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 3i58_1_B DATA FIRST_RESID 5 DATA SEQUENCE AAHIGLRALA DLATPMAVRV AATLRVADHI AAGHRTAAEI ASAAGAHADS DATA SEQUENCE LDRLLRHLVA VGLFTRDGQG VYGLTEFGEQ LRDDHAAGKR KWLDMNSAVG DATA SEQUENCE RGDLGFVELA HSIRTGQPAY PVRYGTSFWE DLGSDPVLSA SFDTLMSHHL DATA SEQUENCE ELDYTGIAAK YDWAALGHVV DVGGGSGGLL SALLTAHEDL SGTVLDLQGP DATA SEQUENCE ASAAHRRFLD TGLSGRAQVV VGSFFDPLPA GAGGYVLSAV LHDWDDLSAV DATA SEQUENCE AILRRCAEAA GSGGVVLVIE AVAGDEHAGT GMDLRMLTYF GGKERSLAEL DATA SEQUENCE GELAAQAGLA VRAAHPISYV SIVEMTAL 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.578 177.584 -0.010 0.000 1.274 5 A CA 0.000 52.041 52.037 0.007 0.000 0.836 5 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 6 A N 0.524 123.293 122.820 -0.084 0.000 2.915 6 A HA 0.517 4.837 4.320 -0.000 0.000 0.292 6 A C 0.247 177.741 177.584 -0.150 0.000 1.632 6 A CA 0.006 51.995 52.037 -0.081 0.000 1.337 6 A CB -0.914 18.040 19.000 -0.077 0.000 1.111 6 A HN 0.757 nan 8.150 nan 0.000 0.569 7 H N 2.046 121.103 119.070 -0.021 0.000 2.755 7 H HA 0.199 4.755 4.556 -0.000 0.000 0.273 7 H C 0.192 175.508 175.328 -0.020 0.000 1.055 7 H CA 0.354 56.389 56.048 -0.021 0.000 1.191 7 H CB 0.751 30.499 29.762 -0.024 0.000 1.536 7 H HN 0.717 nan 8.280 nan 0.000 0.529 8 I N -1.924 118.691 120.570 0.075 0.000 2.730 8 I HA 0.501 4.671 4.170 -0.000 0.000 0.298 8 I C 0.751 176.875 176.117 0.012 0.000 1.089 8 I CA -1.126 60.196 61.300 0.038 0.000 1.041 8 I CB 0.826 38.842 38.000 0.028 0.000 1.235 8 I HN -0.053 nan 8.210 nan 0.000 0.423 9 G N 2.504 111.309 108.800 0.008 0.000 2.647 9 G HA2 0.143 4.103 3.960 -0.000 0.000 0.234 9 G HA3 0.143 4.103 3.960 -0.000 0.000 0.234 9 G C 0.609 175.507 174.900 -0.004 0.000 1.252 9 G CA -0.162 44.938 45.100 0.001 0.000 0.846 9 G HN 0.815 nan 8.290 nan 0.000 0.589 10 L N 0.916 122.135 121.223 -0.007 0.000 2.017 10 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 10 L C 2.931 179.796 176.870 -0.008 0.000 1.073 10 L CA 1.862 56.697 54.840 -0.010 0.000 0.745 10 L CB -0.404 41.649 42.059 -0.010 0.000 0.894 10 L HN 0.645 nan 8.230 nan 0.000 0.432 11 R N -0.708 119.789 120.500 -0.005 0.000 2.115 11 R HA -0.042 4.297 4.340 -0.000 0.000 0.230 11 R C 2.214 178.512 176.300 -0.003 0.000 1.111 11 R CA 1.077 57.174 56.100 -0.005 0.000 0.976 11 R CB -0.560 29.739 30.300 -0.003 0.000 0.870 11 R HN 0.521 nan 8.270 nan 0.000 0.445 12 A N 1.002 123.822 122.820 -0.000 0.000 1.969 12 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 12 A C 1.993 179.575 177.584 -0.003 0.000 1.169 12 A CA 0.855 52.894 52.037 0.003 0.000 0.635 12 A CB -0.281 18.723 19.000 0.006 0.000 0.810 12 A HN 0.170 nan 8.150 nan 0.000 0.445 13 L N -0.794 120.424 121.223 -0.007 0.000 2.275 13 L HA 0.033 4.373 4.340 -0.000 0.000 0.215 13 L C 2.260 179.117 176.870 -0.021 0.000 1.119 13 L CA 1.678 56.509 54.840 -0.015 0.000 0.790 13 L CB -0.351 41.699 42.059 -0.015 0.000 0.919 13 L HN 0.339 nan 8.230 nan 0.000 0.443 14 A N -1.867 120.943 122.820 -0.017 0.000 2.423 14 A HA 0.103 4.423 4.320 -0.000 0.000 0.246 14 A C 0.437 178.012 177.584 -0.017 0.000 1.278 14 A CA -0.266 51.760 52.037 -0.019 0.000 0.903 14 A CB -0.640 18.351 19.000 -0.015 0.000 0.997 14 A HN 0.381 nan 8.150 nan 0.000 0.510 15 D N -0.124 120.270 120.400 -0.011 0.000 2.458 15 D HA 0.220 4.860 4.640 -0.000 0.000 0.243 15 D C 0.847 177.142 176.300 -0.009 0.000 1.146 15 D CA 0.424 54.421 54.000 -0.006 0.000 0.877 15 D CB 0.428 41.234 40.800 0.010 0.000 1.176 15 D HN 0.224 nan 8.370 nan 0.000 0.461 16 L N 3.395 124.611 121.223 -0.012 0.000 2.642 16 L HA 0.233 4.573 4.340 -0.000 0.000 0.233 16 L C 2.259 179.121 176.870 -0.013 0.000 1.077 16 L CA 0.240 55.073 54.840 -0.011 0.000 0.879 16 L CB -0.209 41.843 42.059 -0.013 0.000 1.151 16 L HN 0.532 nan 8.230 nan 0.000 0.495 17 A N 0.546 123.346 122.820 -0.034 0.000 1.892 17 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 17 A C 2.321 179.887 177.584 -0.031 0.000 1.188 17 A CA 2.724 54.710 52.037 -0.086 0.000 0.631 17 A CB -0.856 18.034 19.000 -0.183 0.000 0.822 17 A HN 0.330 nan 8.150 nan 0.000 0.447 18 T N -0.114 114.490 114.554 0.084 0.000 2.770 18 T HA -0.022 4.327 4.350 -0.000 0.000 0.263 18 T C -0.140 174.614 174.700 0.091 0.000 1.039 18 T CA 1.566 63.788 62.100 0.205 0.000 1.142 18 T CB -1.094 67.899 68.868 0.208 0.000 0.868 18 T HN 0.372 nan 8.240 nan 0.000 0.435 19 P HA -0.059 nan 4.420 nan 0.000 0.216 19 P C 1.577 178.903 177.300 0.044 0.000 1.153 19 P CA 1.082 64.200 63.100 0.030 0.000 0.858 19 P CB -0.078 31.627 31.700 0.009 0.000 0.789 20 M N -1.256 118.368 119.600 0.039 0.000 2.175 20 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 20 M C 2.110 178.442 176.300 0.053 0.000 1.063 20 M CA 1.547 56.872 55.300 0.042 0.000 1.119 20 M CB -2.007 30.606 32.600 0.021 0.000 1.377 20 M HN -0.118 nan 8.290 nan 0.000 0.415 21 A N -0.285 122.574 122.820 0.065 0.000 1.933 21 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 21 A C 2.473 180.114 177.584 0.095 0.000 1.175 21 A CA 1.693 53.789 52.037 0.099 0.000 0.628 21 A CB -0.903 18.215 19.000 0.197 0.000 0.814 21 A HN 0.286 nan 8.150 nan 0.000 0.444 22 V N -0.101 119.856 119.914 0.073 0.000 2.307 22 V HA -0.244 3.875 4.120 -0.000 0.000 0.245 22 V C 2.619 178.755 176.094 0.070 0.000 1.045 22 V CA 2.185 64.514 62.300 0.048 0.000 1.024 22 V CB -0.782 31.052 31.823 0.019 0.000 0.651 22 V HN 0.532 nan 8.190 nan 0.000 0.449 23 R N -0.469 120.075 120.500 0.074 0.000 2.096 23 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 23 R C 2.198 178.549 176.300 0.085 0.000 1.127 23 R CA 1.358 57.510 56.100 0.087 0.000 0.968 23 R CB -0.530 29.824 30.300 0.090 0.000 0.861 23 R HN 0.391 nan 8.270 nan 0.000 0.440 24 V N 0.810 120.771 119.914 0.078 0.000 2.358 24 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 24 V C 2.398 178.545 176.094 0.088 0.000 1.047 24 V CA 1.862 64.207 62.300 0.074 0.000 1.035 24 V CB -0.553 31.306 31.823 0.061 0.000 0.658 24 V HN 0.400 nan 8.190 nan 0.000 0.452 25 A N 0.078 122.964 122.820 0.110 0.000 1.902 25 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 25 A C 2.421 180.090 177.584 0.142 0.000 1.181 25 A CA 2.059 54.187 52.037 0.152 0.000 0.623 25 A CB -0.752 18.380 19.000 0.221 0.000 0.818 25 A HN 0.561 nan 8.150 nan 0.000 0.443 26 A N -1.004 121.889 122.820 0.120 0.000 1.933 26 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 26 A C 2.280 179.923 177.584 0.099 0.000 1.175 26 A CA 2.268 54.372 52.037 0.112 0.000 0.628 26 A CB -1.144 17.921 19.000 0.108 0.000 0.814 26 A HN 0.440 nan 8.150 nan 0.000 0.444 27 T N 0.240 114.848 114.554 0.090 0.000 2.857 27 T HA 0.044 4.394 4.350 -0.000 0.000 0.266 27 T C 1.537 176.283 174.700 0.077 0.000 1.048 27 T CA 1.076 63.222 62.100 0.076 0.000 1.139 27 T CB -0.235 68.673 68.868 0.067 0.000 0.874 27 T HN 0.348 nan 8.240 nan 0.000 0.455 28 L N 0.611 121.885 121.223 0.084 0.000 2.599 28 L HA 0.227 4.567 4.340 -0.000 0.000 0.230 28 L C 0.629 177.597 176.870 0.164 0.000 1.141 28 L CA 0.179 55.072 54.840 0.089 0.000 0.877 28 L CB -0.350 41.736 42.059 0.046 0.000 1.009 28 L HN 0.280 nan 8.230 nan 0.000 0.447 29 R N -2.049 118.537 120.500 0.145 0.000 3.627 29 R HA -0.174 4.166 4.340 -0.000 0.000 0.281 29 R C 1.189 177.631 176.300 0.236 0.000 1.140 29 R CA 0.356 56.537 56.100 0.135 0.000 0.761 29 R CB -2.689 27.637 30.300 0.043 0.000 1.181 29 R HN 0.150 nan 8.270 nan 0.000 0.472 30 V N 0.231 120.270 119.914 0.207 0.000 2.278 30 V HA -0.391 3.729 4.120 -0.000 0.000 0.251 30 V C 2.799 178.926 176.094 0.055 0.000 1.062 30 V CA 2.528 64.894 62.300 0.111 0.000 1.038 30 V CB -0.697 31.123 31.823 -0.006 0.000 0.646 30 V HN 0.715 nan 8.190 nan 0.000 0.447 31 A N -0.159 122.731 122.820 0.116 0.000 1.908 31 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 31 A C 1.997 179.618 177.584 0.062 0.000 1.181 31 A CA 2.158 54.269 52.037 0.122 0.000 0.627 31 A CB -0.668 18.468 19.000 0.226 0.000 0.818 31 A HN 0.571 nan 8.150 nan 0.000 0.445 32 D N -1.014 119.396 120.400 0.017 0.000 2.178 32 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 32 D C 1.719 177.955 176.300 -0.106 0.000 0.974 32 D CA 1.116 55.075 54.000 -0.069 0.000 0.841 32 D CB -0.484 40.221 40.800 -0.158 0.000 0.953 32 D HN 0.607 nan 8.370 nan 0.000 0.478 33 H N 0.165 119.215 119.070 -0.033 0.000 2.389 33 H HA 0.039 4.595 4.556 -0.000 0.000 0.299 33 H C 2.409 177.771 175.328 0.056 0.000 1.081 33 H CA 0.530 56.539 56.048 -0.066 0.000 1.345 33 H CB 0.240 29.904 29.762 -0.163 0.000 1.393 33 H HN 0.205 nan 8.280 nan 0.000 0.520 34 I N 0.647 121.290 120.570 0.122 0.000 2.163 34 I HA -0.188 3.982 4.170 -0.000 0.000 0.240 34 I C 2.703 178.872 176.117 0.088 0.000 1.081 34 I CA 0.952 62.300 61.300 0.080 0.000 1.353 34 I CB -0.340 37.645 38.000 -0.026 0.000 1.054 34 I HN 0.112 nan 8.210 nan 0.000 0.407 35 A N 0.569 123.431 122.820 0.070 0.000 2.178 35 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 35 A C 2.025 179.649 177.584 0.066 0.000 1.157 35 A CA 1.522 53.597 52.037 0.062 0.000 0.689 35 A CB -0.556 18.477 19.000 0.056 0.000 0.787 35 A HN 0.453 nan 8.150 nan 0.000 0.465 36 A N -1.986 120.895 122.820 0.103 0.000 2.507 36 A HA 0.481 4.801 4.320 -0.000 0.000 0.270 36 A C 1.545 179.220 177.584 0.152 0.000 1.318 36 A CA 0.902 53.016 52.037 0.127 0.000 0.924 36 A CB -0.806 18.276 19.000 0.136 0.000 1.061 36 A HN 1.708 nan 8.150 nan 0.000 0.516 37 G N -0.740 108.114 108.800 0.090 0.000 2.258 37 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.233 37 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.233 37 G C 0.017 174.855 174.900 -0.104 0.000 1.006 37 G CA 0.221 45.302 45.100 -0.032 0.000 0.620 37 G HN 0.698 nan 8.290 nan 0.000 0.511 38 H N 0.811 119.905 119.070 0.040 0.000 2.846 38 H HA 0.640 5.196 4.556 -0.000 0.000 0.278 38 H C 1.311 176.657 175.328 0.030 0.000 1.117 38 H CA 0.025 56.094 56.048 0.035 0.000 1.406 38 H CB 0.585 30.377 29.762 0.049 0.000 1.445 38 H HN 0.424 nan 8.280 nan 0.000 0.469 39 R N 1.621 122.182 120.500 0.101 0.000 2.508 39 R HA 0.186 4.525 4.340 -0.000 0.000 0.300 39 R C -0.198 176.203 176.300 0.169 0.000 0.970 39 R CA -0.059 56.107 56.100 0.111 0.000 1.102 39 R CB 0.855 31.193 30.300 0.064 0.000 1.246 39 R HN 0.317 nan 8.270 nan 0.000 0.539 40 T N 0.129 114.768 114.554 0.141 0.000 2.856 40 T HA 0.391 4.741 4.350 -0.000 0.000 0.283 40 T C 1.135 175.919 174.700 0.139 0.000 1.008 40 T CA -0.245 61.951 62.100 0.160 0.000 0.997 40 T CB 1.970 70.881 68.868 0.071 0.000 0.992 40 T HN 0.145 nan 8.240 nan 0.000 0.454 41 A N 2.865 125.800 122.820 0.191 0.000 1.909 41 A HA -0.167 4.153 4.320 -0.000 0.000 0.221 41 A C 2.491 180.075 177.584 0.000 0.000 1.223 41 A CA 2.654 54.731 52.037 0.066 0.000 0.658 41 A CB -1.231 17.832 19.000 0.105 0.000 0.831 41 A HN 0.992 nan 8.150 nan 0.000 0.462 42 A N -0.881 121.946 122.820 0.012 0.000 1.908 42 A HA -0.195 4.124 4.320 -0.000 0.000 0.218 42 A C 1.946 179.527 177.584 -0.005 0.000 1.181 42 A CA 1.925 53.954 52.037 -0.014 0.000 0.627 42 A CB -0.575 18.421 19.000 -0.007 0.000 0.818 42 A HN 0.684 nan 8.150 nan 0.000 0.445 43 E N -0.260 119.959 120.200 0.031 0.000 2.015 43 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 43 E C 1.937 178.566 176.600 0.047 0.000 0.991 43 E CA 1.392 57.842 56.400 0.084 0.000 0.802 43 E CB -0.327 29.444 29.700 0.118 0.000 0.759 43 E HN 0.676 nan 8.360 nan 0.000 0.447 44 I N 1.282 121.850 120.570 -0.002 0.000 2.151 44 I HA -0.332 3.837 4.170 -0.000 0.000 0.243 44 I C 2.571 178.533 176.117 -0.258 0.000 1.080 44 I CA 1.135 62.344 61.300 -0.151 0.000 1.339 44 I CB -0.494 37.409 38.000 -0.161 0.000 1.039 44 I HN 0.119 nan 8.210 nan 0.000 0.409 45 A N -0.059 122.665 122.820 -0.160 0.000 1.865 45 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 45 A