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 3kfb_1_H DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE IKETETDAEI RITDPAKLME DATA SEQUENCE FIEQEEKMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.478 175.510 -0.053 0.000 1.280 11 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 11 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 12 M N 0.776 120.334 119.600 -0.069 0.000 2.817 12 M HA 0.250 4.730 4.480 0.000 0.000 0.228 12 M C -0.280 175.958 176.300 -0.103 0.000 1.644 12 M CA 0.576 55.834 55.300 -0.070 0.000 1.177 12 M CB 0.642 33.208 32.600 -0.056 0.000 1.302 12 M HN 0.229 nan 8.290 nan 0.000 0.565 13 K N 1.179 121.488 120.400 -0.152 0.000 2.507 13 K HA 0.520 4.841 4.320 0.000 0.000 0.252 13 K C -1.041 175.310 176.600 -0.414 0.000 0.943 13 K CA -0.397 55.728 56.287 -0.270 0.000 0.808 13 K CB 2.902 35.247 32.500 -0.259 0.000 1.142 13 K HN 0.012 nan 8.250 nan 0.000 0.426 14 R N 3.089 123.305 120.500 -0.474 0.000 2.514 14 R HA 0.311 4.651 4.340 0.000 0.000 0.296 14 R C -1.547 174.484 176.300 -0.449 0.000 1.012 14 R CA -0.625 55.221 56.100 -0.422 0.000 0.897 14 R CB 0.894 31.082 30.300 -0.186 0.000 1.184 14 R HN 0.459 nan 8.270 nan 0.000 0.440 15 Y N 3.948 124.245 120.300 -0.005 0.000 2.328 15 Y HA 0.403 4.953 4.550 0.000 0.000 0.337 15 Y C 0.324 176.223 175.900 -0.001 0.000 1.008 15 Y CA -0.937 57.163 58.100 -0.001 0.000 1.129 15 Y CB 1.488 39.952 38.460 0.007 0.000 1.185 15 Y HN 0.234 nan 8.280 nan 0.000 0.476 16 M N 2.851 122.532 119.600 0.135 0.000 2.180 16 M HA 0.326 4.806 4.480 0.000 0.000 0.350 16 M C 1.114 177.446 176.300 0.055 0.000 1.125 16 M CA -0.050 55.290 55.300 0.067 0.000 1.031 16 M CB 0.834 33.457 32.600 0.038 0.000 1.623 16 M HN 0.984 nan 8.290 nan 0.000 0.451 17 G N 4.585 113.406 108.800 0.035 0.000 2.774 17 G HA2 -0.413 3.547 3.960 0.000 0.000 0.342 17 G HA3 -0.413 3.547 3.960 0.000 0.000 0.342 17 G C 1.081 175.984 174.900 0.005 0.000 1.185 17 G CA 1.083 46.188 45.100 0.009 0.000 0.956 17 G HN 0.696 nan 8.290 nan 0.000 0.561 18 R N 0.914 121.413 120.500 -0.002 0.000 2.148 18 R HA 0.094 4.434 4.340 0.000 0.000 0.227 18 R C 2.179 178.477 176.300 -0.003 0.000 1.103 18 R CA 1.574 57.668 56.100 -0.010 0.000 0.983 18 R CB -0.266 30.026 30.300 -0.013 0.000 0.874 18 R HN 0.532 nan 8.270 nan 0.000 0.451 19 D N 0.388 120.799 120.400 0.018 0.000 2.137 19 D HA -0.033 4.607 4.640 0.000 0.000 0.202 19 D C 1.846 178.150 176.300 0.006 0.000 0.970 19 D CA 1.474 55.483 54.000 0.015 0.000 0.837 19 D CB -0.251 40.591 40.800 0.071 0.000 0.981 19 D HN 0.224 nan 8.370 nan 0.000 0.475 20 A N 0.791 123.655 122.820 0.072 0.000 1.898 20 A HA -0.199 4.121 4.320 0.000 0.000 0.216 20 A C 2.118 179.724 177.584 0.036 0.000 1.181 20 A CA 1.301 53.394 52.037 0.093 0.000 0.620 20 A CB -0.582 18.497 19.000 0.130 0.000 0.819 20 A HN 0.175 nan 8.150 nan 0.000 0.442 21 Q N -1.129 118.679 119.800 0.014 0.000 2.084 21 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 21 Q C 2.352 178.340 176.000 -0.019 0.000 0.978 21 Q CA 1.615 57.416 55.803 -0.004 0.000 0.844 21 Q CB -0.130 28.596 28.738 -0.019 0.000 0.898 21 Q HN 0.660 nan 8.270 nan 0.000 0.426 22 R N -0.171 120.311 120.500 -0.031 0.000 2.153 22 R HA -0.075 4.265 4.340 0.000 0.000 0.218 22 R C 2.100 178.360 176.300 -0.067 0.000 1.072 22 R CA 0.728 56.800 56.100 -0.046 0.000 0.990 22 R CB 0.030 30.303 30.300 -0.046 0.000 0.889 22 R HN 0.170 nan 8.270 nan 0.000 0.452 23 M N 1.032 120.585 119.600 -0.079 0.000 2.086 23 M HA -0.138 4.342 4.480 0.000 0.000 0.261 23 M C 1.254 177.522 176.300 -0.054 0.000 1.067 23 M CA 1.804 57.048 55.300 -0.093 0.000 1.116 23 M CB -0.222 32.267 32.600 -0.184 0.000 1.348 23 M HN 0.088 nan 8.290 nan 0.000 0.407 24 N N 0.118 118.811 118.700 -0.012 0.000 2.109 24 N HA -0.022 4.718 4.740 0.000 0.000 0.188 24 N C 1.872 177.332 175.510 -0.084 0.000 1.034 24 N CA 1.755 54.792 53.050 -0.023 0.000 0.846 24 N CB -0.581 37.928 38.487 0.037 0.000 1.010 24 N HN 0.414 nan 8.380 nan 0.000 0.425 25 I N 0.942 121.479 120.570 -0.054 0.000 2.248 25 I HA -0.246 3.924 4.170 0.000 0.000 0.248 25 I C 2.252 178.324 176.117 -0.075 0.000 1.107 25 I CA 0.831 62.101 61.300 -0.050 0.000 1.373 25 I CB -0.129 37.851 38.000 -0.034 0.000 1.055 25 I HN 0.113 nan 8.210 nan 0.000 0.418 26 L N 0.409 121.574 121.223 -0.097 0.000 2.072 26 L HA -0.144 4.196 4.340 0.000 0.000 0.205 26 L C 2.726 179.501 176.870 -0.159 0.000 1.079 26 L CA 1.417 56.192 54.840 -0.108 0.000 0.752 26 L CB -0.281 41.717 42.059 -0.102 0.000 0.906 26 L HN 0.196 nan 8.230 nan 0.000 0.436 27 A N -0.389 122.267 122.820 -0.273 0.000 1.972 27 A HA -0.138 4.182 4.320 0.000 0.000 0.219 27 A C 2.225 179.671 177.584 -0.230 0.000 1.169 27 A CA 1.631 53.422 52.037 -0.410 0.000 0.635 27 A CB -1.210 17.161 19.000 -1.048 0.000 0.810 27 A HN 0.536 nan 8.150 nan 0.000 0.446 28 G N -0.966 107.739 108.800 -0.157 0.000 2.396 28 G HA2 -0.132 3.828 3.960 0.000 0.000 0.214 28 G HA3 -0.132 3.828 3.960 0.000 0.000 0.214 28 G C 1.732 176.590 174.900 -0.069 0.000 1.166 28 G CA 0.590 45.637 45.100 -0.088 0.000 0.793 28 G HN 0.517 nan 8.290 nan 0.000 0.533 29 R N -0.444 120.014 120.500 -0.070 0.000 2.148 29 R HA 0.141 4.481 4.340 0.000 0.000 0.227 29 R C 2.329 178.595 176.300 -0.057 0.000 1.103 29 R CA 0.706 56.772 56.100 -0.056 0.000 0.983 29 R CB -0.251 30.019 30.300 -0.051 0.000 0.874 29 R HN 0.387 nan 8.270 nan 0.000 0.451 30 I N 1.019 121.547 120.570 -0.071 0.000 2.584 30 I HA -0.148 4.022 4.170 0.000 0.000 0.255 30 I C 2.036 178.123 176.117 -0.050 0.000 1.145 30 I CA 0.832 62.095 61.300 -0.061 0.000 1.462 30 I CB 0.215 38.173 38.000 -0.071 0.000 1.102 30 I HN 0.122 nan 8.210 nan 0.000 0.433 31 I N -1.913 118.625 120.570 -0.053 0.000 3.059 31 I HA 0.117 4.287 4.170 0.000 0.000 0.270 31 I C 2.243 178.340 176.117 -0.032 0.000 1.238 31 I CA 0.933 62.211 61.300 -0.037 0.000 1.478 31 I CB -0.424 37.558 38.000 -0.031 0.000 1.097 31 I HN -0.015 nan 8.210 nan 0.000 0.455 32 A N 1.386 124.184 122.820 -0.038 0.000 2.067 32 A HA -0.038 4.282 4.320 0.000 0.000 0.217 32 A C 2.122 179.686 177.584 -0.034 0.000 1.156 32 A CA 1.113 53.129 52.037 -0.035 0.000 0.683 32 A CB -0.475 18.502 19.000 -0.039 0.000 0.808 32 A HN 0.574 nan 8.150 nan 0.000 0.455 33 E N -0.914 119.266 120.200 -0.034 0.000 2.442 33 E HA -0.027 4.323 4.350 0.000 0.000 0.195 33 E C 1.389 177.973 176.600 -0.027 0.000 1.030 33 E CA 0.793 57.175 56.400 -0.031 0.000 0.869 33 E CB 0.034 29.715 29.700 -0.032 0.000 0.857 33 E HN 0.530 nan 8.360 nan 0.000 0.505 34 T N 0.369 114.908 114.554 -0.025 0.000 2.985 34 T HA -0.083 4.267 4.350 0.000 0.000 0.266 34 T C 1.928 176.617 174.700 -0.019 0.000 1.076 34 T CA 1.169 63.257 62.100 -0.020 0.000 1.135 34 T CB 0.169 69.027 68.868 -0.018 0.000 0.890 34 T HN 0.171 nan 8.240 nan 0.000 0.480 35 V N -1.128 118.774 119.914 -0.020 0.000 3.660 35 V HA 0.355 4.476 4.120 0.000 0.000 0.276 35 V C 2.008 178.089 176.094 -0.022 0.000 1.317 35 V CA 0.019 62.308 62.300 -0.019 0.000 1.097 35 V CB -0.535 31.278 31.823 -0.017 0.000 0.863 35 V HN 0.162 nan 8.190 nan 0.000 0.438 36 R N 2.161 122.646 120.500 -0.025 0.000 2.127 36 R HA -0.116 4.224 4.340 0.000 0.000 0.238 36 R C 2.437 178.721 176.300 -0.028 0.000 1.134 36 R CA 1.857 57.940 56.100 -0.029 0.000 0.975 36 R CB -0.337 29.944 30.300 -0.031 0.000 0.865 36 R HN 0.788 nan 8.270 nan 0.000 0.447 37 S N -0.746 114.940 115.700 -0.024 0.000 2.607 37 S HA -0.061 4.409 4.470 0.000 0.000 0.224 37 S C 1.689 176.276 174.600 -0.021 0.000 0.969 37 S CA 1.012 59.197 58.200 -0.023 0.000 0.927 37 S CB 0.090 63.278 63.200 -0.021 0.000 0.772 37 S HN 0.407 nan 8.310 nan 0.000 0.533 38 T N -0.774 113.768 114.554 -0.019 0.000 3.065 38 T HA 0.315 4.665 4.350 0.000 0.000 0.252 38 T C 0.470 175.159 174.700 -0.017 0.000 1.099 38 T CA -0.395 61.696 62.100 -0.015 0.000 1.063 38 T CB -0.482 68.379 68.868 -0.011 0.000 0.948 38 T HN 0.384 nan 8.240 nan 0.000 0.506 39 L N 2.245 123.454 121.223 -0.024 0.000 2.361 39 L HA 0.543 4.883 4.340 0.000 0.000 0.278 39 L C 0.745 177.594 176.870 -0.035 0.000 1.113 39 L CA 1.038 55.861 54.840 -0.027 0.000 0.849 39 L CB -0.251 41.789 42.059 -0.032 0.000 1.155 39 L HN 0.707 nan 8.230 nan 0.000 0.452 40 G N 4.142 112.924 108.800 -0.030 0.000 2.541 40 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 40 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 40 G C -2.646 172.235 174.900 -0.030 0.000 1.286 40 G CA -0.483 44.591 45.100 -0.044 0.000 0.894 40 G HN 0.439 nan 8.290 nan 0.000 0.575 41 P HA 0.079 nan 4.420 nan 0.000 0.221 41 P C 1.274 178.563 177.300 -0.019 0.000 1.150 41 P CA 1.149 64.254 63.100 0.009 0.000 0.800 41 P CB 0.168 31.882 31.700 0.024 0.000 0.787 42 K N -0.246 120.097 120.400 -0.096 0.000 2.446 42 K HA 0.267 4.587 4.320 0.000 0.000 0.203 42 K C 1.036 177.609 176.600 -0.045 0.000 1.027 42 K CA -0.010 56.231 56.287 -0.076 0.000 1.166 42 K CB 0.246 32.666 32.500 -0.132 0.000 0.869 42 K HN 0.086 nan 8.250 nan 0.000 0.504 43 G N 0.789 109.570 108.800 -0.032 0.000 2.537 43 G HA2 0.396 4.356 3.960 0.000 0.000 0.273 43 G HA3 0.396 4.356 3.960 0.000 0.000 0.273 43 G C -0.006 174.888 174.900 -0.010 0.000 1.189 43 G CA -0.478 44.608 45.100 -0.023 0.000 0.881 43 G HN -0.053 nan 8.290 nan 0.000 0.535 44 M N 0.530 120.123 119.600 -0.011 0.000 2.578 44 M HA 0.335 4.816 4.480 0.000 0.000 0.321 44 M C -0.885 175.412 176.300 -0.006 0.000 1.182 44 M CA -0.769 54.527 55.300 -0.007 0.000 0.965 44 M CB 1.928 34.523 32.600 -0.009 0.000 1.694 44 M HN 0.369 nan 8.290 nan 0.000 0.461 45 D N 1.625 122.023 120.400 -0.004 0.000 2.348 45 D HA 0.418 5.058 4.640 0.000 0.000 0.249 45 D C -0.187 176.108 176.300 -0.009 0.000 1.110 45 D CA -0.099 53.898 54.000 -0.004 0.000 0.967 45 D CB 1.065 41.864 40.800 -0.002 0.000 1.139 45 D HN 0.175 nan 8.370 nan 0.000 0.466 46 K N 0.549 120.943 120.400 -0.010 0.000 2.259 46 K HA 0.457 4.777 4.320 0.000 0.000 0.249 46 K C -0.560 176.029 176.600 -0.019 0.000 0.942 46 K CA -0.773 55.506 56.287 -0.014 0.000 0.816 46 K CB 2.474 34.967 32.500 -0.011 0.000 1.155 46 K HN 0.402 nan 8.250 nan 0.000 0.428 47 M N 3.370 122.955 119.600 -0.025 0.000 2.114 47 M HA 0.290 4.770 4.480 0.000 0.000 0.332 47 M C -1.647 174.636 176.300 -0.029 0.000 1.014 47 M CA -0.873 54.405 55.300 -0.036 0.000 0.956 47 M CB 0.506 33.078 32.600 -0.046 0.000 1.551 47 M HN 0.357 nan 8.290 nan 0.000 0.427 48 L N 6.180 127.387 121.223 -0.026 0.000 2.287 48 L HA 0.616 4.957 4.340 0.000 0.000 0.287 48 L C -0.800 176.061 176.870 -0.015 0.000 1.022 48 L CA -0.372 54.459 54.840 -0.015 0.000 0.814 48 L CB 1.757 43.813 42.059 -0.005 0.000 1.217 48 L HN 0.453 nan 8.230 nan 0.000 0.420 49 V N 1.906 121.813 119.914 -0.011 0.000 2.628 49 V HA 0.589 4.709 4.120 0.000 0.000 0.306 49 V C -0.349 175.746 176.094 0.001 0.000 1.045 49 V CA -0.773 61.523 62.300 -0.007 0.000 0.905 49 V CB 1.855 33.671 31.823 -0.011 0.000 0.997 49 V HN 0.833 nan 8.190 nan 0.000 0.436 50 D N 1.600 122.004 120.400 0.006 0.000 2.589 50 D HA 0.217 4.857 4.640 0.000 0.000 0.268 50 D C 0.563 176.867 176.300 0.008 0.000 1.182 50 D CA -0.180 53.825 54.000 0.008 0.000 1.087 50 D CB 0.331 41.138 40.800 0.012 0.000 1.186 50 D HN 0.516 nan 8.370 nan 0.000 0.620 51 D N -0.961 119.444 120.400 0.008 0.000 2.277 51 D HA -0.048 4.592 4.640 0.000 0.000 0.208 51 D C 1.804 178.109 176.300 0.008 0.000 0.962 51 D CA 0.623 54.627 54.000 0.007 0.000 0.865 51 D CB -0.334 40.471 40.800 0.007 0.000 