.223 -0.079 0.000 2.109 66 L HA -0.119 4.221 4.340 0.000 0.000 0.207 66 L C 2.734 179.569 176.870 -0.060 0.000 1.086 66 L CA 0.595 55.374 54.840 -0.102 0.000 0.760 66 L CB -0.342 41.630 42.059 -0.145 0.000 0.910 66 L HN 0.019 nan 8.230 nan 0.000 0.437 67 R N 0.472 120.963 120.500 -0.015 0.000 2.081 67 R HA -0.057 4.283 4.340 0.000 0.000 0.235 67 R C 2.261 178.553 176.300 -0.013 0.000 1.131 67 R CA 1.449 57.547 56.100 -0.004 0.000 0.960 67 R CB -0.937 29.345 30.300 -0.031 0.000 0.856 67 R HN 0.327 nan 8.270 nan 0.000 0.436 68 A N 0.661 123.463 122.820 -0.029 0.000 2.121 68 A HA 0.064 4.384 4.320 0.000 0.000 0.218 68 A C 1.886 179.454 177.584 -0.027 0.000 1.154 68 A CA 1.388 53.414 52.037 -0.018 0.000 0.679 68 A CB -0.181 18.806 19.000 -0.021 0.000 0.795 68 A HN 0.291 nan 8.150 nan 0.000 0.458 69 A N -1.857 120.936 122.820 -0.044 0.000 2.345 69 A HA 0.456 4.776 4.320 0.000 0.000 0.225 69 A C 1.598 179.149 177.584 -0.056 0.000 1.243 69 A CA 0.969 52.972 52.037 -0.057 0.000 0.875 69 A CB -0.776 18.174 19.000 -0.083 0.000 0.929 69 A HN 1.740 nan 8.150 nan 0.000 0.502 70 G N -0.577 108.200 108.800 -0.039 0.000 2.157 70 G HA2 -0.185 3.775 3.960 0.000 0.000 0.248 70 G HA3 -0.185 3.775 3.960 0.000 0.000 0.248 70 G C 0.011 174.891 174.900 -0.033 0.000 0.979 70 G CA 0.109 45.191 45.100 -0.030 0.000 0.650 70 G HN 0.342 nan 8.290 nan 0.000 0.529 71 I N 1.775 122.314 120.570 -0.050 0.000 2.436 71 I HA 0.267 4.437 4.170 0.000 0.000 0.289 71 I C 1.440 177.552 176.117 -0.009 0.000 1.083 71 I CA 0.043 61.314 61.300 -0.048 0.000 1.372 71 I CB 0.823 38.742 38.000 -0.136 0.000 1.408 71 I HN 0.414 nan 8.210 nan 0.000 0.516 72 R N 4.601 125.107 120.500 0.010 0.000 2.629 72 R HA 0.454 4.794 4.340 0.000 0.000 0.386 72 R C 0.021 176.323 176.300 0.003 0.000 1.071 72 R CA -0.379 55.722 56.100 0.001 0.000 1.104 72 R CB -0.088 30.207 30.300 -0.008 0.000 1.370 72 R HN 0.454 nan 8.270 nan 0.000 0.574 73 A N 2.723 125.577 122.820 0.055 0.000 2.366 73 A HA 0.491 4.811 4.320 0.000 0.000 0.249 73 A C -2.206 175.338 177.584 -0.067 0.000 1.084 73 A CA -1.299 50.764 52.037 0.043 0.000 0.794 73 A CB -0.032 19.078 19.000 0.183 0.000 1.034 73 A HN 0.134 nan 8.150 nan 0.000 0.491 74 P HA 0.270 nan 4.420 nan 0.000 0.267 74 P C -0.967 176.022 177.300 -0.517 0.000 1.205 74 P CA 0.593 63.264 63.100 -0.714 0.000 0.765 74 P CB 0.260 31.112 31.700 -1.413 0.000 0.828 75 I N 3.449 123.772 120.570 -0.411 0.000 2.418 75 I HA 0.282 4.452 4.170 0.000 0.000 0.287 75 I C -0.197 175.802 176.117 -0.196 0.000 1.008 75 I CA -1.046 60.159 61.300 -0.158 0.000 1.104 75 I CB 1.602 39.623 38.000 0.034 0.000 1.264 75 I HN 0.157 nan 8.210 nan 0.000 0.438 76 L N 7.659 128.754 121.223 -0.213 0.000 2.312 76 L HA 0.461 4.801 4.340 0.000 0.000 0.281 76 L C -0.713 176.047 176.870 -0.184 0.000 1.070 76 L CA -0.025 54.683 54.840 -0.219 0.000 0.805 76 L CB 0.955 42.735 42.059 -0.465 0.000 1.174 76 L HN 0.453 nan 8.230 nan 0.000 0.434 77 L N 6.977 128.114 121.223 -0.144 0.000 2.282 77 L HA 0.205 4.545 4.340 0.000 0.000 0.287 77 L C 1.115 177.914 176.870 -0.119 0.000 1.075 77 L CA -0.292 54.468 54.840 -0.134 0.000 0.839 77 L CB 0.689 42.685 42.059 -0.105 0.000 1.219 77 L HN 0.797 nan 8.230 nan 0.000 0.434 78 L N 1.890 123.047 121.223 -0.110 0.000 2.187 78 L HA -0.166 4.174 4.340 0.000 0.000 0.213 78 L C 1.607 178.422 176.870 -0.092 0.000 1.100 78 L CA 1.530 56.311 54.840 -0.099 0.000 0.765 78 L CB -0.107 41.902 42.059 -0.083 0.000 0.904 78 L HN 0.682 nan 8.230 nan 0.000 0.437 79 E N -0.995 119.137 120.200 -0.113 0.000 2.498 79 E HA 0.205 4.555 4.350 0.000 0.000 0.203 79 E C 1.106 177.558 176.600 -0.247 0.000 1.013 79 E CA 0.310 56.611 56.400 -0.166 0.000 0.927 79 E CB 0.611 30.202 29.700 -0.182 0.000 1.012 79 E HN 0.427 nan 8.360 nan 0.000 0.482 80 G N 2.008 110.675 108.800 -0.222 0.000 2.547 80 G HA2 -0.328 3.632 3.960 0.000 0.000 0.271 80 G HA3 -0.328 3.632 3.960 0.000 0.000 0.271 80 G C -0.201 174.516 174.900 -0.305 0.000 1.209 80 G CA 0.097 45.039 45.100 -0.264 0.000 0.959 80 G HN 0.297 nan 8.290 nan 0.000 0.563 81 F N -1.006 118.783 119.950 -0.268 0.000 2.422 81 F HA 0.822 5.349 4.527 0.000 0.000 0.333 81 F C 0.782 176.485 175.800 -0.161 0.000 1.095 81 F CA -1.439 56.459 58.000 -0.171 0.000 1.038 81 F CB 0.887 39.878 39.000 -0.016 0.000 1.156 81 F HN 0.198 nan 8.300 nan 0.000 0.483 82 F N -0.031 120.144 119.950 0.376 0.000 2.530 82 F HA 0.267 4.794 4.527 0.000 0.000 0.292 82 F C 0.743 176.823 175.800 0.466 0.000 1.109 82 F CA 0.247 58.478 58.000 0.385 0.000 1.450 82 F CB 0.073 39.207 39.000 0.224 0.000 1.114 82 F HN 0.455 nan 8.300 nan 0.000 0.560 83 E N -0.873 119.696 120.200 0.614 0.000 2.312 83 E HA 0.530 4.880 4.350 0.000 0.000 0.267 83 E C 0.453 177.294 176.600 0.402 0.000 0.894 83 E CA -0.332 56.340 56.400 0.454 0.000 0.773 83 E CB 2.044 31.909 29.700 0.275 0.000 1.241 83 E HN -0.037 nan 8.360 nan 0.000 0.432 84 A N 2.044 125.032 122.820 0.280 0.000 1.972 84 A HA -0.171 4.149 4.320 0.000 0.000 0.219 84 A C 1.393 178.930 177.584 -0.079 0.000 1.169 84 A CA 1.727 53.794 52.037 0.049 0.000 0.635 84 A CB -0.370 18.694 19.000 0.106 0.000 0.810 84 A HN 0.730 nan 8.150 nan 0.000 0.446 85 D N -0.315 120.096 120.400 0.018 0.000 2.338 85 D HA -0.071 4.569 4.640 0.000 0.000 0.239 85 D C 0.945 177.253 176.300 0.013 0.000 1.095 85 D CA 0.535 54.539 54.000 0.007 0.000 0.888 85 D CB -0.300 40.522 40.800 0.037 0.000 0.899 85 D HN 0.635 nan 8.370 nan 0.000 0.525 86 E N 0.087 120.287 120.200 0.001 0.000 2.385 86 E HA 0.067 4.417 4.350 0.000 0.000 0.194 86 E C 2.124 178.719 176.600 -0.010 0.000 1.013 86 E CA -0.127 56.303 56.400 0.050 0.000 0.866 86 E CB 0.220 30.013 29.700 0.154 0.000 0.832 86 E HN 0.288 nan 8.360 nan 0.000 0.500 87 L N 1.642 122.767 121.223 -0.163 0.000 2.012 87 L HA -0.143 4.197 4.340 0.000 0.000 0.210 87 L C -0.524 176.318 176.870 -0.046 0.000 1.073 87 L CA 1.276 56.014 54.840 -0.170 0.000 0.748 87 L CB -1.408 40.475 42.059 -0.293 0.000 0.891 87 L HN 0.154 nan 8.230 nan 0.000 0.431 88 P HA -0.191 nan 4.420 nan 0.000 0.216 88 P C 1.898 179.208 177.300 0.018 0.000 1.150 88 P CA 1.520 64.614 63.100 -0.011 0.000 0.837 88 P CB 0.055 31.749 31.700 -0.010 0.000 0.786 89 L N -1.078 120.189 121.223 0.073 0.000 2.093 89 L HA -0.119 4.221 4.340 0.000 0.000 0.208 89 L C 2.755 179.752 176.870 0.211 0.000 1.085 89 L CA 1.129 56.069 54.840 0.166 0.000 0.755 89 L CB -0.723 41.472 42.059 0.226 0.000 0.904 89 L HN -0.148 nan 8.230 nan 0.000 0.435 90 I N -1.207 119.487 120.570 0.206 0.000 2.226 90 I HA -0.260 3.910 4.170 0.000 0.000 0.245 90 I C 2.362 178.518 176.117 0.064 0.000 1.100 90 I CA 0.992 62.446 61.300 0.257 0.000 1.374 90 I CB -0.257 37.891 38.000 0.248 0.000 1.057 90 I HN 0.010 nan 8.210 nan 0.000 0.413 91 V N 0.796 120.724 119.914 0.023 0.000 2.270 91 V HA -0.282 3.838 4.120 0.000 0.000 0.245 91 V C 2.518 178.551 176.094 -0.103 0.000 1.043 91 V CA 2.187 64.475 62.300 -0.021 0.000 1.014 91 V CB -0.711 31.102 31.823 -0.017 0.000 0.645 91 V HN 0.461 nan 8.190 nan 0.000 0.447 92 E N 0.287 120.402 120.200 -0.143 0.000 2.086 92 E HA -0.276 4.074 4.350 0.000 0.000 0.200 92 E C 1.971 178.291 176.600 -0.467 0.000 1.012 92 E CA 2.086 58.310 56.400 -0.293 0.000 0.812 92 E CB -0.257 29.244 29.700 -0.331 0.000 0.743 92 E HN 0.743 nan 8.360 nan 0.000 0.453 93 H N -0.701 118.155 119.070 -0.357 0.000 2.586 93 H HA 0.123 4.679 4.556 -0.000 0.000 0.273 93 H C -0.074 174.816 175.328 -0.730 0.000 0.997 93 H CA 0.693 56.372 56.048 -0.614 0.000 1.177 93 H CB 0.093 29.277 29.762 -0.963 0.000 1.471 93 H HN 0.259 nan 8.280 nan 0.000 0.538 94 D N 0.562 120.740 120.400 -0.370 0.000 2.812 94 D HA -0.213 4.427 4.640 0.000 0.000 0.237 94 D C -1.096 175.086 176.300 -0.196 0.000 1.162 94 D CA 0.217 54.099 54.000 -0.196 0.000 0.740 94 D CB -1.525 39.200 40.800 -0.125 0.000 1.000 94 D HN 0.045 nan 8.370 nan 0.000 0.416 95 F N 0.612 120.597 119.950 0.057 0.000 2.385 95 F HA 0.498 5.025 4.527 0.000 0.000 0.336 95 F C 0.711 176.618 175.800 0.178 0.000 1.100 95 F CA -0.840 57.172 58.000 0.021 0.000 1.116 95 F CB 0.632 39.658 39.000 0.043 0.000 1.166 95 F HN -0.003 nan 8.300 nan 0.000 0.511 96 W N 2.678 124.053 121.300 0.125 0.000 2.287 96 W HA 0.405 5.065 4.660 0.000 0.000 0.313 96 W C -0.076 176.430 176.519 -0.022 0.000 1.267 96 W CA -1.397 55.954 57.345 0.011 0.000 1.201 96 W CB 0.937 30.279 29.460 -0.195 0.000 1.196 96 W HN 0.368 nan 8.180 nan 0.000 0.536 97 C N 4.401 123.864 119.300 0.271 0.000 2.382 97 C HA 0.729 5.189 4.460 0.000 0.000 0.327 97 C C -0.148 174.916 174.990 0.124 0.000 1.250 97 C CA -0.483 58.638 59.018 0.170 0.000 1.707 97 C CB 0.362 28.240 27.740 0.230 0.000 2.272 97 C HN 0.341 nan 8.230 nan 0.000 0.506 98 V N 6.530 126.465 119.914 0.035 0.000 2.407 98 V HA 0.375 4.495 4.120 0.000 0.000 0.278 98 V C -0.012 176.032 176.094 -0.084 0.000 1.037 98 V CA -0.246 62.080 62.300 0.044 0.000 0.900 98 V CB 1.585 33.429 31.823 0.035 0.000 0.983 98 V HN 0.721 nan 8.190 nan 0.000 0.459 99 V N 5.946 125.816 119.914 -0.075 0.000 2.350 99 V HA 0.325 4.445 4.120 0.000 0.000 0.276 99 V C 0.900 176.902 176.094 -0.152 0.000 1.028 99 V CA -0.344 61.804 62.300 -0.252 0.000 0.860 99 V CB 0.878 32.583 31.823 -0.196 0.000 0.990 99 V HN 1.056 nan 8.190 nan 0.000 0.453 100 H N 1.514 120.458 119.070 -0.211 0.000 2.885 100 H HA 0.373 4.929 4.556 0.000 0.000 0.260 100 H C 0.341 175.615 175.328 -0.089 0.000 0.985 100 H CA -0.229 55.757 56.048 -0.103 0.000 1.210 100 H CB 1.054 30.761 29.762 -0.092 0.000 1.466 100 H HN 0.512 nan 8.280 nan 0.000 0.493 101 S N 0.190 115.606 115.700 -0.473 0.000 2.632 101 S HA 0.347 4.817 4.470 0.000 0.000 0.289 101 S C 1.047 175.446 174.600 -0.335 0.000 1.115 101 S CA -0.751 57.295 58.200 -0.256 0.000 0.889 101 S CB 2.505 65.635 63.200 -0.117 0.000 1.116 101 S HN 0.125 nan 8.310 nan 0.000 0.486 102 L N 1.493 122.663 121.223 -0.088 0.000 2.201 102 L HA -0.051 4.289 4.340 0.000 0.000 0.212 102 L C 2.440 179.289 176.870 -0.034 