C 2.523 180.018 177.584 -0.148 0.000 1.191 45 A CA 2.429 54.378 52.037 -0.147 0.000 0.623 45 A CB -0.997 17.941 19.000 -0.102 0.000 0.826 45 A HN 0.394 nan 8.150 nan 0.000 0.444 46 S N -0.658 114.978 115.700 -0.106 0.000 2.383 46 S HA -0.057 4.413 4.470 -0.000 0.000 0.229 46 S C 2.080 176.611 174.600 -0.115 0.000 1.030 46 S CA 1.535 59.689 58.200 -0.076 0.000 1.002 46 S CB -0.435 62.751 63.200 -0.024 0.000 0.829 46 S HN 0.829 nan 8.310 nan 0.000 0.467 47 A N 0.069 122.763 122.820 -0.211 0.000 2.066 47 A HA 0.422 4.742 4.320 -0.000 0.000 0.218 47 A C 2.010 179.358 177.584 -0.395 0.000 1.157 47 A CA 1.427 53.276 52.037 -0.314 0.000 0.670 47 A CB -0.542 18.119 19.000 -0.565 0.000 0.804 47 A HN 0.672 nan 8.150 nan 0.000 0.453 48 A N -2.173 120.360 122.820 -0.479 0.000 2.382 48 A HA 0.469 4.789 4.320 -0.000 0.000 0.228 48 A C 1.495 179.004 177.584 -0.125 0.000 1.217 48 A CA 0.963 52.808 52.037 -0.320 0.000 0.923 48 A CB -0.423 18.340 19.000 -0.395 0.000 0.979 48 A HN 1.808 nan 8.150 nan 0.000 0.515 49 G N -0.810 107.924 108.800 -0.109 0.000 2.256 49 G HA2 0.179 4.139 3.960 -0.000 0.000 0.272 49 G HA3 0.179 4.139 3.960 -0.000 0.000 0.272 49 G C 0.270 175.151 174.900 -0.031 0.000 1.076 49 G CA 0.486 45.556 45.100 -0.050 0.000 0.882 49 G HN 1.529 nan 8.290 nan 0.000 0.497 50 A N -0.817 121.976 122.820 -0.044 0.000 2.309 50 A HA 0.832 5.151 4.320 -0.000 0.000 0.317 50 A C -0.033 177.569 177.584 0.030 0.000 1.134 50 A CA -0.278 51.757 52.037 -0.003 0.000 0.866 50 A CB 0.871 19.856 19.000 -0.026 0.000 1.329 50 A HN 1.255 nan 8.150 nan 0.000 0.477 51 H N 0.413 119.465 119.070 -0.030 0.000 2.742 51 H HA 0.494 5.049 4.556 -0.000 0.000 0.302 51 H C 1.099 176.415 175.328 -0.021 0.000 1.069 51 H CA 0.376 56.411 56.048 -0.021 0.000 1.446 51 H CB 1.156 30.910 29.762 -0.013 0.000 1.462 51 H HN 0.709 nan 8.280 nan 0.000 0.499 52 A N 4.216 126.826 122.820 -0.350 0.000 1.869 52 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 52 A C 2.195 179.676 177.584 -0.172 0.000 1.203 52 A CA 2.127 54.023 52.037 -0.235 0.000 0.638 52 A CB -0.600 18.265 19.000 -0.225 0.000 0.831 52 A HN 0.908 nan 8.150 nan 0.000 0.450 53 D N -0.568 119.666 120.400 -0.277 0.000 2.104 53 D HA -0.097 4.542 4.640 -0.000 0.000 0.194 53 D C 2.377 178.757 176.300 0.134 0.000 0.994 53 D CA 1.745 55.741 54.000 -0.007 0.000 0.830 53 D CB -0.145 40.713 40.800 0.097 0.000 0.959 53 D HN 0.430 nan 8.370 nan 0.000 0.452 54 S N 0.945 116.836 115.700 0.319 0.000 2.356 54 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 54 S C 1.907 176.563 174.600 0.092 0.000 1.032 54 S CA 0.317 58.635 58.200 0.196 0.000 1.005 54 S CB -0.271 63.046 63.200 0.195 0.000 0.867 54 S HN 0.275 nan 8.310 nan 0.000 0.449 55 L N 2.171 123.429 121.223 0.059 0.000 2.046 55 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 55 L C 2.083 178.937 176.870 -0.026 0.000 1.077 55 L CA 2.239 57.076 54.840 -0.004 0.000 0.747 55 L CB -1.311 40.717 42.059 -0.051 0.000 0.896 55 L HN 0.250 nan 8.230 nan 0.000 0.432 56 D N -0.192 120.206 120.400 -0.003 0.000 2.123 56 D HA -0.232 4.408 4.640 -0.000 0.000 0.196 56 D C 2.253 178.600 176.300 0.078 0.000 0.992 56 D CA 1.466 55.488 54.000 0.036 0.000 0.833 56 D CB 0.082 40.933 40.800 0.084 0.000 0.954 56 D HN 0.277 nan 8.370 nan 0.000 0.455 57 R N -0.680 119.867 120.500 0.079 0.000 2.120 57 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 57 R C 2.232 178.596 176.300 0.107 0.000 1.123 57 R CA 0.826 56.982 56.100 0.094 0.000 0.975 57 R CB -0.335 30.011 30.300 0.076 0.000 0.866 57 R HN 0.250 nan 8.270 nan 0.000 0.446 58 L N 0.891 122.164 121.223 0.084 0.000 2.027 58 L HA -0.096 4.243 4.340 -0.000 0.000 0.206 58 L C 1.865 178.825 176.870 0.150 0.000 1.074 58 L CA 1.610 56.516 54.840 0.110 0.000 0.745 58 L CB -0.275 41.829 42.059 0.075 0.000 0.898 58 L HN 0.110 nan 8.230 nan 0.000 0.433 59 L N -0.789 120.472 121.223 0.063 0.000 2.046 59 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 59 L C 2.778 179.780 176.870 0.219 0.000 1.077 59 L CA 1.408 56.278 54.840 0.050 0.000 0.747 59 L CB -0.600 41.147 42.059 -0.521 0.000 0.896 59 L HN 0.244 nan 8.230 nan 0.000 0.432 60 R N -0.895 119.743 120.500 0.230 0.000 2.091 60 R HA -0.235 4.105 4.340 -0.000 0.000 0.238 60 R C 2.334 178.750 176.300 0.194 0.000 1.136 60 R CA 1.730 57.980 56.100 0.250 0.000 0.959 60 R CB -0.565 29.858 30.300 0.204 0.000 0.856 60 R HN 0.386 nan 8.270 nan 0.000 0.437 61 H N 0.537 119.671 119.070 0.108 0.000 2.423 61 H HA 0.010 4.566 4.556 -0.000 0.000 0.297 61 H C 1.728 177.094 175.328 0.064 0.000 1.075 61 H CA 1.304 57.395 56.048 0.072 0.000 1.342 61 H CB -0.004 29.788 29.762 0.051 0.000 1.395 61 H HN 0.082 nan 8.280 nan 0.000 0.530 62 L N 0.186 121.417 121.223 0.013 0.000 2.313 62 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 62 L C 2.480 179.311 176.870 -0.066 0.000 1.119 62 L CA 0.846 55.633 54.840 -0.089 0.000 0.809 62 L CB -0.147 41.908 42.059 -0.007 0.000 0.933 62 L HN 0.379 nan 8.230 nan 0.000 0.449 63 V N -2.360 117.622 119.914 0.113 0.000 2.591 63 V HA -0.046 4.074 4.120 -0.000 0.000 0.249 63 V C 2.459 178.571 176.094 0.031 0.000 1.053 63 V CA 1.431 63.819 62.300 0.145 0.000 1.068 63 V CB -0.459 31.512 31.823 0.248 0.000 0.689 63 V HN 0.246 nan 8.190 nan 0.000 0.462 64 A N 0.498 123.303 122.820 -0.025 0.000 1.933 64 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 64 A C 2.316 179.827 177.584 -0.122 0.000 1.175 64 A CA 2.141 54.139 52.037 -0.066 0.000 0.628 64 A CB -0.837 18.111 19.000 -0.086 0.000 0.814 64 A HN 0.558 nan 8.150 nan 0.000 0.444 65 V N -1.162 118.626 119.914 -0.210 0.000 2.667 65 V HA 0.163 4.283 4.120 -0.000 0.000 0.252 65 V C 1.822 177.833 176.094 -0.138 0.000 1.065 65 V CA 1.448 63.625 62.300 -0.205 0.000 1.083 65 V CB -0.952 30.715 31.823 -0.259 0.000 0.692 65 V HN 1.195 nan 8.190 nan 0.000 0.468 66 G N -0.723 108.020 108.800 -0.095 0.000 2.145 66 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.145 66 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.145 66 G C 0.391 175.306 174.900 0.024 0.000 1.017 66 G CA 0.215 45.311 45.100 -0.007 0.000 0.682 66 G HN 0.373 nan 8.290 nan 0.000 0.504 67 L N -1.399 119.731 121.223 -0.156 0.000 2.470 67 L HA 0.498 4.838 4.340 -0.000 0.000 0.219 67 L C 0.776 177.471 176.870 -0.292 0.000 1.071 67 L CA 0.459 55.100 54.840 -0.331 0.000 0.850 67 L CB 0.017 41.633 42.059 -0.738 0.000 1.040 67 L HN 0.146 nan 8.230 nan 0.000 0.475 68 F N -0.451 119.557 119.950 0.097 0.000 2.654 68 F HA 0.575 5.102 4.527 -0.001 0.000 0.334 68 F C 0.409 176.289 175.800 0.132 0.000 1.078 68 F CA -1.441 56.634 58.000 0.125 0.000 0.986 68 F CB 1.344 40.440 39.000 0.160 0.000 1.362 68 F HN -0.269 nan 8.300 nan 0.000 0.498 69 T N -1.119 113.660 114.554 0.376 0.000 2.896 69 T HA 0.775 5.125 4.350 -0.000 0.000 0.297 69 T C -1.181 173.592 174.700 0.121 0.000 1.108 69 T CA -0.982 61.236 62.100 0.196 0.000 1.004 69 T CB 2.732 71.671 68.868 0.119 0.000 1.159 69 T HN 0.742 nan 8.240 nan 0.000 0.499 70 R N 1.248 121.735 120.500 -0.021 0.000 2.535 70 R HA 0.424 4.764 4.340 -0.000 0.000 0.274 70 R C -1.594 174.608 176.300 -0.163 0.000 1.090 70 R CA -0.537 55.412 56.100 -0.252 0.000 0.930 70 R CB 1.627 31.668 30.300 -0.432 0.000 1.223 70 R HN 1.018 nan 8.270 nan 0.000 0.441 71 D N 1.818 122.114 120.400 -0.173 0.000 2.388 71 D HA 0.230 4.870 4.640 -0.000 0.000 0.254 71 D C 1.280 177.516 176.300 -0.106 0.000 1.111 71 D CA -0.363 53.574 54.000 -0.104 0.000 0.993 71 D CB 0.747 41.500 40.800 -0.077 0.000 1.118 71 D HN 0.488 nan 8.370 nan 0.000 0.502 72 G N -0.728 108.032 108.800 -0.066 0.000 2.507 72 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.221 72 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.221 72 G C 1.251 176.116 174.900 -0.060 0.000 1.119 72 G CA 0.738 45.806 45.100 -0.054 0.000 0.751 72 G HN 0.423 nan 8.290 nan 0.000 0.574 73 Q N -0.627 119.133 119.800 -0.067 0.000 2.403 73 Q HA 0.328 4.668 4.340 -0.000 0.000 0.203 73 Q C 1.697 177.646 176.000 -0.084 0.000 0.932 73 Q CA 0.569 56.335 55.803 -0.061 0.000 0.945 73 Q CB 0.048 28.758 28.738 -0.048 0.000 1.045 73 Q HN 0.536 nan 8.270 nan 0.000 0.511 74 G N -0.794 107.919 108.800 -0.144 0.000 2.136 74 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.242 74 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.242 74 G C -0.167 174.554 174.900 -0.298 0.000 0.989 74 G CA 0.193 45.157 45.100 -0.226 0.000 0.682 74 G HN 0.197 nan 8.290 nan 0.000 0.522 75 V N 1.021 120.795 119.914 -0.233 0.000 2.455 75 V HA 0.458 4.578 4.120 -0.000 0.000 0.273 75 V C 0.498 176.447 176.094 -0.242 0.000 1.045 75 V CA -0.538 61.670 62.300 -0.154 0.000 0.976 75 V CB 0.414 32.192 31.823 -0.076 0.000 0.993 75 V HN 0.254 nan 8.190 nan 0.000 0.475 76 Y N 2.644 122.927 120.300 -0.028 0.000 2.320 76 Y HA 0.676 5.226 4.550 -0.000 0.000 0.324 76 Y C 0.853 176.731 175.900 -0.037 0.000 1.190 76 Y CA 0.180 58.254 58.100 -0.044 0.000 1.215 76 Y CB 1.859 40.242 38.460 -0.128 0.000 1.221 76 Y HN 0.724 nan 8.280 nan 0.000 0.486 77 G N 2.137 111.036 108.800 0.164 0.000 2.706 77 G HA2 0.547 4.507 3.960 -0.000 0.000 0.297 77 G HA3 0.547 4.507 3.960 -0.000 0.000 0.297 77 G C -1.693 173.330 174.900 0.204 0.000 1.403 77 G CA -0.799 44.376 45.100 0.124 0.000 0.954 77 G HN 0.320 nan 8.290 nan 0.000 0.500 78 L N 0.614 121.952 121.223 0.191 0.000 2.470 78 L HA 0.707 5.046 4.340 -0.000 0.000 0.243 78 L C 1.505 178.476 176.870 0.168 0.000 1.227 78 L CA -0.118 54.889 54.840 0.279 0.000 0.824 78 L CB 0.863 43.045 42.059 0.206 0.000 1.175 78 L HN 0.855 nan 8.230 nan 0.000 0.503 79 T N -4.465 110.153 114.554 0.107 0.000 2.838 79 T HA 0.267 4.616 4.350 -0.000 0.000 0.292 79 T C 0.637 175.229 174.700 -0.180 0.000 1.113 79 T CA -0.619 61.465 62.100 -0.028 0.000 1.008 79 T CB 1.008 69.881 68.868 0.008 0.000 1.259 79 T HN 0.561 nan 8.240 nan 0.000 0.520 80 E N -0.278 119.655 120.200 -0.445 0.000 2.233 80 E HA -0.141 4.208 4.350 -0.000 0.000 0.199 80 E C 1.000 177.261 176.600 -0.566 0.000 1.004 80 E CA 1.661 57.704 56.400 -0.596 0.000 0.819 80 E CB -0.180 28.970 29.700 -0.918 0.000 0.738 80 E HN 0.715 nan 8.360 nan 0.000 0.478 81 F N -1.023 118.918 119.950 -0.015 0.000 2.437 81 F HA 0.239 4.766 4.527 -0.000 0.000 0.288 81 F C 2.445 178.194 175.800 -0.085 0.000 1.085 81 F CA 0.602 58.570 58.000 -0.053 0.000 1.430 81 F CB -0.904 38.057 39.000 -0.064 0.000 1.120 81 F HN -0.032 nan 8.300 nan 0.000 0.556 82 G N -0.378 108.461 108.800 0.064 0.000 2.625 82 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 82 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 82 G C 1.431 176.360 174.900 0.048 0.000 1.132 82 G CA 0.548 45.651 45.100 0.006 0.000 0.782 82 G HN 0.250 nan 8.290 nan 0.000 0.538 83 E N 0.741 120.943 120.200 0.004 0.000 2.150 83 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 83 E C 2.496 179.016 176.600 -0.133 0.000 0.985 83 E CA 0.735 57.139 56.400 0.007 0.000 0.814 83 E CB -0.134 29.585 29.700 0.032 0.000 0.752 83 E HN 0.553 nan 8.360 nan 0.000 0.466 84 Q N -0.476 119.117 119.800 -0.344 0.000 2.541 84 Q HA -0.027 4.312 4.340 -0.000 0.000 0.215 84 Q C 1.538 177.412 176.000 -0.209 0.000 0.977 84 Q CA 0.318 55.731 55.803 -0.651 0.000 0.934 84 Q CB 0.116 28.578 28.738 -0.460 0.000 0.988 84 Q HN 0.332 nan 8.270 nan 0.000 0.521 85 L N -0.065 121.127 121.223 -0.052 0.000 2.477 85 L HA 0.070 4.410 4.340 -0.000 0.000 0.220 85 L C 0.646 177.566 176.870 0.083 0.000 1.106 85 L CA 0.070 54.938 54.840 0.047 0.000 0.851 85 L CB 0.279 42.402 42.059 0.108 0.000 0.994 85 L HN 0.077 nan 8.230 nan 0.000 0.462 86 R N 0.417 120.966 120.500 0.083 0.000 2.543 86 R HA -0.054 4.285 4.340 -0.000 0.000 0.277 86 R C 0.848 177.210 176.300 0.104 0.000 1.074 86 R CA -0.228 55.929 56.100 0.094 0.000 1.076 86 R CB 0.654 31.017 