0.939 51 D HN 0.255 nan 8.370 nan 0.000 0.510 52 L N -0.772 120.457 121.223 0.011 0.000 2.509 52 L HA 0.324 4.664 4.340 0.000 0.000 0.222 52 L C 1.650 178.528 176.870 0.014 0.000 1.123 52 L CA 0.570 55.418 54.840 0.012 0.000 0.856 52 L CB 0.125 42.192 42.059 0.014 0.000 0.985 52 L HN 0.395 nan 8.230 nan 0.000 0.456 53 G N -0.771 108.037 108.800 0.013 0.000 2.176 53 G HA2 -0.214 3.746 3.960 0.000 0.000 0.232 53 G HA3 -0.214 3.746 3.960 0.000 0.000 0.232 53 G C -0.150 174.762 174.900 0.021 0.000 0.986 53 G CA -0.277 44.831 45.100 0.013 0.000 0.643 53 G HN 0.272 nan 8.290 nan 0.000 0.522 54 D N 0.748 121.165 120.400 0.028 0.000 2.358 54 D HA 0.383 5.023 4.640 0.000 0.000 0.258 54 D C 0.367 176.693 176.300 0.043 0.000 1.223 54 D CA 0.255 54.284 54.000 0.048 0.000 0.886 54 D CB 2.005 42.833 40.800 0.047 0.000 1.120 54 D HN 0.334 nan 8.370 nan 0.000 0.482 55 V N 3.499 123.442 119.914 0.048 0.000 2.472 55 V HA 0.482 4.602 4.120 0.000 0.000 0.290 55 V C -0.737 175.358 176.094 0.003 0.000 1.037 55 V CA -0.497 61.790 62.300 -0.022 0.000 0.908 55 V CB 1.938 33.689 31.823 -0.120 0.000 0.985 55 V HN 0.238 nan 8.190 nan 0.000 0.454 56 V N 7.057 126.963 119.914 -0.013 0.000 2.525 56 V HA 0.538 4.658 4.120 0.000 0.000 0.299 56 V C -0.706 175.375 176.094 -0.021 0.000 1.034 56 V CA -0.307 62.010 62.300 0.028 0.000 0.863 56 V CB 2.245 34.118 31.823 0.082 0.000 0.999 56 V HN 0.767 nan 8.190 nan 0.000 0.423 57 V N 6.045 125.937 119.914 -0.038 0.000 2.370 57 V HA 0.713 4.833 4.120 0.000 0.000 0.279 57 V C 0.223 176.322 176.094 0.009 0.000 1.029 57 V CA 0.067 62.348 62.300 -0.031 0.000 0.870 57 V CB 1.420 33.209 31.823 -0.057 0.000 0.984 57 V HN 0.976 nan 8.190 nan 0.000 0.451 58 T N 2.909 117.466 114.554 0.006 0.000 2.853 58 T HA 0.291 4.641 4.350 0.000 0.000 0.311 58 T C 0.258 174.961 174.700 0.006 0.000 1.307 58 T CA -0.526 61.581 62.100 0.012 0.000 1.019 58 T CB 1.940 70.818 68.868 0.017 0.000 1.264 58 T HN 0.610 nan 8.240 nan 0.000 0.497 59 N N 1.432 120.137 118.700 0.008 0.000 2.220 59 N HA 0.064 4.804 4.740 0.000 0.000 0.195 59 N C -0.389 175.123 175.510 0.004 0.000 1.123 59 N CA -0.033 53.020 53.050 0.005 0.000 0.874 59 N CB 0.369 38.860 38.487 0.008 0.000 0.995 59 N HN 0.629 nan 8.380 nan 0.000 0.498 60 D N -0.286 120.117 120.400 0.006 0.000 2.371 60 D HA 0.167 4.807 4.640 0.000 0.000 0.256 60 D C 1.356 177.657 176.300 0.002 0.000 1.193 60 D CA 0.141 54.144 54.000 0.005 0.000 0.881 60 D CB 1.137 41.942 40.800 0.008 0.000 1.143 60 D HN 0.262 nan 8.370 nan 0.000 0.473 61 G N 2.628 111.427 108.800 -0.001 0.000 2.453 61 G HA2 -0.235 3.725 3.960 0.000 0.000 0.215 61 G HA3 -0.235 3.725 3.960 0.000 0.000 0.215 61 G C 1.570 176.469 174.900 -0.002 0.000 1.201 61 G CA 0.679 45.776 45.100 -0.004 0.000 0.784 61 G HN 0.494 nan 8.290 nan 0.000 0.545 62 V N 1.857 121.771 119.914 -0.000 0.000 2.324 62 V HA -0.218 3.902 4.120 0.000 0.000 0.250 62 V C 3.271 179.367 176.094 0.003 0.000 1.060 62 V CA 3.390 65.690 62.300 0.001 0.000 1.042 62 V CB -0.872 30.953 31.823 0.002 0.000 0.650 62 V HN 0.642 nan 8.190 nan 0.000 0.450 63 T N -2.031 112.526 114.554 0.005 0.000 2.915 63 T HA -0.095 4.255 4.350 0.000 0.000 0.269 63 T C 1.781 176.485 174.700 0.007 0.000 1.071 63 T CA 1.747 63.852 62.100 0.007 0.000 1.132 63 T CB -0.499 68.376 68.868 0.011 0.000 0.878 63 T HN 0.516 nan 8.240 nan 0.000 0.479 64 I N 0.864 121.436 120.570 0.004 0.000 2.163 64 I HA -0.062 4.108 4.170 0.000 0.000 0.240 64 I C 2.528 178.647 176.117 0.002 0.000 1.081 64 I CA 1.217 62.519 61.300 0.002 0.000 1.353 64 I CB -0.389 37.610 38.000 -0.001 0.000 1.054 64 I HN 0.183 nan 8.210 nan 0.000 0.407 65 L N 0.111 121.335 121.223 0.001 0.000 2.083 65 L HA -0.192 4.148 4.340 0.000 0.000 0.209 65 L C 2.780 179.654 176.870 0.006 0.000 1.083 65 L CA 1.354 56.195 54.840 0.002 0.000 0.752 65 L CB -0.606 41.453 42.059 0.001 0.000 0.899 65 L HN 0.162 nan 8.230 nan 0.000 0.433 66 R N 0.297 120.801 120.500 0.007 0.000 2.066 66 R HA -0.106 4.234 4.340 0.000 0.000 0.232 66 R C 0.856 177.162 176.300 0.009 0.000 1.131 66 R CA 1.164 57.269 56.100 0.008 0.000 0.955 66 R CB -0.073 30.232 30.300 0.008 0.000 0.851 66 R HN 0.409 nan 8.270 nan 0.000 0.432 67 E N 0.919 121.124 120.200 0.009 0.000 2.411 67 E HA 0.115 4.465 4.350 0.000 0.000 0.228 67 E C -0.322 176.284 176.600 0.009 0.000 1.169 67 E CA -0.207 56.200 56.400 0.011 0.000 1.421 67 E CB 0.402 30.109 29.700 0.013 0.000 1.333 67 E HN 0.257 nan 8.360 nan 0.000 0.434 68 M N -2.301 117.304 119.600 0.009 0.000 2.446 68 M HA 0.480 4.960 4.480 0.000 0.000 0.294 68 M C -0.791 175.516 176.300 0.011 0.000 1.158 68 M CA -0.794 54.511 55.300 0.008 0.000 0.899 68 M CB 2.143 34.746 32.600 0.006 0.000 1.687 68 M HN -0.325 nan 8.290 nan 0.000 0.455 69 S N 2.536 118.243 115.700 0.012 0.000 2.686 69 S HA 0.321 4.791 4.470 0.000 0.000 0.324 69 S C -0.246 174.366 174.600 0.020 0.000 1.172 69 S CA -0.511 57.698 58.200 0.015 0.000 1.127 69 S CB -0.686 62.522 63.200 0.013 0.000 1.338 69 S HN 0.454 nan 8.310 nan 0.000 0.547 70 V N 3.979 123.907 119.914 0.024 0.000 2.394 70 V HA 0.322 4.442 4.120 0.000 0.000 0.282 70 V C 0.800 176.920 176.094 0.044 0.000 1.031 70 V CA -0.407 61.914 62.300 0.034 0.000 0.881 70 V CB 1.588 33.430 31.823 0.031 0.000 0.982 70 V HN 0.664 nan 8.190 nan 0.000 0.451 71 E N 1.020 121.256 120.200 0.059 0.000 2.453 71 E HA 0.081 4.431 4.350 0.000 0.000 0.211 71 E C 0.539 177.182 176.600 0.072 0.000 0.897 71 E CA -0.073 56.358 56.400 0.051 0.000 1.063 71 E CB 0.242 29.961 29.700 0.032 0.000 1.080 71 E HN 0.694 nan 8.360 nan 0.000 0.512 72 H N 3.907 122.984 119.070 0.013 0.000 3.026 72 H HA 0.035 4.591 4.556 0.000 0.000 0.289 72 H C -1.532 173.806 175.328 0.018 0.000 1.022 72 H CA -1.584 54.474 56.048 0.016 0.000 1.477 72 H CB 1.186 30.951 29.762 0.005 0.000 1.510 72 H HN -0.136 nan 8.280 nan 0.000 0.535 73 P HA -0.202 nan 4.420 nan 0.000 0.217 73 P C 1.100 178.520 177.300 0.199 0.000 1.151 73 P CA 1.892 65.071 63.100 0.132 0.000 0.849 73 P CB 0.116 31.848 31.700 0.052 0.000 0.787 74 A N 0.053 123.089 122.820 0.360 0.000 1.929 74 A HA 0.054 4.374 4.320 0.000 0.000 0.216 74 A C 2.461 180.078 177.584 0.055 0.000 1.176 74 A CA 1.801 53.931 52.037 0.156 0.000 0.628 74 A CB -1.351 17.706 19.000 0.096 0.000 0.816 74 A HN 0.228 nan 8.150 nan 0.000 0.444 75 A N 0.176 123.020 122.820 0.041 0.000 1.873 75 A HA -0.139 4.181 4.320 0.000 0.000 0.215 75 A C 2.050 179.654 177.584 0.034 0.000 1.186 75 A CA 1.757 53.796 52.037 0.005 0.000 0.616 75 A CB -0.463 18.532 19.000 -0.007 0.000 0.823 75 A HN 0.507 nan 8.150 nan 0.000 0.442 76 K N -0.974 119.464 120.400 0.062 0.000 2.160 76 K HA -0.103 4.217 4.320 0.000 0.000 0.206 76 K C 1.840 178.462 176.600 0.036 0.000 1.047 76 K CA 1.776 58.091 56.287 0.046 0.000 0.930 76 K CB -0.250 32.281 32.500 0.050 0.000 0.720 76 K HN 0.510 nan 8.250 nan 0.000 0.450 77 M N -0.332 119.292 119.600 0.041 0.000 2.514 77 M HA -0.029 4.451 4.480 0.000 0.000 0.258 77 M C 1.505 177.820 176.300 0.025 0.000 1.119 77 M CA 0.562 55.882 55.300 0.034 0.000 1.111 77 M CB 0.299 32.924 32.600 0.041 0.000 1.390 77 M HN 0.075 nan 8.290 nan 0.000 0.475 78 L N -0.254 120.979 121.223 0.017 0.000 2.477 78 L HA 0.126 4.466 4.340 0.000 0.000 0.220 78 L C 1.778 178.651 176.870 0.005 0.000 1.106 78 L CA 0.875 55.720 54.840 0.008 0.000 0.851 78 L CB -0.020 42.036 42.059 -0.004 0.000 0.994 78 L HN 0.183 nan 8.230 nan 0.000 0.462 79 I N -0.757 119.818 120.570 0.009 0.000 2.394 79 I HA -0.193 3.977 4.170 0.000 0.000 0.251 79 I C 1.993 178.115 176.117 0.009 0.000 1.136 79 I CA 0.659 61.963 61.300 0.007 0.000 1.425 79 I CB -0.241 37.766 38.000 0.011 0.000 1.079 79 I HN 0.248 nan 8.210 nan 0.000 0.425 80 E N 0.527 120.735 120.200 0.013 0.000 2.209 80 E HA -0.178 4.172 4.350 0.000 0.000 0.196 80 E C 2.358 178.965 176.600 0.011 0.000 0.993 80 E CA 1.139 57.547 56.400 0.013 0.000 0.819 80 E CB -0.186 29.524 29.700 0.017 0.000 0.745 80 E HN 0.383 nan 8.360 nan 0.000 0.477 81 V N 1.129 121.049 119.914 0.010 0.000 2.453 81 V HA -0.182 3.938 4.120 0.000 0.000 0.247 81 V C 2.354 178.451 176.094 0.004 0.000 1.048 81 V CA 1.688 63.992 62.300 0.008 0.000 1.049 81 V CB -0.558 31.268 31.823 0.005 0.000 0.672 81 V HN 0.251 nan 8.190 nan 0.000 0.457 82 A N -0.509 122.312 122.820 0.002 0.000 1.930 82 A HA -0.141 4.179 4.320 0.000 0.000 0.215 82 A C 2.309 179.894 177.584 0.002 0.000 1.176 82 A CA 1.591 53.629 52.037 0.000 0.000 0.632 82 A CB -0.378 18.621 19.000 -0.002 0.000 0.819 82 A HN 0.449 nan 8.150 nan 0.000 0.445 83 K N -0.171 120.232 120.400 0.005 0.000 2.147 83 K HA -0.135 4.185 4.320 0.000 0.000 0.205 83 K C 1.695 178.299 176.600 0.005 0.000 1.049 83 K CA 1.777 58.068 56.287 0.005 0.000 0.936 83 K CB -0.159 32.346 32.500 0.007 0.000 0.722 83 K HN 0.610 nan 8.250 nan 0.000 0.446 84 T N -2.294 112.264 114.554 0.006 0.000 3.122 84 T HA 0.039 4.389 4.350 0.000 0.000 0.250 84 T C 1.394 176.097 174.700 0.005 0.000 1.067 84 T CA 0.004 62.108 62.100 0.006 0.000 0.966 84 T CB 0.552 69.425 68.868 0.009 0.000 1.002 84 T HN 0.149 nan 8.240 nan 0.000 0.542 85 Q N 1.941 121.743 119.800 0.004 0.000 2.259 85 Q HA 0.046 4.386 4.340 0.000 0.000 0.201 85 Q C 2.190 178.191 176.000 0.002 0.000 0.938 85 Q CA 1.353 57.157 55.803 0.002 0.000 0.872 85 Q CB -0.068 28.670 28.738 0.001 0.000 0.971 85 Q HN 0.813 nan 8.270 nan 0.000 0.494 86 E N -0.269 119.932 120.200 0.002 0.000 2.150 86 E HA -0.228 4.122 4.350 0.000 0.000 0.193 86 E C 1.741 178.341 176.600 0.001 0.000 0.985 86 E CA 1.192 57.593 56.400 0.001 0.000 0.814 86 E CB -0.161 29.540 29.700 0.001 0.000 0.752 86 E HN 0.059 nan 8.360 nan 0.000 0.466 87 K N 0.658 121.059 120.400 0.002 0.000 2.097 87 K HA -0.109 4.211 4.320 0.000 0.000 0.206 87 K C 1.856 178.457 176.600 0.001 0.000 1.049 87 K CA 1.489 57.777 56.287 0.002 0.000 0.933 87 K CB 0.241 32.743 32.500 0.003 0.000 0.717 87 K HN 0.118 nan 8.250 nan 0.000 0.442 88 E N -1.173 119.029 120.200 0.002 0.000 2.389 88 E HA 0.063 4.413 4.350 0.000 0.000 0.199 88 E C 1.412 178.013 176.600 0.001 0.000 0.978 88 E CA 0.511 56.912 56.400 0.002 0.000 0.912 88 E CB 0.842 30.544 29.700 0.003 0.000 0.907 88 E HN 0.113 nan 8.360 nan 0.000 0.494 89 V N -1.520 118.395 119.914 0.001 0.000 3.029 89 V HA 0.335 4.455 4.120 0.000 0.000 0.230 89 V C 1.525 177.619 176.094 0.000 0.000 1.254 89 V CA 0.843 63.143 62.300 0.001 0.000 1.276 89 V CB 0.860 32.684 31.823 0.001 0.000 1.080 89 V HN 0.309 nan 8.190 nan 0.000 0.495 90 G N 0.480 109.280 108.800 0.000 0.000 2.376 90 G HA2 -0.177 3.783 3.960 0.000 0.000 0.208 90 G HA3 -0.177 3.783 3.960 0.000 0.000 0.208 90 G C -0.152 174.748 174.900 0.001 0.000 1.032 90 G CA 0.304 45.404 45.100 0.000 0.000 0.641 90 G HN 0.576 nan 8.290 nan 0.000 0.503 91 D N -0.901 119.499 120.400 0.001 0.000 2.547 91 D HA 0.600 5.240 4.640 0.000 0.000 0.231 91 D C 0.885 177.185 176.300 0.000 0.000 1.099 91 D CA 0.794 54.795 54.000 0.002 0.000 0.901 91 D CB 1.127 41.929 40.800 0.003 0.000 1.478 91 D HN 1.442 nan 8.370 nan 0.000 0.471 92 G N 0.794 109.593 108.800 -0.001 0.000 2.131 92 G HA2 -0.277 3.683 3.960 0.000 0.000 0.223 92 G HA3 -0.277 3.683 3.960 0.000 0.000 0.223 92 G C 0.939 175.835 174.900 -0.007 0.000 0.990 92 G CA 0.966 46.063 45.100 -0.005 0.000 0.671 92 G HN 0.730 nan 8.290 nan 0.000 0.521 93 T N -3.069 111.482 114.554 -0.005 0.000 2.857 93 T HA -0.024 4.326 4.350 0.000 0.000 0.266 93 T C 2.242 176.936 174.700 -0.010 0.000 1.048 