0.000 1.105 102 L CA 1.047 55.861 54.840 -0.044 0.000 0.775 102 L CB -0.262 41.828 42.059 0.052 0.000 0.913 102 L HN 0.817 nan 8.230 nan 0.000 0.440 103 W N 0.390 121.671 121.300 -0.031 0.000 2.402 103 W HA -0.157 4.503 4.660 -0.000 0.000 0.286 103 W C 1.696 178.214 176.519 -0.001 0.000 1.221 103 W CA 0.506 57.846 57.345 -0.008 0.000 1.257 103 W CB -0.905 28.555 29.460 -0.000 0.000 1.120 103 W HN 0.276 nan 8.180 nan 0.000 0.551 104 Q N 0.767 119.969 119.800 -0.996 0.000 2.123 104 Q HA -0.163 4.177 4.340 0.000 0.000 0.199 104 Q C 2.432 178.292 176.000 -0.233 0.000 0.966 104 Q CA 1.607 56.860 55.803 -0.916 0.000 0.845 104 Q CB -0.346 27.481 28.738 -1.518 0.000 0.907 104 Q HN 0.238 nan 8.270 nan 0.000 0.439 105 L N 1.237 122.325 121.223 -0.224 0.000 2.093 105 L HA -0.161 4.179 4.340 0.000 0.000 0.208 105 L C 1.216 178.082 176.870 -0.006 0.000 1.085 105 L CA 1.919 56.708 54.840 -0.085 0.000 0.755 105 L CB -0.368 41.637 42.059 -0.090 0.000 0.904 105 L HN 0.045 nan 8.230 nan 0.000 0.435 106 D N 0.120 120.536 120.400 0.026 0.000 2.144 106 D HA -0.121 4.519 4.640 0.000 0.000 0.199 106 D C 2.237 178.590 176.300 0.087 0.000 0.984 106 D CA 1.463 55.503 54.000 0.066 0.000 0.834 106 D CB -0.257 40.606 40.800 0.105 0.000 0.955 106 D HN 0.507 nan 8.370 nan 0.000 0.465 107 A N 0.467 123.372 122.820 0.141 0.000 1.898 107 A HA -0.107 4.213 4.320 0.000 0.000 0.216 107 A C 2.315 179.925 177.584 0.044 0.000 1.181 107 A CA 0.830 52.952 52.037 0.141 0.000 0.620 107 A CB -0.637 18.536 19.000 0.288 0.000 0.819 107 A HN 0.189 nan 8.150 nan 0.000 0.442 108 I N -0.921 119.687 120.570 0.064 0.000 2.252 108 I HA -0.213 3.957 4.170 0.000 0.000 0.245 108 I C 2.529 178.643 176.117 -0.005 0.000 1.102 108 I CA 1.582 62.888 61.300 0.010 0.000 1.385 108 I CB -0.278 37.749 38.000 0.045 0.000 1.064 108 I HN 0.468 nan 8.210 nan 0.000 0.414 109 E N 0.593 120.795 120.200 0.003 0.000 2.110 109 E HA -0.267 4.083 4.350 0.000 0.000 0.193 109 E C 2.168 178.766 176.600 -0.004 0.000 0.988 109 E CA 1.284 57.680 56.400 -0.006 0.000 0.804 109 E CB 0.133 29.831 29.700 -0.004 0.000 0.745 109 E HN 0.514 nan 8.360 nan 0.000 0.458 110 Q N -0.279 119.525 119.800 0.007 0.000 2.250 110 Q HA 0.145 4.485 4.340 0.000 0.000 0.200 110 Q C 0.350 176.348 176.000 -0.003 0.000 0.941 110 Q CA 0.389 56.196 55.803 0.007 0.000 0.872 110 Q CB 0.400 29.151 28.738 0.022 0.000 0.965 110 Q HN 0.139 nan 8.270 nan 0.000 0.480 111 A N 0.992 123.804 122.820 -0.014 0.000 2.386 111 A HA 0.357 4.677 4.320 0.000 0.000 0.248 111 A C -0.335 177.234 177.584 -0.026 0.000 1.082 111 A CA -0.187 51.834 52.037 -0.027 0.000 0.789 111 A CB 0.404 19.370 19.000 -0.056 0.000 1.025 111 A HN 0.057 nan 8.150 nan 0.000 0.490 112 R N 0.726 121.211 120.500 -0.024 0.000 2.239 112 R HA 0.526 4.866 4.340 0.000 0.000 0.332 112 R C -1.257 175.029 176.300 -0.024 0.000 0.988 112 R CA -0.245 55.842 56.100 -0.021 0.000 0.859 112 R CB 0.490 30.781 30.300 -0.015 0.000 1.148 112 R HN 0.557 nan 8.270 nan 0.000 0.482 113 L N 1.812 123.022 121.223 -0.023 0.000 2.325 113 L HA 0.466 4.806 4.340 0.000 0.000 0.279 113 L C 1.307 178.168 176.870 -0.015 0.000 1.054 113 L CA 0.060 54.888 54.840 -0.021 0.000 0.804 113 L CB 1.565 43.614 42.059 -0.018 0.000 1.200 113 L HN 0.743 nan 8.230 nan 0.000 0.436 114 A N 2.813 125.623 122.820 -0.017 0.000 1.902 114 A HA -0.032 4.288 4.320 0.000 0.000 0.217 114 A C 0.778 178.357 177.584 -0.009 0.000 1.181 114 A CA 1.347 53.375 52.037 -0.015 0.000 0.623 114 A CB -0.129 18.858 19.000 -0.022 0.000 0.818 114 A HN 0.655 nan 8.150 nan 0.000 0.443 115 K N -0.469 119.929 120.400 -0.003 0.000 2.426 115 K HA 0.441 4.761 4.320 0.000 0.000 0.251 115 K C -3.011 173.604 176.600 0.025 0.000 0.941 115 K CA -2.326 53.967 56.287 0.011 0.000 0.808 115 K CB 2.235 34.744 32.500 0.015 0.000 1.265 115 K HN 0.037 nan 8.250 nan 0.000 0.432 116 P HA 0.123 nan 4.420 nan 0.000 0.272 116 P C -0.645 176.712 177.300 0.095 0.000 1.223 116 P CA -0.164 62.959 63.100 0.039 0.000 0.784 116 P CB 0.438 32.149 31.700 0.017 0.000 0.923 117 I N -1.815 118.817 120.570 0.104 0.000 3.023 117 I HA 0.487 4.657 4.170 0.000 0.000 0.312 117 I C 0.037 176.281 176.117 0.212 0.000 1.056 117 I CA -1.236 60.184 61.300 0.201 0.000 1.033 117 I CB 1.542 39.648 38.000 0.178 0.000 1.233 117 I HN 0.276 nan 8.210 nan 0.000 0.462 118 H N 2.034 121.153 119.070 0.081 0.000 2.620 118 H HA 0.454 5.010 4.556 0.000 0.000 0.313 118 H C -0.960 174.413 175.328 0.074 0.000 1.075 118 H CA -0.648 55.373 56.048 -0.044 0.000 1.397 118 H CB 2.008 31.523 29.762 -0.411 0.000 1.446 118 H HN 0.329 nan 8.280 nan 0.000 0.493 119 V N 4.763 124.739 119.914 0.102 0.000 2.378 119 V HA 0.022 4.142 4.120 0.000 0.000 0.288 119 V C -0.842 175.346 176.094 0.157 0.000 1.016 119 V CA -0.779 61.599 62.300 0.130 0.000 0.840 119 V CB 0.921 32.752 31.823 0.014 0.000 0.994 119 V HN 0.707 nan 8.190 nan 0.000 0.431 120 W N 5.925 127.190 121.300 -0.059 0.000 2.292 120 W HA 0.538 5.198 4.660 0.000 0.000 0.352 120 W C 0.003 176.522 176.519 0.001 0.000 0.962 120 W CA -0.646 56.672 57.345 -0.045 0.000 1.496 120 W CB 0.678 30.109 29.460 -0.048 0.000 1.381 120 W HN 0.392 nan 8.180 nan 0.000 0.363 124 D N 1.863 122.216 120.400 -0.078 0.000 2.402 124 D HA 0.176 4.816 4.640 0.000 0.000 0.235 124 D C 0.789 176.990 176.300 -0.166 0.000 1.226 124 D CA 0.275 54.221 54.000 -0.089 0.000 0.918 124 D CB 1.000 41.801 40.800 0.001 0.000 1.043 124 D HN 0.455 nan 8.370 nan 0.000 0.506 125 S N 1.990 117.578 115.700 -0.187 0.000 2.582 125 S HA 0.427 4.897 4.470 0.000 0.000 0.234 125 S C 1.302 175.776 174.600 -0.209 0.000 0.961 125 S CA 0.034 58.127 58.200 -0.177 0.000 0.953 125 S CB 0.455 63.580 63.200 -0.125 0.000 0.800 125 S HN 0.621 nan 8.310 nan 0.000 0.471 126 G N 0.931 109.524 108.800 -0.345 0.000 2.935 126 G HA2 -0.155 3.805 3.960 0.000 0.000 0.213 126 G HA3 -0.155 3.805 3.960 0.000 0.000 0.213 126 G C 0.532 175.122 174.900 -0.518 0.000 0.984 126 G CA 0.158 44.990 45.100 -0.447 0.000 0.790 126 G HN 0.337 nan 8.290 nan 0.000 0.538 127 M N 0.334 119.711 119.600 -0.372 0.000 2.288 127 M HA 0.190 4.670 4.480 0.000 0.000 0.266 127 M C 1.126 177.348 176.300 -0.130 0.000 1.072 127 M CA 1.440 56.621 55.300 -0.198 0.000 1.132 127 M CB -0.182 32.364 32.600 -0.089 0.000 1.386 127 M HN 0.345 nan 8.290 nan 0.000 0.432 128 H N -0.103 118.963 119.070 -0.006 0.000 2.770 128 H HA -0.197 4.359 4.556 0.000 0.000 0.309 128 H C 0.705 176.038 175.328 0.009 0.000 1.206 128 H CA 1.200 57.251 56.048 0.006 0.000 1.147 128 H CB -1.736 28.031 29.762 0.010 0.000 1.422 128 H HN 0.550 nan 8.280 nan 0.000 0.420 129 R N 0.289 120.833 120.500 0.073 0.000 1.799 129 R HA 0.364 4.704 4.340 0.000 0.000 0.150 129 R C 0.714 177.027 176.300 0.021 0.000 1.953 129 R CA 0.749 56.871 56.100 0.037 0.000 1.598 129 R CB 0.595 30.900 30.300 0.008 0.000 1.119 129 R HN 0.094 nan 8.270 nan 0.000 0.479 130 V N -1.569 118.326 119.914 -0.033 0.000 2.919 130 V HA 0.921 5.041 4.120 0.000 0.000 0.316 130 V C -0.281 175.829 176.094 0.026 0.000 1.077 130 V CA -0.188 62.080 62.300 -0.053 0.000 0.977 130 V CB 1.181 32.777 31.823 -0.377 0.000 1.039 130 V HN 0.828 nan 8.190 nan 0.000 0.441 131 G N 1.482 110.357 108.800 0.125 0.000 2.335 131 G HA2 0.220 4.180 3.960 0.000 0.000 0.592 131 G HA3 0.220 4.180 3.960 0.000 0.000 0.592 131 G C -1.412 173.573 174.900 0.142 0.000 1.442 131 G CA -0.749 44.428 45.100 0.127 0.000 0.976 131 G HN 0.998 nan 8.290 nan 0.000 0.652 132 L N 1.573 122.887 121.223 0.151 0.000 2.439 132 L HA 0.428 4.768 4.340 0.000 0.000 0.261 132 L C 1.200 178.159 176.870 0.148 0.000 1.153 132 L CA -1.119 53.828 54.840 0.179 0.000 0.808 132 L CB 0.987 43.195 42.059 0.248 0.000 1.126 132 L HN 0.709 nan 8.230 nan 0.000 0.460 133 H N 2.519 121.646 119.070 0.095 0.000 2.764 133 H HA 0.068 4.624 4.556 0.000 0.000 0.341 133 H C -1.836 173.528 175.328 0.059 0.000 1.072 133 H CA -1.414 54.677 56.048 0.072 0.000 1.444 133 H CB 1.740 31.545 29.762 0.071 0.000 1.458 133 H HN 0.303 nan 8.280 nan 0.000 0.572 134 P HA -0.182 nan 4.420 nan 0.000 0.218 134 P C 0.939 178.337 177.300 0.163 0.000 1.146 134 P CA 1.222 64.298 63.100 -0.039 0.000 0.820 134 P CB 0.417 32.025 31.700 -0.154 0.000 0.778 135 N N -0.785 118.140 118.700 0.375 0.000 2.188 135 N HA -0.105 4.635 4.740 0.000 0.000 0.184 135 N C 1.142 176.753 175.510 0.169 0.000 1.018 135 N CA 1.185 54.379 53.050 0.240 0.000 0.858 135 N CB -0.737 37.859 38.487 0.181 0.000 0.989 135 N HN 0.241 nan 8.380 nan 0.000 0.426 136 D N -0.802 119.718 120.400 0.200 0.000 2.348 136 D HA -0.058 4.582 4.640 0.000 0.000 0.211 136 D C 1.495 177.897 176.300 0.170 0.000 0.998 136 D CA 0.056 54.145 54.000 0.150 0.000 0.873 136 D CB -0.026 40.858 40.800 0.140 0.000 0.925 136 D HN 0.339 nan 8.370 nan 0.000 0.524 137 Y N 1.904 122.233 120.300 0.048 0.000 2.145 137 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 137 Y C 2.543 178.457 175.900 0.023 0.000 1.145 137 Y CA 1.482 59.596 58.100 0.024 0.000 1.148 137 Y CB 0.291 38.742 38.460 -0.015 0.000 0.981 137 Y HN -0.202 nan 8.280 nan 0.000 0.507 138 K N -0.191 120.247 120.400 0.064 0.000 2.097 138 K HA -0.131 4.189 4.320 0.000 0.000 0.205 138 K C 2.132 178.744 176.600 0.019 0.000 1.050 138 K CA 0.979 57.261 56.287 -0.009 0.000 0.938 138 K CB -0.241 32.259 32.500 -0.000 0.000 0.718 138 K HN 0.337 nan 8.250 nan 0.000 0.442 139 A N 0.781 123.618 122.820 0.028 0.000 1.969 139 A HA -0.039 4.281 4.320 0.000 0.000 0.218 139 A C 2.219 179.804 177.584 0.003 0.000 1.169 139 A CA 1.637 53.686 52.037 0.021 0.000 0.635 139 A CB -0.546 18.469 19.000 0.026 0.000 0.810 139 A HN 0.440 nan 8.150 nan 0.000 0.445 140 A N -1.687 121.127 122.820 -0.010 0.000 1.930 140 A HA -0.005 4.315 4.320 0.000 0.000 0.215 140 A C 2.085 179.621 177.584 -0.080 0.000 1.176 140 A CA 1.375 53.385 52.037 -0.045 0.000 0.632 140 A CB -0.719 18.255 19.000 -0.044 0.000 0.819 140 A HN 0.680 nan 8.150 nan 0.000 0.445 141 Y N 0.608 120.768 120.300 -0.235 0.000 2.181 141 