30.300 0.105 0.000 0.993 86 R HN 0.007 nan 8.270 nan 0.000 0.459 87 D N 2.012 122.453 120.400 0.068 0.000 2.144 87 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 87 D C 0.862 177.203 176.300 0.068 0.000 0.978 87 D CA 1.559 55.595 54.000 0.060 0.000 0.833 87 D CB 0.149 40.962 40.800 0.021 0.000 0.961 87 D HN 0.633 nan 8.370 nan 0.000 0.470 88 D N -1.026 119.411 120.400 0.061 0.000 2.378 88 D HA -0.143 4.497 4.640 -0.000 0.000 0.222 88 D C 0.853 177.194 176.300 0.070 0.000 0.980 88 D CA 0.225 54.254 54.000 0.048 0.000 0.907 88 D CB -0.943 39.876 40.800 0.032 0.000 0.899 88 D HN 0.303 nan 8.370 nan 0.000 0.527 89 H N -0.371 118.715 119.070 0.027 0.000 2.871 89 H HA 0.378 4.934 4.556 -0.000 0.000 0.355 89 H C 1.480 176.830 175.328 0.036 0.000 1.092 89 H CA 0.492 56.563 56.048 0.037 0.000 1.420 89 H CB 1.250 31.044 29.762 0.054 0.000 1.400 89 H HN -0.012 nan 8.280 nan 0.000 0.604 90 A N 4.725 127.223 122.820 -0.537 0.000 1.883 90 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 90 A C 2.468 180.032 177.584 -0.034 0.000 1.186 90 A CA 1.868 53.746 52.037 -0.266 0.000 0.624 90 A CB -1.423 17.394 19.000 -0.306 0.000 0.822 90 A HN 0.887 nan 8.150 nan 0.000 0.444 91 A N -1.530 121.362 122.820 0.120 0.000 2.076 91 A HA 0.254 4.574 4.320 -0.000 0.000 0.220 91 A C 2.149 179.919 177.584 0.310 0.000 1.160 91 A CA 1.696 53.909 52.037 0.293 0.000 0.653 91 A CB -1.366 17.873 19.000 0.399 0.000 0.801 91 A HN 2.084 nan 8.150 nan 0.000 0.455 92 G N -0.925 108.023 108.800 0.247 0.000 2.225 92 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.267 92 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.267 92 G C 0.798 175.896 174.900 0.329 0.000 1.024 92 G CA 1.120 46.311 45.100 0.151 0.000 0.784 92 G HN 0.618 nan 8.290 nan 0.000 0.507 93 K N -0.637 119.951 120.400 0.312 0.000 2.062 93 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 93 K C 2.578 179.365 176.600 0.311 0.000 1.051 93 K CA 0.972 57.442 56.287 0.305 0.000 0.941 93 K CB -0.142 32.451 32.500 0.154 0.000 0.719 93 K HN 0.338 nan 8.250 nan 0.000 0.440 94 R N 2.206 122.830 120.500 0.206 0.000 2.134 94 R HA -0.250 4.090 4.340 -0.000 0.000 0.248 94 R C 2.096 178.501 176.300 0.175 0.000 1.143 94 R CA 2.424 58.623 56.100 0.164 0.000 0.957 94 R CB -0.225 30.144 30.300 0.115 0.000 0.867 94 R HN 0.250 nan 8.270 nan 0.000 0.441 95 K N -1.240 119.252 120.400 0.153 0.000 2.211 95 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 95 K C 1.692 178.320 176.600 0.046 0.000 1.047 95 K CA 1.738 58.058 56.287 0.055 0.000 0.935 95 K CB -0.430 32.044 32.500 -0.044 0.000 0.728 95 K HN 0.295 nan 8.250 nan 0.000 0.452 96 W N 1.420 122.788 121.300 0.114 0.000 2.519 96 W HA 0.136 4.796 4.660 -0.000 0.000 0.266 96 W C 1.688 178.279 176.519 0.120 0.000 1.253 96 W CA 0.363 57.785 57.345 0.127 0.000 1.274 96 W CB 0.041 29.574 29.460 0.122 0.000 1.114 96 W HN -0.046 nan 8.180 nan 0.000 0.596 97 L N -0.824 120.580 121.223 0.301 0.000 2.416 97 L HA 0.053 4.392 4.340 -0.000 0.000 0.216 97 L C 0.809 177.773 176.870 0.157 0.000 1.098 97 L CA 0.120 55.088 54.840 0.212 0.000 0.840 97 L CB -0.621 41.539 42.059 0.169 0.000 0.981 97 L HN -0.256 nan 8.230 nan 0.000 0.462 98 D N 1.345 121.823 120.400 0.130 0.000 2.502 98 D HA -0.084 4.556 4.640 -0.000 0.000 0.249 98 D C 1.081 177.434 176.300 0.089 0.000 1.188 98 D CA 0.407 54.462 54.000 0.092 0.000 0.890 98 D CB 1.066 41.904 40.800 0.063 0.000 1.140 98 D HN 0.113 nan 8.370 nan 0.000 0.505 99 M N 3.199 122.849 119.600 0.083 0.000 2.623 99 M HA -0.155 4.324 4.480 -0.000 0.000 0.258 99 M C 1.227 177.559 176.300 0.054 0.000 1.067 99 M CA 0.674 56.021 55.300 0.079 0.000 1.068 99 M CB 0.037 32.681 32.600 0.072 0.000 1.409 99 M HN 0.312 nan 8.290 nan 0.000 0.504 100 N N -0.268 118.457 118.700 0.042 0.000 2.402 100 N HA 0.006 4.746 4.740 -0.000 0.000 0.174 100 N C 0.869 176.387 175.510 0.012 0.000 1.027 100 N CA 0.487 53.548 53.050 0.019 0.000 0.891 100 N CB -0.003 38.492 38.487 0.015 0.000 1.016 100 N HN 0.317 nan 8.380 nan 0.000 0.439 101 S N 0.395 116.110 115.700 0.025 0.000 2.596 101 S HA 0.364 4.834 4.470 -0.000 0.000 0.260 101 S C 1.431 176.066 174.600 0.059 0.000 1.336 101 S CA -0.105 58.107 58.200 0.020 0.000 0.993 101 S CB 1.398 64.591 63.200 -0.013 0.000 0.923 101 S HN 0.231 nan 8.310 nan 0.000 0.567 102 A N 0.954 123.835 122.820 0.101 0.000 1.969 102 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 102 A C 2.005 179.782 177.584 0.322 0.000 1.169 102 A CA 1.381 53.521 52.037 0.173 0.000 0.635 102 A CB -0.959 18.185 19.000 0.239 0.000 0.810 102 A HN 0.796 nan 8.150 nan 0.000 0.445 103 V N -0.757 119.348 119.914 0.318 0.000 3.052 103 V HA -0.002 4.117 4.120 -0.000 0.000 0.254 103 V C 2.565 178.866 176.094 0.345 0.000 1.100 103 V CA 1.340 63.887 62.300 0.411 0.000 1.112 103 V CB -0.498 31.569 31.823 0.406 0.000 0.738 103 V HN 0.584 nan 8.190 nan 0.000 0.469 104 G N -0.175 108.766 108.800 0.235 0.000 2.464 104 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 104 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 104 G C 1.688 176.695 174.900 0.178 0.000 1.138 104 G CA 0.528 45.751 45.100 0.205 0.000 0.793 104 G HN 0.414 nan 8.290 nan 0.000 0.539 105 R N 0.310 120.899 120.500 0.148 0.000 2.080 105 R HA 0.078 4.418 4.340 -0.000 0.000 0.222 105 R C 2.630 179.017 176.300 0.144 0.000 1.107 105 R CA 1.267 57.427 56.100 0.099 0.000 0.980 105 R CB -0.679 29.599 30.300 -0.036 0.000 0.879 105 R HN 0.222 nan 8.270 nan 0.000 0.439 106 G N 0.931 109.832 108.800 0.168 0.000 2.418 106 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 106 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 106 G C 0.828 175.694 174.900 -0.057 0.000 1.158 106 G CA 0.993 46.078 45.100 -0.026 0.000 0.771 106 G HN 0.333 nan 8.290 nan 0.000 0.545 107 D N 0.471 121.024 120.400 0.255 0.000 2.182 107 D HA -0.067 4.572 4.640 -0.000 0.000 0.201 107 D C 2.482 178.964 176.300 0.303 0.000 0.986 107 D CA 0.352 54.580 54.000 0.381 0.000 0.847 107 D CB -0.232 40.827 40.800 0.432 0.000 0.942 107 D HN 0.298 nan 8.370 nan 0.000 0.467 108 L N -0.095 121.246 121.223 0.197 0.000 2.450 108 L HA -0.026 4.314 4.340 -0.000 0.000 0.224 108 L C 2.274 179.160 176.870 0.027 0.000 1.149 108 L CA 0.743 55.660 54.840 0.129 0.000 0.816 108 L CB -0.554 41.570 42.059 0.108 0.000 0.932 108 L HN 0.084 nan 8.230 nan 0.000 0.449 109 G N -0.640 108.140 108.800 -0.033 0.000 2.509 109 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 109 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 109 G C 1.338 176.154 174.900 -0.140 0.000 1.124 109 G CA -0.009 44.980 45.100 -0.185 0.000 0.776 109 G HN 0.267 nan 8.290 nan 0.000 0.547 110 F N 1.049 120.995 119.950 -0.007 0.000 2.333 110 F HA -0.121 4.406 4.527 0.000 0.000 0.300 110 F C 2.728 178.516 175.800 -0.019 0.000 1.083 110 F CA 1.018 59.021 58.000 0.006 0.000 1.395 110 F CB 0.039 39.056 39.000 0.028 0.000 1.056 110 F HN 0.105 nan 8.300 nan 0.000 0.529 111 V N -2.689 117.296 119.914 0.118 0.000 3.186 111 V HA -0.138 3.981 4.120 -0.000 0.000 0.270 111 V C 1.014 177.114 176.094 0.010 0.000 1.149 111 V CA 1.465 63.792 62.300 0.045 0.000 1.160 111 V CB -0.536 31.278 31.823 -0.014 0.000 0.758 111 V HN 0.221 nan 8.190 nan 0.000 0.516 112 E N -0.389 119.809 120.200 -0.004 0.000 2.558 112 E HA 0.322 4.671 4.350 -0.000 0.000 0.205 112 E C 1.589 178.219 176.600 0.051 0.000 1.006 112 E CA -0.228 56.168 56.400 -0.007 0.000 0.961 112 E CB 0.715 30.369 29.700 -0.075 0.000 1.044 112 E HN 0.547 nan 8.360 nan 0.000 0.465 113 L N 0.869 122.142 121.223 0.083 0.000 2.051 113 L HA -0.286 4.054 4.340 -0.000 0.000 0.214 113 L C 2.169 179.084 176.870 0.075 0.000 1.076 113 L CA 1.742 56.647 54.840 0.108 0.000 0.758 113 L CB -0.276 41.897 42.059 0.190 0.000 0.890 113 L HN 0.157 nan 8.230 nan 0.000 0.433 114 A N -0.685 122.175 122.820 0.067 0.000 1.927 114 A HA -0.374 3.946 4.320 -0.000 0.000 0.220 114 A C 2.005 179.617 177.584 0.047 0.000 1.185 114 A CA 2.285 54.351 52.037 0.048 0.000 0.639 114 A CB -1.071 17.955 19.000 0.044 0.000 0.820 114 A HN 0.724 nan 8.150 nan 0.000 0.451 115 H N -0.116 118.949 119.070 -0.009 0.000 2.387 115 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 115 H C 2.196 177.521 175.328 -0.006 0.000 1.099 115 H CA 2.038 58.078 56.048 -0.014 0.000 1.315 115 H CB -0.169 29.576 29.762 -0.029 0.000 1.380 115 H HN 0.396 nan 8.280 nan 0.000 0.513 116 S N -0.224 115.416 115.700 -0.101 0.000 2.387 116 S HA -0.038 4.432 4.470 -0.000 0.000 0.226 116 S C 2.027 176.564 174.600 -0.104 0.000 1.026 116 S CA 0.934 59.055 58.200 -0.132 0.000 0.972 116 S CB -0.009 63.174 63.200 -0.027 0.000 0.814 116 S HN 0.364 nan 8.310 nan 0.000 0.477 117 I N 1.611 122.150 120.570 -0.051 0.000 2.394 117 I HA -0.023 4.147 4.170 -0.000 0.000 0.251 117 I C 2.265 178.352 176.117 -0.051 0.000 1.136 117 I CA 1.209 62.492 61.300 -0.030 0.000 1.425 117 I CB -1.005 36.995 38.000 0.000 0.000 1.079 117 I HN 0.221 nan 8.210 nan 0.000 0.425 118 R N 0.285 120.737 120.500 -0.080 0.000 2.075 118 R HA -0.062 4.278 4.340 -0.000 0.000 0.226 118 R C 2.109 178.345 176.300 -0.107 0.000 1.114 118 R CA 1.832 57.886 56.100 -0.076 0.000 0.972 118 R CB -0.158 30.107 30.300 -0.058 0.000 0.869 118 R HN 0.488 nan 8.270 nan 0.000 0.437 119 T N -4.375 110.055 114.554 -0.206 0.000 3.001 119 T HA 0.223 4.573 4.350 -0.000 0.000 0.251 119 T C 1.386 176.008 174.700 -0.130 0.000 1.040 119 T CA 0.506 62.492 62.100 -0.190 0.000 0.985 119 T CB 1.100 69.778 68.868 -0.318 0.000 1.011 119 T HN 0.346 nan 8.240 nan 0.000 0.509 120 G N 1.112 109.840 108.800 -0.119 0.000 2.212 120 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.266 120 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.266 120 G C 0.069 174.946 174.900 -0.039 0.000 0.978 120 G CA 0.211 45.280 45.100 -0.052 0.000 0.632 120 G HN 0.649 nan 8.290 nan 0.000 0.537 121 Q N 0.881 120.626 119.800 -0.091 0.000 2.260 121 Q HA 0.437 4.777 4.340 -0.000 0.000 0.238 121 Q C -2.112 173.906 176.000 0.030 0.000 0.948 121 Q CA -1.711 54.090 55.803 -0.004 0.000 0.895 121 Q CB 1.244 30.017 28.738 0.058 0.000 1.218 121 Q HN 0.334 nan 8.270 nan 0.000 0.470 122 P HA 0.053 nan 4.420 nan 0.000 0.271 122 P C -0.628 176.743 177.300 0.117 0.000 1.218 122 P CA 0.200 63.333 63.100 0.055 0.000 0.780 122 P CB 0.821 32.539 31.700 0.030 0.000 0.901 123 A N 2.585 125.427 122.820 0.037 0.000 1.984 123 A HA -0.119 4.201 4.320 -0.000 0.000 0.214 123 A C 2.093 179.639 177.584 -0.062 0.000 1.173 123 A CA 0.483 52.533 52.037 0.021 0.000 0.673 123 A CB -1.550 17.421 19.000 -0.048 0.000 0.830 123 A HN 0.573 nan 8.150 nan 0.000 0.453 124 Y N 1.691 121.865 120.300 -0.211 0.000 2.096 124 Y HA -0.234 4.315 4.550 -0.001 0.000 0.278 124 Y C -0.736 175.121 175.900 -0.072 0.000 1.192 124 Y CA 3.032 61.022 58.100 -0.184 0.000 1.143 124 Y CB -1.104 37.178 38.460 -0.296 0.000 0.963 124 Y HN 0.292 nan 8.280 nan 0.000 0.505 125 P HA -0.198 nan 4.420 nan 0.000 0.215 125 P C 1.920 179.147 177.300 -0.122 0.000 1.153 125 P CA 2.198 65.319 63.100 0.034 0.000 0.853 125 P CB -0.092 31.643 31.700 0.060 0.000 0.788 126 V N 0.171 119.971 119.914 -0.189 0.000 2.324 126 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 126 V C 2.650 178.564 176.094 -0.301 0.000 1.060 126 V CA 2.204 64.341 62.300 -0.272 0.000 1.042 126 V CB -1.035 30.591 31.823 -0.329 0.000 0.650 126 V HN 0.110 nan 8.190 nan 0.000 0.450 127 R N -1.183 119.066 120.500 -0.420 0.000 2.100 127 R HA -0.066 4.274 4.340 -0.000 0.000 0.220 127 R C 1.789 177.613 176.300 -0.792 0.000 1.091 127 R CA 1.348 57.049 56.100 -0.665 0.000 0.986 127 R CB -0.029 29.699 30.300 -0.954 0.000 0.888 127 R HN 0.588 nan 8.270 nan 0.000 0.444 128 Y N -1.027 119.050 120.300 -0.371 0.000 2.531 128 Y HA 0.335 4.885 4.550 -0.001 0.000 0.249 128 Y