93 T CA 2.416 64.513 62.100 -0.006 0.000 1.139 93 T CB -0.395 68.471 68.868 -0.003 0.000 0.874 93 T HN 0.274 nan 8.240 nan 0.000 0.455 94 T N 2.681 117.228 114.554 -0.011 0.000 2.812 94 T HA -0.078 4.272 4.350 0.000 0.000 0.264 94 T C 2.460 177.146 174.700 -0.023 0.000 1.042 94 T CA 1.837 63.928 62.100 -0.016 0.000 1.140 94 T CB -0.902 67.956 68.868 -0.016 0.000 0.870 94 T HN 0.784 nan 8.240 nan 0.000 0.445 95 T N 1.297 115.837 114.554 -0.023 0.000 2.833 95 T HA 0.002 4.352 4.350 0.000 0.000 0.269 95 T C 2.256 176.935 174.700 -0.036 0.000 1.054 95 T CA 1.060 63.142 62.100 -0.030 0.000 1.135 95 T CB -0.562 68.290 68.868 -0.027 0.000 0.869 95 T HN 0.346 nan 8.240 nan 0.000 0.466 96 A N 0.871 123.675 122.820 -0.027 0.000 1.929 96 A HA 0.166 4.486 4.320 0.000 0.000 0.216 96 A C 2.582 180.147 177.584 -0.031 0.000 1.176 96 A CA 1.242 53.263 52.037 -0.027 0.000 0.628 96 A CB -0.819 18.172 19.000 -0.014 0.000 0.816 96 A HN 0.418 nan 8.150 nan 0.000 0.444 97 V N -0.592 119.305 119.914 -0.028 0.000 2.407 97 V HA -0.157 3.963 4.120 0.000 0.000 0.245 97 V C 2.520 178.590 176.094 -0.040 0.000 1.041 97 V CA 1.706 63.989 62.300 -0.028 0.000 1.040 97 V CB -0.492 31.318 31.823 -0.022 0.000 0.671 97 V HN 0.342 nan 8.190 nan 0.000 0.455 98 V N -0.268 119.620 119.914 -0.043 0.000 2.490 98 V HA -0.191 3.929 4.120 0.000 0.000 0.250 98 V C 2.379 178.430 176.094 -0.071 0.000 1.061 98 V CA 1.640 63.909 62.300 -0.052 0.000 1.064 98 V CB -0.252 31.541 31.823 -0.049 0.000 0.670 98 V HN 0.400 nan 8.190 nan 0.000 0.461 99 V N 0.180 120.044 119.914 -0.083 0.000 2.323 99 V HA -0.186 3.934 4.120 0.000 0.000 0.244 99 V C 2.711 178.722 176.094 -0.137 0.000 1.041 99 V CA 1.811 64.035 62.300 -0.128 0.000 1.025 99 V CB -0.972 30.768 31.823 -0.139 0.000 0.656 99 V HN 0.546 nan 8.190 nan 0.000 0.451 100 A N 0.533 123.298 122.820 -0.092 0.000 1.948 100 A HA -0.157 4.163 4.320 0.000 0.000 0.220 100 A C 2.383 179.938 177.584 -0.048 0.000 1.177 100 A CA 2.128 54.128 52.037 -0.062 0.000 0.636 100 A CB -1.204 17.778 19.000 -0.030 0.000 0.815 100 A HN 0.542 nan 8.150 nan 0.000 0.449 101 G N -0.727 108.043 108.800 -0.051 0.000 2.404 101 G HA2 -0.216 3.744 3.960 0.000 0.000 0.215 101 G HA3 -0.216 3.744 3.960 0.000 0.000 0.215 101 G C 1.449 176.321 174.900 -0.046 0.000 1.174 101 G CA 1.197 46.270 45.100 -0.044 0.000 0.780 101 G HN 0.576 nan 8.290 nan 0.000 0.537 102 E N -0.047 120.112 120.200 -0.069 0.000 2.347 102 E HA 0.101 4.451 4.350 0.000 0.000 0.196 102 E C 2.392 178.947 176.600 -0.075 0.000 1.008 102 E CA 0.218 56.574 56.400 -0.073 0.000 0.852 102 E CB -0.237 29.407 29.700 -0.094 0.000 0.783 102 E HN 0.450 nan 8.360 nan 0.000 0.505 103 L N -0.268 120.896 121.223 -0.097 0.000 2.179 103 L HA -0.060 4.280 4.340 0.000 0.000 0.208 103 L C 2.073 179.021 176.870 0.131 0.000 1.096 103 L CA 0.527 55.336 54.840 -0.052 0.000 0.779 103 L CB -0.164 41.803 42.059 -0.154 0.000 0.922 103 L HN 0.239 nan 8.230 nan 0.000 0.443 104 L N -0.720 120.540 121.223 0.061 0.000 2.072 104 L HA -0.151 4.189 4.340 0.000 0.000 0.205 104 L C 2.790 179.680 176.870 0.032 0.000 1.079 104 L CA 0.942 55.814 54.840 0.055 0.000 0.752 104 L CB -0.425 41.643 42.059 0.016 0.000 0.906 104 L HN 0.217 nan 8.230 nan 0.000 0.436 105 R N 0.458 120.965 120.500 0.011 0.000 2.083 105 R HA -0.164 4.176 4.340 0.000 0.000 0.237 105 R C 2.111 178.424 176.300 0.022 0.000 1.137 105 R CA 1.320 57.422 56.100 0.003 0.000 0.951 105 R CB 0.046 30.338 30.300 -0.012 0.000 0.851 105 R HN 0.112 nan 8.270 nan 0.000 0.434 106 K N -0.081 120.346 120.400 0.046 0.000 2.439 106 K HA -0.019 4.301 4.320 0.000 0.000 0.197 106 K C 1.626 178.288 176.600 0.103 0.000 1.041 106 K CA 0.948 57.279 56.287 0.073 0.000 0.970 106 K CB 0.206 32.757 32.500 0.085 0.000 0.773 106 K HN 0.292 nan 8.250 nan 0.000 0.479 107 A N 1.570 124.447 122.820 0.095 0.000 1.943 107 A HA -0.120 4.200 4.320 0.000 0.000 0.213 107 A C 1.976 179.551 177.584 -0.015 0.000 1.181 107 A CA 0.928 52.980 52.037 0.024 0.000 0.653 107 A CB -0.151 18.849 19.000 -0.000 0.000 0.833 107 A HN 0.450 nan 8.150 nan 0.000 0.451 108 E N 0.296 120.494 120.200 -0.004 0.000 2.285 108 E HA -0.130 4.220 4.350 0.000 0.000 0.194 108 E C 1.320 177.914 176.600 -0.010 0.000 0.997 108 E CA 0.999 57.390 56.400 -0.015 0.000 0.845 108 E CB -0.329 29.361 29.700 -0.017 0.000 0.782 108 E HN 0.690 nan 8.360 nan 0.000 0.491 109 E N 0.864 121.064 120.200 0.001 0.000 2.204 109 E HA -0.094 4.256 4.350 0.000 0.000 0.194 109 E C 1.988 178.589 176.600 0.003 0.000 0.989 109 E CA 0.843 57.245 56.400 0.004 0.000 0.824 109 E CB -0.001 29.707 29.700 0.014 0.000 0.756 109 E HN 0.394 nan 8.360 nan 0.000 0.477 110 L N 0.109 121.332 121.223 -0.001 0.000 2.249 110 L HA -0.033 4.307 4.340 0.000 0.000 0.207 110 L C 2.211 179.070 176.870 -0.019 0.000 1.090 110 L CA 0.409 55.245 54.840 -0.007 0.000 0.802 110 L CB -0.105 41.944 42.059 -0.015 0.000 0.947 110 L HN 0.132 nan 8.230 nan 0.000 0.453 111 L N -0.380 120.825 121.223 -0.030 0.000 2.217 111 L HA -0.142 4.198 4.340 0.000 0.000 0.211 111 L C 1.498 178.350 176.870 -0.030 0.000 1.107 111 L CA 0.872 55.689 54.840 -0.039 0.000 0.783 111 L CB -0.349 41.681 42.059 -0.048 0.000 0.919 111 L HN 0.203 nan 8.230 nan 0.000 0.442 112 D N -0.647 119.741 120.400 -0.021 0.000 2.347 112 D HA -0.093 4.547 4.640 0.000 0.000 0.213 112 D C 1.580 177.873 176.300 -0.011 0.000 0.985 112 D CA 0.635 54.625 54.000 -0.016 0.000 0.879 112 D CB 0.177 40.969 40.800 -0.013 0.000 0.919 112 D HN 0.295 nan 8.370 nan 0.000 0.526 113 Q N 0.091 119.885 119.800 -0.009 0.000 2.222 113 Q HA 0.164 4.505 4.340 0.000 0.000 0.206 113 Q C -0.152 175.846 176.000 -0.003 0.000 0.877 113 Q CA -0.128 55.673 55.803 -0.004 0.000 0.958 113 Q CB 0.398 29.137 28.738 0.001 0.000 1.075 113 Q HN 0.133 nan 8.270 nan 0.000 0.483 114 N N -0.792 117.903 118.700 -0.010 0.000 2.850 114 N HA -0.139 4.601 4.740 0.000 0.000 0.249 114 N C -0.690 174.822 175.510 0.003 0.000 1.060 114 N CA 0.496 53.541 53.050 -0.009 0.000 0.825 114 N CB -1.490 36.997 38.487 -0.001 0.000 1.132 114 N HN 0.052 nan 8.380 nan 0.000 0.564 115 V N 2.467 122.382 119.914 0.002 0.000 2.446 115 V HA -0.003 4.117 4.120 0.000 0.000 0.276 115 V C 1.253 177.365 176.094 0.030 0.000 1.030 115 V CA -0.182 62.131 62.300 0.021 0.000 1.033 115 V CB 0.625 32.452 31.823 0.007 0.000 0.993 115 V HN 0.228 nan 8.190 nan 0.000 0.477 116 H N 8.334 127.389 119.070 -0.025 0.000 3.064 116 H HA 0.012 4.568 4.556 0.000 0.000 0.329 116 H C -1.609 173.695 175.328 -0.040 0.000 1.020 116 H CA -1.080 54.952 56.048 -0.026 0.000 1.402 116 H CB 1.542 31.293 29.762 -0.019 0.000 1.379 116 H HN 0.394 nan 8.280 nan 0.000 0.594 117 P HA -0.152 nan 4.420 nan 0.000 0.218 117 P C 1.453 178.811 177.300 0.098 0.000 1.148 117 P CA 2.260 65.369 63.100 0.015 0.000 0.822 117 P CB 0.086 31.758 31.700 -0.048 0.000 0.784 118 T N -3.493 111.234 114.554 0.289 0.000 2.867 118 T HA -0.076 4.274 4.350 0.000 0.000 0.268 118 T C 1.697 176.423 174.700 0.042 0.000 1.057 118 T CA 0.846 63.021 62.100 0.126 0.000 1.136 118 T CB -0.867 68.032 68.868 0.053 0.000 0.874 118 T HN -0.094 nan 8.240 nan 0.000 0.466 119 I N 1.189 121.789 120.570 0.050 0.000 2.439 119 I HA 0.015 4.185 4.170 0.000 0.000 0.251 119 I C 2.605 178.715 176.117 -0.011 0.000 1.139 119 I CA 0.360 61.667 61.300 0.011 0.000 1.438 119 I CB -1.153 36.860 38.000 0.021 0.000 1.085 119 I HN 0.189 nan 8.210 nan 0.000 0.427 120 V N 0.285 120.170 119.914 -0.049 0.000 2.283 120 V HA -0.175 3.945 4.120 0.000 0.000 0.243 120 V C 2.559 178.521 176.094 -0.220 0.000 1.039 120 V CA 1.328 63.518 62.300 -0.183 0.000 1.016 120 V CB -0.459 31.205 31.823 -0.265 0.000 0.650 120 V HN 0.248 nan 8.190 nan 0.000 0.449 121 V N -0.148 119.693 119.914 -0.121 0.000 2.720 121 V HA -0.238 3.882 4.120 0.000 0.000 0.256 121 V C 2.418 178.543 176.094 0.052 0.000 1.082 121 V CA 2.396 64.683 62.300 -0.023 0.000 1.101 121 V CB -0.366 31.463 31.823 0.010 0.000 0.693 121 V HN 0.583 nan 8.190 nan 0.000 0.479 122 K N -0.333 120.085 120.400 0.030 0.000 2.031 122 K HA -0.049 4.271 4.320 0.000 0.000 0.205 122 K C 2.067 178.706 176.600 0.064 0.000 1.049 122 K CA 1.472 57.782 56.287 0.039 0.000 0.939 122 K CB -0.602 31.907 32.500 0.017 0.000 0.717 122 K HN 0.525 nan 8.250 nan 0.000 0.438 123 G N -0.466 108.383 108.800 0.081 0.000 2.422 123 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 123 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 123 G C 1.300 176.324 174.900 0.207 0.000 1.140 123 G CA 0.534 45.708 45.100 0.124 0.000 0.775 123 G HN 0.360 nan 8.290 nan 0.000 0.545 124 Y N 0.015 120.334 120.300 0.032 0.000 2.224 124 Y HA -0.139 4.411 4.550 0.000 0.000 0.289 124 Y C 3.106 178.931 175.900 -0.125 0.000 1.146 124 Y CA 1.243 59.372 58.100 0.049 0.000 1.182 124 Y CB 0.184 38.756 38.460 0.187 0.000 0.983 124 Y HN 0.252 nan 8.280 nan 0.000 0.524 125 Q N -0.071 119.787 119.800 0.098 0.000 2.163 125 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 125 Q C 2.318 178.281 176.000 -0.062 0.000 0.954 125 Q CA 0.848 56.654 55.803 0.006 0.000 0.851 125 Q CB -0.028 28.735 28.738 0.042 0.000 0.928 125 Q HN 0.448 nan 8.270 nan 0.000 0.459 126 A N 0.533 123.339 122.820 -0.023 0.000 1.969 126 A HA -0.040 4.280 4.320 0.000 0.000 0.218 126 A C 2.122 179.677 177.584 -0.048 0.000 1.169 126 A CA 1.471 53.512 52.037 0.007 0.000 0.635 126 A CB -0.508 18.538 19.000 0.076 0.000 0.810 126 A HN 0.487 nan 8.150 nan 0.000 0.445 127 A N -0.449 122.250 122.820 -0.202 0.000 1.935 127 A HA 0.370 4.691 4.320 0.000 0.000 0.214 127 A C 2.375 179.551 177.584 -0.680 0.000 1.178 127 A CA 1.430 53.211 52.037 -0.427 0.000 0.640 127 A CB -0.728 17.899 19.000 -0.621 0.000 0.825 127 A HN 0.930 nan 8.150 nan 0.000 0.447 128 A N -0.900 121.469 122.820 -0.752 0.000 2.066 128 A HA -0.075 4.245 4.320 0.000 0.000 0.218 128 A C 2.050 179.510 177.584 -0.207 0.000 1.157 128 A CA 1.533 53.304 52.037 -0.444 0.000 0.670 128 A CB -0.373 18.499 19.000 -0.213 0.000 0.804 128 A HN 0.605 nan 8.150 nan 0.000 0.453 129 Q N -0.393 119.294 119.800 -0.188 0.000 2.016 129 Q HA -0.197 4.144 4.340 0.000 0.000 0.200 129 Q C 2.111 178.007 176.000 -0.174 0.000 0.978 129 Q CA 1.966 57.690 55.803 -0.132 0.000 0.833 129 Q CB -0.118 28.562 28.738 -0.096 0.000 0.895 129 Q HN 0.452 nan 8.270 nan 0.000 0.427 130 K N 0.134 120.371 120.400 -0.271 0.000 2.147 130 K HA -0.094 4.226 4.320 0.000 0.000 0.205 130 K C 1.612 178.054 176.600 -0.263 0.000 1.049 130 K CA 1.380 57.435 56.287 -0.388 0.000 0.936 130 K CB -0.403 31.603 32.500 -0.824 0.000 0.722 130 K HN 0.279 nan 8.250 nan 0.000 0.446 131 A N 0.223 122.919 122.820 -0.205 0.000 1.969 131 A HA -0.137 4.183 4.320 0.000 0.000 0.218 131 A C 1.973 179.519 177.584 -0.063 0.000 1.169 131 A CA 1.193 53.171 52.037 -0.098 0.000 0.635 131 A CB -0.364 18.624 19.000 -0.019 0.000 0.810 131 A HN 0.323 nan 8.150 nan 0.000 0.445 132 Q N -0.035 119.722 119.800 -0.073 0.000 2.083 132 Q HA -0.160 4.180 4.340 0.000 0.000 0.198 132 Q C 1.913 177.883 176.000 -0.051 0.000 0.969 132 Q CA 1.666 57.441 55.803 -0.047 0.000 0.838 132 Q CB -0.317 28.395 28.738 -0.043 0.000 0.900 132 Q HN 1.002 nan 8.270 nan 0.000 0.436 133 E N -0.135 120.020 120.200 -0.075 0.000 2.435 133 E HA -0.022 4.328 4.350 0.000 0.000 0.195 133 E C 1.873 178.434 176.600 -0.066 0.000 1.029 133 E CA 0.138 56.497 56.400 -0.067 0.000 0.865 133 E CB -0.091 29.563 29.700 -0.077 0.000 0.833 133 E HN 0.234 nan 8.360 