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 141 Y C 2.451 178.257 175.900 -0.156 0.000 1.146 141 Y CA 2.354 60.308 58.100 -0.244 0.000 1.164 141 Y CB -0.249 38.024 38.460 -0.311 0.000 0.982 141 Y HN 0.408 nan 8.280 nan 0.000 0.515 142 Q N -0.345 119.456 119.800 0.001 0.000 2.167 142 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 142 Q C 2.279 178.212 176.000 -0.112 0.000 0.970 142 Q CA 1.325 57.099 55.803 -0.048 0.000 0.855 142 Q CB -0.094 28.658 28.738 0.024 0.000 0.911 142 Q HN 0.465 nan 8.270 nan 0.000 0.438 143 R N 0.054 120.497 120.500 -0.095 0.000 2.115 143 R HA -0.064 4.276 4.340 0.000 0.000 0.230 143 R C 2.094 178.318 176.300 -0.127 0.000 1.111 143 R CA 0.880 56.927 56.100 -0.089 0.000 0.976 143 R CB -0.085 30.179 30.300 -0.060 0.000 0.870 143 R HN 0.227 nan 8.270 nan 0.000 0.445 144 L N 0.029 121.138 121.223 -0.190 0.000 2.131 144 L HA -0.123 4.217 4.340 0.000 0.000 0.206 144 L C 2.630 179.339 176.870 -0.268 0.000 1.087 144 L CA 1.109 55.816 54.840 -0.222 0.000 0.767 144 L CB -0.275 41.623 42.059 -0.267 0.000 0.917 144 L HN 0.217 nan 8.230 nan 0.000 0.441 145 Q N 0.129 119.708 119.800 -0.368 0.000 2.167 145 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 145 Q C 1.339 177.225 176.000 -0.190 0.000 0.970 145 Q CA 1.271 56.869 55.803 -0.342 0.000 0.855 145 Q CB 0.107 28.592 28.738 -0.421 0.000 0.911 145 Q HN 0.480 nan 8.270 nan 0.000 0.438 146 A N -0.392 122.340 122.820 -0.147 0.000 2.842 146 A HA 0.214 4.534 4.320 0.000 0.000 0.298 146 A C 0.979 178.515 177.584 -0.079 0.000 1.293 146 A CA 0.018 51.998 52.037 -0.095 0.000 0.959 146 A CB 0.224 19.181 19.000 -0.071 0.000 1.119 146 A HN 0.232 nan 8.150 nan 0.000 0.564 147 S N -0.732 114.914 115.700 -0.089 0.000 2.527 147 S HA 0.366 4.836 4.470 0.000 0.000 0.227 147 S C 1.485 176.052 174.600 -0.055 0.000 1.059 147 S CA 1.398 59.557 58.200 -0.069 0.000 0.919 147 S CB -0.078 63.077 63.200 -0.075 0.000 0.805 147 S HN 1.947 nan 8.310 nan 0.000 0.500 148 A N 1.031 123.815 122.820 -0.061 0.000 3.396 148 A HA -0.237 4.083 4.320 0.000 0.000 0.267 148 A C 1.088 178.649 177.584 -0.038 0.000 1.139 148 A CA 1.594 53.603 52.037 -0.047 0.000 1.115 148 A CB -2.636 16.343 19.000 -0.035 0.000 1.133 148 A HN 0.692 nan 8.150 nan 0.000 0.920 149 N N -0.994 117.682 118.700 -0.041 0.000 2.236 149 N HA 0.273 5.013 4.740 0.000 0.000 0.196 149 N C -0.396 175.098 175.510 -0.027 0.000 1.114 149 N CA 0.702 53.735 53.050 -0.027 0.000 0.859 149 N CB 0.651 39.123 38.487 -0.025 0.000 0.982 149 N HN 0.376 nan 8.380 nan 0.000 0.493 150 V N 0.942 120.821 119.914 -0.057 0.000 2.409 150 V HA 0.378 4.498 4.120 0.000 0.000 0.291 150 V C 0.588 176.616 176.094 -0.111 0.000 1.020 150 V CA -0.380 61.871 62.300 -0.082 0.000 0.848 150 V CB 1.411 33.157 31.823 -0.127 0.000 0.990 150 V HN 0.049 nan 8.190 nan 0.000 0.430 151 A N 4.385 127.132 122.820 -0.121 0.000 1.956 151 A HA 0.301 4.621 4.320 0.000 0.000 0.212 151 A C 0.884 178.287 177.584 -0.300 0.000 1.188 151 A CA 0.771 52.714 52.037 -0.157 0.000 0.675 151 A CB 0.261 19.222 19.000 -0.065 0.000 0.845 151 A HN 0.647 nan 8.150 nan 0.000 0.455 152 K N -0.464 119.652 120.400 -0.473 0.000 2.542 152 K HA 0.629 4.949 4.320 0.000 0.000 0.259 152 K C -2.107 174.244 176.600 -0.416 0.000 0.932 152 K CA -0.551 55.423 56.287 -0.520 0.000 0.820 152 K CB 1.590 33.576 32.500 -0.858 0.000 1.345 152 K HN 0.200 nan 8.250 nan 0.000 0.432 153 I N 3.427 123.810 120.570 -0.312 0.000 2.418 153 I HA 0.333 4.503 4.170 0.000 0.000 0.287 153 I C -0.700 175.251 176.117 -0.278 0.000 1.008 153 I CA -1.148 60.001 61.300 -0.252 0.000 1.104 153 I CB 1.941 39.818 38.000 -0.204 0.000 1.264 153 I HN 0.153 nan 8.210 nan 0.000 0.438 154 V N 6.967 126.591 119.914 -0.483 0.000 2.459 154 V HA 0.430 4.550 4.120 0.000 0.000 0.295 154 V C 0.027 175.912 176.094 -0.348 0.000 1.029 154 V CA -0.665 61.235 62.300 -0.667 0.000 0.874 154 V CB 1.864 32.644 31.823 -1.737 0.000 0.985 154 V HN 0.472 nan 8.190 nan 0.000 0.438 155 L N 6.375 127.529 121.223 -0.114 0.000 2.265 155 L HA 0.687 5.027 4.340 0.000 0.000 0.288 155 L C -0.037 176.986 176.870 0.255 0.000 1.058 155 L CA -0.084 54.870 54.840 0.190 0.000 0.809 155 L CB 0.927 43.157 42.059 0.285 0.000 1.179 155 L HN 0.757 nan 8.230 nan 0.000 0.429 156 M N 1.925 121.697 119.600 0.287 0.000 2.619 156 M HA 0.848 5.328 4.480 0.000 0.000 0.297 156 M C -0.790 175.522 176.300 0.021 0.000 1.229 156 M CA -0.368 55.001 55.300 0.116 0.000 0.860 156 M CB 2.498 35.228 32.600 0.216 0.000 1.741 156 M HN 0.401 nan 8.290 nan 0.000 0.462 157 S N -0.922 114.637 115.700 -0.235 0.000 2.643 157 S HA 0.528 4.998 4.470 0.000 0.000 0.270 157 S C -2.145 172.271 174.600 -0.306 0.000 1.166 157 S CA -0.630 57.403 58.200 -0.279 0.000 0.815 157 S CB 1.829 64.768 63.200 -0.434 0.000 1.139 157 S HN 0.955 nan 8.310 nan 0.000 0.472 158 H N 0.631 119.442 119.070 -0.431 0.000 2.771 158 H HA 0.493 5.049 4.556 0.000 0.000 0.361 158 H C -1.567 173.508 175.328 -0.421 0.000 1.108 158 H CA -0.538 55.272 56.048 -0.397 0.000 1.201 158 H CB 0.918 30.573 29.762 -0.178 0.000 1.681 158 H HN 0.451 nan 8.280 nan 0.000 0.534 159 F N 1.986 121.601 119.950 -0.558 0.000 2.396 159 F HA 0.261 4.788 4.527 0.000 0.000 0.343 159 F C 1.233 176.777 175.800 -0.426 0.000 1.104 159 F CA -0.019 57.714 58.000 -0.445 0.000 1.161 159 F CB 1.427 40.172 39.000 -0.424 0.000 1.146 159 F HN 0.661 nan 8.300 nan 0.000 0.522 160 A N 3.437 126.220 122.820 -0.061 0.000 1.943 160 A HA 0.115 4.435 4.320 0.000 0.000 0.213 160 A C 1.426 178.977 177.584 -0.056 0.000 1.181 160 A CA 0.642 52.638 52.037 -0.069 0.000 0.653 160 A CB -0.027 18.940 19.000 -0.055 0.000 0.833 160 A HN 0.759 nan 8.150 nan 0.000 0.451 161 R N -1.115 119.350 120.500 -0.058 0.000 2.698 161 R HA 0.376 4.716 4.340 0.000 0.000 0.422 161 R C 0.983 177.248 176.300 -0.057 0.000 1.073 161 R CA 0.453 56.529 56.100 -0.039 0.000 1.054 161 R CB 0.506 30.794 30.300 -0.019 0.000 1.373 161 R HN 0.339 nan 8.270 nan 0.000 0.593 162 A N 1.401 124.152 122.820 -0.116 0.000 2.067 162 A HA -0.166 4.154 4.320 0.000 0.000 0.219 162 A C 1.661 179.393 177.584 0.248 0.000 1.158 162 A CA 1.477 53.406 52.037 -0.179 0.000 0.661 162 A CB -0.089 18.733 19.000 -0.297 0.000 0.801 162 A HN 0.430 nan 8.150 nan 0.000 0.452 163 D N 0.390 120.906 120.400 0.193 0.000 2.347 163 D HA -0.084 4.556 4.640 0.000 0.000 0.215 163 D C 0.065 176.614 176.300 0.414 0.000 0.976 163 D CA 0.381 54.553 54.000 0.286 0.000 0.884 163 D CB -0.357 40.499 40.800 0.093 0.000 0.915 163 D HN 0.550 nan 8.370 nan 0.000 0.526 164 E N 0.509 120.888 120.200 0.298 0.000 2.046 164 E HA 0.264 4.614 4.350 0.000 0.000 0.279 164 E C 0.785 177.566 176.600 0.302 0.000 0.989 164 E CA -0.308 56.236 56.400 0.241 0.000 0.798 164 E CB 1.849 31.639 29.700 0.148 0.000 1.086 164 E HN 0.149 nan 8.360 nan 0.000 0.399 165 L N 2.173 123.492 121.223 0.160 0.000 2.240 165 L HA -0.095 4.245 4.340 0.000 0.000 0.211 165 L C 1.347 178.192 176.870 -0.042 0.000 1.106 165 L CA 0.840 55.660 54.840 -0.034 0.000 0.793 165 L CB 0.006 41.887 42.059 -0.297 0.000 0.927 165 L HN 0.460 nan 8.230 nan 0.000 0.446 166 D N -0.949 119.460 120.400 0.015 0.000 2.224 166 D HA -0.081 4.559 4.640 0.000 0.000 0.205 166 D C 0.922 177.270 176.300 0.080 0.000 0.965 166 D CA 0.363 54.373 54.000 0.017 0.000 0.852 166 D CB 0.134 40.940 40.800 0.009 0.000 0.947 166 D HN 0.234 nan 8.370 nan 0.000 0.494 167 C N 0.848 120.231 119.300 0.137 0.000 2.644 167 C HA 0.253 4.713 4.460 0.000 0.000 0.417 167 C C 1.816 176.923 174.990 0.195 0.000 1.304 167 C CA 0.211 59.309 59.018 0.133 0.000 2.035 167 C CB 0.165 27.968 27.740 0.106 0.000 2.673 167 C HN 0.454 nan 8.230 nan 0.000 0.602 168 T N 1.999 116.621 114.554 0.113 0.000 3.176 168 T HA 0.126 4.476 4.350 0.000 0.000 0.263 168 T C 1.431 176.134 174.700 0.005 0.000 1.021 168 T CA -0.165 61.997 62.100 0.103 0.000 0.905 168 T CB -0.283 68.634 68.868 0.082 0.000 1.057 168 T HN 0.723 nan 8.240 nan 0.000 0.558 169 R N 2.187 122.667 120.500 -0.033 0.000 2.092 169 R HA 0.067 4.407 4.340 0.000 0.000 0.231 169 R C 2.249 178.463 176.300 -0.143 0.000 1.119 169 R CA 1.572 57.631 56.100 -0.067 0.000 0.970 169 R CB -1.067 29.202 30.300 -0.052 0.000 0.864 169 R HN 0.389 nan 8.270 nan 0.000 0.440 170 S N -0.515 114.966 115.700 -0.364 0.000 2.368 170 S HA -0.104 4.366 4.470 0.000 0.000 0.225 170 S C 1.903 176.274 174.600 -0.380 0.000 1.030 170 S CA 1.402 59.195 58.200 -0.679 0.000 0.999 170 S CB -0.270 61.895 63.200 -1.725 0.000 0.844 170 S HN 0.164 nan 8.310 nan 0.000 0.459 171 V N 1.950 121.714 119.914 -0.251 0.000 2.427 171 V HA -0.161 3.959 4.120 0.000 0.000 0.248 171 V C 2.298 178.389 176.094 -0.005 0.000 1.051 171 V CA 1.547 63.814 62.300 -0.055 0.000 1.048 171 V CB -0.737 31.110 31.823 0.041 0.000 0.666 171 V HN 0.477 nan 8.190 nan 0.000 0.456 172 E N -0.068 120.122 120.200 -0.016 0.000 2.077 172 E HA -0.253 4.097 4.350 0.000 0.000 0.193 172 E C 2.370 178.978 176.600 0.013 0.000 0.989 172 E CA 1.340 57.741 56.400 0.001 0.000 0.800 172 E CB -0.166 29.529 29.700 -0.007 0.000 0.746 172 E HN 0.661 nan 8.360 nan 0.000 0.452 173 Q N 0.275 120.091 119.800 0.026 0.000 2.119 173 Q HA -0.125 4.215 4.340 0.000 0.000 0.201 173 Q C 2.402 178.456 176.000 0.091 0.000 0.972 173 Q CA 1.078 56.909 55.803 0.046 0.000 0.847 173 Q CB 0.048 28.845 28.738 0.098 0.000 0.903 173 Q HN 0.161 nan 8.270 nan 0.000 0.433 174 V N 1.015 121.019 119.914 0.150 0.000 2.295 174 V HA -0.288 3.832 4.120 0.000 0.000 0.246 174 V C 2.294 178.479 176.094 0.151 0.000 1.049 174 V CA 1.910 64.313 62.300 0.172 0.000 1.024 174 V CB -0.935 30.981 31.823 0.155 0.000 0.648 174 V HN 0.390 nan 8.190 nan 0.000 0.447 175 A N -0.429 122.443 122.820 0.086 0.000 1.933 175 A HA -0.152 4.168 4.320 0.000 0.000 0.218 175 A C 2.361 179.963 177.584 0.030 0.000 1.175 175 A CA 2.017 54.085 52.037 0.052 0.000 0.628 175 A CB -0.593 18.426 19.000 0.032 0.000 0.814 175 A HN 0.355 nan 8.150 nan 0.000 0.444 176 V N -1.406 118.523 