C 1.182 176.984 175.900 -0.163 0.000 1.168 128 Y CA 0.028 57.940 58.100 -0.313 0.000 1.226 128 Y CB 1.387 39.538 38.460 -0.515 0.000 1.177 128 Y HN 0.326 nan 8.280 nan 0.000 0.527 129 G N 1.047 109.822 108.800 -0.042 0.000 2.180 129 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.263 129 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.263 129 G C 0.266 175.189 174.900 0.038 0.000 0.989 129 G CA 1.095 46.188 45.100 -0.012 0.000 0.692 129 G HN 0.476 nan 8.290 nan 0.000 0.526 130 T N -1.460 113.150 114.554 0.092 0.000 2.775 130 T HA 0.606 4.955 4.350 -0.000 0.000 0.320 130 T C 0.402 175.229 174.700 0.212 0.000 1.597 130 T CA 0.901 63.074 62.100 0.121 0.000 1.022 130 T CB 0.834 69.760 68.868 0.097 0.000 1.485 130 T HN 1.507 nan 8.240 nan 0.000 0.494 131 S N 1.817 117.617 115.700 0.167 0.000 2.596 131 S HA 0.339 4.808 4.470 -0.000 0.000 0.260 131 S C 1.153 175.775 174.600 0.036 0.000 1.336 131 S CA -0.397 57.891 58.200 0.148 0.000 0.993 131 S CB 0.148 63.433 63.200 0.141 0.000 0.923 131 S HN 0.656 nan 8.310 nan 0.000 0.567 132 F N 0.497 120.132 119.950 -0.525 0.000 2.075 132 F HA 0.026 4.553 4.527 -0.000 0.000 0.297 132 F C 1.823 177.322 175.800 -0.501 0.000 1.113 132 F CA 1.172 58.560 58.000 -1.020 0.000 1.218 132 F CB -0.557 37.596 39.000 -1.411 0.000 0.984 132 F HN 0.727 nan 8.300 nan 0.000 0.472 133 W N 0.557 121.841 121.300 -0.025 0.000 2.358 133 W HA -0.125 4.534 4.660 -0.001 0.000 0.303 133 W C 2.477 178.945 176.519 -0.084 0.000 1.208 133 W CA 0.931 58.239 57.345 -0.060 0.000 1.274 133 W CB -0.597 28.930 29.460 0.112 0.000 1.138 133 W HN 0.017 nan 8.180 nan 0.000 0.515 134 E N 0.340 120.654 120.200 0.190 0.000 2.085 134 E HA -0.255 4.094 4.350 -0.000 0.000 0.194 134 E C 1.651 178.266 176.600 0.025 0.000 0.994 134 E CA 1.708 58.174 56.400 0.110 0.000 0.801 134 E CB -0.221 29.544 29.700 0.109 0.000 0.743 134 E HN 0.105 nan 8.360 nan 0.000 0.453 135 D N 0.156 120.531 120.400 -0.042 0.000 2.097 135 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 135 D C 1.916 178.121 176.300 -0.158 0.000 0.989 135 D CA 0.849 54.789 54.000 -0.100 0.000 0.827 135 D CB -0.046 40.682 40.800 -0.119 0.000 0.966 135 D HN 0.107 nan 8.370 nan 0.000 0.456 136 L N -0.279 120.793 121.223 -0.252 0.000 2.083 136 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 136 L C 2.439 179.274 176.870 -0.058 0.000 1.083 136 L CA 1.241 55.963 54.840 -0.196 0.000 0.752 136 L CB -0.660 41.262 42.059 -0.229 0.000 0.899 136 L HN 0.112 nan 8.230 nan 0.000 0.433 137 G N -0.754 108.041 108.800 -0.009 0.000 2.509 137 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 137 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 137 G C 1.518 176.415 174.900 -0.004 0.000 1.124 137 G CA 0.911 46.017 45.100 0.010 0.000 0.776 137 G HN 0.495 nan 8.290 nan 0.000 0.547 138 S N -1.434 114.256 115.700 -0.016 0.000 2.578 138 S HA 0.212 4.682 4.470 -0.000 0.000 0.231 138 S C -0.053 174.532 174.600 -0.026 0.000 0.994 138 S CA -0.148 58.043 58.200 -0.015 0.000 0.956 138 S CB 0.582 63.777 63.200 -0.009 0.000 0.870 138 S HN 0.069 nan 8.310 nan 0.000 0.494 139 D N 1.201 121.578 120.400 -0.039 0.000 2.328 139 D HA 0.370 5.009 4.640 -0.000 0.000 0.243 139 D C -2.515 173.763 176.300 -0.038 0.000 1.324 139 D CA -1.764 52.211 54.000 -0.043 0.000 0.966 139 D CB 1.931 42.693 40.800 -0.063 0.000 1.324 139 D HN -0.089 nan 8.370 nan 0.000 0.549 140 P HA -0.134 nan 4.420 nan 0.000 0.216 140 P C 1.641 178.933 177.300 -0.014 0.000 1.150 140 P CA 0.572 63.662 63.100 -0.015 0.000 0.843 140 P CB 0.605 32.297 31.700 -0.012 0.000 0.787 141 V N -0.643 119.260 119.914 -0.019 0.000 2.427 141 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 141 V C 2.382 178.466 176.094 -0.017 0.000 1.051 141 V CA 1.411 63.701 62.300 -0.017 0.000 1.048 141 V CB -1.030 30.782 31.823 -0.018 0.000 0.666 141 V HN 0.131 nan 8.190 nan 0.000 0.456 142 L N -0.318 120.885 121.223 -0.033 0.000 2.017 142 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 142 L C 2.693 179.554 176.870 -0.014 0.000 1.073 142 L CA 2.093 56.905 54.840 -0.047 0.000 0.745 142 L CB -0.415 41.581 42.059 -0.104 0.000 0.894 142 L HN 0.438 nan 8.230 nan 0.000 0.432 143 S N -0.664 115.029 115.700 -0.012 0.000 2.399 143 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 143 S C 2.023 176.681 174.600 0.097 0.000 1.022 143 S CA 1.228 59.461 58.200 0.056 0.000 0.983 143 S CB -0.047 63.176 63.200 0.037 0.000 0.803 143 S HN 0.530 nan 8.310 nan 0.000 0.480 144 A N 1.287 124.131 122.820 0.041 0.000 1.877 144 A HA -0.066 4.253 4.320 -0.000 0.000 0.216 144 A C 2.447 180.042 177.584 0.019 0.000 1.186 144 A CA 2.210 54.260 52.037 0.022 0.000 0.620 144 A CB -1.326 17.673 19.000 -0.002 0.000 0.822 144 A HN 0.807 nan 8.150 nan 0.000 0.443 145 S N -1.121 114.591 115.700 0.021 0.000 2.383 145 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 145 S C 1.843 176.452 174.600 0.015 0.000 1.030 145 S CA 1.573 59.771 58.200 -0.003 0.000 1.002 145 S CB -0.742 62.457 63.200 -0.002 0.000 0.829 145 S HN 0.489 nan 8.310 nan 0.000 0.467 146 F N 3.349 123.276 119.950 -0.038 0.000 2.134 146 F HA -0.048 4.479 4.527 0.000 0.000 0.299 146 F C 1.833 177.645 175.800 0.020 0.000 1.097 146 F CA 1.674 59.683 58.000 0.014 0.000 1.264 146 F CB -0.662 38.402 39.000 0.106 0.000 1.001 146 F HN 0.148 nan 8.300 nan 0.000 0.479 147 D N -0.584 119.789 120.400 -0.045 0.000 2.123 147 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 147 D C 2.262 178.472 176.300 -0.150 0.000 0.992 147 D CA 2.021 55.955 54.000 -0.111 0.000 0.833 147 D CB -0.764 40.019 40.800 -0.027 0.000 0.954 147 D HN 0.283 nan 8.370 nan 0.000 0.455 148 T N 1.321 115.801 114.554 -0.123 0.000 2.746 148 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 148 T C 2.283 176.902 174.700 -0.135 0.000 1.039 148 T CA 0.593 62.627 62.100 -0.110 0.000 1.142 148 T CB -0.252 68.555 68.868 -0.101 0.000 0.866 148 T HN 0.121 nan 8.240 nan 0.000 0.444 149 L N 0.172 121.223 121.223 -0.286 0.000 2.056 149 L HA -0.048 4.291 4.340 -0.000 0.000 0.207 149 L C 2.747 179.517 176.870 -0.167 0.000 1.078 149 L CA 0.841 55.408 54.840 -0.454 0.000 0.749 149 L CB -0.538 40.959 42.059 -0.936 0.000 0.901 149 L HN 0.220 nan 8.230 nan 0.000 0.433 150 M N -0.769 118.649 119.600 -0.303 0.000 2.175 150 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 150 M C 2.607 178.975 176.300 0.113 0.000 1.063 150 M CA 1.424 56.647 55.300 -0.129 0.000 1.119 150 M CB -1.284 31.118 32.600 -0.331 0.000 1.377 150 M HN 0.227 nan 8.290 nan 0.000 0.415 151 S N -0.456 115.249 115.700 0.009 0.000 2.359 151 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 151 S C 2.011 176.684 174.600 0.122 0.000 1.035 151 S CA 1.855 60.073 58.200 0.029 0.000 1.018 151 S CB -0.364 62.831 63.200 -0.009 0.000 0.876 151 S HN 0.585 nan 8.310 nan 0.000 0.448 152 H N 1.169 120.286 119.070 0.078 0.000 2.421 152 H HA -0.094 4.461 4.556 -0.000 0.000 0.298 152 H C 2.061 177.522 175.328 0.222 0.000 1.087 152 H CA 2.300 58.444 56.048 0.161 0.000 1.330 152 H CB -0.853 29.055 29.762 0.244 0.000 1.388 152 H HN 0.739 nan 8.280 nan 0.000 0.526 153 H N 0.414 119.552 119.070 0.114 0.000 2.456 153 H HA -0.076 4.480 4.556 -0.000 0.000 0.296 153 H C 1.957 177.272 175.328 -0.022 0.000 1.079 153 H CA 1.339 57.392 56.048 0.009 0.000 1.322 153 H CB -0.402 29.447 29.762 0.145 0.000 1.388 153 H HN 0.434 nan 8.280 nan 0.000 0.538 154 L N 0.646 121.609 121.223 -0.434 0.000 2.093 154 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 154 L C 2.692 179.469 176.870 -0.155 0.000 1.085 154 L CA 1.473 55.977 54.840 -0.560 0.000 0.755 154 L CB -0.253 41.554 42.059 -0.419 0.000 0.904 154 L HN 0.324 nan 8.230 nan 0.000 0.435 155 E N 0.234 120.406 120.200 -0.048 0.000 2.072 155 E HA -0.180 4.169 4.350 -0.000 0.000 0.191 155 E C 2.334 178.962 176.600 0.047 0.000 0.985 155 E CA 0.960 57.390 56.400 0.050 0.000 0.801 155 E CB -0.157 29.627 29.700 0.140 0.000 0.750 155 E HN 0.447 nan 8.360 nan 0.000 0.452 156 L N 1.205 122.388 121.223 -0.067 0.000 2.046 156 L HA -0.188 4.151 4.340 -0.000 0.000 0.208 156 L C 1.708 178.590 176.870 0.020 0.000 1.077 156 L CA 1.051 55.825 54.840 -0.111 0.000 0.747 156 L CB -0.221 41.612 42.059 -0.377 0.000 0.896 156 L HN 0.088 nan 8.230 nan 0.000 0.432 157 D N -2.100 118.338 120.400 0.064 0.000 2.431 157 D HA -0.036 4.604 4.640 -0.000 0.000 0.227 157 D C 1.650 178.145 176.300 0.325 0.000 1.030 157 D CA 0.637 54.808 54.000 0.286 0.000 0.897 157 D CB 0.106 41.044 40.800 0.230 0.000 1.058 157 D HN 0.221 nan 8.370 nan 0.000 0.500 158 Y N 1.399 121.699 120.300 0.000 0.000 2.490 158 Y HA 0.098 4.648 4.550 -0.000 0.000 0.281 158 Y C 0.945 176.876 175.900 0.052 0.000 1.174 158 Y CA -0.508 57.606 58.100 0.024 0.000 1.295 158 Y CB -0.663 37.773 38.460 -0.040 0.000 1.062 158 Y HN -0.220 nan 8.280 nan 0.000 0.522 159 T N 0.296 114.972 114.554 0.202 0.000 2.656 159 T HA 0.206 4.556 4.350 -0.000 0.000 0.263 159 T C 1.388 176.149 174.700 0.103 0.000 1.017 159 T CA 1.521 63.705 62.100 0.140 0.000 1.216 159 T CB -0.485 68.468 68.868 0.141 0.000 0.989 159 T HN 0.848 nan 8.240 nan 0.000 0.507 160 G N 4.541 113.403 108.800 0.104 0.000 2.232 160 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.226 160 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.226 160 G C 0.804 175.787 174.900 0.139 0.000 0.996 160 G CA 0.334 45.492 45.100 0.097 0.000 0.626 160 G HN 0.937 nan 8.290 nan 0.000 0.509 161 I N 2.074 122.743 120.570 0.165 0.000 2.182 161 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 161 I C 2.926 179.252 176.117 0.348 0.000 1.073 161 I CA 2.932 64.376 61.300 0.242 0.000 1.335 161 I CB -0.575 37.582 38.000 0.262 0.000 1.031 161 I HN 0.826 nan 8.210 nan 0.000 0.420 162 A N 0.105 123.059 122.820 0.224 0.000 1.903 162 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 162 A C 2.437 180.305 177.584 0.473 0.000 1.191 162 A CA 2.751 54.946 52.037 0.262 0.000 0.638 162 A CB -1.375 17.733 19.000 0.180 0.000 0.823 162 A HN 0.647 nan 8.150 nan 0.000 0.451 163 A N -1.618 121.386 122.820 0.308 0.000 1.997 163 A HA 0.152 4.472 4.320 -0.000 0.000 0.212 163 A C 1.894 179.592 177.584 0.191 0.000 1.178 163 A CA 1.539 53.721 52.037 0.241 0.000 0.698 163 A CB -0.198 18.881 19.000 0.131 0.000 0.842 163 A HN 0.347 nan 8.150 nan 0.000 0.458 164 K N -1.453 119.059 120.400 0.186 0.000 2.442 164 K HA -0.059 4.261 4.320 -0.000 0.000 0.199 164 K C -0.260 176.358 176.600 0.030 0.000 1.044 164 K CA 0.625 56.977 56.287 0.109 0.000 0.941 164 K CB -0.469 32.094 32.500 0.106 0.000 0.759 164 K HN 0.535 nan 8.250 nan 0.000 0.472 165 Y N -1.259 118.960 120.300 -0.134 0.000 2.581 165 Y HA 0.280 4.830 4.550 -0.000 0.000 0.345 165 Y C -1.338 174.314 175.900 -0.414 0.000 1.036 165 Y CA -2.051 55.748 58.100 -0.500 0.000 1.042 165 Y CB 1.609 39.502 38.460 -0.946 0.000 1.289 165 Y HN -0.116 nan 8.280 nan 0.000 0.471 166 D N 3.053 122.727 120.400 -1.210 0.000 2.563 166 D HA 0.106 4.745 4.640 -0.000 0.000 0.222 166 D C -0.131 175.876 176.300 -0.488 0.000 1.145 166 D CA 0.009 53.623 54.000 -0.644 0.000 1.001 166 D CB -0.194 40.265 40.800 -0.568 0.000 1.049 166 D HN 0.574 nan 8.370 nan 0.000 0.515 167 W N 2.685 123.963 121.300 -0.037 0.000 2.378 167 W HA -0.050 4.610 4.660 -0.000 0.000 0.313 167 W C 2.522 178.982 176.519 -0.097 0.000 1.197 167 W CA 0.846 58.148 57.345 -0.073 0.000 1.304 167 W CB -0.552 28.656 29.460 -0.419 0.000 1.148 167 W HN 0.432 nan 8.180 nan 0.000 0.494 168 A N 0.881 123.828 122.820 0.212 0.000 1.971 168 A HA -0.260 4.059 4.320 -0.000 0.000 0.222 168 A C 2.030 179.689 177.584 0.124 0.000 1.182 168 A CA 2.686 54.872 52.037 0.248 0.000 0.649 168 A CB -1.336 17.887 19.000 0.372 0.000 0.818 168 A HN 0.280 nan 8.150 nan 0.000 0.458 169 A N -0.883 121.976 122.820 0.065 0.000 