nan 0.000 0.510 134 L N 0.520 121.696 121.223 -0.078 0.000 2.270 134 L HA 0.027 4.367 4.340 0.000 0.000 0.210 134 L C 2.362 179.215 176.870 -0.029 0.000 1.104 134 L CA 0.394 55.199 54.840 -0.058 0.000 0.804 134 L CB -0.047 41.969 42.059 -0.073 0.000 0.937 134 L HN 0.171 nan 8.230 nan 0.000 0.450 135 L N -0.502 120.706 121.223 -0.025 0.000 2.217 135 L HA -0.155 4.185 4.340 0.000 0.000 0.211 135 L C 2.395 179.259 176.870 -0.009 0.000 1.107 135 L CA 1.007 55.841 54.840 -0.010 0.000 0.783 135 L CB -0.210 41.846 42.059 -0.005 0.000 0.919 135 L HN 0.190 nan 8.230 nan 0.000 0.442 136 K N -0.521 119.869 120.400 -0.016 0.000 2.097 136 K HA -0.125 4.195 4.320 0.000 0.000 0.205 136 K C 2.120 178.714 176.600 -0.010 0.000 1.050 136 K CA 1.818 58.097 56.287 -0.013 0.000 0.938 136 K CB -0.160 32.330 32.500 -0.017 0.000 0.718 136 K HN 0.426 nan 8.250 nan 0.000 0.442 137 T N -0.160 114.386 114.554 -0.012 0.000 2.942 137 T HA -0.050 4.300 4.350 0.000 0.000 0.265 137 T C 1.842 176.540 174.700 -0.004 0.000 1.062 137 T CA 0.786 62.880 62.100 -0.009 0.000 1.139 137 T CB -0.436 68.426 68.868 -0.011 0.000 0.883 137 T HN 0.370 nan 8.240 nan 0.000 0.468 138 I N -0.461 120.108 120.570 -0.001 0.000 3.793 138 I HA 0.581 4.751 4.170 0.000 0.000 0.315 138 I C 0.875 176.995 176.117 0.005 0.000 1.275 138 I CA -0.857 60.446 61.300 0.005 0.000 1.214 138 I CB -0.376 37.633 38.000 0.014 0.000 1.018 138 I HN 0.148 nan 8.210 nan 0.000 0.439 139 A N 1.326 124.147 122.820 0.002 0.000 2.309 139 A HA 0.457 4.777 4.320 0.000 0.000 0.290 139 A C 0.230 177.815 177.584 0.001 0.000 1.206 139 A CA -0.409 51.630 52.037 0.003 0.000 0.850 139 A CB -0.111 18.890 19.000 0.001 0.000 1.118 139 A HN 0.519 nan 8.150 nan 0.000 0.523 140 C N 2.554 121.855 119.300 0.002 0.000 2.644 140 C HA 0.270 4.730 4.460 0.000 0.000 0.417 140 C C 0.645 175.635 174.990 0.001 0.000 1.304 140 C CA -0.549 58.469 59.018 0.001 0.000 2.035 140 C CB -0.433 27.308 27.740 0.001 0.000 2.673 140 C HN 0.748 nan 8.230 nan 0.000 0.602 141 E N 1.580 121.780 120.200 -0.000 0.000 2.200 141 E HA 0.476 4.826 4.350 0.000 0.000 0.283 141 E C -0.732 175.869 176.600 0.000 0.000 1.015 141 E CA -0.020 56.380 56.400 -0.000 0.000 0.819 141 E CB 1.529 31.229 29.700 -0.001 0.000 1.081 141 E HN 0.444 nan 8.360 nan 0.000 0.397 142 V N 1.607 121.521 119.914 0.001 0.000 2.709 142 V HA 0.429 4.549 4.120 0.000 0.000 0.308 142 V C 0.459 176.554 176.094 0.001 0.000 1.062 142 V CA -1.036 61.265 62.300 0.001 0.000 0.901 142 V CB 2.269 34.094 31.823 0.002 0.000 1.003 142 V HN 0.767 nan 8.190 nan 0.000 0.425 143 G N 2.255 111.056 108.800 0.001 0.000 2.406 143 G HA2 0.419 4.380 3.960 0.000 0.000 0.251 143 G HA3 0.419 4.380 3.960 0.000 0.000 0.251 143 G C 1.017 175.918 174.900 0.002 0.000 1.271 143 G CA 0.268 45.369 45.100 0.002 0.000 0.859 143 G HN 1.184 nan 8.290 nan 0.000 0.540 144 A N 1.550 124.371 122.820 0.002 0.000 2.178 144 A HA -0.034 4.286 4.320 0.000 0.000 0.218 144 A C 1.784 179.369 177.584 0.002 0.000 1.157 144 A CA 1.363 53.401 52.037 0.002 0.000 0.689 144 A CB -0.017 18.984 19.000 0.002 0.000 0.787 144 A HN 0.638 nan 8.150 nan 0.000 0.465 145 Q N -0.592 119.209 119.800 0.003 0.000 2.135 145 Q HA 0.071 4.411 4.340 0.000 0.000 0.231 145 Q C -0.776 175.225 176.000 0.003 0.000 0.817 145 Q CA -0.257 55.547 55.803 0.003 0.000 1.073 145 Q CB 0.520 29.261 28.738 0.005 0.000 1.176 145 Q HN 0.403 nan 8.270 nan 0.000 0.478 146 D N 1.140 121.541 120.400 0.002 0.000 2.508 146 D HA 0.011 4.651 4.640 0.000 0.000 0.224 146 D C 0.620 176.921 176.300 0.002 0.000 1.171 146 D CA 0.270 54.272 54.000 0.002 0.000 1.006 146 D CB 0.544 41.345 40.800 0.002 0.000 1.073 146 D HN 0.165 nan 8.370 nan 0.000 0.513 147 K N 1.741 122.142 120.400 0.001 0.000 2.097 147 K HA -0.191 4.129 4.320 0.000 0.000 0.206 147 K C 1.639 178.239 176.600 0.001 0.000 1.049 147 K CA 1.145 57.432 56.287 0.001 0.000 0.933 147 K CB 0.221 32.721 32.500 0.001 0.000 0.717 147 K HN 0.524 nan 8.250 nan 0.000 0.442 148 E N 0.855 121.055 120.200 0.001 0.000 2.150 148 E HA -0.130 4.220 4.350 0.000 0.000 0.193 148 E C 1.897 178.498 176.600 0.001 0.000 0.985 148 E CA 0.966 57.367 56.400 0.000 0.000 0.814 148 E CB -0.319 29.382 29.700 0.000 0.000 0.752 148 E HN 0.279 nan 8.360 nan 0.000 0.466 149 I N 0.841 121.412 120.570 0.002 0.000 2.400 149 I HA -0.152 4.018 4.170 0.000 0.000 0.248 149 I C 2.350 178.468 176.117 0.003 0.000 1.109 149 I CA 0.595 61.896 61.300 0.003 0.000 1.425 149 I CB -0.163 37.839 38.000 0.003 0.000 1.094 149 I HN 0.087 nan 8.210 nan 0.000 0.425 150 L N 0.390 121.614 121.223 0.002 0.000 2.079 150 L HA -0.220 4.120 4.340 0.000 0.000 0.210 150 L C 2.567 179.438 176.870 0.002 0.000 1.081 150 L CA 1.546 56.387 54.840 0.002 0.000 0.752 150 L CB -0.851 41.208 42.059 0.000 0.000 0.896 150 L HN 0.284 nan 8.230 nan 0.000 0.433 151 T N -0.879 113.675 114.554 0.001 0.000 2.857 151 T HA -0.144 4.206 4.350 0.000 0.000 0.266 151 T C 1.886 176.587 174.700 0.002 0.000 1.048 151 T CA 0.996 63.096 62.100 0.001 0.000 1.139 151 T CB -0.019 68.848 68.868 -0.001 0.000 0.874 151 T HN 0.288 nan 8.240 nan 0.000 0.455 152 K N 0.616 121.018 120.400 0.003 0.000 2.097 152 K HA 0.069 4.389 4.320 0.000 0.000 0.206 152 K C 2.106 178.712 176.600 0.009 0.000 1.049 152 K CA 0.996 57.287 56.287 0.006 0.000 0.933 152 K CB -0.240 32.264 32.500 0.007 0.000 0.717 152 K HN 0.313 nan 8.250 nan 0.000 0.442 153 I N 0.755 121.330 120.570 0.008 0.000 2.353 153 I HA -0.228 3.942 4.170 0.000 0.000 0.248 153 I C 2.370 178.492 176.117 0.009 0.000 1.119 153 I CA 0.859 62.165 61.300 0.009 0.000 1.417 153 I CB -0.172 37.831 38.000 0.006 0.000 1.078 153 I HN 0.130 nan 8.210 nan 0.000 0.421 154 A N -0.027 122.797 122.820 0.006 0.000 1.969 154 A HA -0.204 4.116 4.320 0.000 0.000 0.218 154 A C 2.246 179.835 177.584 0.008 0.000 1.169 154 A CA 1.475 53.515 52.037 0.006 0.000 0.635 154 A CB -0.466 18.535 19.000 0.002 0.000 0.810 154 A HN 0.378 nan 8.150 nan 0.000 0.445 155 M N -0.677 118.928 119.600 0.009 0.000 2.254 155 M HA -0.045 4.435 4.480 0.000 0.000 0.265 155 M C 1.842 178.154 176.300 0.020 0.000 1.066 155 M CA 1.889 57.194 55.300 0.010 0.000 1.123 155 M CB -0.214 32.389 32.600 0.004 0.000 1.388 155 M HN 0.304 nan 8.290 nan 0.000 0.425 156 T N -0.992 113.576 114.554 0.024 0.000 2.995 156 T HA -0.060 4.290 4.350 0.000 0.000 0.269 156 T C 1.895 176.614 174.700 0.032 0.000 1.091 156 T CA 1.438 63.559 62.100 0.035 0.000 1.128 156 T CB -0.220 68.667 68.868 0.031 0.000 0.891 156 T HN 0.449 nan 8.240 nan 0.000 0.492 157 S N 0.592 116.306 115.700 0.022 0.000 2.377 157 S HA 0.076 4.546 4.470 0.000 0.000 0.223 157 S C 1.989 176.602 174.600 0.021 0.000 1.030 157 S CA 0.379 58.590 58.200 0.019 0.000 0.970 157 S CB -0.301 62.906 63.200 0.012 0.000 0.830 157 S HN 0.462 nan 8.310 nan 0.000 0.473 158 I N 1.403 121.986 120.570 0.021 0.000 2.252 158 I HA -0.079 4.091 4.170 0.000 0.000 0.245 158 I C 0.874 177.012 176.117 0.034 0.000 1.102 158 I CA 0.593 61.906 61.300 0.022 0.000 1.385 158 I CB -0.882 37.128 38.000 0.016 0.000 1.064 158 I HN 0.224 nan 8.210 nan 0.000 0.414 159 T N 0.791 115.372 114.554 0.046 0.000 2.926 159 T HA 0.335 4.685 4.350 0.000 0.000 0.307 159 T C 1.089 175.829 174.700 0.067 0.000 1.059 159 T CA 0.617 62.763 62.100 0.078 0.000 1.122 159 T CB 1.268 70.206 68.868 0.115 0.000 0.972 159 T HN 0.637 nan 8.240 nan 0.000 0.545 160 G N 1.891 110.734 108.800 0.071 0.000 2.308 160 G HA2 -0.240 3.720 3.960 0.000 0.000 0.221 160 G HA3 -0.240 3.720 3.960 0.000 0.000 0.221 160 G C 0.899 175.815 174.900 0.027 0.000 1.032 160 G CA 0.145 45.268 45.100 0.038 0.000 0.623 160 G HN 0.622 nan 8.290 nan 0.000 0.506 161 K N 1.154 121.573 120.400 0.032 0.000 2.426 161 K HA 0.450 4.770 4.320 0.000 0.000 0.193 161 K C 0.935 177.557 176.600 0.035 0.000 1.028 161 K CA 0.721 57.024 56.287 0.027 0.000 1.047 161 K CB 0.474 32.988 32.500 0.023 0.000 0.821 161 K HN 1.386 nan 8.250 nan 0.000 0.513 162 G N -0.174 108.658 108.800 0.054 0.000 2.521 162 G HA2 0.078 4.038 3.960 0.000 0.000 0.589 162 G HA3 0.078 4.038 3.960 0.000 0.000 0.589 162 G C 0.185 175.138 174.900 0.087 0.000 1.501 162 G CA -0.491 44.652 45.100 0.071 0.000 0.887 162 G HN -0.022 nan 8.290 nan 0.000 0.654 163 A N 0.877 123.779 122.820 0.135 0.000 2.019 163 A HA 0.021 4.342 4.320 0.000 0.000 0.219 163 A C 2.157 179.753 177.584 0.020 0.000 1.164 163 A CA 2.255 54.346 52.037 0.090 0.000 0.644 163 A CB -0.263 18.793 19.000 0.094 0.000 0.805 163 A HN 1.223 nan 8.150 nan 0.000 0.449 164 E N 0.642 120.860 120.200 0.030 0.000 2.274 164 E HA -0.164 4.186 4.350 0.000 0.000 0.194 164 E C 1.474 178.079 176.600 0.009 0.000 0.996 164 E CA 1.339 57.746 56.400 0.012 0.000 0.840 164 E CB -0.320 29.391 29.700 0.018 0.000 0.772 164 E HN 0.628 nan 8.360 nan 0.000 0.491 165 K N 0.773 121.184 120.400 0.017 0.000 2.228 165 K HA 0.142 4.462 4.320 0.000 0.000 0.202 165 K C 1.119 177.724 176.600 0.008 0.000 1.051 165 K CA 0.743 57.039 56.287 0.014 0.000 0.960 165 K CB 0.133 32.645 32.500 0.020 0.000 0.743 165 K HN 0.111 nan 8.250 nan 0.000 0.458 166 A N 2.539 125.363 122.820 0.007 0.000 3.026 166 A HA 0.033 4.353 4.320 0.000 0.000 0.272 166 A C -0.284 177.292 177.584 -0.013 0.000 1.782 166 A CA 0.094 52.131 52.037 -0.000 0.000 1.451 166 A CB -0.578 18.423 19.000 0.002 0.000 1.081 166 A HN 0.087 nan 8.150 nan 0.000 0.611 167 K N 0.634 121.028 120.400 -0.009 0.000 2.174 167 K HA 0.166 4.486 4.320 0.000 0.000 0.275 167 K C 0.913 177.506 176.600 -0.012 0.000 1.015 167 K CA -0.540 55.739 56.287 -0.013 0.000 0.933 167 K CB 0.591 33.086 32.500 -0.008 0.000 1.025 167 K HN 0.572 nan 8.250 nan 0.000 0.463 168 E N 2.650 122.840 120.200 -0.016 0.000 2.049 168 E HA -0.249 4.101 4.350 0.000 0.000 0.198 168 E C 0.932 177.527 176.600 -0.008 0.000 1.007 168 E CA 1.830 58.222 56.400 -0.013 0.000 0.809 168 E CB 0.178 29.869 29.700 -0.016 0.000 0.749 168 E HN 0.521 nan 8.360 nan 0.000 0.450 169 K N 0.254 120.650 120.400 -0.007 0.000 2.283 169 K HA -0.134 4.186 4.320 0.000 0.000 0.202 169 K C 2.113 178.712 176.600 -0.002 0.000 1.048 169 K CA 0.368 56.653 56.287 -0.004 0.000 0.948 169 K CB -0.048 32.451 32.500 -0.002 0.000 0.742 169 K HN 0.041 nan 8.250 nan 0.000 0.458 170 L N 0.479 121.701 121.223 -0.002 0.000 2.095 170 L HA 0.026 4.366 4.340 0.000 0.000 0.204 170 L C 2.149 179.019 176.870 -0.001 0.000 1.080 170 L CA 1.292 56.132 54.840 -0.000 0.000 0.759 170 L CB -0.371 41.688 42.059 0.001 0.000 0.914 170 L HN 0.040 nan 8.230 nan 0.000 0.439 171 A N -0.553 122.266 122.820 -0.002 0.000 1.933 171 A HA -0.214 4.106 4.320 0.000 0.000 0.218 171 A C 2.135 179.718 177.584 -0.002 0.000 1.175 171 A CA 1.821 53.858 52.037 -0.001 0.000 0.628 171 A CB -0.600 18.399 19.000 -0.001 0.000 0.814 171 A HN 0.602 nan 8.150 nan 0.000 0.444 172 E N -0.343 119.855 120.200 -0.002 0.000 2.110 172 E HA -0.139 4.211 4.350 0.000 0.000 0.193 172 E C 1.836 178.434 176.600 -0.002 0.000 0.988 172 E CA 1.148 57.546 56.400 -0.002 0.000 0.804 172 E CB -0.284 29.415 29.700 -0.002 0.000 0.745 172 E HN 0.699 nan 8.360 nan 0.000 0.458 173 I N 0.873 121.442 120.570 -0.002 0.000 2.226 173 I HA -0.274 3.896 4.170 0.000 0.000 0.245 173 I C 2.274 178.388 176.117 -0.005 0.000 1.100 173 I CA 1.064 62.363 61.300 -0.002 0.000 1.374 173 I CB -0.138 37.862 38.000 -0.000 0.000 1.057 173 I HN 0.114 nan 8.210 nan 0.000 0.413 174 I N -0.276 120.292 120.570 -0.005 0.000 2.202 174 I HA -0.229 3.941 4.170 0.000 