119.914 0.026 0.000 2.427 176 V HA -0.193 3.927 4.120 0.000 0.000 0.248 176 V C 2.231 178.311 176.094 -0.023 0.000 1.051 176 V CA 1.942 64.233 62.300 -0.015 0.000 1.048 176 V CB -0.881 30.918 31.823 -0.040 0.000 0.666 176 V HN 0.648 nan 8.190 nan 0.000 0.456 177 F N 0.308 120.183 119.950 -0.125 0.000 2.113 177 F HA -0.141 4.386 4.527 0.000 0.000 0.297 177 F C 1.970 177.711 175.800 -0.098 0.000 1.103 177 F CA 1.592 59.498 58.000 -0.156 0.000 1.248 177 F CB -0.233 38.676 39.000 -0.152 0.000 0.999 177 F HN 0.043 nan 8.300 nan 0.000 0.475 178 L N 0.577 121.777 121.223 -0.039 0.000 2.083 178 L HA -0.041 4.299 4.340 0.000 0.000 0.209 178 L C 2.744 179.524 176.870 -0.149 0.000 1.083 178 L CA 1.907 56.679 54.840 -0.112 0.000 0.752 178 L CB -1.543 40.535 42.059 0.030 0.000 0.899 178 L HN 0.301 nan 8.230 nan 0.000 0.433 179 G N -1.571 107.168 108.800 -0.103 0.000 2.422 179 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 179 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 179 G C 1.591 176.425 174.900 -0.111 0.000 1.140 179 G CA 0.672 45.721 45.100 -0.085 0.000 0.775 179 G HN 0.477 nan 8.290 nan 0.000 0.545 180 A N 0.782 123.502 122.820 -0.166 0.000 2.081 180 A HA 0.220 4.540 4.320 0.000 0.000 0.214 180 A C 2.249 179.760 177.584 -0.121 0.000 1.158 180 A CA 1.529 53.484 52.037 -0.137 0.000 0.724 180 A CB -0.094 18.789 19.000 -0.195 0.000 0.826 180 A HN 0.447 nan 8.150 nan 0.000 0.463 181 R N -0.586 119.753 120.500 -0.268 0.000 2.254 181 R HA 0.488 4.828 4.340 0.000 0.000 0.193 181 R C 0.868 177.025 176.300 -0.238 0.000 0.929 181 R CA 0.734 56.665 56.100 -0.282 0.000 1.038 181 R CB -0.770 29.208 30.300 -0.538 0.000 1.009 181 R HN 0.170 nan 8.270 nan 0.000 0.512 182 A N 1.534 124.241 122.820 -0.190 0.000 2.584 182 A HA 0.184 4.504 4.320 0.000 0.000 0.239 182 A C 0.101 177.611 177.584 -0.123 0.000 1.043 182 A CA 1.025 52.982 52.037 -0.134 0.000 0.756 182 A CB -0.307 18.637 19.000 -0.094 0.000 0.963 182 A HN 0.681 nan 8.150 nan 0.000 0.511 183 D N -0.582 119.750 120.400 -0.113 0.000 1.727 183 D HA -0.163 4.477 4.640 0.000 0.000 0.219 183 D C -0.277 175.939 176.300 -0.139 0.000 1.123 183 D CA 1.478 55.416 54.000 -0.104 0.000 1.268 183 D CB -1.745 39.002 40.800 -0.089 0.000 1.411 183 D HN 0.552 nan 8.370 nan 0.000 0.681 184 L N 1.035 122.127 121.223 -0.219 0.000 2.350 184 L HA 0.496 4.836 4.340 0.000 0.000 0.275 184 L C 0.652 177.384 176.870 -0.231 0.000 1.099 184 L CA 0.146 54.791 54.840 -0.325 0.000 0.808 184 L CB 1.586 43.253 42.059 -0.653 0.000 1.149 184 L HN 0.132 nan 8.230 nan 0.000 0.442 185 T N 2.421 116.876 114.554 -0.164 0.000 2.947 185 T HA 0.731 5.081 4.350 0.000 0.000 0.337 185 T C -0.512 174.157 174.700 -0.052 0.000 1.139 185 T CA -0.274 61.775 62.100 -0.084 0.000 0.992 185 T CB 0.164 69.007 68.868 -0.042 0.000 1.043 185 T HN 0.776 nan 8.240 nan 0.000 0.498 186 A N 3.995 126.778 122.820 -0.063 0.000 2.610 186 A HA 0.687 5.007 4.320 0.000 0.000 0.291 186 A C -0.715 176.855 177.584 -0.024 0.000 1.086 186 A CA -0.966 51.051 52.037 -0.034 0.000 0.677 186 A CB 1.088 20.079 19.000 -0.014 0.000 1.278 186 A HN 0.705 nan 8.150 nan 0.000 0.414 187 E N 0.055 120.238 120.200 -0.027 0.000 2.404 187 E HA 0.403 4.753 4.350 0.000 0.000 0.261 187 E C -0.383 176.216 176.600 -0.001 0.000 1.074 187 E CA 0.233 56.640 56.400 0.011 0.000 0.917 187 E CB 0.752 30.492 29.700 0.067 0.000 0.965 187 E HN 0.556 nan 8.360 nan 0.000 0.433 188 I N -1.850 118.767 120.570 0.079 0.000 2.689 188 I HA 0.607 4.777 4.170 0.000 0.000 0.299 188 I C -0.576 175.599 176.117 0.096 0.000 1.059 188 I CA -0.761 60.611 61.300 0.120 0.000 1.055 188 I CB 2.308 40.468 38.000 0.266 0.000 1.243 188 I HN 0.194 nan 8.210 nan 0.000 0.425 189 S N 4.417 120.134 115.700 0.030 0.000 2.672 189 S HA 0.689 5.159 4.470 0.000 0.000 0.291 189 S C -0.207 174.348 174.600 -0.074 0.000 1.145 189 S CA -0.543 57.719 58.200 0.103 0.000 1.013 189 S CB 1.166 64.556 63.200 0.316 0.000 1.017 189 S HN 0.807 nan 8.310 nan 0.000 0.487 190 L N 3.324 124.500 121.223 -0.078 0.000 2.815 190 L HA 0.424 4.764 4.340 0.000 0.000 0.241 190 L C 0.606 177.452 176.870 -0.039 0.000 1.047 190 L CA -0.295 54.385 54.840 -0.266 0.000 0.939 190 L CB 0.027 41.848 42.059 -0.397 0.000 1.490 190 L HN 0.401 nan 8.230 nan 0.000 0.510 191 R N 2.821 123.414 120.500 0.155 0.000 2.347 191 R HA 0.134 4.474 4.340 0.000 0.000 0.304 191 R C -0.365 176.072 176.300 0.227 0.000 1.072 191 R CA -0.208 56.044 56.100 0.254 0.000 0.980 191 R CB 0.261 30.686 30.300 0.209 0.000 0.986 191 R HN 0.290 nan 8.270 nan 0.000 0.448 192 N N 0.567 119.417 118.700 0.250 0.000 2.681 192 N HA 0.144 4.884 4.740 0.000 0.000 0.311 192 N C 0.388 176.007 175.510 0.182 0.000 1.303 192 N CA -0.794 52.395 53.050 0.231 0.000 0.926 192 N CB 0.008 38.660 38.487 0.276 0.000 1.136 192 N HN 0.174 nan 8.380 nan 0.000 0.592 193 S N 0.209 116.008 115.700 0.165 0.000 2.365 193 S HA -0.073 4.397 4.470 0.000 0.000 0.225 193 S C -1.067 173.585 174.600 0.086 0.000 1.039 193 S CA 1.777 60.038 58.200 0.101 0.000 1.033 193 S CB -1.208 62.038 63.200 0.077 0.000 0.887 193 S HN 0.619 nan 8.310 nan 0.000 0.447 194 P HA 0.074 nan 4.420 nan 0.000 0.219 194 P C 1.234 178.775 177.300 0.401 0.000 1.150 194 P CA 1.224 64.398 63.100 0.124 0.000 0.814 194 P CB -0.096 31.652 31.700 0.080 0.000 0.787 195 A N -0.767 122.207 122.820 0.257 0.000 2.014 195 A HA -0.058 4.262 4.320 0.000 0.000 0.218 195 A C 2.233 179.976 177.584 0.265 0.000 1.163 195 A CA 1.175 53.356 52.037 0.240 0.000 0.652 195 A CB -1.468 17.585 19.000 0.089 0.000 0.808 195 A HN 0.022 nan 8.150 nan 0.000 0.449 196 V N -0.180 119.858 119.914 0.207 0.000 2.323 196 V HA -0.176 3.944 4.120 0.000 0.000 0.244 196 V C 2.493 178.677 176.094 0.149 0.000 1.041 196 V CA 1.779 64.168 62.300 0.147 0.000 1.025 196 V CB -0.596 31.283 31.823 0.093 0.000 0.656 196 V HN 0.554 nan 8.190 nan 0.000 0.451 197 L N 0.106 121.451 121.223 0.202 0.000 2.095 197 L HA 0.070 4.410 4.340 0.000 0.000 0.204 197 L C 2.172 179.148 176.870 0.177 0.000 1.080 197 L CA 1.687 56.655 54.840 0.214 0.000 0.759 197 L CB -0.544 41.711 42.059 0.327 0.000 0.914 197 L HN 0.468 nan 8.230 nan 0.000 0.439 198 G N -2.717 106.228 108.800 0.240 0.000 3.228 198 G HA2 0.029 3.989 3.960 0.000 0.000 0.245 198 G HA3 0.029 3.989 3.960 0.000 0.000 0.245 198 G C -0.501 174.204 174.900 -0.325 0.000 1.051 198 G CA -0.351 44.696 45.100 -0.087 0.000 0.809 198 G HN 0.188 nan 8.290 nan 0.000 0.531 199 W N 1.561 122.854 121.300 -0.011 0.000 2.317 199 W HA 0.389 5.049 4.660 -0.000 0.000 0.290 199 W C -1.707 174.793 176.519 -0.033 0.000 0.937 199 W CA -2.068 55.244 57.345 -0.056 0.000 1.790 199 W CB 1.929 31.314 29.460 -0.124 0.000 1.847 199 W HN -0.048 nan 8.180 nan 0.000 0.411 200 P HA -0.172 nan 4.420 nan 0.000 0.222 200 P C 1.447 178.792 177.300 0.075 0.000 1.153 200 P CA 1.322 64.458 63.100 0.060 0.000 0.798 200 P CB 0.351 32.051 31.700 -0.000 0.000 0.796 201 R N 0.148 120.704 120.500 0.094 0.000 2.335 201 R HA 0.149 4.489 4.340 0.000 0.000 0.223 201 R C -0.279 176.089 176.300 0.113 0.000 0.940 201 R CA -0.025 56.127 56.100 0.088 0.000 1.086 201 R CB -1.106 29.237 30.300 0.071 0.000 1.073 201 R HN 0.007 nan 8.270 nan 0.000 0.504 202 V N 4.951 124.948 119.914 0.139 0.000 2.406 202 V HA 0.262 4.382 4.120 0.000 0.000 0.272 202 V C -1.939 174.227 176.094 0.121 0.000 1.043 202 V CA -1.817 60.564 62.300 0.136 0.000 0.915 202 V CB 1.465 33.367 31.823 0.133 0.000 0.988 202 V HN 0.211 nan 8.190 nan 0.000 0.466 203 P HA 0.364 nan 4.420 nan 0.000 0.281 203 P C -0.635 176.720 177.300 0.091 0.000 1.252 203 P CA -0.174 62.983 63.100 0.094 0.000 0.778 203 P CB 1.127 32.887 31.700 0.101 0.000 0.895 204 S N 1.780 117.528 115.700 0.080 0.000 2.626 204 S HA 0.141 4.611 4.470 0.000 0.000 0.275 204 S C 0.270 174.911 174.600 0.068 0.000 1.175 204 S CA -0.578 57.674 58.200 0.088 0.000 0.982 204 S CB 1.237 64.502 63.200 0.108 0.000 1.093 204 S HN 0.404 nan 8.310 nan 0.000 0.472 205 D N 0.915 121.365 120.400 0.082 0.000 2.162 205 D HA 0.006 4.646 4.640 0.000 0.000 0.203 205 D C -0.240 176.009 176.300 -0.085 0.000 0.967 205 D CA 1.140 55.140 54.000 -0.000 0.000 0.840 205 D CB 0.306 41.132 40.800 0.042 0.000 0.972 205 D HN 0.472 nan 8.370 nan 0.000 0.482 206 W N 1.255 122.610 121.300 0.091 0.000 2.532 206 W HA 0.366 5.026 4.660 -0.000 0.000 0.321 206 W C -0.197 176.424 176.519 0.170 0.000 1.037 206 W CA -0.875 56.582 57.345 0.187 0.000 1.220 206 W CB 1.401 31.088 29.460 0.378 0.000 1.361 206 W HN -0.349 nan 8.180 nan 0.000 0.468 207 V N 1.019 121.137 119.914 0.341 0.000 2.732 207 V HA 0.684 4.804 4.120 0.000 0.000 0.310 207 V C -0.162 176.093 176.094 0.269 0.000 1.053 207 V CA -1.557 60.891 62.300 0.247 0.000 0.957 207 V CB 1.919 33.819 31.823 0.129 0.000 1.018 207 V HN 0.616 nan 8.190 nan 0.000 0.452 208 R N 2.716 123.351 120.500 0.225 0.000 2.724 208 R HA 0.395 4.735 4.340 0.000 0.000 0.284 208 R C -2.784 173.616 176.300 0.166 0.000 1.481 208 R CA -1.480 54.741 56.100 0.202 0.000 1.652 208 R CB 1.049 31.467 30.300 0.197 0.000 1.175 208 R HN 0.622 nan 8.270 nan 0.000 0.613 209 P HA 0.119 nan 4.420 nan 0.000 0.281 209 P C -0.115 177.202 177.300 0.028 0.000 1.252 209 P CA 0.101 63.242 63.100 0.068 0.000 0.778 209 P CB 1.991 33.695 31.700 0.007 0.000 0.895 210 G N 2.259 111.077 108.800 0.031 0.000 2.495 210 G HA2 -0.008 3.952 3.960 0.000 0.000 0.219 210 G HA3 -0.008 3.952 3.960 0.000 0.000 0.219 210 G C 0.995 175.707 174.900 -0.314 0.000 1.875 210 G CA -0.106 44.950 45.100 -0.072 0.000 0.757 210 G HN 0.433 nan 8.290 nan 0.000 0.682 211 L N 0.767 121.936 121.223 -0.090 0.000 2.081 211 L HA -0.044 4.296 4.340 0.000 0.000 0.212 211 L C 2.895 179.680 176.870 -0.141 0.000 1.080 211 L CA 1.697 56.481 54.840 -0.094 0.000 0.754 211 L CB -0.267 41.632 42.059 -0.266 0.000 0.893 211 L HN 0.296 nan 8.230 nan 0.000 0.433 212 M N -1.215 118.297 119.600 -0.147 0.000 2.151 212 M HA -0.346 4.134 4.480 0.000 0.000 0.256 212 M C 2.146 178.304 