2.121 169 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 169 A C 2.002 179.612 177.584 0.044 0.000 1.154 169 A CA 1.268 53.319 52.037 0.024 0.000 0.679 169 A CB -0.472 18.500 19.000 -0.046 0.000 0.795 169 A HN 0.509 nan 8.150 nan 0.000 0.458 170 L N -1.852 119.418 121.223 0.078 0.000 2.240 170 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 170 L C 2.279 179.200 176.870 0.085 0.000 1.106 170 L CA 0.738 55.633 54.840 0.091 0.000 0.793 170 L CB -0.449 41.692 42.059 0.136 0.000 0.927 170 L HN 0.564 nan 8.230 nan 0.000 0.446 171 G N -0.349 108.503 108.800 0.086 0.000 4.754 171 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.222 171 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.222 171 G C 0.219 175.191 174.900 0.120 0.000 1.377 171 G CA 0.602 45.757 45.100 0.091 0.000 0.942 171 G HN 0.483 nan 8.290 nan 0.000 0.671 172 H N 0.068 119.135 119.070 -0.005 0.000 2.924 172 H HA 0.594 5.150 4.556 -0.000 0.000 0.333 172 H C -0.196 175.084 175.328 -0.080 0.000 0.979 172 H CA -0.003 56.019 56.048 -0.043 0.000 1.326 172 H CB 1.711 31.442 29.762 -0.051 0.000 1.600 172 H HN 0.856 nan 8.280 nan 0.000 0.520 173 V N 2.932 122.565 119.914 -0.468 0.000 2.581 173 V HA 0.699 4.819 4.120 -0.000 0.000 0.303 173 V C -0.681 175.104 176.094 -0.514 0.000 1.041 173 V CA -0.887 61.193 62.300 -0.365 0.000 0.907 173 V CB 1.684 33.435 31.823 -0.121 0.000 0.994 173 V HN 0.491 nan 8.190 nan 0.000 0.442 174 V N 2.958 122.583 119.914 -0.482 0.000 2.384 174 V HA 0.390 4.509 4.120 -0.000 0.000 0.287 174 V C -0.396 175.606 176.094 -0.153 0.000 1.020 174 V CA -0.131 61.962 62.300 -0.345 0.000 0.850 174 V CB 1.360 32.922 31.823 -0.434 0.000 0.987 174 V HN 1.024 nan 8.190 nan 0.000 0.436 175 D N 4.429 124.786 120.400 -0.071 0.000 2.441 175 D HA 0.191 4.831 4.640 -0.000 0.000 0.221 175 D C -0.131 176.202 176.300 0.055 0.000 1.156 175 D CA -0.081 53.918 54.000 -0.002 0.000 0.896 175 D CB 1.293 42.088 40.800 -0.008 0.000 1.028 175 D HN 0.278 nan 8.370 nan 0.000 0.509 176 V N 3.444 123.413 119.914 0.091 0.000 2.421 176 V HA 0.357 4.477 4.120 -0.000 0.000 0.271 176 V C 1.584 177.785 176.094 0.178 0.000 1.031 176 V CA 0.421 62.807 62.300 0.143 0.000 1.032 176 V CB 0.541 32.431 31.823 0.111 0.000 1.009 176 V HN 0.835 nan 8.190 nan 0.000 0.477 177 G N 4.307 113.242 108.800 0.224 0.000 2.149 177 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.235 177 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.235 177 G C 0.832 175.802 174.900 0.117 0.000 1.018 177 G CA 0.032 45.266 45.100 0.223 0.000 0.728 177 G HN 1.315 nan 8.290 nan 0.000 0.508 178 G N -0.005 108.840 108.800 0.076 0.000 2.843 178 G HA2 0.455 4.415 3.960 -0.000 0.000 0.205 178 G HA3 0.455 4.415 3.960 -0.000 0.000 0.205 178 G C 1.798 176.711 174.900 0.022 0.000 1.160 178 G CA 1.396 46.523 45.100 0.046 0.000 0.819 178 G HN 2.052 nan 8.290 nan 0.000 0.516 179 G N 0.300 109.116 108.800 0.026 0.000 2.602 179 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.306 179 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.306 179 G C 1.433 176.309 174.900 -0.039 0.000 1.301 179 G CA 1.335 46.439 45.100 0.006 0.000 0.974 179 G HN 1.357 nan 8.290 nan 0.000 0.547 180 S N 0.430 116.090 115.700 -0.068 0.000 2.786 180 S HA 0.401 4.871 4.470 -0.000 0.000 0.223 180 S C 2.022 176.497 174.600 -0.208 0.000 0.956 180 S CA 1.038 59.160 58.200 -0.129 0.000 0.961 180 S CB -0.141 62.991 63.200 -0.113 0.000 0.784 180 S HN 2.778 nan 8.310 nan 0.000 0.519 181 G N 0.337 109.056 108.800 -0.136 0.000 2.159 181 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.256 181 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.256 181 G C 0.979 175.869 174.900 -0.015 0.000 0.977 181 G CA 0.151 45.198 45.100 -0.088 0.000 0.652 181 G HN 0.919 nan 8.290 nan 0.000 0.531 182 G N 0.427 109.191 108.800 -0.060 0.000 2.476 182 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.218 182 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.218 182 G C 1.745 176.607 174.900 -0.064 0.000 1.164 182 G CA 1.733 46.801 45.100 -0.053 0.000 0.768 182 G HN 1.055 nan 8.290 nan 0.000 0.560 183 L N 0.307 121.467 121.223 -0.106 0.000 2.017 183 L HA 0.091 4.431 4.340 -0.000 0.000 0.208 183 L C 2.602 179.378 176.870 -0.158 0.000 1.073 183 L CA 1.411 56.158 54.840 -0.156 0.000 0.745 183 L CB -0.514 41.441 42.059 -0.174 0.000 0.894 183 L HN 0.223 nan 8.230 nan 0.000 0.432 184 L N -1.357 119.814 121.223 -0.086 0.000 2.046 184 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 184 L C 2.623 179.458 176.870 -0.058 0.000 1.077 184 L CA 1.819 56.600 54.840 -0.098 0.000 0.747 184 L CB -0.391 41.678 42.059 0.018 0.000 0.896 184 L HN 0.493 nan 8.230 nan 0.000 0.432 185 S N -0.617 115.136 115.700 0.089 0.000 2.400 185 S HA -0.170 4.300 4.470 -0.000 0.000 0.232 185 S C 1.966 176.564 174.600 -0.003 0.000 1.025 185 S CA 1.280 59.545 58.200 0.108 0.000 0.993 185 S CB -0.042 63.265 63.200 0.178 0.000 0.808 185 S HN 0.573 nan 8.310 nan 0.000 0.478 186 A N 0.783 123.572 122.820 -0.051 0.000 1.930 186 A HA 0.188 4.508 4.320 -0.000 0.000 0.215 186 A C 2.006 179.525 177.584 -0.108 0.000 1.176 186 A CA 0.900 52.899 52.037 -0.064 0.000 0.632 186 A CB -0.574 18.383 19.000 -0.072 0.000 0.819 186 A HN 0.491 nan 8.150 nan 0.000 0.445 187 L N -0.050 121.031 121.223 -0.237 0.000 2.005 187 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 187 L C 2.469 179.249 176.870 -0.149 0.000 1.072 187 L CA 1.530 56.149 54.840 -0.367 0.000 0.744 187 L CB -0.985 40.667 42.059 -0.678 0.000 0.895 187 L HN 0.359 nan 8.230 nan 0.000 0.433 188 L N -1.650 119.495 121.223 -0.131 0.000 2.141 188 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 188 L C 2.304 179.176 176.870 0.002 0.000 1.094 188 L CA 1.177 55.979 54.840 -0.062 0.000 0.763 188 L CB -0.938 41.048 42.059 -0.123 0.000 0.908 188 L HN 0.268 nan 8.230 nan 0.000 0.437 189 T N -0.042 114.511 114.554 -0.001 0.000 2.821 189 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 189 T C 1.900 176.624 174.700 0.039 0.000 1.046 189 T CA 1.317 63.426 62.100 0.015 0.000 1.139 189 T CB -0.036 68.839 68.868 0.011 0.000 0.871 189 T HN 0.445 nan 8.240 nan 0.000 0.454 190 A N 0.407 123.282 122.820 0.092 0.000 2.123 190 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 190 A C 0.283 177.875 177.584 0.013 0.000 1.152 190 A CA 0.608 52.701 52.037 0.094 0.000 0.728 190 A CB -0.160 18.947 19.000 0.178 0.000 0.814 190 A HN 0.539 nan 8.150 nan 0.000 0.464 191 H N -0.321 118.748 119.070 -0.002 0.000 2.854 191 H HA 0.337 4.893 4.556 -0.000 0.000 0.275 191 H C 0.077 175.405 175.328 0.000 0.000 1.198 191 H CA -0.608 55.450 56.048 0.018 0.000 1.489 191 H CB 0.608 30.401 29.762 0.052 0.000 1.519 191 H HN 0.391 nan 8.280 nan 0.000 0.503 192 E N 0.882 121.125 120.200 0.072 0.000 2.463 192 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 192 E C 0.170 176.792 176.600 0.038 0.000 1.045 192 E CA 0.923 57.345 56.400 0.037 0.000 0.872 192 E CB 0.234 29.941 29.700 0.012 0.000 0.797 192 E HN 0.540 nan 8.360 nan 0.000 0.538 193 D N -0.305 120.132 120.400 0.062 0.000 2.433 193 D HA 0.097 4.737 4.640 -0.000 0.000 0.211 193 D C -0.479 175.857 176.300 0.060 0.000 1.114 193 D CA -0.168 53.862 54.000 0.051 0.000 0.837 193 D CB 0.502 41.333 40.800 0.051 0.000 0.984 193 D HN -0.012 nan 8.370 nan 0.000 0.505 194 L N 1.034 122.299 121.223 0.070 0.000 2.357 194 L HA 0.556 4.895 4.340 -0.000 0.000 0.273 194 L C -0.098 176.778 176.870 0.010 0.000 1.080 194 L CA -0.201 54.668 54.840 0.049 0.000 0.803 194 L CB 1.241 43.324 42.059 0.040 0.000 1.174 194 L HN -0.025 nan 8.230 nan 0.000 0.443 195 S N 2.103 117.817 115.700 0.023 0.000 2.595 195 S HA 1.019 5.488 4.470 -0.000 0.000 0.281 195 S C -0.530 173.982 174.600 -0.147 0.000 1.117 195 S CA -0.125 58.093 58.200 0.031 0.000 0.873 195 S CB 1.701 65.011 63.200 0.183 0.000 1.108 195 S HN 1.106 nan 8.310 nan 0.000 0.477 196 G N -0.084 108.559 108.800 -0.262 0.000 2.645 196 G HA2 0.670 4.630 3.960 -0.000 0.000 0.292 196 G HA3 0.670 4.630 3.960 -0.000 0.000 0.292 196 G C -1.649 173.085 174.900 -0.276 0.000 1.415 196 G CA -0.698 44.038 45.100 -0.606 0.000 0.785 196 G HN 0.845 nan 8.290 nan 0.000 0.483 197 T N 0.128 114.532 114.554 -0.249 0.000 2.928 197 T HA 0.510 4.860 4.350 -0.000 0.000 0.296 197 T C -0.625 174.081 174.700 0.009 0.000 1.000 197 T CA -0.313 61.776 62.100 -0.019 0.000 0.989 197 T CB 1.780 70.699 68.868 0.085 0.000 1.005 197 T HN 0.457 nan 8.240 nan 0.000 0.442 198 V N 4.461 124.440 119.914 0.109 0.000 2.432 198 V HA 0.470 4.590 4.120 -0.000 0.000 0.275 198 V C -0.088 176.054 176.094 0.081 0.000 1.043 198 V CA -0.684 61.683 62.300 0.111 0.000 0.925 198 V CB 1.232 33.162 31.823 0.179 0.000 0.985 198 V HN 0.729 nan 8.190 nan 0.000 0.466 199 L N 5.484 126.742 121.223 0.059 0.000 2.319 199 L HA 0.695 5.035 4.340 -0.000 0.000 0.281 199 L C -0.616 176.255 176.870 0.002 0.000 1.005 199 L CA 0.245 55.108 54.840 0.038 0.000 0.828 199 L CB 1.063 43.159 42.059 0.062 0.000 1.227 199 L HN 0.720 nan 8.230 nan 0.000 0.415 200 D N 2.971 123.343 120.400 -0.047 0.000 2.825 200 D HA 0.391 5.031 4.640 -0.000 0.000 0.327 200 D C -0.884 175.331 176.300 -0.141 0.000 1.277 200 D CA -0.467 53.467 54.000 -0.110 0.000 0.950 200 D CB 1.753 42.518 40.800 -0.059 0.000 1.438 200 D HN 0.365 nan 8.370 nan 0.000 0.526 201 L N 1.257 122.380 121.223 -0.166 0.000 2.479 201 L HA 0.239 4.579 4.340 -0.000 0.000 0.249 201 L C 2.186 179.009 176.870 -0.077 0.000 1.178 201 L CA -0.421 54.337 54.840 -0.137 0.000 0.811 201 L CB 0.261 42.229 42.059 -0.151 0.000 1.187 201 L HN 0.444 nan 8.230 nan 0.000 0.480 202 Q N 0.965 120.729 119.800 -0.060 0.000 2.047 202 Q HA -0.233 4.106 4.340 -0.000 0.000 0.211 202 Q C 1.935 177.915 176.000 -0.032 0.000 1.005 202 Q CA 1.996 57.773 55.803 -0.043 0.000 0.866 202 Q CB -0.588 28.130 28.738 -0.035 0.000 0.938 202 Q HN 0.996 nan 8.270 nan 0.000 0.414 203 G N 1.587 110.374 108.800 -0.021 0.000 2.628 203 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 203 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 203 G C -1.016 173.879 174.900 -0.009 0.000 1.240 203 G CA 1.171 46.267 45.100 -0.007 0.000 0.792 203 G HN 0.317 nan 8.290 nan 0.000 0.593 204 P HA -0.016 nan 4.420 nan 0.000 0.215 204 P C 2.247 179.524 177.300 -0.038 0.000 1.157 204 P CA 2.066 65.159 63.100 -0.012 0.000 0.863 204 P CB -0.234 31.471 31.700 0.008 0.000 0.787 205 A N 0.255 123.055 122.820 -0.034 0.000 1.917 205 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 205 A C 2.374 179.945 177.584 -0.020 0.000 1.182 205 A CA 2.669 54.690 52.037 -0.027 0.000 0.633 205 A CB -1.730 17.254 19.000 -0.026 0.000 0.819 205 A HN 0.365 nan 8.150 nan 0.000 0.448 206 S N -0.300 115.386 115.700 -0.023 0.000 2.428 206 S HA 0.185 4.655 4.470 -0.000 0.000 0.230 206 S C 2.016 176.615 174.600 -0.002 0.000 1.014 206 S CA 1.099 59.299 58.200 -0.001 0.000 0.957 206 S CB -0.495 62.696 63.200 -0.015 0.000 0.784 206 S HN 0.869 nan 8.310 nan 0.000 0.499 207 A N 1.984 124.776 122.820 -0.046 0.000 1.930 207 A HA 0.399 4.719 4.320 -0.000 0.000 0.217 207 A C 2.503 179.978 177.584 -0.181 0.000 1.175 207 A CA 1.454 53.440 52.037 -0.084 0.000 0.627 207 A CB -1.372 17.583 19.000 -0.075 0.000 0.815 207 A HN 0.798 nan 8.150 nan 0.000 0.443 208 A N -0.766 121.915 122.820 -0.231 0.000 1.877 208 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 208 A C 2.017 179.182 177.584 -0.698 0.000 1.186 208 A CA 2.096 53.807 52.037 -0.543 0.000 0.620 208 A CB -0.961 17.805 19.000 -0.390 0.000 0.822 208 A HN 0.721 nan 8.150 nan 0.000 0.443 209 H N -0.173 118.706 119.070 -0.317 0.000 2.289 209 H HA -0.175 4.381 4.556 -0.000 0.000 0.296 209 H C 2.223 177.492 175.328 -0.099 0.000 1.091 209 H CA 2.342 58.330 56.048 -0.100 0.000 1.274 209 H CB -0.180 