0.000 0.242 174 I C 2.466 178.578 176.117 -0.008 0.000 1.091 174 I CA 1.028 62.324 61.300 -0.006 0.000 1.368 174 I CB -0.284 37.714 38.000 -0.004 0.000 1.058 174 I HN -0.012 nan 8.210 nan 0.000 0.410 175 V N 0.662 120.573 119.914 -0.006 0.000 2.407 175 V HA -0.299 3.821 4.120 0.000 0.000 0.248 175 V C 2.422 178.511 176.094 -0.009 0.000 1.055 175 V CA 2.041 64.338 62.300 -0.006 0.000 1.049 175 V CB -0.623 31.198 31.823 -0.004 0.000 0.662 175 V HN 0.476 nan 8.190 nan 0.000 0.455 176 E N -0.176 120.018 120.200 -0.009 0.000 2.208 176 E HA -0.126 4.224 4.350 0.000 0.000 0.193 176 E C 2.192 178.781 176.600 -0.018 0.000 0.988 176 E CA 0.995 57.388 56.400 -0.011 0.000 0.828 176 E CB -0.096 29.599 29.700 -0.008 0.000 0.763 176 E HN 0.599 nan 8.360 nan 0.000 0.478 177 A N 0.141 122.951 122.820 -0.018 0.000 1.930 177 A HA -0.049 4.272 4.320 0.000 0.000 0.215 177 A C 2.264 179.832 177.584 -0.027 0.000 1.176 177 A CA 0.802 52.824 52.037 -0.024 0.000 0.632 177 A CB -0.245 18.743 19.000 -0.021 0.000 0.819 177 A HN 0.186 nan 8.150 nan 0.000 0.445 178 V N -0.180 119.722 119.914 -0.021 0.000 2.548 178 V HA -0.153 3.967 4.120 0.000 0.000 0.249 178 V C 2.633 178.714 176.094 -0.022 0.000 1.055 178 V CA 2.083 64.371 62.300 -0.020 0.000 1.065 178 V CB -0.624 31.191 31.823 -0.014 0.000 0.681 178 V HN 0.507 nan 8.190 nan 0.000 0.462 179 S N 0.288 115.976 115.700 -0.020 0.000 2.419 179 S HA -0.104 4.366 4.470 0.000 0.000 0.233 179 S C 2.162 176.742 174.600 -0.033 0.000 1.016 179 S CA 1.304 59.492 58.200 -0.020 0.000 0.974 179 S CB -0.289 62.902 63.200 -0.014 0.000 0.786 179 S HN 0.653 nan 8.310 nan 0.000 0.492 180 A N 0.998 123.791 122.820 -0.046 0.000 1.930 180 A HA 0.030 4.350 4.320 0.000 0.000 0.215 180 A C 2.063 179.594 177.584 -0.089 0.000 1.176 180 A CA 1.296 53.286 52.037 -0.079 0.000 0.632 180 A CB -0.508 18.444 19.000 -0.081 0.000 0.819 180 A HN 0.553 nan 8.150 nan 0.000 0.445 181 V N -2.011 117.867 119.914 -0.060 0.000 3.577 181 V HA 0.245 4.365 4.120 0.000 0.000 0.294 181 V C 0.354 176.426 176.094 -0.037 0.000 1.317 181 V CA -0.306 61.962 62.300 -0.053 0.000 1.169 181 V CB -0.870 30.927 31.823 -0.043 0.000 1.011 181 V HN 0.071 nan 8.190 nan 0.000 0.426 182 V N 4.237 124.132 119.914 -0.032 0.000 2.446 182 V HA 0.154 4.274 4.120 0.000 0.000 0.276 182 V C 0.301 176.389 176.094 -0.009 0.000 1.030 182 V CA -0.141 62.149 62.300 -0.017 0.000 1.033 182 V CB 0.351 32.168 31.823 -0.010 0.000 0.993 182 V HN 0.758 nan 8.190 nan 0.000 0.477 183 D N 4.108 124.505 120.400 -0.005 0.000 2.365 183 D HA 0.085 4.725 4.640 0.000 0.000 0.237 183 D C -0.405 175.900 176.300 0.009 0.000 1.190 183 D CA -0.586 53.416 54.000 0.003 0.000 0.867 183 D CB 0.938 41.738 40.800 0.001 0.000 1.050 183 D HN 0.392 nan 8.370 nan 0.000 0.491 184 D N 2.866 123.277 120.400 0.018 0.000 2.371 184 D HA 0.112 4.752 4.640 0.000 0.000 0.256 184 D C 0.213 176.522 176.300 0.014 0.000 1.193 184 D CA 0.284 54.295 54.000 0.018 0.000 0.881 184 D CB 1.087 41.904 40.800 0.029 0.000 1.143 184 D HN 0.465 nan 8.370 nan 0.000 0.473 185 E N 0.400 120.606 120.200 0.010 0.000 2.183 185 E HA 0.615 4.965 4.350 0.000 0.000 0.271 185 E C 0.326 176.930 176.600 0.005 0.000 0.919 185 E CA -0.994 55.411 56.400 0.008 0.000 0.781 185 E CB 2.144 31.848 29.700 0.007 0.000 1.140 185 E HN 0.528 nan 8.360 nan 0.000 0.402 186 G N 2.630 111.432 108.800 0.004 0.000 5.580 186 G HA2 0.011 3.971 3.960 0.000 0.000 0.197 186 G HA3 0.011 3.971 3.960 0.000 0.000 0.197 186 G C -0.107 174.793 174.900 0.001 0.000 0.741 186 G CA -0.417 44.685 45.100 0.004 0.000 0.692 186 G HN 0.080 nan 8.290 nan 0.000 0.300 187 K N 0.277 120.677 120.400 -0.000 0.000 2.090 187 K HA 0.661 4.981 4.320 0.000 0.000 0.249 187 K C -0.377 176.220 176.600 -0.005 0.000 0.995 187 K CA -0.610 55.676 56.287 -0.002 0.000 0.914 187 K CB 2.478 34.977 32.500 -0.002 0.000 1.057 187 K HN -0.028 nan 8.250 nan 0.000 0.462 188 V N 1.655 121.565 119.914 -0.006 0.000 2.384 188 V HA 0.070 4.190 4.120 0.000 0.000 0.287 188 V C -0.478 175.610 176.094 -0.010 0.000 1.020 188 V CA -0.871 61.423 62.300 -0.009 0.000 0.850 188 V CB 1.463 33.280 31.823 -0.010 0.000 0.987 188 V HN 0.609 nan 8.190 nan 0.000 0.436 189 D N 3.613 124.006 120.400 -0.013 0.000 2.313 189 D HA 0.295 4.935 4.640 0.000 0.000 0.239 189 D C 0.894 177.184 176.300 -0.016 0.000 1.142 189 D CA -0.355 53.637 54.000 -0.013 0.000 0.847 189 D CB 1.652 42.444 40.800 -0.015 0.000 1.082 189 D HN 0.349 nan 8.370 nan 0.000 0.480 190 K N 1.632 122.024 120.400 -0.014 0.000 2.280 190 K HA -0.055 4.265 4.320 0.000 0.000 0.202 190 K C 0.826 177.415 176.600 -0.018 0.000 1.047 190 K CA 0.883 57.161 56.287 -0.015 0.000 0.942 190 K CB 0.214 32.708 32.500 -0.011 0.000 0.739 190 K HN 0.395 nan 8.250 nan 0.000 0.457 191 D N -0.001 120.388 120.400 -0.018 0.000 2.363 191 D HA -0.025 4.615 4.640 0.000 0.000 0.220 191 D C 1.293 177.577 176.300 -0.027 0.000 0.994 191 D CA 0.569 54.556 54.000 -0.022 0.000 0.890 191 D CB 0.154 40.943 40.800 -0.019 0.000 0.906 191 D HN 0.164 nan 8.370 nan 0.000 0.530 192 L N 0.053 121.259 121.223 -0.028 0.000 2.341 192 L HA 0.136 4.476 4.340 0.000 0.000 0.214 192 L C 0.767 177.614 176.870 -0.039 0.000 1.115 192 L CA 0.299 55.119 54.840 -0.034 0.000 0.820 192 L CB 0.300 42.339 42.059 -0.033 0.000 0.944 192 L HN -0.123 nan 8.230 nan 0.000 0.452 193 I N 1.132 121.681 120.570 -0.034 0.000 2.282 193 I HA 0.056 4.226 4.170 0.000 0.000 0.290 193 I C 0.436 176.531 176.117 -0.037 0.000 1.090 193 I CA -0.067 61.211 61.300 -0.035 0.000 1.231 193 I CB 0.521 38.504 38.000 -0.029 0.000 1.434 193 I HN -0.001 nan 8.210 nan 0.000 0.487 194 K N 7.238 127.611 120.400 -0.046 0.000 2.383 194 K HA 0.368 4.688 4.320 0.000 0.000 0.286 194 K C -0.613 175.959 176.600 -0.048 0.000 1.051 194 K CA -0.222 56.035 56.287 -0.050 0.000 0.974 194 K CB 0.622 33.083 32.500 -0.065 0.000 0.968 194 K HN 0.541 nan 8.250 nan 0.000 0.475 195 I N 4.070 124.615 120.570 -0.041 0.000 2.312 195 I HA 0.137 4.307 4.170 0.000 0.000 0.290 195 I C -0.352 175.740 176.117 -0.041 0.000 1.008 195 I CA -0.572 60.707 61.300 -0.036 0.000 1.226 195 I CB 1.546 39.530 38.000 -0.026 0.000 1.371 195 I HN 0.627 nan 8.210 nan 0.000 0.468 196 E N 6.514 126.686 120.200 -0.046 0.000 2.183 196 E HA 0.412 4.762 4.350 0.000 0.000 0.271 196 E C -1.202 175.378 176.600 -0.034 0.000 0.919 196 E CA -0.696 55.675 56.400 -0.050 0.000 0.781 196 E CB 1.299 30.952 29.700 -0.078 0.000 1.140 196 E HN 0.283 nan 8.360 nan 0.000 0.402 197 K N 3.957 124.340 120.400 -0.030 0.000 2.464 197 K HA 0.411 4.731 4.320 0.000 0.000 0.252 197 K C -0.739 175.852 176.600 -0.016 0.000 1.000 197 K CA -0.896 55.379 56.287 -0.021 0.000 0.951 197 K CB 1.107 33.592 32.500 -0.024 0.000 1.183 197 K HN 0.194 nan 8.250 nan 0.000 0.445 198 K N 1.059 121.457 120.400 -0.003 0.000 2.385 198 K HA 0.311 4.631 4.320 0.000 0.000 0.248 198 K C 0.553 177.159 176.600 0.011 0.000 0.955 198 K CA -0.513 55.779 56.287 0.008 0.000 0.816 198 K CB 1.958 34.474 32.500 0.028 0.000 1.250 198 K HN 0.645 nan 8.250 nan 0.000 0.434 199 S N 0.104 115.810 115.700 0.011 0.000 2.136 199 S HA 0.546 5.016 4.470 0.000 0.000 0.205 199 S C 0.711 175.321 174.600 0.017 0.000 1.346 199 S CA 0.493 58.698 58.200 0.009 0.000 1.084 199 S CB -0.387 62.817 63.200 0.006 0.000 0.767 199 S HN 1.036 nan 8.310 nan 0.000 0.423 200 G N -0.827 107.982 108.800 0.015 0.000 2.603 200 G HA2 0.439 4.399 3.960 0.000 0.000 0.686 200 G HA3 0.439 4.399 3.960 0.000 0.000 0.686 200 G C -0.312 174.595 174.900 0.013 0.000 1.286 200 G CA -0.317 44.793 45.100 0.016 0.000 0.871 200 G HN 1.730 nan 8.290 nan 0.000 0.568 201 A N 0.388 123.214 122.820 0.012 0.000 2.798 201 A HA 0.836 5.156 4.320 0.000 0.000 0.316 201 A C 0.775 178.366 177.584 0.010 0.000 1.506 201 A CA 1.225 53.268 52.037 0.010 0.000 1.162 201 A CB 0.375 19.380 19.000 0.008 0.000 1.138 201 A HN 2.090 nan 8.150 nan 0.000 0.532 202 S N 1.405 117.112 115.700 0.011 0.000 4.107 202 S HA 0.547 5.017 4.470 0.000 0.000 0.196 202 S C 1.147 175.753 174.600 0.011 0.000 1.125 202 S CA 0.549 58.756 58.200 0.012 0.000 1.614 202 S CB -0.306 62.903 63.200 0.015 0.000 1.234 202 S HN 1.026 nan 8.310 nan 0.000 0.799 203 I N 1.004 121.581 120.570 0.011 0.000 3.969 203 I HA -0.337 3.833 4.170 0.000 0.000 0.133 203 I C 0.066 176.188 176.117 0.009 0.000 0.412 203 I CA 1.877 63.183 61.300 0.010 0.000 1.227 203 I CB -0.792 37.214 38.000 0.010 0.000 1.082 203 I HN 0.496 nan 8.210 nan 0.000 0.204 204 D N 0.181 120.586 120.400 0.008 0.000 2.389 204 D HA 0.043 4.683 4.640 0.000 0.000 0.206 204 D C 0.905 177.210 176.300 0.009 0.000 1.055 204 D CA 0.513 54.517 54.000 0.007 0.000 0.856 204 D CB 0.012 40.815 40.800 0.005 0.000 0.957 204 D HN 0.402 nan 8.370 nan 0.000 0.509 205 D N 0.337 120.744 120.400 0.012 0.000 2.342 205 D HA -0.001 4.639 4.640 0.000 0.000 0.221 205 D C 0.241 176.554 176.300 0.022 0.000 1.101 205 D CA 0.212 54.222 54.000 0.017 0.000 0.837 205 D CB -0.004 40.807 40.800 0.018 0.000 0.938 205 D HN 0.087 nan 8.370 nan 0.000 0.508 206 T N -0.331 114.233 114.554 0.017 0.000 2.799 206 T HA 0.333 4.683 4.350 0.000 0.000 0.296 206 T C 0.206 174.916 174.700 0.018 0.000 0.947 206 T CA -0.658 61.452 62.100 0.017 0.000 1.141 206 T CB 0.917 69.791 68.868 0.010 0.000 0.891 206 T HN 0.181 nan 8.240 nan 0.000 0.533 207 E N 2.564 122.778 120.200 0.024 0.000 2.299 207 E HA 0.600 4.950 4.350 0.000 0.000 0.265 207 E C -1.146 175.466 176.600 0.019 0.000 0.911 207 E CA -1.429 54.986 56.400 0.025 0.000 0.789 207 E CB 1.458 31.182 29.700 0.041 0.000 1.246 207 E HN 0.475 nan 8.360 nan 0.000 0.427 208 L N 2.353 123.585 121.223 0.014 0.000 2.265 208 L HA 0.414 4.754 4.340 0.000 0.000 0.288 208 L C -1.159 175.719 176.870 0.013 0.000 1.058 208 L CA -0.210 54.633 54.840 0.006 0.000 0.809 208 L CB 0.512 42.571 42.059 0.001 0.000 1.179 208 L HN 0.589 nan 8.230 nan 0.000 0.429 209 I N 5.583 126.157 120.570 0.006 0.000 2.312 209 I HA 0.250 4.420 4.170 0.000 0.000 0.290 209 I C 0.290 176.404 176.117 -0.005 0.000 1.008 209 I CA -0.437 60.871 61.300 0.013 0.000 1.226 209 I CB 0.841 38.844 38.000 0.006 0.000 1.371 209 I HN 0.539 nan 8.210 nan 0.000 0.468 210 K N 5.934 126.336 120.400 0.004 0.000 2.278 210 K HA 0.421 4.741 4.320 0.000 0.000 0.237 210 K C 0.326 176.921 176.600 -0.008 0.000 1.229 210 K CA -0.265 56.017 56.287 -0.009 0.000 1.155 210 K CB 0.247 32.745 32.500 -0.003 0.000 1.590 210 K HN 0.909 nan 8.250 nan 0.000 0.290 211 G N -0.518 108.267 108.800 -0.025 0.000 2.393 211 G HA2 0.279 4.239 3.960 0.000 0.000 0.264 211 G HA3 0.279 4.239 3.960 0.000 0.000 0.264 211 G C -1.591 173.266 174.900 -0.071 0.000 1.221 211 G CA -0.597 44.482 45.100 -0.035 0.000 0.912 211 G HN 0.084 nan 8.290 nan 0.000 0.483 212 V N 0.037 119.893 119.914 -0.097 0.000 2.962 212 V HA 0.720 4.840 4.120 0.000 0.000 0.313 212 V C -1.096 174.888 176.094 -0.183 0.000 1.099 212 V CA -0.692 61.523 62.300 -0.142 0.000 0.971 212 V CB 1.967 33.688 31.823 -0.172 0.000 1.028 212 V HN 0.710 nan 8.190 nan 0.000 0.430 213 L N 3.633 124.724 121.223 -0.221 0.000 2.294 213 L HA 0.611 4.952 4.340 0.000 0.000 0.283 213 L C -0.548 176.201 176.870 -0.202 0.000 1.015 213 L CA 0.000 54.658 54.840 -0.304 0.000 0.831 213 L CB 1.542 43.363 42.059 -0.396 0.000 1.217 213 L HN 0.490 nan 8.230 nan 0.000 0.420 214 V N 3.652 123.480 119.914 -0.143 0.000 2.383 214 V HA 0.196 4.316 4.120 0.000 0.000 0.275 214 V C 0.272 176.359 176.094 -0.012 0.000 1.036 