176.300 -0.236 0.000 1.072 212 M CA 2.346 57.562 55.300 -0.139 0.000 1.090 212 M CB -0.576 31.966 32.600 -0.097 0.000 1.294 212 M HN 0.342 nan 8.290 nan 0.000 0.415 213 L N -1.633 119.311 121.223 -0.464 0.000 2.127 213 L HA -0.227 4.113 4.340 0.000 0.000 0.211 213 L C 1.771 178.270 176.870 -0.619 0.000 1.089 213 L CA 1.381 55.872 54.840 -0.582 0.000 0.757 213 L CB -0.969 40.587 42.059 -0.838 0.000 0.899 213 L HN 0.363 nan 8.230 nan 0.000 0.434 214 Y N -0.054 120.063 120.300 -0.304 0.000 2.490 214 Y HA 0.295 4.845 4.550 -0.000 0.000 0.281 214 Y C 1.678 177.471 175.900 -0.177 0.000 1.174 214 Y CA 0.125 57.966 58.100 -0.431 0.000 1.295 214 Y CB -0.065 37.905 38.460 -0.818 0.000 1.062 214 Y HN 0.238 nan 8.280 nan 0.000 0.522 215 G N 0.944 109.736 108.800 -0.012 0.000 2.212 215 G HA2 -0.241 3.719 3.960 0.000 0.000 0.255 215 G HA3 -0.241 3.719 3.960 0.000 0.000 0.255 215 G C -0.190 174.774 174.900 0.106 0.000 1.062 215 G CA 0.353 45.485 45.100 0.054 0.000 0.815 215 G HN 0.332 nan 8.290 nan 0.000 0.497 216 S N -1.039 114.723 115.700 0.103 0.000 2.538 216 S HA 0.749 5.219 4.470 0.000 0.000 0.288 216 S C 0.190 174.799 174.600 0.014 0.000 1.108 216 S CA 0.448 58.708 58.200 0.100 0.000 0.971 216 S CB 1.785 65.105 63.200 0.201 0.000 1.041 216 S HN 1.168 nan 8.310 nan 0.000 0.483 217 S N 3.394 119.099 115.700 0.007 0.000 2.545 217 S HA 0.461 4.931 4.470 0.000 0.000 0.275 217 S C -1.751 172.778 174.600 -0.118 0.000 1.299 217 S CA -1.368 56.817 58.200 -0.024 0.000 1.048 217 S CB 0.708 63.957 63.200 0.083 0.000 0.938 217 S HN 0.665 nan 8.310 nan 0.000 0.496 218 P HA 0.230 nan 4.420 nan 0.000 0.255 218 P C -0.631 176.455 177.300 -0.355 0.000 1.248 218 P CA 0.062 62.973 63.100 -0.316 0.000 0.807 218 P CB -0.072 31.400 31.700 -0.380 0.000 1.150 219 F N 0.127 120.126 119.950 0.080 0.000 2.470 219 F HA 0.320 4.847 4.527 0.000 0.000 0.329 219 F C 1.544 177.366 175.800 0.038 0.000 1.072 219 F CA -0.832 57.203 58.000 0.058 0.000 0.989 219 F CB 0.516 39.539 39.000 0.038 0.000 1.193 219 F HN -0.347 nan 8.300 nan 0.000 0.481 220 D N 0.076 120.613 120.400 0.229 0.000 2.137 220 D HA -0.042 4.598 4.640 0.000 0.000 0.202 220 D C 0.153 176.518 176.300 0.108 0.000 0.970 220 D CA 1.056 55.131 54.000 0.126 0.000 0.837 220 D CB -0.008 40.846 40.800 0.089 0.000 0.981 220 D HN 0.600 nan 8.370 nan 0.000 0.475 221 E N 1.765 122.030 120.200 0.108 0.000 2.343 221 E HA 0.236 4.586 4.350 0.000 0.000 0.269 221 E C -2.190 174.439 176.600 0.049 0.000 1.047 221 E CA -1.697 54.729 56.400 0.043 0.000 0.874 221 E CB 0.675 30.363 29.700 -0.020 0.000 1.033 221 E HN 0.047 nan 8.360 nan 0.000 0.409 222 P HA -0.047 nan 4.420 nan 0.000 0.267 222 P C -1.045 176.233 177.300 -0.037 0.000 1.205 222 P CA 0.088 63.199 63.100 0.018 0.000 0.765 222 P CB 0.755 32.459 31.700 0.008 0.000 0.828 223 Q N 2.307 122.095 119.800 -0.019 0.000 2.365 223 Q HA 0.596 4.936 4.340 0.000 0.000 0.269 223 Q C 0.664 176.643 176.000 -0.035 0.000 1.061 223 Q CA -0.691 55.052 55.803 -0.099 0.000 0.816 223 Q CB 1.737 30.362 28.738 -0.187 0.000 1.325 223 Q HN 0.353 nan 8.270 nan 0.000 0.446 224 A N 2.250 125.031 122.820 -0.064 0.000 1.877 224 A HA -0.108 4.212 4.320 0.000 0.000 0.216 224 A C 1.615 179.196 177.584 -0.004 0.000 1.186 224 A CA 2.184 54.201 52.037 -0.034 0.000 0.620 224 A CB -0.893 18.076 19.000 -0.052 0.000 0.822 224 A HN 0.884 nan 8.150 nan 0.000 0.443 225 T N 0.056 114.608 114.554 -0.002 0.000 2.904 225 T HA 0.156 4.506 4.350 0.000 0.000 0.267 225 T C 2.042 176.784 174.700 0.070 0.000 1.059 225 T CA 1.095 63.212 62.100 0.028 0.000 1.137 225 T CB -0.246 68.638 68.868 0.026 0.000 0.879 225 T HN 0.541 nan 8.240 nan 0.000 0.467 226 A N 1.254 124.142 122.820 0.112 0.000 2.067 226 A HA 0.078 4.398 4.320 0.000 0.000 0.217 226 A C 2.462 180.107 177.584 0.101 0.000 1.156 226 A CA 0.951 53.077 52.037 0.148 0.000 0.683 226 A CB -0.579 18.583 19.000 0.270 0.000 0.808 226 A HN 0.388 nan 8.150 nan 0.000 0.455 227 S N -0.455 115.289 115.700 0.074 0.000 2.474 227 S HA -0.072 4.398 4.470 0.000 0.000 0.235 227 S C 1.807 176.444 174.600 0.061 0.000 0.997 227 S CA 0.888 59.122 58.200 0.057 0.000 0.949 227 S CB -0.208 63.014 63.200 0.036 0.000 0.766 227 S HN 0.627 nan 8.310 nan 0.000 0.517 228 R N 0.280 120.824 120.500 0.074 0.000 2.299 228 R HA 0.212 4.552 4.340 0.000 0.000 0.197 228 R C -0.033 176.364 176.300 0.161 0.000 0.971 228 R CA 0.076 56.240 56.100 0.107 0.000 1.030 228 R CB -0.098 30.261 30.300 0.097 0.000 0.932 228 R HN 0.314 nan 8.270 nan 0.000 0.477 229 L N 1.634 122.927 121.223 0.116 0.000 2.426 229 L HA 0.054 4.394 4.340 0.000 0.000 0.271 229 L C 0.145 177.068 176.870 0.088 0.000 1.169 229 L CA 0.378 55.288 54.840 0.117 0.000 0.836 229 L CB 0.693 42.799 42.059 0.078 0.000 1.112 229 L HN 0.043 nan 8.230 nan 0.000 0.465 230 Q N 4.092 123.945 119.800 0.088 0.000 2.333 230 Q HA 0.337 4.677 4.340 0.000 0.000 0.265 230 Q C -2.345 173.687 176.000 0.052 0.000 0.989 230 Q CA -2.074 53.745 55.803 0.028 0.000 0.842 230 Q CB 1.793 30.494 28.738 -0.062 0.000 1.262 230 Q HN 0.306 nan 8.270 nan 0.000 0.451 231 P HA -0.093 nan 4.420 nan 0.000 0.262 231 P C 0.088 177.451 177.300 0.105 0.000 1.199 231 P CA 0.261 63.426 63.100 0.109 0.000 0.763 231 P CB 0.864 32.636 31.700 0.120 0.000 0.790 232 V N 4.035 124.023 119.914 0.123 0.000 2.341 232 V HA -0.022 4.098 4.120 0.000 0.000 0.240 232 V C 1.403 177.596 176.094 0.166 0.000 1.035 232 V CA 1.204 63.579 62.300 0.124 0.000 1.033 232 V CB -0.464 31.418 31.823 0.097 0.000 0.678 232 V HN 0.526 nan 8.190 nan 0.000 0.464 233 M N 0.833 120.576 119.600 0.239 0.000 2.211 233 M HA 0.220 4.700 4.480 0.000 0.000 0.356 233 M C -0.745 175.685 176.300 0.217 0.000 1.216 233 M CA 0.536 55.956 55.300 0.201 0.000 1.134 233 M CB 0.938 33.633 32.600 0.159 0.000 1.564 233 M HN 0.221 nan 8.290 nan 0.000 0.463 234 T N 6.152 120.754 114.554 0.079 0.000 2.864 234 T HA 0.403 4.753 4.350 0.000 0.000 0.310 234 T C -0.958 173.669 174.700 -0.123 0.000 1.040 234 T CA -0.547 61.563 62.100 0.016 0.000 0.977 234 T CB 0.740 69.611 68.868 0.006 0.000 0.976 234 T HN 0.586 nan 8.240 nan 0.000 0.459 235 L N 5.379 126.414 121.223 -0.314 0.000 2.255 235 L HA 0.536 4.876 4.340 0.000 0.000 0.289 235 L C 0.139 176.806 176.870 -0.338 0.000 1.046 235 L CA -0.045 54.522 54.840 -0.455 0.000 0.816 235 L CB 0.076 41.555 42.059 -0.967 0.000 1.197 235 L HN 0.697 nan 8.230 nan 0.000 0.427 236 E N 3.027 123.096 120.200 -0.218 0.000 2.359 236 E HA 0.819 5.169 4.350 0.000 0.000 0.266 236 E C -1.189 175.328 176.600 -0.140 0.000 0.920 236 E CA -0.991 55.318 56.400 -0.152 0.000 0.788 236 E CB 2.011 31.660 29.700 -0.085 0.000 1.279 236 E HN 0.414 nan 8.360 nan 0.000 0.438 237 S N -0.108 115.523 115.700 -0.116 0.000 2.757 237 S HA 0.492 4.962 4.470 0.000 0.000 0.285 237 S C -1.629 172.923 174.600 -0.079 0.000 1.196 237 S CA -0.831 57.307 58.200 -0.103 0.000 0.856 237 S CB 1.338 64.463 63.200 -0.126 0.000 1.212 237 S HN 0.496 nan 8.310 nan 0.000 0.516 238 K N 0.722 121.078 120.400 -0.073 0.000 2.395 238 K HA 0.635 4.955 4.320 0.000 0.000 0.247 238 K C -1.414 175.149 176.600 -0.063 0.000 0.973 238 K CA -0.859 55.392 56.287 -0.060 0.000 0.828 238 K CB 1.923 34.394 32.500 -0.049 0.000 1.272 238 K HN 0.395 nan 8.250 nan 0.000 0.439 239 V N 3.780 123.661 119.914 -0.055 0.000 2.439 239 V HA 0.043 4.163 4.120 0.000 0.000 0.271 239 V C 1.119 177.185 176.094 -0.047 0.000 1.040 239 V CA 0.146 62.413 62.300 -0.053 0.000 1.002 239 V CB 0.086 31.880 31.823 -0.048 0.000 1.000 239 V HN 0.717 nan 8.190 nan 0.000 0.477 240 I N 1.524 122.066 120.570 -0.048 0.000 3.968 240 I HA 0.407 4.577 4.170 0.000 0.000 0.328 240 I C 0.577 176.671 176.117 -0.037 0.000 1.290 240 I CA 0.236 61.510 61.300 -0.042 0.000 1.163 240 I CB 0.525 38.498 38.000 -0.045 0.000 1.024 240 I HN 0.579 nan 8.210 nan 0.000 0.413 241 C N 1.109 120.387 119.300 -0.038 0.000 2.811 241 C HA 0.715 5.175 4.460 0.000 0.000 0.352 241 C C -0.765 174.207 174.990 -0.031 0.000 1.098 241 C CA -0.365 58.633 59.018 -0.033 0.000 1.295 241 C CB 1.337 29.056 27.740 -0.034 0.000 1.758 241 C HN 0.155 nan 8.230 nan 0.000 0.488 242 V N 6.251 126.150 119.914 -0.025 0.000 2.540 242 V HA 0.721 4.841 4.120 0.000 0.000 0.302 242 V C -0.103 175.981 176.094 -0.016 0.000 1.035 242 V CA -0.500 61.788 62.300 -0.022 0.000 0.873 242 V CB 1.758 33.568 31.823 -0.021 0.000 0.992 242 V HN 0.880 nan 8.190 nan 0.000 0.428 243 R N 2.540 123.033 120.500 -0.012 0.000 2.673 243 R HA 0.557 4.897 4.340 0.000 0.000 0.281 243 R C -1.153 175.146 176.300 -0.001 0.000 0.991 243 R CA -0.625 55.470 56.100 -0.007 0.000 0.896 243 R CB 2.416 32.712 30.300 -0.007 0.000 1.201 243 R HN 0.803 nan 8.270 nan 0.000 0.457 244 E N 3.902 124.102 120.200 -0.000 0.000 2.171 244 E HA 0.395 4.745 4.350 0.000 0.000 0.271 244 E C -0.971 175.632 176.600 0.006 0.000 0.916 244 E CA -0.630 55.772 56.400 0.004 0.000 0.774 244 E CB 2.002 31.702 29.700 0.000 0.000 1.128 244 E HN 0.332 nan 8.360 nan 0.000 0.403 245 L N 4.387 125.617 121.223 0.012 0.000 2.381 245 L HA 0.526 4.866 4.340 0.000 0.000 0.268 245 L C -2.243 174.631 176.870 0.006 0.000 0.997 245 L CA -2.115 52.731 54.840 0.010 0.000 0.818 245 L CB 2.056 44.126 42.059 0.018 0.000 1.310 245 L HN 0.376 nan 8.230 nan 0.000 0.416 246 P HA 0.212 nan 4.420 nan 0.000 0.279 246 P C -0.887 176.405 177.300 -0.013 0.000 1.282 246 P CA -0.515 62.582 63.100 -0.006 0.000 0.788 246 P CB 0.709 32.404 31.700 -0.008 0.000 1.139 247 A N -0.757 122.052 122.820 -0.018 0.000 2.425 247 A HA 0.478 4.798 4.320 0.000 0.000 0.249 247 A C 1.193 178.752 177.584 -0.043 0.000 1.084 247 A CA 0.500 52.518 52.037 -0.033 0.000 0.781 247 A CB -1.387 17.596 19.000 -0.028 0.000 1.019 247 A HN 0.898 nan 8.150 nan 0.000 0.490 248 G N 0.839 109.598 108.800 -0.068 0.000 2.132 248 G HA2 -0.130 3.830 3.960 0.000 0.000 0.228 248 G HA3 -0.130 3.830 3.960 0.000 0.000 0.228 248 G C -0.236 174.625 174.900 -0.064 0.000 1.000 248 G CA 0.186 45.245 45.100 -0.069 0.000 