29.573 29.762 -0.016 0.000 1.364 209 H HN 0.462 nan 8.280 nan 0.000 0.490 210 R N 0.210 120.659 120.500 -0.085 0.000 2.105 210 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 210 R C 2.599 178.810 176.300 -0.149 0.000 1.135 210 R CA 1.678 57.716 56.100 -0.104 0.000 0.967 210 R CB -0.206 30.066 30.300 -0.047 0.000 0.861 210 R HN 0.317 nan 8.270 nan 0.000 0.442 211 R N -0.453 119.906 120.500 -0.235 0.000 2.070 211 R HA -0.148 4.192 4.340 -0.000 0.000 0.233 211 R C 1.947 178.193 176.300 -0.089 0.000 1.137 211 R CA 1.887 57.857 56.100 -0.217 0.000 0.945 211 R CB -0.338 29.738 30.300 -0.373 0.000 0.845 211 R HN 0.191 nan 8.270 nan 0.000 0.430 212 F N 1.313 121.208 119.950 -0.093 0.000 2.126 212 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 212 F C 2.315 178.038 175.800 -0.128 0.000 1.096 212 F CA 0.908 58.846 58.000 -0.103 0.000 1.255 212 F CB -1.014 37.924 39.000 -0.104 0.000 0.997 212 F HN 0.037 nan 8.300 nan 0.000 0.479 213 L N -0.305 120.907 121.223 -0.018 0.000 1.989 213 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 213 L C 2.287 179.142 176.870 -0.024 0.000 1.071 213 L CA 1.669 56.467 54.840 -0.070 0.000 0.749 213 L CB -0.714 41.256 42.059 -0.149 0.000 0.890 213 L HN 0.092 nan 8.230 nan 0.000 0.431 214 D N -0.675 119.710 120.400 -0.025 0.000 2.178 214 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 214 D C 1.953 178.256 176.300 0.004 0.000 0.974 214 D CA 1.944 55.937 54.000 -0.013 0.000 0.841 214 D CB -0.033 40.754 40.800 -0.022 0.000 0.953 214 D HN 0.421 nan 8.370 nan 0.000 0.478 215 T N -2.812 111.757 114.554 0.026 0.000 3.144 215 T HA 0.340 4.690 4.350 -0.000 0.000 0.249 215 T C 1.378 176.097 174.700 0.031 0.000 1.089 215 T CA 0.418 62.539 62.100 0.034 0.000 0.989 215 T CB 0.249 69.153 68.868 0.059 0.000 0.992 215 T HN 0.158 nan 8.240 nan 0.000 0.540 216 G N 1.283 110.096 108.800 0.023 0.000 2.295 216 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.287 216 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.287 216 G C 0.324 175.222 174.900 -0.003 0.000 1.055 216 G CA 0.448 45.553 45.100 0.007 0.000 0.922 216 G HN 0.606 nan 8.290 nan 0.000 0.503 217 L N 0.300 121.524 121.223 0.002 0.000 2.858 217 L HA 0.132 4.472 4.340 -0.000 0.000 0.251 217 L C 2.488 179.277 176.870 -0.134 0.000 1.149 217 L CA 0.784 55.578 54.840 -0.076 0.000 0.955 217 L CB 0.234 42.222 42.059 -0.117 0.000 1.289 217 L HN 0.383 nan 8.230 nan 0.000 0.542 218 S N -0.370 115.299 115.700 -0.052 0.000 2.465 218 S HA -0.139 4.331 4.470 -0.000 0.000 0.241 218 S C 1.962 176.533 174.600 -0.048 0.000 1.000 218 S CA 1.120 59.295 58.200 -0.042 0.000 0.964 218 S CB -0.633 62.558 63.200 -0.016 0.000 0.763 218 S HN 0.470 nan 8.310 nan 0.000 0.512 219 G N 1.175 109.945 108.800 -0.051 0.000 2.448 219 G HA2 0.022 3.982 3.960 -0.000 0.000 0.218 219 G HA3 0.022 3.982 3.960 -0.000 0.000 0.218 219 G C 1.682 176.551 174.900 -0.052 0.000 1.135 219 G CA 0.060 45.137 45.100 -0.038 0.000 0.784 219 G HN 0.526 nan 8.290 nan 0.000 0.543 220 R N -0.725 119.718 120.500 -0.095 0.000 2.342 220 R HA 0.372 4.712 4.340 -0.000 0.000 0.204 220 R C 0.568 176.767 176.300 -0.169 0.000 0.882 220 R CA 0.310 56.352 56.100 -0.098 0.000 1.041 220 R CB 0.732 30.976 30.300 -0.094 0.000 1.188 220 R HN 0.225 nan 8.270 nan 0.000 0.598 221 A N 2.335 124.951 122.820 -0.340 0.000 2.276 221 A HA 0.315 4.635 4.320 -0.000 0.000 0.316 221 A C -0.579 176.807 177.584 -0.330 0.000 1.229 221 A CA -0.394 51.268 52.037 -0.624 0.000 0.851 221 A CB 0.744 18.726 19.000 -1.696 0.000 1.165 221 A HN 0.170 nan 8.150 nan 0.000 0.513 222 Q N 2.195 121.934 119.800 -0.101 0.000 2.377 222 Q HA 0.729 5.069 4.340 -0.000 0.000 0.271 222 Q C -1.855 174.273 176.000 0.212 0.000 1.077 222 Q CA -0.676 55.191 55.803 0.106 0.000 0.820 222 Q CB 2.047 30.838 28.738 0.089 0.000 1.347 222 Q HN 0.416 nan 8.270 nan 0.000 0.444 223 V N 2.212 122.282 119.914 0.259 0.000 2.630 223 V HA 0.603 4.723 4.120 -0.000 0.000 0.305 223 V C -0.737 175.416 176.094 0.099 0.000 1.046 223 V CA -0.658 61.766 62.300 0.206 0.000 0.934 223 V CB 1.948 33.900 31.823 0.216 0.000 1.003 223 V HN 0.699 nan 8.190 nan 0.000 0.451 224 V N 4.031 123.984 119.914 0.065 0.000 2.532 224 V HA 0.294 4.414 4.120 -0.000 0.000 0.294 224 V C -0.387 175.709 176.094 0.004 0.000 1.036 224 V CA -0.574 61.745 62.300 0.031 0.000 0.876 224 V CB 2.092 33.942 31.823 0.044 0.000 1.012 224 V HN 0.608 nan 8.190 nan 0.000 0.432 225 V N 4.528 124.431 119.914 -0.018 0.000 2.555 225 V HA 0.829 4.949 4.120 -0.000 0.000 0.286 225 V C 0.890 176.958 176.094 -0.042 0.000 1.044 225 V CA 1.013 63.290 62.300 -0.038 0.000 1.026 225 V CB 0.804 32.600 31.823 -0.045 0.000 0.981 225 V HN 1.131 nan 8.190 nan 0.000 0.480 226 G N 3.034 111.791 108.800 -0.071 0.000 2.338 226 G HA2 0.424 4.384 3.960 -0.000 0.000 0.295 226 G HA3 0.424 4.384 3.960 -0.000 0.000 0.295 226 G C -1.139 173.669 174.900 -0.153 0.000 1.461 226 G CA -0.148 44.906 45.100 -0.077 0.000 0.817 226 G HN 0.756 nan 8.290 nan 0.000 0.556 227 S N -0.668 114.946 115.700 -0.143 0.000 2.508 227 S HA 0.562 5.032 4.470 -0.000 0.000 0.284 227 S C 0.936 175.417 174.600 -0.199 0.000 1.192 227 S CA -0.571 57.476 58.200 -0.256 0.000 1.070 227 S CB 0.320 63.469 63.200 -0.084 0.000 1.004 227 S HN 1.271 nan 8.310 nan 0.000 0.493 228 F N 3.068 122.857 119.950 -0.268 0.000 2.795 228 F HA 0.369 4.895 4.527 -0.000 0.000 0.303 228 F C 0.469 175.989 175.800 -0.466 0.000 1.186 228 F CA -0.879 56.913 58.000 -0.347 0.000 1.415 228 F CB -1.447 37.311 39.000 -0.403 0.000 1.106 228 F HN 0.508 nan 8.300 nan 0.000 0.558 229 F N 0.193 120.217 119.950 0.122 0.000 2.714 229 F HA 0.152 4.680 4.527 0.000 0.000 0.294 229 F C 0.989 176.783 175.800 -0.010 0.000 1.120 229 F CA -0.253 57.760 58.000 0.021 0.000 1.398 229 F CB 0.104 39.080 39.000 -0.040 0.000 1.120 229 F HN -0.113 nan 8.300 nan 0.000 0.589 230 D N -0.049 120.432 120.400 0.135 0.000 2.440 230 D HA 0.259 4.899 4.640 -0.000 0.000 0.258 230 D C -2.236 174.088 176.300 0.041 0.000 1.092 230 D CA -1.569 52.474 54.000 0.072 0.000 1.016 230 D CB 0.301 41.129 40.800 0.046 0.000 1.141 230 D HN -0.222 nan 8.370 nan 0.000 0.552 231 P HA 0.077 nan 4.420 nan 0.000 0.270 231 P C -0.565 176.752 177.300 0.028 0.000 1.221 231 P CA 0.323 63.432 63.100 0.016 0.000 0.788 231 P CB 0.547 32.256 31.700 0.014 0.000 0.904 232 L N 1.456 122.700 121.223 0.035 0.000 2.309 232 L HA 0.535 4.874 4.340 -0.000 0.000 0.261 232 L C -2.252 174.692 176.870 0.123 0.000 1.021 232 L CA -2.499 52.393 54.840 0.087 0.000 0.823 232 L CB 1.140 43.270 42.059 0.119 0.000 1.366 232 L HN 0.159 nan 8.230 nan 0.000 0.423 233 P HA 0.105 nan 4.420 nan 0.000 0.262 233 P C -0.787 176.660 177.300 0.245 0.000 1.199 233 P CA 0.136 63.331 63.100 0.159 0.000 0.763 233 P CB 0.594 32.384 31.700 0.149 0.000 0.790 234 A N 3.337 126.259 122.820 0.170 0.000 2.257 234 A HA 0.609 4.929 4.320 -0.000 0.000 0.289 234 A C 1.220 178.932 177.584 0.214 0.000 1.095 234 A CA 0.010 52.162 52.037 0.191 0.000 0.836 234 A CB -0.276 18.775 19.000 0.085 0.000 1.111 234 A HN 0.786 nan 8.150 nan 0.000 0.497 235 G N -1.410 107.523 108.800 0.221 0.000 2.295 235 G HA2 0.215 4.175 3.960 -0.000 0.000 0.287 235 G HA3 0.215 4.175 3.960 -0.000 0.000 0.287 235 G C 0.380 175.401 174.900 0.201 0.000 1.055 235 G CA 0.681 45.889 45.100 0.181 0.000 0.922 235 G HN 1.955 nan 8.290 nan 0.000 0.503 236 A N -0.791 122.213 122.820 0.307 0.000 2.279 236 A HA 0.853 5.172 4.320 -0.000 0.000 0.303 236 A C 1.693 179.353 177.584 0.126 0.000 1.108 236 A CA 0.730 52.830 52.037 0.105 0.000 0.830 236 A CB 0.863 19.658 19.000 -0.343 0.000 1.106 236 A HN 1.396 nan 8.150 nan 0.000 0.493 237 G N 0.063 108.907 108.800 0.072 0.000 2.422 237 G HA2 0.357 4.317 3.960 -0.000 0.000 0.218 237 G HA3 0.357 4.317 3.960 -0.000 0.000 0.218 237 G C 0.680 175.636 174.900 0.094 0.000 1.146 237 G CA 1.099 46.251 45.100 0.087 0.000 0.769 237 G HN 1.572 nan 8.290 nan 0.000 0.547 238 G N -1.827 106.978 108.800 0.009 0.000 2.742 238 G HA2 0.500 4.459 3.960 -0.000 0.000 0.296 238 G HA3 0.500 4.459 3.960 -0.000 0.000 0.296 238 G C -2.080 172.740 174.900 -0.132 0.000 1.436 238 G CA -0.792 44.343 45.100 0.059 0.000 0.928 238 G HN 0.001 nan 8.290 nan 0.000 0.520 239 Y N 0.644 120.961 120.300 0.028 0.000 2.328 239 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 239 Y C 0.304 176.214 175.900 0.016 0.000 0.960 239 Y CA -0.835 57.275 58.100 0.017 0.000 1.134 239 Y CB 2.320 40.780 38.460 -0.001 0.000 1.166 239 Y HN 0.351 nan 8.280 nan 0.000 0.464 240 V N 5.364 125.347 119.914 0.114 0.000 2.472 240 V HA 0.379 4.498 4.120 -0.000 0.000 0.290 240 V C -0.215 175.924 176.094 0.075 0.000 1.037 240 V CA -0.837 61.526 62.300 0.105 0.000 0.908 240 V CB 1.738 33.633 31.823 0.121 0.000 0.985 240 V HN 0.606 nan 8.190 nan 0.000 0.454 241 L N 4.072 125.326 121.223 0.051 0.000 2.408 241 L HA 0.367 4.707 4.340 -0.000 0.000 0.257 241 L C 0.194 177.090 176.870 0.043 0.000 1.053 241 L CA 0.046 54.888 54.840 0.003 0.000 0.922 241 L CB 1.540 43.559 42.059 -0.065 0.000 1.261 241 L HN 0.672 nan 8.230 nan 0.000 0.458 242 S N 2.752 118.506 115.700 0.090 0.000 2.399 242 S HA 0.529 4.999 4.470 -0.000 0.000 0.301 242 S C 0.962 175.645 174.600 0.139 0.000 1.093 242 S CA 0.284 58.590 58.200 0.176 0.000 1.077 242 S CB 0.592 63.917 63.200 0.209 0.000 0.980 242 S HN 0.798 nan 8.310 nan 0.000 0.494 243 A N 3.432 126.302 122.820 0.084 0.000 2.739 243 A HA -0.118 4.202 4.320 -0.000 0.000 0.296 243 A C 0.778 178.199 177.584 -0.272 0.000 1.488 243 A CA 0.993 52.943 52.037 -0.145 0.000 0.746 243 A CB -2.264 16.802 19.000 0.109 0.000 1.047 243 A HN 0.990 nan 8.150 nan 0.000 0.477 244 V N -0.810 118.978 119.914 -0.210 0.000 2.854 244 V HA 0.016 4.136 4.120 -0.000 0.000 0.236 244 V C 2.300 178.392 176.094 -0.004 0.000 1.157 244 V CA 1.148 63.418 62.300 -0.049 0.000 1.187 244 V CB -0.429 31.364 31.823 -0.049 0.000 0.949 244 V HN 0.610 nan 8.190 nan 0.000 0.488 245 L N 1.244 122.428 121.223 -0.065 0.000 2.081 245 L HA -0.221 4.118 4.340 -0.000 0.000 0.212 245 L C 2.515 179.474 176.870 0.148 0.000 1.080 245 L CA 2.204 57.080 54.840 0.060 0.000 0.754 245 L CB -0.883 41.180 42.059 0.007 0.000 0.893 245 L HN 0.716 nan 8.230 nan 0.000 0.433 246 H N -2.551 116.584 119.070 0.109 0.000 2.563 246 H HA -0.024 4.532 4.556 -0.000 0.000 0.272 246 H C 0.968 176.301 175.328 0.009 0.000 1.005 246 H CA 0.451 56.547 56.048 0.080 0.000 1.171 246 H CB -0.789 29.020 29.762 0.078 0.000 1.351 246 H HN 0.279 nan 8.280 nan 0.000 0.602 247 D N -0.667 119.773 120.400 0.067 0.000 2.350 247 D HA 0.049 4.688 4.640 -0.000 0.000 0.213 247 D C -0.501 175.347 176.300 -0.754 0.000 1.031 247 D CA 0.224 53.860 54.000 -0.605 0.000 0.861 247 D CB 0.063 40.258 40.800 -1.008 0.000 0.926 247 D HN 0.416 nan 8.370 nan 0.000 0.520 248 W N 1.566 122.912 121.300 0.076 0.000 2.761 248 W HA 0.258 4.918 4.660 -0.001 0.000 0.340 248 W C 0.044 176.649 176.519 0.144 0.000 1.072 248 W CA -1.208 56.224 57.345 0.146 0.000 1.215 248 W CB 0.754 30.302 29.460 0.146 0.000 1.420 248 W HN -0.252 nan 8.180 nan 0.000 0.519 249 D N -0.180 120.456 120.400 0.393 0.000 2.369 249 D HA -0.036 4.604 4.640 -0.000 0.000 0.241 249 D C 0.856 177.299 176.300 0.239 0.000 1.271 249 D CA 0.016 54.172 54.000 0.259 0.000 0.942 249 D CB 0.743 41.675 40.800 0.219 0.000 1.129 249 D HN 0.370 nan 8.370 nan 0.000 0.476 250 D N -0.531 119.966 120.400 0.162 0.000 2.133 250 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 250 D C 2.091 178.462 176.300 0.117 0.000 0.997 250 D CA 1.016 55.091 54.000 0.125 0.000 0.840 250 D CB -0.019 40.835 40.800 0.090 0.000 0.947 250 D HN 0.378 nan 8.370 nan 0.000 0.452 251 L N 0.897 122.193 121.223 0.123 0.000 1.994 251 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 251 L C 