214 V CA -0.608 61.650 62.300 -0.071 0.000 0.889 214 V CB 1.368 33.178 31.823 -0.023 0.000 0.985 214 V HN 0.605 nan 8.190 nan 0.000 0.459 215 D N 4.456 124.847 120.400 -0.016 0.000 2.941 215 D HA 0.113 4.753 4.640 0.000 0.000 0.236 215 D C 0.267 176.590 176.300 0.038 0.000 1.147 215 D CA 0.581 54.584 54.000 0.005 0.000 0.975 215 D CB -0.143 40.652 40.800 -0.008 0.000 1.162 215 D HN 0.421 nan 8.370 nan 0.000 0.444 216 K N 0.203 120.646 120.400 0.071 0.000 2.466 216 K HA 0.406 4.726 4.320 0.000 0.000 0.260 216 K C -0.393 176.259 176.600 0.086 0.000 1.011 216 K CA -0.666 55.671 56.287 0.083 0.000 0.871 216 K CB 2.082 34.651 32.500 0.115 0.000 1.404 216 K HN 0.077 nan 8.250 nan 0.000 0.450 217 E N 0.958 121.194 120.200 0.061 0.000 2.281 217 E HA 0.289 4.639 4.350 0.000 0.000 0.257 217 E C -0.604 176.009 176.600 0.022 0.000 0.971 217 E CA -1.066 55.363 56.400 0.048 0.000 0.839 217 E CB 1.294 31.015 29.700 0.035 0.000 1.238 217 E HN 0.403 nan 8.360 nan 0.000 0.412 218 R N 0.852 121.355 120.500 0.005 0.000 2.522 218 R HA 0.036 4.376 4.340 0.000 0.000 0.284 218 R C 0.687 176.975 176.300 -0.020 0.000 1.032 218 R CA -0.120 55.963 56.100 -0.028 0.000 1.049 218 R CB 0.512 30.795 30.300 -0.029 0.000 0.956 218 R HN 0.435 nan 8.270 nan 0.000 0.422 219 V N 2.244 122.139 119.914 -0.031 0.000 2.490 219 V HA -0.132 3.988 4.120 0.000 0.000 0.250 219 V C 0.699 176.785 176.094 -0.013 0.000 1.061 219 V CA 2.237 64.527 62.300 -0.017 0.000 1.064 219 V CB 0.026 31.837 31.823 -0.020 0.000 0.670 219 V HN 0.893 nan 8.190 nan 0.000 0.461 220 S N -1.747 113.941 115.700 -0.019 0.000 2.500 220 S HA 0.665 5.136 4.470 0.000 0.000 0.301 220 S C 0.777 175.369 174.600 -0.013 0.000 1.092 220 S CA -0.174 58.018 58.200 -0.013 0.000 1.030 220 S CB 1.743 64.935 63.200 -0.013 0.000 1.031 220 S HN 0.564 nan 8.310 nan 0.000 0.483 221 A N 3.373 126.189 122.820 -0.007 0.000 2.121 221 A HA -0.036 4.284 4.320 0.000 0.000 0.218 221 A C 1.838 179.417 177.584 -0.009 0.000 1.154 221 A CA 1.218 53.251 52.037 -0.006 0.000 0.679 221 A CB -0.491 18.508 19.000 -0.002 0.000 0.795 221 A HN 0.886 nan 8.150 nan 0.000 0.458 222 Q N -0.973 118.821 119.800 -0.010 0.000 2.435 222 Q HA 0.099 4.439 4.340 0.000 0.000 0.207 222 Q C 0.231 176.217 176.000 -0.023 0.000 0.956 222 Q CA 0.012 55.807 55.803 -0.014 0.000 0.917 222 Q CB -0.096 28.634 28.738 -0.012 0.000 0.997 222 Q HN 0.702 nan 8.270 nan 0.000 0.497 223 M N 1.661 121.246 119.600 -0.026 0.000 2.242 223 M HA 0.235 4.715 4.480 0.000 0.000 0.344 223 M C -2.071 174.213 176.300 -0.026 0.000 1.140 223 M CA -1.934 53.347 55.300 -0.032 0.000 1.160 223 M CB 0.581 33.156 32.600 -0.041 0.000 1.491 223 M HN -0.104 nan 8.290 nan 0.000 0.459 224 P HA 0.013 nan 4.420 nan 0.000 0.270 224 P C -0.454 176.836 177.300 -0.016 0.000 1.227 224 P CA 0.011 63.100 63.100 -0.019 0.000 0.788 224 P CB 0.506 32.196 31.700 -0.018 0.000 0.926 225 K N 0.457 120.851 120.400 -0.010 0.000 2.438 225 K HA 0.170 4.490 4.320 0.000 0.000 0.206 225 K C -0.122 176.478 176.600 0.001 0.000 1.081 225 K CA 0.066 56.351 56.287 -0.004 0.000 1.053 225 K CB 0.442 32.939 32.500 -0.005 0.000 0.908 225 K HN 0.229 nan 8.250 nan 0.000 0.556 226 K N 1.205 121.605 120.400 -0.001 0.000 2.619 226 K HA 0.226 4.547 4.320 0.000 0.000 0.251 226 K C -1.896 174.707 176.600 0.006 0.000 0.987 226 K CA -0.594 55.695 56.287 0.003 0.000 0.844 226 K CB 2.049 34.545 32.500 -0.006 0.000 1.237 226 K HN -0.116 nan 8.250 nan 0.000 0.447 227 V N 2.899 122.822 119.914 0.016 0.000 2.487 227 V HA 0.444 4.564 4.120 0.000 0.000 0.298 227 V C -0.065 176.043 176.094 0.023 0.000 1.028 227 V CA -0.789 61.521 62.300 0.016 0.000 0.860 227 V CB 1.615 33.448 31.823 0.017 0.000 0.991 227 V HN 0.893 nan 8.190 nan 0.000 0.427 228 T N 0.092 114.656 114.554 0.018 0.000 2.867 228 T HA 0.443 4.793 4.350 0.000 0.000 0.282 228 T C -0.100 174.613 174.700 0.022 0.000 1.000 228 T CA -0.539 61.573 62.100 0.020 0.000 1.042 228 T CB 1.175 70.051 68.868 0.014 0.000 0.973 228 T HN 0.712 nan 8.240 nan 0.000 0.465 229 D N 0.391 120.806 120.400 0.026 0.000 2.704 229 D HA -0.150 4.490 4.640 0.000 0.000 0.232 229 D C 0.336 176.653 176.300 0.028 0.000 1.183 229 D CA 0.954 54.970 54.000 0.027 0.000 0.647 229 D CB -1.212 39.600 40.800 0.020 0.000 1.013 229 D HN 1.038 nan 8.370 nan 0.000 0.415 230 A N 0.747 123.589 122.820 0.036 0.000 2.354 230 A HA 0.413 4.733 4.320 0.000 0.000 0.269 230 A C 0.471 178.081 177.584 0.043 0.000 1.109 230 A CA -0.311 51.748 52.037 0.038 0.000 0.800 230 A CB 0.766 19.794 19.000 0.046 0.000 1.045 230 A HN 0.072 nan 8.150 nan 0.000 0.489 231 K N 2.002 122.424 120.400 0.037 0.000 2.253 231 K HA 0.532 4.853 4.320 0.000 0.000 0.277 231 K C -0.934 175.697 176.600 0.051 0.000 1.053 231 K CA 0.325 56.636 56.287 0.040 0.000 0.892 231 K CB 1.052 33.569 32.500 0.028 0.000 1.102 231 K HN 0.548 nan 8.250 nan 0.000 0.469 232 I N 2.424 123.038 120.570 0.073 0.000 2.336 232 I HA 0.415 4.585 4.170 0.000 0.000 0.292 232 I C -0.109 176.068 176.117 0.100 0.000 0.991 232 I CA -0.933 60.434 61.300 0.111 0.000 1.227 232 I CB 1.685 39.786 38.000 0.168 0.000 1.366 232 I HN 0.586 nan 8.210 nan 0.000 0.466 233 A N 7.327 130.205 122.820 0.097 0.000 2.317 233 A HA 0.815 5.135 4.320 0.000 0.000 0.327 233 A C -0.976 176.677 177.584 0.115 0.000 1.178 233 A CA -0.452 51.633 52.037 0.080 0.000 0.817 233 A CB 0.896 19.925 19.000 0.048 0.000 1.189 233 A HN 0.563 nan 8.150 nan 0.000 0.489 234 L N 2.449 123.729 121.223 0.097 0.000 2.325 234 L HA 0.532 4.872 4.340 0.000 0.000 0.281 234 L C -0.562 176.352 176.870 0.073 0.000 1.004 234 L CA 0.222 55.126 54.840 0.107 0.000 0.823 234 L CB 1.445 43.551 42.059 0.078 0.000 1.236 234 L HN 0.634 nan 8.230 nan 0.000 0.415 235 L N 3.134 124.404 121.223 0.078 0.000 2.349 235 L HA 0.457 4.797 4.340 0.000 0.000 0.278 235 L C 0.674 177.574 176.870 0.050 0.000 0.996 235 L CA -0.450 54.422 54.840 0.054 0.000 0.825 235 L CB 1.789 43.876 42.059 0.047 0.000 1.243 235 L HN 0.541 nan 8.230 nan 0.000 0.412 236 N N 0.851 119.573 118.700 0.037 0.000 2.422 236 N HA -0.012 4.728 4.740 0.000 0.000 0.181 236 N C 0.190 175.717 175.510 0.027 0.000 1.080 236 N CA 0.036 53.104 53.050 0.030 0.000 0.893 236 N CB 0.291 38.791 38.487 0.023 0.000 0.973 236 N HN 0.546 nan 8.380 nan 0.000 0.456 237 C N 0.877 120.193 119.300 0.028 0.000 2.534 237 C HA 0.749 5.209 4.460 0.000 0.000 0.385 237 C C 0.439 175.446 174.990 0.027 0.000 1.264 237 C CA -0.817 58.216 59.018 0.025 0.000 2.342 237 C CB -0.457 27.296 27.740 0.023 0.000 2.564 237 C HN 0.460 nan 8.230 nan 0.000 0.603 238 A N 5.334 128.169 122.820 0.025 0.000 2.289 238 A HA 0.541 4.861 4.320 0.000 0.000 0.298 238 A C 0.218 177.819 177.584 0.028 0.000 1.208 238 A CA -0.409 51.644 52.037 0.026 0.000 0.845 238 A CB 0.032 19.047 19.000 0.024 0.000 1.125 238 A HN 0.851 nan 8.150 nan 0.000 0.517 239 I N 2.790 123.378 120.570 0.031 0.000 2.528 239 I HA 0.063 4.233 4.170 0.000 0.000 0.276 239 I C 0.381 176.521 176.117 0.039 0.000 1.056 239 I CA 0.543 61.864 61.300 0.035 0.000 1.858 239 I CB -0.982 37.040 38.000 0.037 0.000 1.448 239 I HN 0.716 nan 8.210 nan 0.000 0.776 240 E N 1.397 121.618 120.200 0.035 0.000 2.428 240 E HA 0.530 4.880 4.350 0.000 0.000 0.259 240 E C -0.411 176.211 176.600 0.036 0.000 0.930 240 E CA -1.131 55.291 56.400 0.037 0.000 0.823 240 E CB 1.882 31.600 29.700 0.030 0.000 1.403 240 E HN 0.041 nan 8.360 nan 0.000 0.415 241 I N 1.499 122.091 120.570 0.036 0.000 2.588 241 I HA 0.060 4.230 4.170 0.000 0.000 0.283 241 I C 0.152 176.286 176.117 0.029 0.000 1.119 241 I CA 0.183 61.504 61.300 0.036 0.000 1.419 241 I CB -0.013 38.010 38.000 0.038 0.000 1.394 241 I HN 0.320 nan 8.210 nan 0.000 0.562 242 K N 6.142 126.558 120.400 0.028 0.000 2.219 242 K HA 0.246 4.566 4.320 0.000 0.000 0.280 242 K C -0.175 176.439 176.600 0.022 0.000 1.104 242 K CA -0.264 56.037 56.287 0.023 0.000 0.925 242 K CB 0.456 32.969 32.500 0.021 0.000 1.261 242 K HN 0.494 nan 8.250 nan 0.000 0.445 243 E N 1.912 122.123 120.200 0.018 0.000 2.316 243 E HA 0.013 4.363 4.350 0.000 0.000 0.275 243 E C 0.100 176.708 176.600 0.013 0.000 1.029 243 E CA -0.292 56.116 56.400 0.014 0.000 0.871 243 E CB 0.771 30.476 29.700 0.010 0.000 1.022 243 E HN 0.459 nan 8.360 nan 0.000 0.418 244 T N 0.712 115.273 114.554 0.012 0.000 2.926 244 T HA 0.028 4.378 4.350 0.000 0.000 0.307 244 T C 1.023 175.728 174.700 0.008 0.000 1.059 244 T CA -0.712 61.395 62.100 0.011 0.000 1.122 244 T CB 1.108 69.983 68.868 0.012 0.000 0.972 244 T HN 0.369 nan 8.240 nan 0.000 0.545 245 E N 1.513 121.718 120.200 0.008 0.000 2.047 245 E HA -0.049 4.301 4.350 0.000 0.000 0.191 245 E C 1.164 177.767 176.600 0.005 0.000 0.987 245 E CA 1.258 57.662 56.400 0.006 0.000 0.799 245 E CB -0.628 29.076 29.700 0.006 0.000 0.752 245 E HN 0.919 nan 8.360 nan 0.000 0.449 246 T N 1.910 116.467 114.554 0.005 0.000 2.784 246 T HA 0.071 4.421 4.350 0.000 0.000 0.291 246 T C 0.085 174.787 174.700 0.003 0.000 0.942 246 T CA -0.629 61.474 62.100 0.004 0.000 1.161 246 T CB 0.524 69.395 68.868 0.005 0.000 0.885 246 T HN -0.178 nan 8.240 nan 0.000 0.534 247 D N 2.675 123.075 120.400 0.001 0.000 2.583 247 D HA 0.333 4.973 4.640 0.000 0.000 0.232 247 D C 0.138 176.436 176.300 -0.004 0.000 1.128 247 D CA 0.582 54.581 54.000 -0.002 0.000 0.859 247 D CB 0.425 41.223 40.800 -0.004 0.000 1.169 247 D HN 0.893 nan 8.370 nan 0.000 0.481 248 A N 2.797 125.613 122.820 -0.006 0.000 2.435 248 A HA 0.610 4.930 4.320 0.000 0.000 0.304 248 A C -0.403 177.167 177.584 -0.022 0.000 1.064 248 A CA -0.653 51.379 52.037 -0.009 0.000 0.727 248 A CB 2.011 21.010 19.000 -0.002 0.000 1.284 248 A HN 0.513 nan 8.150 nan 0.000 0.415 249 E N 1.122 121.303 120.200 -0.031 0.000 2.331 249 E HA 0.585 4.935 4.350 0.000 0.000 0.275 249 E C -1.460 175.092 176.600 -0.081 0.000 0.895 249 E CA -0.490 55.877 56.400 -0.054 0.000 0.753 249 E CB 1.801 31.474 29.700 -0.045 0.000 1.216 249 E HN 0.635 nan 8.360 nan 0.000 0.434 250 I N 2.960 123.443 120.570 -0.146 0.000 2.488 250 I HA 0.429 4.599 4.170 0.000 0.000 0.299 250 I C -0.094 175.903 176.117 -0.201 0.000 0.984 250 I CA -0.809 60.347 61.300 -0.240 0.000 1.250 250 I CB 1.014 38.694 38.000 -0.533 0.000 1.389 250 I HN 0.223 nan 8.210 nan 0.000 0.488 251 R N 5.885 126.296 120.500 -0.149 0.000 2.409 251 R HA 0.541 4.881 4.340 0.000 0.000 0.313 251 R C -1.267 175.009 176.300 -0.041 0.000 0.953 251 R CA -0.867 55.184 56.100 -0.082 0.000 0.849 251 R CB 1.655 31.937 30.300 -0.030 0.000 1.171 251 R HN 0.449 nan 8.270 nan 0.000 0.458 252 I N 1.747 122.294 120.570 -0.038 0.000 2.354 252 I HA 0.216 4.386 4.170 0.000 0.000 0.292 252 I C 1.422 177.560 176.117 0.035 0.000 0.989 252 I CA 0.072 61.394 61.300 0.036 0.000 1.188 252 I CB 1.963 39.985 38.000 0.037 0.000 1.342 252 I HN 0.653 nan 8.210 nan 0.000 0.457 253 T N -0.709 113.876 114.554 0.053 0.000 2.955 253 T HA 0.208 4.558 4.350 0.000 0.000 0.251 253 T C 0.290 175.012 174.700 0.037 0.000 1.002 253 T CA -0.144 61.977 62.100 0.036 0.000 0.970 253 T CB -0.009 68.878 68.868 0.031 0.000 1.091 253 T HN 0.394 nan 8.240 nan 0.000 0.495 254 D N 2.924 123.354 120.400 0.051 0.000 2.233 254 D HA 0.379 5.019 4.640 0.000 0.000 0.240 254 D C -1.370 174.959 176.300 0.048 0.000 1.074 254 D CA -2.559 51.466 54.000 0.042 0.000 0.838 254 D CB 2.175 42.998 40.800 0.039 0.000 1.124 254 D HN -0.090 nan 8.370 nan 0.000 0.475 255 P HA -0.145 nan 4.420 nan 0.000 0.219 255 P C 0.753 