0.693 248 G HN 0.751 nan 8.290 nan 0.000 0.515 249 E N 0.894 121.052 120.200 -0.070 0.000 2.166 249 E HA 0.451 4.801 4.350 0.000 0.000 0.275 249 E C -2.423 174.141 176.600 -0.061 0.000 0.941 249 E CA -1.876 54.496 56.400 -0.048 0.000 0.784 249 E CB 2.460 32.146 29.700 -0.023 0.000 1.115 249 E HN 0.235 nan 8.360 nan 0.000 0.399 250 P HA 0.193 nan 4.420 nan 0.000 0.284 250 P C -0.494 176.825 177.300 0.032 0.000 1.253 250 P CA -0.439 62.651 63.100 -0.016 0.000 0.800 250 P CB 1.036 32.733 31.700 -0.004 0.000 0.961 251 V N 2.629 122.603 119.914 0.099 0.000 2.487 251 V HA 0.707 4.827 4.120 0.000 0.000 0.298 251 V C 0.756 176.910 176.094 0.101 0.000 1.028 251 V CA 0.367 62.743 62.300 0.127 0.000 0.860 251 V CB 0.632 32.608 31.823 0.256 0.000 0.991 251 V HN 1.105 nan 8.190 nan 0.000 0.427 252 G N 3.833 112.638 108.800 0.009 0.000 2.725 252 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 252 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 252 G C -0.741 174.136 174.900 -0.038 0.000 1.357 252 G CA -0.554 44.512 45.100 -0.056 0.000 0.866 252 G HN 0.641 nan 8.290 nan 0.000 0.548 253 Y N 1.102 121.445 120.300 0.071 0.000 2.597 253 Y HA 0.333 4.883 4.550 0.000 0.000 0.336 253 Y C 1.948 177.886 175.900 0.063 0.000 1.216 253 Y CA 1.676 59.815 58.100 0.065 0.000 1.463 253 Y CB 0.785 39.289 38.460 0.073 0.000 1.303 253 Y HN 2.115 nan 8.280 nan 0.000 0.576 254 G N 1.794 110.737 108.800 0.239 0.000 2.175 254 G HA2 -0.156 3.804 3.960 0.000 0.000 0.265 254 G HA3 -0.156 3.804 3.960 0.000 0.000 0.265 254 G C 0.784 175.748 174.900 0.107 0.000 0.979 254 G CA 0.442 45.628 45.100 0.143 0.000 0.663 254 G HN 1.885 nan 8.290 nan 0.000 0.533 255 A N -1.526 121.356 122.820 0.104 0.000 2.748 255 A HA -0.253 4.067 4.320 0.000 0.000 0.297 255 A C 1.672 179.309 177.584 0.089 0.000 1.508 255 A CA 2.079 54.163 52.037 0.078 0.000 0.799 255 A CB -1.013 18.014 19.000 0.045 0.000 1.011 255 A HN 0.837 nan 8.150 nan 0.000 0.500 256 R N -1.819 118.759 120.500 0.129 0.000 2.328 256 R HA 0.238 4.578 4.340 0.000 0.000 0.200 256 R C -0.109 176.326 176.300 0.225 0.000 0.983 256 R CA 0.815 57.000 56.100 0.142 0.000 1.062 256 R CB -0.554 29.827 30.300 0.135 0.000 0.956 256 R HN 0.841 nan 8.270 nan 0.000 0.479 257 F N 0.027 119.997 119.950 0.035 0.000 2.630 257 F HA 0.394 4.921 4.527 0.000 0.000 0.325 257 F C -1.407 174.405 175.800 0.019 0.000 1.184 257 F CA -1.339 56.678 58.000 0.028 0.000 1.011 257 F CB 1.092 40.110 39.000 0.030 0.000 1.268 257 F HN -0.254 nan 8.300 nan 0.000 0.480 258 I N 3.901 124.046 120.570 -0.708 0.000 2.433 258 I HA 0.327 4.497 4.170 0.000 0.000 0.292 258 I C -0.025 175.583 176.117 -0.848 0.000 1.001 258 I CA -0.729 60.234 61.300 -0.563 0.000 1.119 258 I CB 2.298 40.135 38.000 -0.271 0.000 1.289 258 I HN 0.679 nan 8.210 nan 0.000 0.438 259 T N 3.946 118.195 114.554 -0.509 0.000 2.765 259 T HA 0.130 4.480 4.350 0.000 0.000 0.284 259 T C -1.638 172.936 174.700 -0.209 0.000 0.946 259 T CA -0.972 60.942 62.100 -0.309 0.000 1.185 259 T CB 0.335 69.151 68.868 -0.087 0.000 0.887 259 T HN 0.462 nan 8.240 nan 0.000 0.532 260 P HA 0.043 nan 4.420 nan 0.000 0.225 260 P C 0.275 177.553 177.300 -0.038 0.000 1.156 260 P CA 0.917 63.965 63.100 -0.086 0.000 0.787 260 P CB 0.235 31.910 31.700 -0.043 0.000 0.802 261 K N -1.117 119.274 120.400 -0.016 0.000 2.495 261 K HA 0.517 4.837 4.320 0.000 0.000 0.268 261 K C -3.189 173.415 176.600 0.006 0.000 1.008 261 K CA -2.563 53.724 56.287 -0.000 0.000 0.882 261 K CB 1.019 33.528 32.500 0.015 0.000 1.443 261 K HN -0.334 nan 8.250 nan 0.000 0.447 262 P HA 0.026 nan 4.420 nan 0.000 0.263 262 P C -0.832 176.481 177.300 0.022 0.000 1.195 262 P CA 0.421 63.527 63.100 0.010 0.000 0.762 262 P CB 0.415 32.118 31.700 0.005 0.000 0.799 263 M N 2.409 122.027 119.600 0.030 0.000 2.658 263 M HA 0.444 4.924 4.480 0.000 0.000 0.295 263 M C 0.135 176.453 176.300 0.030 0.000 1.248 263 M CA -0.926 54.400 55.300 0.042 0.000 0.843 263 M CB 3.368 36.016 32.600 0.080 0.000 1.749 263 M HN 0.167 nan 8.290 nan 0.000 0.464 264 R N 1.606 122.121 120.500 0.025 0.000 2.387 264 R HA 0.641 4.981 4.340 0.000 0.000 0.314 264 R C -1.524 174.783 176.300 0.012 0.000 0.958 264 R CA -0.504 55.603 56.100 0.013 0.000 0.846 264 R CB 0.989 31.290 30.300 0.002 0.000 1.147 264 R HN 0.513 nan 8.270 nan 0.000 0.447 265 I N 2.887 123.462 120.570 0.009 0.000 2.441 265 I HA 0.458 4.628 4.170 0.000 0.000 0.295 265 I C 0.504 176.613 176.117 -0.013 0.000 0.994 265 I CA -0.682 60.621 61.300 0.005 0.000 1.144 265 I CB 1.612 39.624 38.000 0.020 0.000 1.314 265 I HN 0.764 nan 8.210 nan 0.000 0.445 266 G N 4.808 113.593 108.800 -0.026 0.000 2.513 266 G HA2 0.603 4.563 3.960 0.000 0.000 0.317 266 G HA3 0.603 4.563 3.960 0.000 0.000 0.317 266 G C -1.203 173.669 174.900 -0.047 0.000 1.277 266 G CA -0.354 44.724 45.100 -0.037 0.000 0.955 266 G HN 0.295 nan 8.290 nan 0.000 0.484 267 V N 2.216 122.101 119.914 -0.048 0.000 2.398 267 V HA 0.464 4.584 4.120 0.000 0.000 0.286 267 V C -0.016 176.038 176.094 -0.067 0.000 1.026 267 V CA -0.674 61.591 62.300 -0.057 0.000 0.868 267 V CB 1.326 33.118 31.823 -0.052 0.000 0.982 267 V HN 0.530 nan 8.190 nan 0.000 0.443 268 V N 3.532 123.396 119.914 -0.084 0.000 2.513 268 V HA 0.576 4.696 4.120 0.000 0.000 0.299 268 V C 0.715 176.746 176.094 -0.104 0.000 1.035 268 V CA -0.666 61.575 62.300 -0.099 0.000 0.889 268 V CB 1.847 33.593 31.823 -0.128 0.000 0.988 268 V HN 0.971 nan 8.190 nan 0.000 0.440 269 A N 5.702 128.465 122.820 -0.096 0.000 2.981 269 A HA 0.601 4.921 4.320 0.000 0.000 0.280 269 A C -0.165 177.352 177.584 -0.113 0.000 1.797 269 A CA 0.291 52.272 52.037 -0.093 0.000 1.456 269 A CB -0.885 18.069 19.000 -0.076 0.000 1.057 269 A HN 0.826 nan 8.150 nan 0.000 0.602 270 M N 1.235 120.758 119.600 -0.128 0.000 2.346 270 M HA 0.563 5.043 4.480 0.000 0.000 0.287 270 M C -0.370 175.855 176.300 -0.126 0.000 1.100 270 M CA 0.145 55.358 55.300 -0.146 0.000 0.950 270 M CB 1.445 33.910 32.600 -0.225 0.000 1.815 270 M HN 0.531 nan 8.290 nan 0.000 0.497 271 G N 1.955 110.704 108.800 -0.085 0.000 3.022 271 G HA2 0.463 4.423 3.960 0.000 0.000 0.284 271 G HA3 0.463 4.423 3.960 0.000 0.000 0.284 271 G C -0.440 174.485 174.900 0.041 0.000 1.375 271 G CA -0.190 44.862 45.100 -0.080 0.000 0.902 271 G HN 0.935 nan 8.290 nan 0.000 0.538 272 Y N -1.862 118.516 120.300 0.131 0.000 2.561 272 Y HA 0.381 4.931 4.550 0.000 0.000 0.291 272 Y C 2.333 178.290 175.900 0.095 0.000 1.141 272 Y CA 0.914 59.096 58.100 0.136 0.000 1.303 272 Y CB -0.223 38.304 38.460 0.112 0.000 1.015 272 Y HN 0.341 nan 8.280 nan 0.000 0.547 273 A N 0.716 123.539 122.820 0.005 0.000 2.067 273 A HA -0.093 4.227 4.320 0.000 0.000 0.217 273 A C 1.625 179.244 177.584 0.058 0.000 1.156 273 A CA 1.333 53.401 52.037 0.051 0.000 0.683 273 A CB -0.431 18.536 19.000 -0.056 0.000 0.808 273 A HN 0.481 nan 8.150 nan 0.000 0.455 274 D N -1.377 119.052 120.400 0.048 0.000 2.323 274 D HA 0.180 4.820 4.640 0.000 0.000 0.209 274 D C 1.438 177.805 176.300 0.112 0.000 0.973 274 D CA 1.330 55.358 54.000 0.048 0.000 0.874 274 D CB 0.422 41.223 40.800 0.001 0.000 0.930 274 D HN 0.579 nan 8.370 nan 0.000 0.521 275 G N 0.130 109.042 108.800 0.187 0.000 2.367 275 G HA2 -0.230 3.730 3.960 0.000 0.000 0.181 275 G HA3 -0.230 3.730 3.960 0.000 0.000 0.181 275 G C -0.046 175.075 174.900 0.368 0.000 1.000 275 G CA -0.484 44.770 45.100 0.257 0.000 0.693 275 G HN 0.297 nan 8.290 nan 0.000 0.480 276 Y N 4.525 124.969 120.300 0.239 0.000 2.465 276 Y HA 0.474 5.024 4.550 0.000 0.000 0.331 276 Y C -1.698 174.349 175.900 0.245 0.000 1.102 276 Y CA -1.568 56.708 58.100 0.293 0.000 1.358 276 Y CB 0.922 39.474 38.460 0.154 0.000 1.213 276 Y HN 0.075 nan 8.280 nan 0.000 0.525 277 P HA 0.015 nan 4.420 nan 0.000 0.267 277 P C 0.016 177.333 177.300 0.028 0.000 1.205 277 P CA 0.129 63.175 63.100 -0.090 0.000 0.765 277 P CB 0.945 32.514 31.700 -0.219 0.000 0.828 278 R N 2.691 123.236 120.500 0.075 0.000 2.148 278 R HA -0.134 4.206 4.340 0.000 0.000 0.223 278 R C 1.588 177.906 176.300 0.029 0.000 1.088 278 R CA 1.313 57.463 56.100 0.083 0.000 0.985 278 R CB -0.026 30.206 30.300 -0.113 0.000 0.880 278 R HN 0.387 nan 8.270 nan 0.000 0.451 279 Q N 0.235 120.023 119.800 -0.021 0.000 2.364 279 Q HA 0.058 4.398 4.340 0.000 0.000 0.207 279 Q C 0.299 176.292 176.000 -0.011 0.000 0.970 279 Q CA 1.004 56.791 55.803 -0.026 0.000 0.888 279 Q CB 0.055 28.763 28.738 -0.049 0.000 0.951 279 Q HN 0.286 nan 8.270 nan 0.000 0.469 280 A N 2.674 125.487 122.820 -0.012 0.000 2.515 280 A HA 0.253 4.573 4.320 0.000 0.000 0.263 280 A C -2.094 175.525 177.584 0.059 0.000 1.096 280 A CA -1.044 50.999 52.037 0.011 0.000 0.769 280 A CB -0.251 18.748 19.000 -0.001 0.000 1.040 280 A HN 0.068 nan 8.150 nan 0.000 0.505 281 P HA 0.295 nan 4.420 nan 0.000 0.284 281 P C -0.186 177.131 177.300 0.029 0.000 1.292 281 P CA -0.512 62.614 63.100 0.043 0.000 0.800 281 P CB 0.301 32.023 31.700 0.036 0.000 1.188 282 T N 0.216 114.772 114.554 0.003 0.000 2.871 282 T HA 0.366 4.716 4.350 0.000 0.000 0.296 282 T C 1.237 175.921 174.700 -0.028 0.000 0.998 282 T CA 1.604 63.659 62.100 -0.076 0.000 1.162 282 T CB -0.708 68.082 68.868 -0.129 0.000 0.947 282 T HN 0.828 nan 8.240 nan 0.000 0.536 283 G N 3.032 111.810 108.800 -0.038 0.000 2.211 283 G HA2 -0.208 3.752 3.960 0.000 0.000 0.201 283 G HA3 -0.208 3.752 3.960 0.000 0.000 0.201 283 G C 0.315 175.234 174.900 0.031 0.000 0.997 283 G CA -0.282 44.820 45.100 0.004 0.000 0.652 283 G HN 0.781 nan 8.290 nan 0.000 0.500 284 T N 4.157 118.739 114.554 0.047 0.000 2.888 284 T HA 0.479 4.829 4.350 0.000 0.000 0.301 284 T C -2.279 172.486 174.700 0.108 0.000 1.001 284 T CA -0.027 62.125 62.100 0.087 0.000 1.147 284 T CB 1.650 70.592 68.868 0.123 0.000 0.931 284 T HN 0.208 nan 8.240 nan 0.000 0.541 285 P HA 0.360 nan 4.420 nan 0.000 0.293 285 P C -0.335 177.069 177.300 0.174 0.000 1.300 285 P CA -0.559 62.619 63.100 0.130 0.000 0.792 285 P CB 0.792 