2.707 179.649 176.870 0.120 0.000 1.071 251 L CA 1.046 55.947 54.840 0.102 0.000 0.745 251 L CB -0.395 41.718 42.059 0.090 0.000 0.892 251 L HN -0.032 nan 8.230 nan 0.000 0.431 252 S N 0.051 115.865 115.700 0.190 0.000 2.368 252 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 252 S C 2.177 176.854 174.600 0.129 0.000 1.030 252 S CA 1.148 59.492 58.200 0.241 0.000 0.999 252 S CB -0.459 63.000 63.200 0.432 0.000 0.844 252 S HN 0.499 nan 8.310 nan 0.000 0.459 253 A N 1.402 124.307 122.820 0.142 0.000 1.917 253 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 253 A C 2.374 179.935 177.584 -0.038 0.000 1.182 253 A CA 1.785 53.840 52.037 0.029 0.000 0.633 253 A CB -1.034 18.030 19.000 0.106 0.000 0.819 253 A HN 0.354 nan 8.150 nan 0.000 0.448 254 V N -0.231 119.691 119.914 0.014 0.000 2.295 254 V HA -0.239 3.880 4.120 -0.000 0.000 0.246 254 V C 3.059 179.140 176.094 -0.022 0.000 1.049 254 V CA 1.875 64.172 62.300 -0.005 0.000 1.024 254 V CB -1.362 30.472 31.823 0.019 0.000 0.648 254 V HN 0.644 nan 8.190 nan 0.000 0.447 255 A N 0.328 123.160 122.820 0.021 0.000 1.873 255 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 255 A C 2.178 179.732 177.584 -0.050 0.000 1.193 255 A CA 2.381 54.449 52.037 0.052 0.000 0.629 255 A CB -0.666 18.459 19.000 0.209 0.000 0.826 255 A HN 0.513 nan 8.150 nan 0.000 0.447 256 I N -0.541 119.903 120.570 -0.210 0.000 2.163 256 I HA -0.289 3.880 4.170 -0.000 0.000 0.243 256 I C 2.476 178.414 176.117 -0.299 0.000 1.085 256 I CA 1.360 62.383 61.300 -0.461 0.000 1.347 256 I CB -0.430 37.064 38.000 -0.843 0.000 1.044 256 I HN 0.303 nan 8.210 nan 0.000 0.408 257 L N 0.124 121.220 121.223 -0.212 0.000 2.083 257 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 257 L C 2.905 179.700 176.870 -0.125 0.000 1.083 257 L CA 1.233 55.983 54.840 -0.150 0.000 0.752 257 L CB -0.519 41.481 42.059 -0.098 0.000 0.899 257 L HN 0.224 nan 8.230 nan 0.000 0.433 258 R N -0.344 120.096 120.500 -0.099 0.000 2.082 258 R HA -0.154 4.185 4.340 -0.000 0.000 0.234 258 R C 2.375 178.613 176.300 -0.104 0.000 1.136 258 R CA 1.179 57.231 56.100 -0.079 0.000 0.935 258 R CB -0.489 29.784 30.300 -0.045 0.000 0.842 258 R HN 0.304 nan 8.270 nan 0.000 0.430 259 R N 0.611 121.047 120.500 -0.107 0.000 2.113 259 R HA -0.161 4.178 4.340 -0.000 0.000 0.244 259 R C 2.411 178.595 176.300 -0.193 0.000 1.142 259 R CA 1.544 57.575 56.100 -0.117 0.000 0.953 259 R CB -1.422 28.821 30.300 -0.095 0.000 0.860 259 R HN 0.353 nan 8.270 nan 0.000 0.438 260 C N 0.122 119.287 119.300 -0.225 0.000 2.429 260 C HA -0.033 4.427 4.460 -0.000 0.000 0.277 260 C C 2.909 177.681 174.990 -0.362 0.000 1.262 260 C CA 0.527 59.338 59.018 -0.345 0.000 1.733 260 C CB -1.208 26.406 27.740 -0.209 0.000 2.010 260 C HN 0.571 nan 8.230 nan 0.000 0.483 261 A N 0.911 123.605 122.820 -0.210 0.000 1.865 261 A HA -0.235 4.084 4.320 -0.000 0.000 0.217 261 A C 1.979 179.465 177.584 -0.163 0.000 1.191 261 A CA 1.988 53.932 52.037 -0.154 0.000 0.623 261 A CB -0.664 18.278 19.000 -0.096 0.000 0.826 261 A HN 0.696 nan 8.150 nan 0.000 0.444 262 E N -0.344 119.766 120.200 -0.150 0.000 2.058 262 E HA -0.147 4.202 4.350 -0.000 0.000 0.194 262 E C 2.274 178.781 176.600 -0.155 0.000 0.997 262 E CA 1.198 57.527 56.400 -0.119 0.000 0.801 262 E CB -0.330 29.317 29.700 -0.089 0.000 0.746 262 E HN 0.617 nan 8.360 nan 0.000 0.450 263 A N 1.001 123.659 122.820 -0.270 0.000 2.019 263 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 263 A C 2.272 179.662 177.584 -0.324 0.000 1.164 263 A CA 1.539 53.383 52.037 -0.321 0.000 0.644 263 A CB -0.413 18.259 19.000 -0.546 0.000 0.805 263 A HN 0.290 nan 8.150 nan 0.000 0.449 264 A N -1.234 121.343 122.820 -0.406 0.000 2.021 264 A HA 0.429 4.749 4.320 -0.000 0.000 0.216 264 A C 1.856 179.432 177.584 -0.015 0.000 1.163 264 A CA 1.441 53.402 52.037 -0.126 0.000 0.676 264 A CB -1.154 17.777 19.000 -0.116 0.000 0.818 264 A HN 1.961 nan 8.150 nan 0.000 0.453 265 G N -0.424 108.346 108.800 -0.051 0.000 2.598 265 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.269 265 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.269 265 G C 0.876 175.775 174.900 -0.002 0.000 1.289 265 G CA 1.138 46.228 45.100 -0.017 0.000 0.926 265 G HN 1.543 nan 8.290 nan 0.000 0.567 266 S N -0.525 115.179 115.700 0.007 0.000 2.650 266 S HA 0.423 4.893 4.470 -0.000 0.000 0.219 266 S C 1.646 176.260 174.600 0.022 0.000 0.960 266 S CA 0.968 59.175 58.200 0.011 0.000 0.925 266 S CB 0.438 63.643 63.200 0.008 0.000 0.775 266 S HN 2.049 nan 8.310 nan 0.000 0.525 267 G N -0.199 108.623 108.800 0.035 0.000 3.215 267 G HA2 0.539 4.499 3.960 -0.000 0.000 0.236 267 G HA3 0.539 4.499 3.960 -0.000 0.000 0.236 267 G C 0.399 175.341 174.900 0.070 0.000 1.029 267 G CA 0.092 45.220 45.100 0.047 0.000 0.909 267 G HN 0.642 nan 8.290 nan 0.000 0.543 268 G N -0.507 108.346 108.800 0.089 0.000 2.488 268 G HA2 0.511 4.471 3.960 -0.000 0.000 0.318 268 G HA3 0.511 4.471 3.960 -0.000 0.000 0.318 268 G C -1.301 173.668 174.900 0.115 0.000 1.188 268 G CA -0.578 44.607 45.100 0.142 0.000 0.944 268 G HN 0.364 nan 8.290 nan 0.000 0.495 269 V N 0.297 120.297 119.914 0.143 0.000 2.531 269 V HA 0.492 4.612 4.120 -0.000 0.000 0.301 269 V C -0.537 175.628 176.094 0.118 0.000 1.034 269 V CA -0.613 61.748 62.300 0.102 0.000 0.865 269 V CB 1.862 33.739 31.823 0.090 0.000 0.995 269 V HN 0.495 nan 8.190 nan 0.000 0.424 270 V N 7.808 127.763 119.914 0.069 0.000 2.383 270 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 270 V C -0.514 175.587 176.094 0.010 0.000 1.036 270 V CA -0.525 61.811 62.300 0.061 0.000 0.889 270 V CB 1.363 33.192 31.823 0.009 0.000 0.985 270 V HN 0.562 nan 8.190 nan 0.000 0.459 271 L N 6.448 127.673 121.223 0.002 0.000 2.319 271 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 271 L C -0.107 176.757 176.870 -0.011 0.000 1.005 271 L CA -0.243 54.560 54.840 -0.061 0.000 0.828 271 L CB 1.697 43.652 42.059 -0.174 0.000 1.227 271 L HN 0.357 nan 8.230 nan 0.000 0.415 272 V N 5.397 125.303 119.914 -0.014 0.000 2.383 272 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 272 V C 0.248 176.357 176.094 0.025 0.000 1.036 272 V CA -0.300 62.004 62.300 0.006 0.000 0.889 272 V CB 1.467 33.289 31.823 -0.001 0.000 0.985 272 V HN 0.485 nan 8.190 nan 0.000 0.459 273 I N 6.320 126.929 120.570 0.065 0.000 2.390 273 I HA 0.575 4.745 4.170 -0.000 0.000 0.283 273 I C -0.156 176.028 176.117 0.112 0.000 1.016 273 I CA -0.115 61.233 61.300 0.081 0.000 1.151 273 I CB 1.024 39.122 38.000 0.164 0.000 1.293 273 I HN 0.854 nan 8.210 nan 0.000 0.458 274 E N 5.156 125.403 120.200 0.080 0.000 2.396 274 E HA 0.575 4.925 4.350 -0.000 0.000 0.280 274 E C -1.494 175.188 176.600 0.137 0.000 1.065 274 E CA -1.198 55.293 56.400 0.153 0.000 0.831 274 E CB 1.286 31.087 29.700 0.169 0.000 1.272 274 E HN 0.437 nan 8.360 nan 0.000 0.443 275 A N 1.676 124.610 122.820 0.190 0.000 2.476 275 A HA 0.410 4.729 4.320 -0.000 0.000 0.275 275 A C 0.608 178.271 177.584 0.131 0.000 1.133 275 A CA -0.030 52.097 52.037 0.150 0.000 0.797 275 A CB -0.517 18.586 19.000 0.172 0.000 1.081 275 A HN 0.819 nan 8.150 nan 0.000 0.510 276 V N 1.205 121.175 119.914 0.093 0.000 2.997 276 V HA 0.787 4.907 4.120 -0.000 0.000 0.311 276 V C 0.759 176.890 176.094 0.063 0.000 1.066 276 V CA -0.631 61.716 62.300 0.078 0.000 1.039 276 V CB 0.859 32.717 31.823 0.058 0.000 1.081 276 V HN 1.624 nan 8.190 nan 0.000 0.467 277 A N 2.248 125.100 122.820 0.054 0.000 2.584 277 A HA 0.489 4.809 4.320 -0.000 0.000 0.239 277 A C 1.516 179.120 177.584 0.033 0.000 1.043 277 A CA 0.889 52.950 52.037 0.041 0.000 0.756 277 A CB -0.973 18.048 19.000 0.035 0.000 0.963 277 A HN 2.808 nan 8.150 nan 0.000 0.511 278 G N 2.252 111.069 108.800 0.029 0.000 2.850 278 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.207 278 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.207 278 G C 0.096 175.012 174.900 0.026 0.000 1.302 278 G CA 0.195 45.308 45.100 0.022 0.000 0.832 278 G HN 0.843 nan 8.290 nan 0.000 0.543 279 D N 2.490 122.912 120.400 0.037 0.000 2.406 279 D HA 0.351 4.991 4.640 -0.000 0.000 0.234 279 D C 0.939 177.272 176.300 0.055 0.000 1.196 279 D CA 0.549 54.577 54.000 0.048 0.000 0.881 279 D CB 0.495 41.334 40.800 0.066 0.000 1.205 279 D HN 0.642 nan 8.370 nan 0.000 0.453 280 E N -0.194 120.044 120.200 0.064 0.000 2.369 280 E HA 0.047 4.397 4.350 -0.000 0.000 0.255 280 E C 0.155 176.781 176.600 0.044 0.000 1.172 280 E CA -0.467 55.943 56.400 0.017 0.000 0.932 280 E CB 0.456 30.168 29.700 0.020 0.000 1.040 280 E HN 0.415 nan 8.360 nan 0.000 0.454 281 H N -2.228 116.831 119.070 -0.018 0.000 3.179 281 H HA -0.192 4.364 4.556 -0.000 0.000 0.250 281 H C -0.857 174.461 175.328 -0.016 0.000 1.142 281 H CA 0.890 56.896 56.048 -0.071 0.000 1.165 281 H CB -1.650 28.061 29.762 -0.085 0.000 1.253 281 H HN 0.475 nan 8.280 nan 0.000 0.325 282 A N 0.003 122.882 122.820 0.098 0.000 2.359 282 A HA 0.763 5.083 4.320 -0.000 0.000 0.303 282 A C 0.652 178.255 177.584 0.031 0.000 1.066 282 A CA 0.269 52.343 52.037 0.062 0.000 0.730 282 A CB 1.956 21.000 19.000 0.074 0.000 1.211 282 A HN 0.651 nan 8.150 nan 0.000 0.439 283 G N -0.368 108.440 108.800 0.015 0.000 2.600 283 G HA2 0.501 4.461 3.960 -0.000 0.000 0.293 283 G HA3 0.501 4.461 3.960 -0.000 0.000 0.293 283 G C 0.551 175.454 174.900 0.004 0.000 1.408 283 G CA 0.435 45.539 45.100 0.007 0.000 0.782 283 G HN 1.133 nan 8.290 nan 0.000 0.482 284 T N -2.174 112.382 114.554 0.004 0.000 2.915 284 T HA 0.044 4.394 4.350 -0.000 0.000 0.269 284 T C 2.356 177.062 174.700 0.011 0.000 1.071 284 T CA 2.026 64.132 62.100 0.009 0.000 1.132 284 T CB -0.303 68.568 68.868 0.005 0.000 0.878 284 T HN 0.958 nan 8.240 nan 0.000 0.479 285 G N 1.375 110.172 108.800 -0.004 0.000 2.421 285 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.216 285 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.216 285 G C 1.480 176.397 174.900 0.029 0.000 1.171 285 G CA 1.117 46.212 45.100 -0.008 0.000 0.775 285 G HN 0.417 nan 8.290 nan 0.000 0.543 286 M N 1.080 120.678 119.600 -0.003 0.000 2.159 286 M HA 0.011 4.490 4.480 -0.000 0.000 0.263 286 M C 1.865 178.142 176.300 -0.038 0.000 1.063 286 M CA 1.847 57.125 55.300 -0.037 0.000 1.110 286 M CB -0.591 31.969 32.600 -0.068 0.000 1.374 286 M HN 0.279 nan 8.290 nan 0.000 0.411 287 D N -0.659 119.737 120.400 -0.006 0.000 2.117 287 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 287 D C 1.906 178.229 176.300 0.038 0.000 0.987 287 D CA 1.356 55.361 54.000 0.008 0.000 0.829 287 D CB -0.097 40.717 40.800 0.024 0.000 0.961 287 D HN 0.470 nan 8.370 nan 0.000 0.460 288 L N -0.227 121.049 121.223 0.088 0.000 2.141 288 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 288 L C 2.706 179.682 176.870 0.177 0.000 1.094 288 L CA 0.582 55.521 54.840 0.164 0.000 0.763 288 L CB -0.382 41.827 42.059 0.249 0.000 0.908 288 L HN 0.083 nan 8.230 nan 0.000 0.437 289 R N -0.069 120.543 120.500 0.187 0.000 2.075 289 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 289 R C 2.346 178.505 176.300 -0.233 0.000 1.126 289 R CA 1.256 57.362 56.100 0.011 0.000 0.963 289 R CB 0.009 30.309 30.300 -0.001 0.000 0.858 289 R HN 0.210 nan 8.270 nan 0.000 0.435 290 M N 0.600 120.108 119.600 -0.152 0.000 2.159 290 M HA -0.152 4.327 4.480 -0.000 0.000 0.263 290 M C 2.219 178.509 176.300 -0.017 0.000 1.063 290 M CA 1.051 56.309 55.300 -0.070 0.000 1.110 290 M CB -0.958 31.641 32.600 -0.001 0.000 1.374 290 M HN 0.218 nan 8.290 nan 0.000 0.411 291 L N 0.463 121.675 121.223 -0.018 0.000 2.027 291 L HA -0.129 4.210 4.340 -0.000 0.000 0.206 291 L C 2.568 179.399 176.870 -0.066 0.000 1.074 291 L CA 2.433 57.271 54.840 -0.004 0.000 0.745 291 L CB -1.147 40.924 42.059 0.020 0.000 0.898 291 L HN 0.474 nan 8.230 