178.075 177.300 0.037 0.000 1.146 255 P CA 0.684 63.805 63.100 0.034 0.000 0.808 255 P CB 0.218 31.932 31.700 0.023 0.000 0.779 256 A N -0.082 122.757 122.820 0.031 0.000 2.167 256 A HA -0.030 4.290 4.320 0.000 0.000 0.214 256 A C 2.096 179.698 177.584 0.030 0.000 1.151 256 A CA 0.812 52.864 52.037 0.024 0.000 0.735 256 A CB -0.652 18.355 19.000 0.012 0.000 0.802 256 A HN 0.017 nan 8.150 nan 0.000 0.467 257 K N -0.201 120.234 120.400 0.057 0.000 2.418 257 K HA 0.162 4.482 4.320 0.000 0.000 0.195 257 K C 1.487 178.197 176.600 0.183 0.000 1.035 257 K CA 0.178 56.518 56.287 0.088 0.000 1.003 257 K CB -0.208 32.383 32.500 0.152 0.000 0.793 257 K HN 0.525 nan 8.250 nan 0.000 0.494 258 L N 0.335 121.643 121.223 0.142 0.000 1.976 258 L HA -0.169 4.171 4.340 0.000 0.000 0.209 258 L C 2.360 179.313 176.870 0.138 0.000 1.071 258 L CA 1.149 56.079 54.840 0.150 0.000 0.746 258 L CB -0.404 41.705 42.059 0.082 0.000 0.890 258 L HN 0.127 nan 8.230 nan 0.000 0.432 259 M N -0.719 118.927 119.600 0.077 0.000 2.358 259 M HA -0.168 4.312 4.480 0.000 0.000 0.264 259 M C 2.055 178.376 176.300 0.034 0.000 1.064 259 M CA 1.374 56.705 55.300 0.052 0.000 1.093 259 M CB -0.990 31.627 32.600 0.028 0.000 1.401 259 M HN 0.309 nan 8.290 nan 0.000 0.440 260 E N -0.245 119.956 120.200 0.003 0.000 2.031 260 E HA -0.178 4.172 4.350 0.000 0.000 0.193 260 E C 1.939 178.459 176.600 -0.133 0.000 0.994 260 E CA 1.391 57.718 56.400 -0.120 0.000 0.800 260 E CB -0.173 29.365 29.700 -0.271 0.000 0.752 260 E HN 0.429 nan 8.360 nan 0.000 0.447 261 F N 0.697 120.652 119.950 0.008 0.000 2.146 261 F HA -0.111 4.416 4.527 0.000 0.000 0.298 261 F C 2.294 178.101 175.800 0.012 0.000 1.096 261 F CA 0.700 58.705 58.000 0.009 0.000 1.275 261 F CB -0.197 38.807 39.000 0.007 0.000 1.008 261 F HN -0.022 nan 8.300 nan 0.000 0.480 262 I N 0.042 120.734 120.570 0.202 0.000 2.163 262 I HA -0.285 3.885 4.170 0.000 0.000 0.243 262 I C 2.128 178.295 176.117 0.084 0.000 1.085 262 I CA 1.621 62.993 61.300 0.120 0.000 1.347 262 I CB -0.552 37.501 38.000 0.088 0.000 1.044 262 I HN 0.151 nan 8.210 nan 0.000 0.408 263 E N 0.108 120.342 120.200 0.058 0.000 2.204 263 E HA -0.270 4.080 4.350 0.000 0.000 0.194 263 E C 2.072 178.686 176.600 0.025 0.000 0.989 263 E CA 0.837 57.259 56.400 0.037 0.000 0.824 263 E CB -0.008 29.701 29.700 0.015 0.000 0.756 263 E HN 0.392 nan 8.360 nan 0.000 0.477 264 Q N 1.185 120.995 119.800 0.016 0.000 2.137 264 Q HA -0.137 4.203 4.340 0.000 0.000 0.198 264 Q C 1.738 177.762 176.000 0.040 0.000 0.960 264 Q CA 1.395 57.201 55.803 0.005 0.000 0.847 264 Q CB 0.101 28.817 28.738 -0.035 0.000 0.915 264 Q HN 0.202 nan 8.270 nan 0.000 0.448 265 E N 0.040 120.285 120.200 0.076 0.000 2.072 265 E HA -0.202 4.148 4.350 0.000 0.000 0.191 265 E C 1.510 178.152 176.600 0.071 0.000 0.985 265 E CA 1.280 57.728 56.400 0.080 0.000 0.801 265 E CB 0.020 29.778 29.700 0.096 0.000 0.750 265 E HN 0.685 nan 8.360 nan 0.000 0.452 266 E N 0.333 120.581 120.200 0.080 0.000 2.482 266 E HA -0.140 4.210 4.350 0.000 0.000 0.196 266 E C 1.839 178.480 176.600 0.069 0.000 1.047 266 E CA 0.461 56.927 56.400 0.111 0.000 0.869 266 E CB 0.018 29.805 29.700 0.144 0.000 0.836 266 E HN 0.015 nan 8.360 nan 0.000 0.520 267 K N 0.713 121.127 120.400 0.025 0.000 2.305 267 K HA 0.043 4.363 4.320 0.000 0.000 0.199 267 K C 1.868 178.448 176.600 -0.033 0.000 1.047 267 K CA 0.453 56.724 56.287 -0.026 0.000 0.976 267 K CB 0.081 32.567 32.500 -0.023 0.000 0.765 267 K HN 0.179 nan 8.250 nan 0.000 0.474 268 M N 0.262 119.862 119.600 0.001 0.000 2.349 268 M HA -0.073 4.407 4.480 0.000 0.000 0.266 268 M C 1.408 177.711 176.300 0.004 0.000 1.076 268 M CA 0.646 55.949 55.300 0.004 0.000 1.126 268 M CB 0.115 32.729 32.600 0.023 0.000 1.392 268 M HN 0.076 nan 8.290 nan 0.000 0.440 269 L N 0.301 121.539 121.223 0.024 0.000 2.209 269 L HA -0.025 4.315 4.340 0.000 0.000 0.207 269 L C 2.145 178.991 176.870 -0.041 0.000 1.094 269 L CA 1.657 56.529 54.840 0.054 0.000 0.790 269 L CB -0.650 41.505 42.059 0.159 0.000 0.932 269 L HN 0.154 nan 8.230 nan 0.000 0.447 270 K N -0.444 119.830 120.400 -0.210 0.000 2.097 270 K HA -0.148 4.172 4.320 0.000 0.000 0.205 270 K C 1.582 178.049 176.600 -0.220 0.000 1.050 270 K CA 1.268 57.283 56.287 -0.455 0.000 0.938 270 K CB -0.072 32.112 32.500 -0.527 0.000 0.718 270 K HN 0.262 nan 8.250 nan 0.000 0.442 271 D N 0.745 121.071 120.400 -0.124 0.000 2.117 271 D HA -0.127 4.513 4.640 0.000 0.000 0.198 271 D C 1.874 178.144 176.300 -0.049 0.000 0.982 271 D CA 1.265 55.221 54.000 -0.074 0.000 0.828 271 D CB -0.060 40.712 40.800 -0.047 0.000 0.967 271 D HN 0.178 nan 8.370 nan 0.000 0.464 272 M N 0.134 119.716 119.600 -0.031 0.000 2.117 272 M HA -0.123 4.357 4.480 0.000 0.000 0.262 272 M C 2.286 178.582 176.300 -0.006 0.000 1.065 272 M CA 0.874 56.169 55.300 -0.008 0.000 1.114 272 M CB -0.080 32.528 32.600 0.012 0.000 1.361 272 M HN -0.117 nan 8.290 nan 0.000 0.408 273 V N 0.224 120.132 119.914 -0.010 0.000 2.515 273 V HA -0.189 3.931 4.120 0.000 0.000 0.250 273 V C 2.515 178.596 176.094 -0.021 0.000 1.058 273 V CA 1.819 64.119 62.300 0.001 0.000 1.064 273 V CB -1.108 30.738 31.823 0.038 0.000 0.675 273 V HN 0.509 nan 8.190 nan 0.000 0.461 274 A N -0.562 122.229 122.820 -0.048 0.000 2.066 274 A HA -0.138 4.182 4.320 0.000 0.000 0.218 274 A C 2.124 179.692 177.584 -0.027 0.000 1.157 274 A CA 1.255 53.266 52.037 -0.044 0.000 0.670 274 A CB -0.306 18.656 19.000 -0.064 0.000 0.804 274 A HN 0.610 nan 8.150 nan 0.000 0.453 275 E N -0.498 119.689 120.200 -0.021 0.000 2.216 275 E HA 0.013 4.363 4.350 0.000 0.000 0.192 275 E C 1.564 178.161 176.600 -0.005 0.000 0.988 275 E CA 0.608 57.001 56.400 -0.012 0.000 0.834 275 E CB -0.088 29.607 29.700 -0.008 0.000 0.772 275 E HN 0.700 nan 8.360 nan 0.000 0.479 276 I N 0.959 121.527 120.570 -0.003 0.000 2.406 276 I HA -0.170 4.000 4.170 0.000 0.000 0.249 276 I C 2.428 178.545 176.117 -0.001 0.000 1.122 276 I CA 0.765 62.066 61.300 0.002 0.000 1.431 276 I CB -0.019 37.984 38.000 0.004 0.000 1.087 276 I HN -0.058 nan 8.210 nan 0.000 0.424 277 K N 1.496 121.893 120.400 -0.005 0.000 2.283 277 K HA -0.084 4.236 4.320 0.000 0.000 0.202 277 K C 2.056 178.653 176.600 -0.005 0.000 1.048 277 K CA 1.031 57.314 56.287 -0.006 0.000 0.948 277 K CB 0.056 32.550 32.500 -0.010 0.000 0.742 277 K HN 0.289 nan 8.250 nan 0.000 0.458 278 A N 0.750 123.566 122.820 -0.006 0.000 2.014 278 A HA -0.106 4.214 4.320 0.000 0.000 0.218 278 A C 1.974 179.558 177.584 -0.001 0.000 1.163 278 A CA 1.739 53.773 52.037 -0.005 0.000 0.652 278 A CB -0.353 18.643 19.000 -0.007 0.000 0.808 278 A HN 0.478 nan 8.150 nan 0.000 0.449 279 S N -2.156 113.545 115.700 0.002 0.000 2.470 279 S HA 0.354 4.824 4.470 0.000 0.000 0.225 279 S C 1.459 176.063 174.600 0.007 0.000 1.006 279 S CA 1.133 59.336 58.200 0.006 0.000 0.934 279 S CB -0.175 63.030 63.200 0.009 0.000 0.778 279 S HN 1.844 nan 8.310 nan 0.000 0.517 280 G N 0.683 109.486 108.800 0.005 0.000 2.144 280 G HA2 0.020 3.980 3.960 0.000 0.000 0.218 280 G HA3 0.020 3.980 3.960 0.000 0.000 0.218 280 G C 0.097 175.002 174.900 0.007 0.000 0.988 280 G CA -0.213 44.890 45.100 0.005 0.000 0.659 280 G HN 1.195 nan 8.290 nan 0.000 0.522 281 A N 0.489 123.314 122.820 0.009 0.000 2.366 281 A HA 0.631 4.951 4.320 0.000 0.000 0.272 281 A C 1.010 178.595 177.584 0.003 0.000 1.135 281 A CA 0.478 52.522 52.037 0.012 0.000 0.804 281 A CB 0.302 19.313 19.000 0.017 0.000 1.064 281 A HN 0.974 nan 8.150 nan 0.000 0.499 282 N N 1.220 119.922 118.700 0.002 0.000 2.177 282 N HA 0.191 4.931 4.740 0.000 0.000 0.218 282 N C -0.761 174.735 175.510 -0.024 0.000 1.182 282 N CA 0.001 53.046 53.050 -0.009 0.000 0.882 282 N CB 0.595 39.079 38.487 -0.004 0.000 1.052 282 N HN 0.223 nan 8.380 nan 0.000 0.519 283 V N 1.036 120.935 119.914 -0.024 0.000 2.777 283 V HA 0.488 4.608 4.120 0.000 0.000 0.306 283 V C -1.607 174.439 176.094 -0.081 0.000 1.112 283 V CA -0.916 61.341 62.300 -0.071 0.000 0.917 283 V CB 2.378 34.182 31.823 -0.031 0.000 1.018 283 V HN 0.158 nan 8.190 nan 0.000 0.426 284 L N 4.988 126.086 121.223 -0.210 0.000 2.409 284 L HA 0.726 5.066 4.340 0.000 0.000 0.272 284 L C -1.689 174.990 176.870 -0.319 0.000 0.980 284 L CA 0.051 54.799 54.840 -0.152 0.000 0.826 284 L CB 1.664 43.671 42.059 -0.087 0.000 1.268 284 L HN 0.499 nan 8.230 nan 0.000 0.407 285 F N 4.982 124.940 119.950 0.013 0.000 2.382 285 F HA 0.441 4.968 4.527 0.000 0.000 0.361 285 F C 0.031 175.838 175.800 0.010 0.000 1.109 285 F CA -0.375 57.632 58.000 0.011 0.000 1.031 285 F CB 1.418 40.422 39.000 0.008 0.000 1.234 285 F HN 0.504 nan 8.300 nan 0.000 0.445 286 C N 4.357 123.746 119.300 0.148 0.000 2.350 286 C HA 0.241 4.701 4.460 0.000 0.000 0.348 286 C C 1.564 176.612 174.990 0.097 0.000 1.260 286 C CA -0.254 58.822 59.018 0.097 0.000 1.966 286 C CB 0.903 28.674 27.740 0.052 0.000 2.380 286 C HN 1.039 nan 8.230 nan 0.000 0.535 287 Q N 2.701 122.545 119.800 0.073 0.000 2.163 287 Q HA 0.042 4.382 4.340 0.000 0.000 0.198 287 Q C 0.948 176.973 176.000 0.042 0.000 0.954 287 Q CA 1.014 56.850 55.803 0.055 0.000 0.851 287 Q CB 0.214 28.976 28.738 0.040 0.000 0.928 287 Q HN 0.655 nan 8.270 nan 0.000 0.459 288 K N -0.193 120.230 120.400 0.038 0.000 2.760 288 K HA 0.354 4.674 4.320 0.000 0.000 0.285 288 K C 0.165 176.784 176.600 0.031 0.000 1.016 288 K CA -0.011 56.294 56.287 0.031 0.000 1.087 288 K CB -0.377 32.139 32.500 0.026 0.000 1.427 288 K HN 0.152 nan 8.250 nan 0.000 0.524 289 G N 0.282 109.098 108.800 0.026 0.000 2.476 289 G HA2 0.533 4.493 3.960 0.000 0.000 0.286 289 G HA3 0.533 4.493 3.960 0.000 0.000 0.286 289 G C -0.433 174.483 174.900 0.026 0.000 1.177 289 G CA -0.570 44.545 45.100 0.024 0.000 0.870 289 G HN 0.312 nan 8.290 nan 0.000 0.528 290 I N 1.051 121.635 120.570 0.024 0.000 2.406 290 I HA 0.174 4.344 4.170 0.000 0.000 0.290 290 I C -0.289 175.844 176.117 0.026 0.000 0.999 290 I CA -0.819 60.496 61.300 0.026 0.000 1.124 290 I CB 1.921 39.933 38.000 0.021 0.000 1.289 290 I HN 0.365 nan 8.210 nan 0.000 0.441 291 D N 4.359 124.779 120.400 0.034 0.000 2.423 291 D HA -0.071 4.569 4.640 0.000 0.000 0.238 291 D C 0.653 176.972 176.300 0.031 0.000 1.142 291 D CA 0.335 54.356 54.000 0.034 0.000 0.884 291 D CB 1.311 42.139 40.800 0.046 0.000 1.199 291 D HN 0.518 nan 8.370 nan 0.000 0.438 292 D N 2.156 122.566 120.400 0.017 0.000 2.144 292 D HA -0.107 4.533 4.640 0.000 0.000 0.199 292 D C 2.098 178.391 176.300 -0.011 0.000 0.984 292 D CA 0.704 54.705 54.000 0.001 0.000 0.834 292 D CB 0.101 40.895 40.800 -0.011 0.000 0.955 292 D HN 0.419 nan 8.370 nan 0.000 0.465 293 L N 0.293 121.512 121.223 -0.006 0.000 2.042 293 L HA -0.169 4.171 4.340 0.000 0.000 0.210 293 L C 2.500 179.362 176.870 -0.012 0.000 1.076 293 L CA 1.330 56.141 54.840 -0.048 0.000 0.749 293 L CB -0.373 41.718 42.059 0.054 0.000 0.893 293 L HN -0.020 nan 8.230 nan 0.000 0.432 294 A N -0.790 122.100 122.820 0.117 0.000 2.015 294 A HA -0.207 4.113 4.320 0.000 0.000 0.219 294 A C 2.198 179.840 177.584 0.097 0.000 1.163 294 A CA 1.226 53.373 52.037 0.183 0.000 0.646 294 A CB -0.342 18.740 19.000 0.136 0.000 0.806 294 A HN 0.496 nan 8.150 nan 0.000 0.448 295 Q N -1.358 118.467 119.800 0.042 0.000 2.119 295 Q HA -0.182 4.158 4.340 0.000 0.000 0.201 295 Q C 2.111 178.111 176.000 -0.001 0.000 0.972 295 Q CA 1.382 57.195 55.803 0.016 0.000 0.847 295 Q CB -0.349 28.394 28.738 0.009 0.000 0.903 295 Q HN 