32.567 31.700 0.124 0.000 0.925 286 V N 0.219 120.227 119.914 0.157 0.000 3.345 286 V HA 0.693 4.813 4.120 0.000 0.000 0.308 286 V C -0.409 175.820 176.094 0.224 0.000 1.168 286 V CA -1.068 61.354 62.300 0.203 0.000 1.024 286 V CB 0.393 32.282 31.823 0.109 0.000 1.211 286 V HN 0.411 nan 8.190 nan 0.000 0.461 287 F N -1.126 118.834 119.950 0.017 0.000 2.276 287 F HA 0.027 4.554 4.527 -0.000 0.000 0.498 287 F C -0.533 175.262 175.800 -0.009 0.000 1.249 287 F CA 0.749 58.756 58.000 0.011 0.000 1.591 287 F CB -0.788 38.228 39.000 0.027 0.000 2.494 287 F HN 0.762 nan 8.300 nan 0.000 0.737 288 V N 3.463 123.259 119.914 -0.198 0.000 2.612 288 V HA 0.600 4.720 4.120 0.000 0.000 0.301 288 V C -0.043 175.912 176.094 -0.232 0.000 1.059 288 V CA -0.292 61.924 62.300 -0.141 0.000 0.886 288 V CB 1.789 33.559 31.823 -0.089 0.000 1.007 288 V HN 0.500 nan 8.190 nan 0.000 0.426 289 D N 4.859 125.161 120.400 -0.163 0.000 2.723 289 D HA -0.148 4.492 4.640 0.000 0.000 0.236 289 D C 1.076 177.233 176.300 -0.238 0.000 1.138 289 D CA 2.220 56.131 54.000 -0.147 0.000 0.676 289 D CB -1.220 39.516 40.800 -0.108 0.000 1.069 289 D HN 1.894 nan 8.370 nan 0.000 0.430 290 G N -1.874 106.672 108.800 -0.423 0.000 2.198 290 G HA2 -0.175 3.785 3.960 0.000 0.000 0.260 290 G HA3 -0.175 3.785 3.960 0.000 0.000 0.260 290 G C 0.165 174.669 174.900 -0.659 0.000 1.025 290 G CA 0.303 45.088 45.100 -0.524 0.000 0.769 290 G HN 0.783 nan 8.290 nan 0.000 0.507 291 V N -0.464 118.947 119.914 -0.838 0.000 2.760 291 V HA 0.514 4.634 4.120 0.000 0.000 0.309 291 V C 0.596 176.396 176.094 -0.490 0.000 1.077 291 V CA -1.228 60.776 62.300 -0.493 0.000 0.910 291 V CB 1.948 33.627 31.823 -0.241 0.000 1.008 291 V HN 0.411 nan 8.190 nan 0.000 0.424 292 R N 1.867 122.257 120.500 -0.184 0.000 2.442 292 R HA 0.523 4.863 4.340 0.000 0.000 0.291 292 R C 0.282 176.583 176.300 0.001 0.000 1.069 292 R CA 0.351 56.474 56.100 0.037 0.000 1.022 292 R CB 0.937 31.338 30.300 0.168 0.000 0.976 292 R HN 0.905 nan 8.270 nan 0.000 0.443 293 S N 1.884 117.598 115.700 0.023 0.000 3.728 293 S HA 0.439 4.909 4.470 0.000 0.000 0.253 293 S C -1.610 173.007 174.600 0.029 0.000 1.032 293 S CA -0.661 57.543 58.200 0.007 0.000 1.323 293 S CB 1.029 64.215 63.200 -0.023 0.000 1.223 293 S HN 0.684 nan 8.310 nan 0.000 0.728 294 Q N 0.423 120.227 119.800 0.006 0.000 2.472 294 Q HA 0.596 4.936 4.340 0.000 0.000 0.281 294 Q C -1.702 174.276 176.000 -0.038 0.000 0.997 294 Q CA -0.880 54.923 55.803 -0.000 0.000 0.828 294 Q CB 1.146 29.877 28.738 -0.011 0.000 1.443 294 Q HN 0.500 nan 8.270 nan 0.000 0.390 295 L N 1.784 122.993 121.223 -0.023 0.000 2.439 295 L HA 0.442 4.782 4.340 0.000 0.000 0.269 295 L C -1.405 175.364 176.870 -0.169 0.000 1.179 295 L CA 0.169 54.980 54.840 -0.049 0.000 0.828 295 L CB 0.690 42.777 42.059 0.048 0.000 1.106 295 L HN 0.703 nan 8.230 nan 0.000 0.467 296 L N 5.728 126.818 121.223 -0.222 0.000 2.406 296 L HA 0.673 5.013 4.340 0.000 0.000 0.270 296 L C 0.509 177.204 176.870 -0.292 0.000 0.982 296 L CA -0.207 54.348 54.840 -0.474 0.000 0.843 296 L CB 0.990 42.745 42.059 -0.507 0.000 1.225 296 L HN 0.949 nan 8.230 nan 0.000 0.412 297 G N 2.624 111.269 108.800 -0.259 0.000 2.642 297 G HA2 -0.179 3.781 3.960 0.000 0.000 0.231 297 G HA3 -0.179 3.781 3.960 0.000 0.000 0.231 297 G C -0.451 174.489 174.900 0.067 0.000 1.338 297 G CA -0.800 44.312 45.100 0.021 0.000 0.883 297 G HN 0.489 nan 8.290 nan 0.000 0.570 298 R N -0.547 120.029 120.500 0.126 0.000 2.543 298 R HA 0.389 4.729 4.340 0.000 0.000 0.277 298 R C 0.437 176.849 176.300 0.187 0.000 1.074 298 R CA -0.347 55.855 56.100 0.172 0.000 1.076 298 R CB 0.786 31.230 30.300 0.241 0.000 0.993 298 R HN 0.541 nan 8.270 nan 0.000 0.459 299 V N 3.208 123.263 119.914 0.236 0.000 2.461 299 V HA 0.086 4.206 4.120 0.000 0.000 0.275 299 V C 0.776 177.102 176.094 0.388 0.000 1.047 299 V CA -0.078 62.386 62.300 0.274 0.000 0.955 299 V CB 1.296 33.331 31.823 0.353 0.000 0.988 299 V HN 0.738 nan 8.190 nan 0.000 0.471 300 S N 4.243 120.089 115.700 0.243 0.000 2.661 300 S HA 0.294 4.764 4.470 0.000 0.000 0.265 300 S C 1.178 175.625 174.600 -0.256 0.000 1.225 300 S CA -0.524 57.808 58.200 0.220 0.000 0.986 300 S CB 0.818 64.113 63.200 0.158 0.000 1.008 300 S HN 0.838 nan 8.310 nan 0.000 0.565 301 M N 0.978 120.281 119.600 -0.494 0.000 2.159 301 M HA -0.136 4.344 4.480 0.000 0.000 0.263 301 M C 0.098 176.103 176.300 -0.492 0.000 1.063 301 M CA 1.740 56.460 55.300 -0.968 0.000 1.110 301 M CB -0.062 32.261 32.600 -0.462 0.000 1.374 301 M HN 0.583 nan 8.290 nan 0.000 0.411 302 D N -1.333 118.922 120.400 -0.242 0.000 2.500 302 D HA 0.227 4.867 4.640 0.000 0.000 0.218 302 D C 0.058 176.291 176.300 -0.112 0.000 1.140 302 D CA 0.244 54.155 54.000 -0.148 0.000 0.830 302 D CB 0.789 41.528 40.800 -0.101 0.000 1.055 302 D HN 0.357 nan 8.370 nan 0.000 0.512 303 M N 1.187 120.729 119.600 -0.098 0.000 2.530 303 M HA 0.433 4.913 4.480 0.000 0.000 0.307 303 M C -1.394 174.871 176.300 -0.059 0.000 1.161 303 M CA -0.986 54.268 55.300 -0.077 0.000 0.903 303 M CB 3.086 35.648 32.600 -0.064 0.000 1.711 303 M HN -0.154 nan 8.290 nan 0.000 0.451 304 L N 0.214 121.387 121.223 -0.083 0.000 2.327 304 L HA 0.959 5.299 4.340 0.000 0.000 0.258 304 L C -1.269 175.553 176.870 -0.081 0.000 1.024 304 L CA -0.576 54.220 54.840 -0.072 0.000 0.825 304 L CB 1.839 43.818 42.059 -0.133 0.000 1.386 304 L HN 0.799 nan 8.230 nan 0.000 0.417 305 C N 2.417 121.678 119.300 -0.065 0.000 2.455 305 C HA 0.920 5.380 4.460 0.000 0.000 0.320 305 C C -0.129 174.812 174.990 -0.083 0.000 1.226 305 C CA -0.578 58.400 59.018 -0.066 0.000 1.569 305 C CB 0.030 27.741 27.740 -0.048 0.000 2.200 305 C HN 0.932 nan 8.230 nan 0.000 0.491 306 I N 1.755 122.279 120.570 -0.077 0.000 3.042 306 I HA 0.632 4.802 4.170 0.000 0.000 0.310 306 I C -0.922 175.158 176.117 -0.061 0.000 1.117 306 I CA -0.462 60.792 61.300 -0.076 0.000 1.003 306 I CB 1.646 39.606 38.000 -0.067 0.000 1.228 306 I HN 0.401 nan 8.210 nan 0.000 0.443 307 D N 2.499 122.865 120.400 -0.056 0.000 2.264 307 D HA 0.434 5.074 4.640 0.000 0.000 0.250 307 D C -0.113 176.171 176.300 -0.027 0.000 1.113 307 D CA -0.003 53.978 54.000 -0.032 0.000 0.871 307 D CB 1.361 42.145 40.800 -0.026 0.000 1.167 307 D HN 0.652 nan 8.370 nan 0.000 0.447 308 L N 2.910 124.122 121.223 -0.018 0.000 3.229 308 L HA 0.118 4.458 4.340 0.000 0.000 0.286 308 L C 1.577 178.439 176.870 -0.014 0.000 1.239 308 L CA -0.099 54.727 54.840 -0.023 0.000 1.035 308 L CB 0.523 42.566 42.059 -0.027 0.000 1.408 308 L HN 0.354 nan 8.230 nan 0.000 0.593 309 T N -1.142 113.410 114.554 -0.003 0.000 2.770 309 T HA -0.101 4.249 4.350 0.000 0.000 0.263 309 T C 1.192 175.890 174.700 -0.003 0.000 1.039 309 T CA 1.211 63.313 62.100 0.004 0.000 1.142 309 T CB 0.033 68.912 68.868 0.019 0.000 0.868 309 T HN 0.210 nan 8.240 nan 0.000 0.435 310 D N 0.936 121.332 120.400 -0.006 0.000 2.349 310 D HA 0.089 4.729 4.640 0.000 0.000 0.215 310 D C 0.070 176.356 176.300 -0.023 0.000 1.016 310 D CA 0.273 54.267 54.000 -0.010 0.000 0.870 310 D CB 0.221 41.017 40.800 -0.006 0.000 0.917 310 D HN 0.222 nan 8.370 nan 0.000 0.524 311 V N 2.577 122.472 119.914 -0.032 0.000 2.294 311 V HA 0.136 4.256 4.120 0.000 0.000 0.272 311 V C -1.477 174.595 176.094 -0.037 0.000 1.027 311 V CA -1.172 61.101 62.300 -0.045 0.000 0.823 311 V CB 1.549 33.333 31.823 -0.066 0.000 1.030 311 V HN -0.124 nan 8.190 nan 0.000 0.457 312 P HA -0.083 nan 4.420 nan 0.000 0.214 312 P C 0.844 178.128 177.300 -0.027 0.000 1.162 312 P CA 0.894 63.979 63.100 -0.025 0.000 0.874 312 P CB 0.319 32.006 31.700 -0.022 0.000 0.784 313 Q N -0.602 119.178 119.800 -0.032 0.000 2.735 313 Q HA 0.489 4.829 4.340 0.000 0.000 0.380 313 Q C -0.687 175.290 176.000 -0.039 0.000 1.060 313 Q CA -0.511 55.273 55.803 -0.031 0.000 1.025 313 Q CB -0.107 28.614 28.738 -0.028 0.000 1.350 313 Q HN 0.108 nan 8.270 nan 0.000 0.424 314 A N -0.647 122.149 122.820 -0.041 0.000 2.355 314 A HA 0.971 5.291 4.320 0.000 0.000 0.324 314 A C 0.140 177.702 177.584 -0.037 0.000 1.117 314 A CA -0.019 51.991 52.037 -0.045 0.000 0.785 314 A CB 1.431 20.397 19.000 -0.057 0.000 1.254 314 A HN 0.463 nan 8.150 nan 0.000 0.453 315 G N -0.329 108.449 108.800 -0.036 0.000 2.512 315 G HA2 0.435 4.395 3.960 0.000 0.000 0.186 315 G HA3 0.435 4.395 3.960 0.000 0.000 0.186 315 G C -1.130 173.750 174.900 -0.032 0.000 1.189 315 G CA -0.836 44.245 45.100 -0.031 0.000 0.994 315 G HN 0.777 nan 8.290 nan 0.000 0.506 316 L N 1.767 122.973 121.223 -0.029 0.000 2.513 316 L HA 0.358 4.698 4.340 0.000 0.000 0.272 316 L C 1.637 178.489 176.870 -0.029 0.000 1.187 316 L CA 1.634 56.456 54.840 -0.029 0.000 0.895 316 L CB 0.387 42.431 42.059 -0.025 0.000 1.147 316 L HN 1.638 nan 8.230 nan 0.000 0.483 317 G N 1.952 110.733 108.800 -0.032 0.000 2.176 317 G HA2 -0.263 3.697 3.960 0.000 0.000 0.253 317 G HA3 -0.263 3.697 3.960 0.000 0.000 0.253 317 G C 0.356 175.237 174.900 -0.032 0.000 0.979 317 G CA 0.064 45.145 45.100 -0.031 0.000 0.641 317 G HN 0.547 nan 8.290 nan 0.000 0.530 318 S N 1.408 117.086 115.700 -0.036 0.000 2.531 318 S HA 0.491 4.961 4.470 0.000 0.000 0.279 318 S C 0.719 175.296 174.600 -0.039 0.000 1.305 318 S CA 0.369 58.546 58.200 -0.038 0.000 1.058 318 S CB 1.072 64.245 63.200 -0.045 0.000 0.899 318 S HN 0.424 nan 8.310 nan 0.000 0.493 319 T N 3.554 118.090 114.554 -0.031 0.000 2.814 319 T HA 0.284 4.634 4.350 0.000 0.000 0.297 319 T C -0.098 174.594 174.700 -0.014 0.000 0.956 319 T CA -0.324 61.762 62.100 -0.022 0.000 1.123 319 T CB 0.292 69.156 68.868 -0.006 0.000 0.902 319 T HN 0.321 nan 8.240 nan 0.000 0.528 320 V N 3.872 123.773 119.914 -0.021 0.000 2.409 320 V HA 0.338 4.458 4.120 0.000 0.000 0.291 320 V C 0.236 176.331 176.094 0.003 0.000 1.020 320 V CA -0.901 61.393 62.300 -0.009 0.000 0.848 320 V CB 1.585 33.375 31.823 -0.054 0.000 0.990 320 V HN 0.861 nan 8.190 nan 0.000 0.430 321 E N 4.161 124.416 120.200 0.092 0.000 2.167 321 E