nan 0.000 0.433 292 T N -3.328 111.140 114.554 -0.144 0.000 2.951 292 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 292 T C 1.773 176.321 174.700 -0.253 0.000 1.073 292 T CA 1.113 63.083 62.100 -0.217 0.000 1.134 292 T CB -0.598 67.996 68.868 -0.457 0.000 0.884 292 T HN 0.378 nan 8.240 nan 0.000 0.479 293 Y N 1.263 121.162 120.300 -0.668 0.000 2.153 293 Y HA 0.242 4.792 4.550 0.000 0.000 0.289 293 Y C 1.524 176.743 175.900 -1.135 0.000 1.119 293 Y CA 0.716 58.117 58.100 -1.167 0.000 1.116 293 Y CB -0.052 37.140 38.460 -2.113 0.000 1.004 293 Y HN 0.397 nan 8.280 nan 0.000 0.501 294 F N -2.869 116.966 119.950 -0.192 0.000 2.838 294 F HA 0.522 5.048 4.527 -0.001 0.000 0.329 294 F C 1.419 177.157 175.800 -0.103 0.000 1.116 294 F CA -0.211 57.653 58.000 -0.226 0.000 1.155 294 F CB 0.178 38.929 39.000 -0.414 0.000 1.106 294 F HN -0.023 nan 8.300 nan 0.000 0.538 295 G N 0.744 109.605 108.800 0.101 0.000 2.147 295 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.244 295 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.244 295 G C 0.653 175.640 174.900 0.145 0.000 1.005 295 G CA -0.035 45.127 45.100 0.103 0.000 0.713 295 G HN 0.855 nan 8.290 nan 0.000 0.515 296 G N -0.505 108.409 108.800 0.191 0.000 2.510 296 G HA2 0.864 4.823 3.960 -0.000 0.000 0.280 296 G HA3 0.864 4.823 3.960 -0.000 0.000 0.280 296 G C -0.016 174.971 174.900 0.144 0.000 1.386 296 G CA 0.008 45.219 45.100 0.184 0.000 1.047 296 G HN 1.321 nan 8.290 nan 0.000 0.527 297 K N -1.250 119.238 120.400 0.148 0.000 2.625 297 K HA 0.343 4.663 4.320 -0.000 0.000 0.284 297 K C -1.379 175.293 176.600 0.120 0.000 0.984 297 K CA -0.900 55.451 56.287 0.107 0.000 0.865 297 K CB 1.623 34.179 32.500 0.093 0.000 1.468 297 K HN 0.334 nan 8.250 nan 0.000 0.407 298 E N 1.780 122.026 120.200 0.076 0.000 2.331 298 E HA 0.266 4.616 4.350 -0.000 0.000 0.272 298 E C -0.583 176.070 176.600 0.088 0.000 1.036 298 E CA -0.423 56.028 56.400 0.085 0.000 0.864 298 E CB 1.377 31.101 29.700 0.041 0.000 1.035 298 E HN 0.370 nan 8.360 nan 0.000 0.408 299 R N 0.405 120.965 120.500 0.100 0.000 2.892 299 R HA 0.391 4.731 4.340 -0.000 0.000 0.265 299 R C -0.065 176.273 176.300 0.064 0.000 1.025 299 R CA -0.688 55.458 56.100 0.078 0.000 0.982 299 R CB 1.698 32.047 30.300 0.081 0.000 1.185 299 R HN 0.594 nan 8.270 nan 0.000 0.484 300 S N 0.459 116.188 115.700 0.049 0.000 2.713 300 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 300 S C 1.133 175.754 174.600 0.034 0.000 1.161 300 S CA -0.865 57.358 58.200 0.039 0.000 0.999 300 S CB 0.803 64.021 63.200 0.030 0.000 1.039 300 S HN 0.424 nan 8.310 nan 0.000 0.548 301 L N 0.917 122.156 121.223 0.026 0.000 2.042 301 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 301 L C 2.942 179.823 176.870 0.018 0.000 1.076 301 L CA 2.490 57.342 54.840 0.020 0.000 0.749 301 L CB -2.207 39.859 42.059 0.011 0.000 0.893 301 L HN 1.001 nan 8.230 nan 0.000 0.432 302 A N -0.266 122.564 122.820 0.017 0.000 1.873 302 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 302 A C 2.146 179.741 177.584 0.020 0.000 1.193 302 A CA 1.956 54.003 52.037 0.016 0.000 0.629 302 A CB -0.561 18.448 19.000 0.015 0.000 0.826 302 A HN 0.532 nan 8.150 nan 0.000 0.447 303 E N -0.277 119.939 120.200 0.027 0.000 2.077 303 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 303 E C 1.989 178.609 176.600 0.033 0.000 0.989 303 E CA 1.160 57.579 56.400 0.032 0.000 0.800 303 E CB -0.309 29.416 29.700 0.042 0.000 0.746 303 E HN 0.640 nan 8.360 nan 0.000 0.452 304 L N 0.288 121.530 121.223 0.032 0.000 2.093 304 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 304 L C 2.604 179.483 176.870 0.016 0.000 1.085 304 L CA 1.104 55.960 54.840 0.027 0.000 0.755 304 L CB -0.724 41.350 42.059 0.026 0.000 0.904 304 L HN 0.243 nan 8.230 nan 0.000 0.435 305 G N -0.432 108.377 108.800 0.014 0.000 2.440 305 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 305 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 305 G C 1.478 176.383 174.900 0.009 0.000 1.154 305 G CA 0.787 45.893 45.100 0.009 0.000 0.767 305 G HN 0.438 nan 8.290 nan 0.000 0.552 306 E N -0.147 120.061 120.200 0.013 0.000 2.150 306 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 306 E C 2.459 179.068 176.600 0.013 0.000 0.985 306 E CA 0.342 56.750 56.400 0.014 0.000 0.814 306 E CB -0.118 29.593 29.700 0.018 0.000 0.752 306 E HN 0.480 nan 8.360 nan 0.000 0.466 307 L N 0.026 121.258 121.223 0.015 0.000 2.095 307 L HA -0.036 4.304 4.340 -0.000 0.000 0.204 307 L C 2.686 179.556 176.870 -0.001 0.000 1.080 307 L CA 0.815 55.662 54.840 0.012 0.000 0.759 307 L CB -0.517 41.552 42.059 0.017 0.000 0.914 307 L HN 0.159 nan 8.230 nan 0.000 0.439 308 A N 0.474 123.292 122.820 -0.003 0.000 1.908 308 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 308 A C 2.553 180.131 177.584 -0.010 0.000 1.181 308 A CA 1.868 53.898 52.037 -0.011 0.000 0.627 308 A CB -0.659 18.336 19.000 -0.009 0.000 0.818 308 A HN 0.406 nan 8.150 nan 0.000 0.445 309 A N -0.825 121.993 122.820 -0.003 0.000 1.865 309 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 309 A C 2.027 179.609 177.584 -0.004 0.000 1.191 309 A CA 1.665 53.700 52.037 -0.003 0.000 0.623 309 A CB -0.663 18.338 19.000 0.001 0.000 0.826 309 A HN 0.616 nan 8.150 nan 0.000 0.444 310 Q N -1.221 118.579 119.800 -0.001 0.000 2.561 310 Q HA 0.087 4.427 4.340 -0.000 0.000 0.217 310 Q C 1.020 177.016 176.000 -0.007 0.000 0.980 310 Q CA 0.576 56.379 55.803 0.000 0.000 0.927 310 Q CB -0.198 28.545 28.738 0.007 0.000 0.980 310 Q HN 0.657 nan 8.270 nan 0.000 0.525 311 A N -1.243 121.569 122.820 -0.014 0.000 2.609 311 A HA 0.453 4.773 4.320 -0.000 0.000 0.286 311 A C 0.979 178.547 177.584 -0.027 0.000 1.138 311 A CA 0.260 52.282 52.037 -0.025 0.000 0.960 311 A CB 0.321 19.299 19.000 -0.037 0.000 1.208 311 A HN 0.277 nan 8.150 nan 0.000 0.541 312 G N -0.342 108.447 108.800 -0.019 0.000 2.179 312 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.257 312 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.257 312 G C 0.034 174.923 174.900 -0.019 0.000 1.010 312 G CA 0.933 46.022 45.100 -0.018 0.000 0.736 312 G HN 0.553 nan 8.290 nan 0.000 0.513 313 L N -0.909 120.303 121.223 -0.019 0.000 2.271 313 L HA 0.945 5.285 4.340 -0.000 0.000 0.265 313 L C 0.350 177.214 176.870 -0.010 0.000 1.013 313 L CA -0.731 54.099 54.840 -0.017 0.000 0.820 313 L CB 2.243 44.288 42.059 -0.024 0.000 1.352 313 L HN 0.504 nan 8.230 nan 0.000 0.443 314 A N 0.344 123.160 122.820 -0.006 0.000 2.513 314 A HA 0.598 4.918 4.320 -0.000 0.000 0.296 314 A C -1.101 176.482 177.584 -0.001 0.000 1.052 314 A CA -0.485 51.550 52.037 -0.003 0.000 0.714 314 A CB 1.311 20.309 19.000 -0.003 0.000 1.279 314 A HN 0.274 nan 8.150 nan 0.000 0.397 315 V N 3.739 123.653 119.914 -0.001 0.000 2.599 315 V HA 0.113 4.233 4.120 -0.000 0.000 0.300 315 V C 1.144 177.238 176.094 -0.001 0.000 1.034 315 V CA 0.311 62.611 62.300 0.000 0.000 1.115 315 V CB 0.419 32.241 31.823 -0.001 0.000 0.934 315 V HN 0.969 nan 8.190 nan 0.000 0.485 316 R N 2.507 123.009 120.500 0.003 0.000 2.287 316 R HA 0.543 4.883 4.340 -0.000 0.000 0.197 316 R C 0.303 176.594 176.300 -0.015 0.000 0.900 316 R CA 0.854 56.954 56.100 0.000 0.000 1.052 316 R CB 0.957 31.266 30.300 0.016 0.000 1.117 316 R HN 0.775 nan 8.270 nan 0.000 0.568 317 A N 0.009 122.821 122.820 -0.014 0.000 2.588 317 A HA 0.799 5.119 4.320 -0.000 0.000 0.290 317 A C -1.664 175.878 177.584 -0.071 0.000 1.136 317 A CA -0.103 51.883 52.037 -0.085 0.000 0.681 317 A CB 1.654 20.592 19.000 -0.103 0.000 1.282 317 A HN 0.057 nan 8.150 nan 0.000 0.421 318 A N 1.202 123.915 122.820 -0.178 0.000 2.771 318 A HA 0.583 4.903 4.320 -0.000 0.000 0.301 318 A C -1.333 176.204 177.584 -0.078 0.000 1.194 318 A CA -0.505 51.502 52.037 -0.050 0.000 0.837 318 A CB -0.402 18.581 19.000 -0.029 0.000 1.438 318 A HN 1.011 nan 8.150 nan 0.000 0.436 319 H N 2.219 121.294 119.070 0.008 0.000 2.620 319 H HA 0.505 5.061 4.556 -0.000 0.000 0.313 319 H C -2.464 172.863 175.328 -0.001 0.000 1.075 319 H CA -1.856 54.199 56.048 0.012 0.000 1.397 319 H CB 0.580 30.367 29.762 0.040 0.000 1.446 319 H HN 0.404 nan 8.280 nan 0.000 0.493 320 P HA 0.199 nan 4.420 nan 0.000 0.285 320 P C -0.658 176.662 177.300 0.032 0.000 1.259 320 P CA -0.651 62.473 63.100 0.040 0.000 0.794 320 P CB 1.197 32.902 31.700 0.009 0.000 0.940 321 I N -0.717 119.851 120.570 -0.003 0.000 2.500 321 I HA 0.565 4.735 4.170 -0.000 0.000 0.286 321 I C 0.392 176.466 176.117 -0.072 0.000 1.063 321 I CA -0.336 60.953 61.300 -0.018 0.000 1.062 321 I CB 1.526 39.531 38.000 0.009 0.000 1.223 321 I HN 0.498 nan 8.210 nan 0.000 0.435 322 S N 4.213 119.834 115.700 -0.131 0.000 3.938 322 S HA -0.323 4.147 4.470 -0.000 0.000 0.624 322 S C 0.721 175.123 174.600 -0.330 0.000 2.186 322 S CA 1.826 59.843 58.200 -0.305 0.000 4.144 322 S CB -1.155 61.957 63.200 -0.146 0.000 0.230 322 S HN 0.852 nan 8.310 nan 0.000 0.755 323 Y N 1.280 121.577 120.300 -0.006 0.000 2.462 323 Y HA 0.506 5.056 4.550 -0.000 0.000 0.293 323 Y C 0.741 176.643 175.900 0.004 0.000 1.195 323 Y CA 0.192 58.274 58.100 -0.031 0.000 1.276 323 Y CB -0.042 38.361 38.460 -0.095 0.000 1.082 323 Y HN 0.309 nan 8.280 nan 0.000 0.514 324 V N -1.860 118.099 119.914 0.076 0.000 3.119 324 V HA 0.610 4.730 4.120 -0.000 0.000 0.311 324 V C -0.176 175.907 176.094 -0.018 0.000 1.259 324 V CA -1.120 61.188 62.300 0.015 0.000 1.067 324 V CB 2.099 33.852 31.823 -0.116 0.000 1.123 324 V HN -0.023 nan 8.190 nan 0.000 0.463 325 S N 0.122 115.812 115.700 -0.017 0.000 2.595 325 S HA 0.735 5.205 4.470 -0.000 0.000 0.281 325 S C -1.064 173.538 174.600 0.003 0.000 1.117 325 S CA -0.463 57.742 58.200 0.007 0.000 0.873 325 S CB 1.843 65.060 63.200 0.029 0.000 1.108 325 S HN 0.500 nan 8.310 nan 0.000 0.477 326 I N 2.033 122.625 120.570 0.037 0.000 2.382 326 I HA 0.371 4.541 4.170 -0.000 0.000 0.285 326 I C -1.029 175.121 176.117 0.056 0.000 1.007 326 I CA -0.769 60.536 61.300 0.008 0.000 1.142 326 I CB 1.503 39.457 38.000 -0.076 0.000 1.289 326 I HN 0.217 nan 8.210 nan 0.000 0.453 327 V N 6.077 126.001 119.914 0.017 0.000 2.333 327 V HA 0.186 4.306 4.120 -0.000 0.000 0.274 327 V C 0.304 176.399 176.094 0.002 0.000 1.028 327 V CA -0.547 61.767 62.300 0.024 0.000 0.851 327 V CB 1.246 33.078 31.823 0.016 0.000 1.000 327 V HN 0.723 nan 8.190 nan 0.000 0.456 328 E N 5.957 126.176 120.200 0.032 0.000 2.130 328 E HA 0.492 4.842 4.350 -0.000 0.000 0.284 328 E C -0.674 175.940 176.600 0.023 0.000 1.018 328 E CA -0.400 56.013 56.400 0.022 0.000 0.817 328 E CB 0.740 30.510 29.700 0.118 0.000 1.078 328 E HN 0.638 nan 8.360 nan 0.000 0.396 329 M N 2.507 122.112 119.600 0.009 0.000 2.644 329 M HA 0.439 4.919 4.480 -0.000 0.000 0.316 329 M C -0.328 175.980 176.300 0.013 0.000 1.200 329 M CA -0.591 54.713 55.300 0.008 0.000 0.944 329 M CB 2.454 35.051 32.600 -0.004 0.000 1.691 329 M HN 0.384 nan 8.290 nan 0.000 0.471 330 T N 0.388 114.948 114.554 0.009 0.000 2.864 330 T HA 0.650 5.000 4.350 -0.000 0.000 0.299 330 T C -0.945 173.755 174.700 -0.000 0.000 1.166 330 T CA -0.664 61.442 62.100 0.011 0.000 1.007 330 T CB 1.914 70.792 68.868 0.018 0.000 1.219 330 T HN 0.753 nan 8.240 nan 0.000 0.506 331 A N 1.613 124.432 122.820 -0.002 0.000 2.425 331 A HA 0.622 4.942 4.320 -0.000 0.000 0.242 331 A C 0.283 177.864 177.584 -0.004 0.000 1.077 331 A CA -0.190 51.842 52.037 -0.009 0.000 0.781 331 A CB -0.168 18.827 19.000 -0.010 0.000 1.020 331 A HN 0.777 nan 8.150 nan 0.000 0.494 332 L N 0.000 121.219 121.223 -0.007 0.000 2.949 332 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 332 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 332 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 332 L HN 0.000 nan 8.230 nan 0.000 0.502