HA 0.272 4.622 4.350 0.000 0.000 0.284 321 E C 0.071 176.701 176.600 0.049 0.000 1.016 321 E CA -0.667 55.770 56.400 0.063 0.000 0.817 321 E CB 1.084 30.858 29.700 0.123 0.000 1.080 321 E HN 0.506 nan 8.360 nan 0.000 0.397 322 L N 4.207 125.394 121.223 -0.060 0.000 2.102 322 L HA 0.094 4.434 4.340 0.000 0.000 0.202 322 L C 0.439 177.465 176.870 0.259 0.000 1.076 322 L CA 1.238 56.083 54.840 0.009 0.000 0.761 322 L CB -1.138 40.788 42.059 -0.221 0.000 0.921 322 L HN 0.656 nan 8.230 nan 0.000 0.444 323 W N -2.337 119.041 121.300 0.131 0.000 3.296 323 W HA 0.609 5.269 4.660 0.000 0.000 0.314 323 W C -0.310 176.254 176.519 0.075 0.000 1.238 323 W CA -0.392 57.012 57.345 0.098 0.000 1.193 323 W CB 0.528 30.058 29.460 0.117 0.000 1.383 323 W HN 0.087 nan 8.180 nan 0.000 0.545 324 G N 1.132 110.131 108.800 0.332 0.000 2.667 324 G HA2 0.070 4.030 3.960 0.000 0.000 0.081 324 G HA3 0.070 4.030 3.960 0.000 0.000 0.081 324 G C 0.080 175.052 174.900 0.119 0.000 1.105 324 G CA -0.279 44.948 45.100 0.211 0.000 1.326 324 G HN 0.409 nan 8.290 nan 0.000 0.603 325 K N 0.440 120.851 120.400 0.019 0.000 2.284 325 K HA 0.194 4.514 4.320 0.000 0.000 0.198 325 K C 1.796 178.330 176.600 -0.109 0.000 1.048 325 K CA 0.374 56.649 56.287 -0.021 0.000 0.987 325 K CB 0.189 32.675 32.500 -0.024 0.000 0.800 325 K HN 0.182 nan 8.250 nan 0.000 0.486 326 N N 0.515 119.065 118.700 -0.250 0.000 2.305 326 N HA 0.023 4.763 4.740 0.000 0.000 0.179 326 N C 0.267 175.556 175.510 -0.369 0.000 1.019 326 N CA 0.736 53.473 53.050 -0.522 0.000 0.869 326 N CB 0.600 38.270 38.487 -1.363 0.000 1.000 326 N HN 0.021 nan 8.380 nan 0.000 0.431 327 I N 2.722 123.165 120.570 -0.212 0.000 2.354 327 I HA 0.282 4.452 4.170 0.000 0.000 0.286 327 I C 0.115 176.283 176.117 0.084 0.000 1.007 327 I CA -0.567 60.725 61.300 -0.013 0.000 1.167 327 I CB 0.822 38.877 38.000 0.092 0.000 1.320 327 I HN -0.088 nan 8.210 nan 0.000 0.458 328 L N 4.553 125.810 121.223 0.057 0.000 2.456 328 L HA 0.145 4.485 4.340 0.000 0.000 0.272 328 L C 1.780 178.675 176.870 0.042 0.000 1.189 328 L CA 0.026 54.905 54.840 0.066 0.000 0.846 328 L CB 0.891 42.970 42.059 0.033 0.000 1.111 328 L HN 0.742 nan 8.230 nan 0.000 0.475 329 A N 1.798 124.606 122.820 -0.021 0.000 1.978 329 A HA -0.190 4.130 4.320 0.000 0.000 0.220 329 A C 2.314 179.689 177.584 -0.349 0.000 1.170 329 A CA 1.882 53.706 52.037 -0.354 0.000 0.636 329 A CB -0.660 17.933 19.000 -0.678 0.000 0.810 329 A HN 0.908 nan 8.150 nan 0.000 0.448 330 S N -0.027 115.554 115.700 -0.198 0.000 2.399 330 S HA -0.216 4.254 4.470 0.000 0.000 0.231 330 S C 1.633 176.175 174.600 -0.096 0.000 1.022 330 S CA 1.440 59.552 58.200 -0.146 0.000 0.983 330 S CB -0.465 62.696 63.200 -0.065 0.000 0.803 330 S HN 0.693 nan 8.310 nan 0.000 0.480 331 E N 0.847 121.015 120.200 -0.053 0.000 2.077 331 E HA -0.067 4.283 4.350 0.000 0.000 0.193 331 E C 2.142 178.726 176.600 -0.025 0.000 0.989 331 E CA 1.366 57.757 56.400 -0.015 0.000 0.800 331 E CB -0.312 29.402 29.700 0.024 0.000 0.746 331 E HN 0.437 nan 8.360 nan 0.000 0.452 332 V N 1.156 121.044 119.914 -0.043 0.000 2.427 332 V HA -0.214 3.906 4.120 0.000 0.000 0.248 332 V C 2.254 178.253 176.094 -0.159 0.000 1.051 332 V CA 1.672 63.938 62.300 -0.057 0.000 1.048 332 V CB -0.650 31.178 31.823 0.008 0.000 0.666 332 V HN 0.300 nan 8.190 nan 0.000 0.456 333 A N -0.500 122.182 122.820 -0.230 0.000 1.873 333 A HA -0.236 4.084 4.320 0.000 0.000 0.215 333 A C 2.458 179.963 177.584 -0.132 0.000 1.186 333 A CA 2.457 54.354 52.037 -0.232 0.000 0.616 333 A CB -0.981 17.845 19.000 -0.290 0.000 0.823 333 A HN 0.432 nan 8.150 nan 0.000 0.442 334 T N -0.713 113.785 114.554 -0.093 0.000 2.915 334 T HA 0.067 4.417 4.350 0.000 0.000 0.269 334 T C 1.900 176.579 174.700 -0.036 0.000 1.071 334 T CA 1.656 63.727 62.100 -0.049 0.000 1.132 334 T CB -0.394 68.459 68.868 -0.026 0.000 0.878 334 T HN 0.508 nan 8.240 nan 0.000 0.479 335 A N 0.671 123.469 122.820 -0.037 0.000 1.929 335 A HA 0.382 4.702 4.320 0.000 0.000 0.216 335 A C 2.442 180.007 177.584 -0.030 0.000 1.176 335 A CA 1.502 53.527 52.037 -0.019 0.000 0.628 335 A CB -0.861 18.139 19.000 -0.001 0.000 0.816 335 A HN 0.569 nan 8.150 nan 0.000 0.444 336 A N -1.494 121.288 122.820 -0.063 0.000 2.238 336 A HA 0.222 4.542 4.320 0.000 0.000 0.208 336 A C 0.711 178.259 177.584 -0.060 0.000 1.177 336 A CA 0.877 52.871 52.037 -0.072 0.000 0.804 336 A CB -0.327 18.598 19.000 -0.124 0.000 0.823 336 A HN 0.472 nan 8.150 nan 0.000 0.482 337 D N -0.943 119.427 120.400 -0.050 0.000 2.716 337 D HA -0.126 4.514 4.640 0.000 0.000 0.239 337 D C 0.092 176.363 176.300 -0.049 0.000 1.125 337 D CA 1.491 55.468 54.000 -0.039 0.000 0.681 337 D CB -1.216 39.568 40.800 -0.027 0.000 1.070 337 D HN 0.483 nan 8.370 nan 0.000 0.432 338 T N -1.284 113.230 114.554 -0.065 0.000 2.671 338 T HA 0.672 5.022 4.350 0.000 0.000 0.300 338 T C -0.427 174.231 174.700 -0.071 0.000 1.238 338 T CA -0.518 61.541 62.100 -0.069 0.000 1.020 338 T CB 1.322 70.137 68.868 -0.087 0.000 1.503 338 T HN 0.218 nan 8.240 nan 0.000 0.497 339 I N 0.554 121.094 120.570 -0.051 0.000 2.577 339 I HA 0.581 4.751 4.170 0.000 0.000 0.305 339 I C -1.721 174.342 176.117 -0.089 0.000 0.986 339 I CA -2.744 58.557 61.300 0.002 0.000 1.189 339 I CB 1.889 39.972 38.000 0.138 0.000 1.355 339 I HN 0.381 nan 8.210 nan 0.000 0.476 340 P HA -0.161 nan 4.420 nan 0.000 0.222 340 P C 1.235 178.234 177.300 -0.502 0.000 1.147 340 P CA 1.449 64.212 63.100 -0.562 0.000 0.790 340 P CB -0.077 31.266 31.700 -0.595 0.000 0.780 341 Y N 0.773 120.983 120.300 -0.150 0.000 2.114 341 Y HA -0.209 4.341 4.550 0.000 0.000 0.282 341 Y C 3.116 178.968 175.900 -0.081 0.000 1.165 341 Y CA 1.802 59.907 58.100 0.008 0.000 1.148 341 Y CB -1.286 37.174 38.460 0.000 0.000 0.972 341 Y HN 0.042 nan 8.280 nan 0.000 0.504 342 Q N 0.531 120.351 119.800 0.033 0.000 2.046 342 Q HA -0.165 4.175 4.340 0.000 0.000 0.200 342 Q C 2.237 178.198 176.000 -0.066 0.000 0.975 342 Q CA 2.055 57.841 55.803 -0.029 0.000 0.836 342 Q CB -0.292 28.415 28.738 -0.051 0.000 0.896 342 Q HN 0.729 nan 8.270 nan 0.000 0.428 343 I N -2.699 117.750 120.570 -0.202 0.000 2.394 343 I HA -0.160 4.010 4.170 0.000 0.000 0.251 343 I C 1.806 177.885 176.117 -0.065 0.000 1.136 343 I CA 1.095 62.255 61.300 -0.233 0.000 1.425 343 I CB -0.575 37.092 38.000 -0.556 0.000 1.079 343 I HN 0.085 nan 8.210 nan 0.000 0.425 344 F N 1.128 121.011 119.950 -0.112 0.000 2.146 344 F HA -0.190 4.337 4.527 0.000 0.000 0.298 344 F C 2.708 178.513 175.800 0.007 0.000 1.096 344 F CA 0.956 58.944 58.000 -0.021 0.000 1.275 344 F CB -0.342 38.677 39.000 0.031 0.000 1.008 344 F HN 0.242 nan 8.300 nan 0.000 0.480 345 C N 0.053 119.461 119.300 0.181 0.000 2.432 345 C HA -0.119 4.341 4.460 0.000 0.000 0.280 345 C C 2.290 177.326 174.990 0.078 0.000 1.353 345 C CA 0.628 59.695 59.018 0.080 0.000 1.766 345 C CB -1.226 26.515 27.740 0.002 0.000 1.924 345 C HN 0.439 nan 8.230 nan 0.000 0.509 346 N N 0.848 119.605 118.700 0.095 0.000 2.459 346 N HA 0.011 4.751 4.740 0.000 0.000 0.181 346 N C 0.394 175.982 175.510 0.130 0.000 1.046 346 N CA 0.219 53.330 53.050 0.101 0.000 0.904 346 N CB -0.448 38.101 38.487 0.103 0.000 0.964 346 N HN 0.427 nan 8.380 nan 0.000 0.444 347 L N 1.530 122.849 121.223 0.161 0.000 2.628 347 L HA -0.067 4.273 4.340 0.000 0.000 0.274 347 L C 0.320 177.236 176.870 0.075 0.000 1.209 347 L CA 1.112 56.036 54.840 0.140 0.000 0.930 347 L CB 0.112 42.247 42.059 0.127 0.000 1.183 347 L HN -0.037 nan 8.230 nan 0.000 0.492 348 K N 3.412 123.848 120.400 0.059 0.000 2.495 348 K HA 0.422 4.742 4.320 0.000 0.000 0.268 348 K C 0.320 176.928 176.600 0.014 0.000 1.008 348 K CA -0.478 55.830 56.287 0.036 0.000 0.882 348 K CB 2.225 34.752 32.500 0.044 0.000 1.443 348 K HN 0.535 nan 8.250 nan 0.000 0.447 349 R N -0.598 119.906 120.500 0.006 0.000 1.396 349 R HA -0.244 4.096 4.340 0.000 0.000 0.053 349 R C -0.039 176.250 176.300 -0.018 0.000 0.951 349 R CA 1.910 58.006 56.100 -0.007 0.000 1.960 349 R CB -2.029 28.264 30.300 -0.011 0.000 0.309 349 R HN 0.448 nan 8.270 nan 0.000 0.719 350 V N 1.263 121.160 119.914 -0.029 0.000 2.720 350 V HA 0.302 4.422 4.120 0.000 0.000 0.307 350 V C -1.777 174.288 176.094 -0.048 0.000 1.071 350 V CA -0.716 61.555 62.300 -0.049 0.000 1.199 350 V CB 0.150 31.930 31.823 -0.073 0.000 0.900 350 V HN 0.350 nan 8.190 nan 0.000 0.494 351 P HA 0.358 nan 4.420 nan 0.000 0.271 351 P C -0.768 176.477 177.300 -0.092 0.000 1.216 351 P CA -0.286 62.785 63.100 -0.048 0.000 0.771 351 P CB 0.611 32.289 31.700 -0.038 0.000 0.864 352 R N 2.318 122.750 120.500 -0.112 0.000 2.265 352 R HA 0.489 4.829 4.340 0.000 0.000 0.319 352 R C -0.251 175.831 176.300 -0.363 0.000 1.006 352 R CA -0.356 55.575 56.100 -0.282 0.000 0.880 352 R CB 0.475 30.562 30.300 -0.355 0.000 1.077 352 R HN 0.451 nan 8.270 nan 0.000 0.454 353 L N 4.580 125.574 121.223 -0.381 0.000 2.298 353 L HA 0.436 4.776 4.340 0.000 0.000 0.284 353 L C -0.863 175.831 176.870 -0.294 0.000 1.013 353 L CA -0.796 53.904 54.840 -0.233 0.000 0.824 353 L CB 0.704 42.699 42.059 -0.107 0.000 1.221 353 L HN 0.513 nan 8.230 nan 0.000 0.418 354 Y N 1.745 122.052 120.300 0.011 0.000 2.326 354 Y HA 0.526 5.076 4.550 -0.000 0.000 0.337 354 Y C 0.769 176.678 175.900 0.016 0.000 1.023 354 Y CA -0.258 57.853 58.100 0.018 0.000 1.143 354 Y CB 1.740 40.211 38.460 0.018 0.000 1.183 354 Y HN 0.668 nan 8.280 nan 0.000 0.485 355 S N 1.123 116.909 115.700 0.143 0.000 2.840 355 S HA 0.999 5.469 4.470 0.000 0.000 0.307 355 S C -0.214 174.436 174.600 0.083 0.000 1.180 355 S CA -0.406 57.848 58.200 0.090 0.000 0.846 355 S CB 1.905 65.134 63.200 0.049 0.000 1.233 355 S HN 1.427 nan 8.310 nan 0.000 0.548 356 G N 0.000 108.835 108.800 0.058 0.000 5.446 356 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 356 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 356 G CA 0.000 45.130 45.100 0.050 0.000 0.502 356 G HN 0.000 nan 8.290 nan 0.000 0.925