0.915 nan 8.270 nan 0.000 0.433 296 H N -0.365 118.623 119.070 -0.136 0.000 2.357 296 H HA -0.145 4.411 4.556 0.000 0.000 0.301 296 H C 1.286 176.515 175.328 -0.166 0.000 1.082 296 H CA 1.416 57.340 56.048 -0.205 0.000 1.342 296 H CB 0.163 29.720 29.762 -0.342 0.000 1.389 296 H HN 0.286 nan 8.280 nan 0.000 0.511 297 Y N 0.620 120.872 120.300 -0.081 0.000 2.263 297 Y HA -0.073 4.477 4.550 0.000 0.000 0.292 297 Y C 2.894 178.723 175.900 -0.117 0.000 1.130 297 Y CA 0.484 58.510 58.100 -0.123 0.000 1.179 297 Y CB -0.485 37.970 38.460 -0.009 0.000 0.998 297 Y HN 0.105 nan 8.280 nan 0.000 0.532 298 L N -0.777 120.485 121.223 0.065 0.000 2.046 298 L HA -0.231 4.109 4.340 0.000 0.000 0.208 298 L C 2.594 179.441 176.870 -0.039 0.000 1.077 298 L CA 1.295 56.142 54.840 0.010 0.000 0.747 298 L CB -0.710 41.351 42.059 0.004 0.000 0.896 298 L HN 0.215 nan 8.230 nan 0.000 0.432 299 A N -0.558 122.215 122.820 -0.078 0.000 2.015 299 A HA -0.215 4.105 4.320 0.000 0.000 0.219 299 A C 2.363 179.882 177.584 -0.108 0.000 1.163 299 A CA 1.542 53.526 52.037 -0.089 0.000 0.646 299 A CB -0.349 18.596 19.000 -0.091 0.000 0.806 299 A HN 0.313 nan 8.150 nan 0.000 0.448 300 K N -0.376 119.927 120.400 -0.162 0.000 2.217 300 K HA -0.083 4.237 4.320 0.000 0.000 0.202 300 K C 1.314 177.879 176.600 -0.059 0.000 1.051 300 K CA 1.128 57.331 56.287 -0.139 0.000 0.952 300 K CB 0.016 32.396 32.500 -0.199 0.000 0.736 300 K HN 0.400 nan 8.250 nan 0.000 0.453 301 E N -0.737 119.440 120.200 -0.039 0.000 2.371 301 E HA -0.009 4.342 4.350 0.000 0.000 0.194 301 E C 0.994 177.579 176.600 -0.024 0.000 1.012 301 E CA 0.901 57.289 56.400 -0.021 0.000 0.860 301 E CB 0.622 30.316 29.700 -0.009 0.000 0.811 301 E HN 0.562 nan 8.360 nan 0.000 0.502 302 G N 1.720 110.501 108.800 -0.032 0.000 2.144 302 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 302 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 302 G C 0.252 175.134 174.900 -0.030 0.000 0.988 302 G CA -0.026 45.057 45.100 -0.029 0.000 0.659 302 G HN 0.216 nan 8.290 nan 0.000 0.522 303 I N 1.823 122.373 120.570 -0.033 0.000 2.322 303 I HA 0.301 4.471 4.170 0.000 0.000 0.292 303 I C 0.819 176.900 176.117 -0.060 0.000 1.060 303 I CA -0.872 60.404 61.300 -0.040 0.000 1.309 303 I CB 1.401 39.383 38.000 -0.031 0.000 1.415 303 I HN -0.117 nan 8.210 nan 0.000 0.492 304 V N 6.642 126.510 119.914 -0.076 0.000 2.470 304 V HA 0.437 4.557 4.120 0.000 0.000 0.276 304 V C 0.644 176.630 176.094 -0.180 0.000 1.040 304 V CA -0.125 62.109 62.300 -0.109 0.000 1.008 304 V CB 0.519 32.278 31.823 -0.106 0.000 0.990 304 V HN 0.852 nan 8.190 nan 0.000 0.477 305 A N 4.491 127.207 122.820 -0.173 0.000 2.454 305 A HA 0.992 5.312 4.320 0.000 0.000 0.302 305 A C -0.373 177.089 177.584 -0.204 0.000 1.079 305 A CA -0.349 51.563 52.037 -0.209 0.000 0.731 305 A CB 1.995 20.929 19.000 -0.111 0.000 1.299 305 A HN 1.374 nan 8.150 nan 0.000 0.413 306 A N 1.506 124.191 122.820 -0.225 0.000 2.381 306 A HA 0.722 5.042 4.320 0.000 0.000 0.299 306 A C -0.204 177.382 177.584 0.003 0.000 1.049 306 A CA -0.728 51.250 52.037 -0.097 0.000 0.715 306 A CB 0.900 19.854 19.000 -0.078 0.000 1.222 306 A HN 1.147 nan 8.150 nan 0.000 0.428 307 R N 1.711 122.224 120.500 0.021 0.000 2.536 307 R HA 0.753 5.093 4.340 0.000 0.000 0.279 307 R C -0.451 175.879 176.300 0.051 0.000 1.001 307 R CA -0.793 55.328 56.100 0.036 0.000 1.027 307 R CB 0.640 30.954 30.300 0.022 0.000 1.096 307 R HN 0.662 nan 8.270 nan 0.000 0.502 308 R N 0.163 120.692 120.500 0.049 0.000 3.127 308 R HA -0.132 4.208 4.340 0.000 0.000 0.247 308 R C -0.796 175.537 176.300 0.055 0.000 0.896 308 R CA 0.489 56.616 56.100 0.044 0.000 0.624 308 R CB -1.614 28.705 30.300 0.032 0.000 1.154 308 R HN 0.430 nan 8.270 nan 0.000 0.474 309 V N 2.376 122.335 119.914 0.076 0.000 2.546 309 V HA 0.112 4.232 4.120 0.000 0.000 0.284 309 V C 1.133 177.249 176.094 0.036 0.000 1.050 309 V CA -0.512 61.835 62.300 0.078 0.000 0.981 309 V CB 1.510 33.415 31.823 0.136 0.000 0.990 309 V HN 0.165 nan 8.190 nan 0.000 0.474 310 K N 3.336 123.745 120.400 0.015 0.000 2.527 310 K HA -0.042 4.279 4.320 0.000 0.000 0.278 310 K C 1.280 177.876 176.600 -0.008 0.000 0.981 310 K CA 0.258 56.545 56.287 0.000 0.000 1.009 310 K CB 0.450 32.943 32.500 -0.011 0.000 0.895 310 K HN 0.619 nan 8.250 nan 0.000 0.493 311 K N 1.678 122.075 120.400 -0.005 0.000 2.152 311 K HA -0.179 4.141 4.320 0.000 0.000 0.206 311 K C 1.656 178.244 176.600 -0.020 0.000 1.048 311 K CA 1.891 58.173 56.287 -0.008 0.000 0.933 311 K CB 0.124 32.621 32.500 -0.004 0.000 0.721 311 K HN 0.628 nan 8.250 nan 0.000 0.447 312 S N 0.132 115.817 115.700 -0.025 0.000 2.414 312 S HA -0.076 4.394 4.470 0.000 0.000 0.227 312 S C 1.432 176.001 174.600 -0.052 0.000 1.022 312 S CA 0.913 59.093 58.200 -0.034 0.000 0.958 312 S CB -0.065 63.117 63.200 -0.030 0.000 0.797 312 S HN 0.259 nan 8.310 nan 0.000 0.493 313 D N 1.285 121.648 120.400 -0.061 0.000 2.224 313 D HA 0.077 4.717 4.640 0.000 0.000 0.205 313 D C 1.891 178.116 176.300 -0.125 0.000 0.965 313 D CA 0.776 54.717 54.000 -0.099 0.000 0.852 313 D CB -0.165 40.574 40.800 -0.102 0.000 0.947 313 D HN 0.325 nan 8.370 nan 0.000 0.494 314 M N 0.379 119.929 119.600 -0.083 0.000 2.175 314 M HA -0.074 4.406 4.480 0.000 0.000 0.264 314 M C 1.834 178.094 176.300 -0.067 0.000 1.063 314 M CA 1.119 56.375 55.300 -0.074 0.000 1.119 314 M CB -0.674 31.911 32.600 -0.024 0.000 1.377 314 M HN 0.063 nan 8.290 nan 0.000 0.415 315 E N -0.113 120.055 120.200 -0.053 0.000 2.208 315 E HA -0.126 4.225 4.350 0.000 0.000 0.193 315 E C 2.095 178.661 176.600 -0.056 0.000 0.988 315 E CA 0.598 56.972 56.400 -0.044 0.000 0.828 315 E CB 0.120 29.800 29.700 -0.033 0.000 0.763 315 E HN 0.356 nan 8.360 nan 0.000 0.478 316 K N 0.730 121.084 120.400 -0.076 0.000 2.001 316 K HA -0.090 4.230 4.320 0.000 0.000 0.208 316 K C 2.255 178.793 176.600 -0.103 0.000 1.048 316 K CA 0.802 57.036 56.287 -0.088 0.000 0.932 316 K CB -0.373 32.063 32.500 -0.106 0.000 0.715 316 K HN 0.177 nan 8.250 nan 0.000 0.437 317 L N 0.772 121.909 121.223 -0.144 0.000 2.083 317 L HA -0.165 4.175 4.340 0.000 0.000 0.209 317 L C 2.571 179.388 176.870 -0.088 0.000 1.083 317 L CA 1.176 55.917 54.840 -0.165 0.000 0.752 317 L CB -0.545 41.339 42.059 -0.292 0.000 0.899 317 L HN 0.136 nan 8.230 nan 0.000 0.433 318 A N -0.093 122.689 122.820 -0.064 0.000 1.933 318 A HA -0.193 4.127 4.320 0.000 0.000 0.218 318 A C 2.285 179.857 177.584 -0.021 0.000 1.175 318 A CA 1.554 53.573 52.037 -0.029 0.000 0.628 318 A CB -0.250 18.738 19.000 -0.020 0.000 0.814 318 A HN 0.342 nan 8.150 nan 0.000 0.444 319 K N -0.755 119.627 120.400 -0.031 0.000 2.314 319 K HA 0.214 4.534 4.320 0.000 0.000 0.198 319 K C 2.084 178.668 176.600 -0.025 0.000 1.045 319 K CA 0.681 56.955 56.287 -0.023 0.000 0.988 319 K CB -0.026 32.456 32.500 -0.029 0.000 0.783 319 K HN 0.424 nan 8.250 nan 0.000 0.484 320 A N 1.252 124.050 122.820 -0.038 0.000 1.887 320 A HA -0.081 4.239 4.320 0.000 0.000 0.212 320 A C 2.235 179.810 177.584 -0.015 0.000 1.198 320 A CA 1.614 53.628 52.037 -0.039 0.000 0.628 320 A CB -0.591 18.374 19.000 -0.057 0.000 0.847 320 A HN 0.337 nan 8.150 nan 0.000 0.449 321 T N -4.367 110.181 114.554 -0.009 0.000 3.035 321 T HA 0.397 4.747 4.350 0.000 0.000 0.259 321 T C 1.264 175.982 174.700 0.029 0.000 1.078 321 T CA 1.163 63.272 62.100 0.015 0.000 1.132 321 T CB 0.027 68.907 68.868 0.020 0.000 0.900 321 T HN 1.768 nan 8.240 nan 0.000 0.480 322 G N 1.134 109.948 108.800 0.024 0.000 2.356 322 G HA2 0.250 4.211 3.960 0.000 0.000 0.233 322 G HA3 0.250 4.211 3.960 0.000 0.000 0.233 322 G C 0.015 174.931 174.900 0.027 0.000 1.105 322 G CA -0.207 44.913 45.100 0.032 0.000 0.861 322 G HN 1.018 nan 8.290 nan 0.000 0.493 323 A N -0.296 122.538 122.820 0.022 0.000 2.373 323 A HA 0.930 5.250 4.320 0.000 0.000 0.291 323 A C 0.021 177.617 177.584 0.020 0.000 1.171 323 A CA -0.800 51.252 52.037 0.026 0.000 0.922 323 A CB 1.057 20.079 19.000 0.035 0.000 1.400 323 A HN 0.367 nan 8.150 nan 0.000 0.474 324 N N -0.580 118.133 118.700 0.023 0.000 2.249 324 N HA 0.409 5.149 4.740 0.000 0.000 0.296 324 N C -1.424 174.099 175.510 0.022 0.000 1.051 324 N CA -0.362 52.699 53.050 0.018 0.000 0.815 324 N CB 2.006 40.503 38.487 0.017 0.000 1.487 324 N HN 0.265 nan 8.380 nan 0.000 0.475 325 V N 3.268 123.193 119.914 0.017 0.000 2.387 325 V HA 0.229 4.349 4.120 0.000 0.000 0.260 325 V C 0.354 176.460 176.094 0.020 0.000 1.054 325 V CA -0.268 62.044 62.300 0.020 0.000 0.967 325 V CB -0.274 31.557 31.823 0.013 0.000 1.036 325 V HN 0.432 nan 8.190 nan 0.000 0.481 326 I N 4.834 125.418 120.570 0.024 0.000 2.336 326 I HA 0.277 4.447 4.170 0.000 0.000 0.292 326 I C 1.203 177.333 176.117 0.021 0.000 0.991 326 I CA 0.030 61.342 61.300 0.021 0.000 1.227 326 I CB 1.373 39.387 38.000 0.022 0.000 1.366 326 I HN 0.528 nan 8.210 nan 0.000 0.466 327 T N 3.363 117.927 114.554 0.018 0.000 3.086 327 T HA 0.051 4.401 4.350 0.000 0.000 0.250 327 T C 0.677 175.387 174.700 0.016 0.000 1.074 327 T CA 0.182 62.292 62.100 0.017 0.000 0.988 327 T CB -0.365 68.512 68.868 0.014 0.000 0.988 327 T HN 0.454 nan 8.240 nan 0.000 0.530 328 N N 0.725 119.435 118.700 0.015 0.000 2.504 328 N HA 0.361 5.101 4.740 0.000 0.000 0.280 328 N C 0.277 175.796 175.510 0.014 0.000 1.052 328 N CA -0.539 52.519 53.050 0.014 0.000 0.887 328 N CB 1.010 39.503 38.487 0.011 0.000 1.323 328 N HN 0.023 nan 8.380 nan 0.000 0.509 329 I N 2.531 123.110 120.570 0.014 0.000 2.756 329 I HA -0.096 4.075 4.170 0.000 0.000 0.262 329 I C 1.338 177.461 176.117 0.010 0.000 1.225 329 I CA 0.885 62.193 61.300 0.014 0.000 1.472 329 I CB 0.276 38.285 38.000 0.015 0.000 1.094 329 I HN 0.427 nan 8.210 nan 0.000 0.454 330 K N -0.150 120.255 120.400 0.008 0.000 2.228 330 K HA -0.105 4.215 4.320 0.000 0.000 0.202 330 K C 1.073 177.677 176.600 0.005 0.000 1.051 330 K CA 0.832 57.122 56.287 0.005 0.000 0.960 330 K CB -0.197 32.306 32.500 0.005 0.000 0.743 330 K HN 0.371 nan 8.250 nan 0.000 0.458 331 D N 0.864 121.268 120.400 0.007 0.000 2.388 331 D HA -0.001 4.639 4.640 0.000 0.000 0.221 331 D C -0.488 175.818 176.300 0.009 0.000 1.133 331 D CA -0.210 53.794 54.000 0.007 0.000 0.831 331 D CB 0.250 41.054 40.800 0.008 0.000 0.962 331 D HN -0.056 nan 8.370 nan 0.000 0.502 332 L N 1.645 122.873 121.223 0.010 0.000 2.536 332 L HA 0.089 4.429 4.340 0.000 0.000 0.282 332 L C 0.206 177.082 176.870 0.010 0.000 1.147 332 L CA 0.255 55.102 54.840 0.012 0.000 0.936 332 L CB 0.470 42.537 42.059 0.013 0.000 1.279 332 L HN -0.239 nan 8.230 nan 0.000 0.461 333 S N 3.103 118.809 115.700 0.010 0.000 2.632 333 S HA 0.548 5.018 4.470 0.000 0.000 0.267 333 S C 1.393 176.000 174.600 0.010 0.000 1.276 333 S CA -0.063 58.142 58.200 0.009 0.000 0.998 333 S CB 1.420 64.625 63.200 0.008 0.000 0.953 333 S HN 0.803 nan 8.310 nan 0.000 0.547 334 A N 1.832 124.658 122.820 0.009 0.000 2.119 334 A HA 0.050 4.371 4.320 0.000 0.000 0.217 334 A C 1.720 179.311 177.584 0.012 0.000 1.153 334 A CA 0.927 52.970 52.037 0.010 0.000 0.692 334 A CB -0.432 18.572 19.000 0.007 0.000 0.799 334 A HN 0.800 nan 8.150 nan 0.000 0.458 335 Q N 0.028 119.834 119.800 0.011 0.000 2.360 335 Q HA 0.050 4.390 4.340 0.000 0.000 0.202 335 Q C 0.082 176.091 176.000 0.014 0.000 0.915 335 Q CA 0.559 56.368 55.803 0.011 0.000 0.943 335 Q CB 0.317 29.060 28.738 0.008 0.000 1.064 335 Q HN 0.478 nan 8.270 nan 0.000 0.511 336 D N -0.253 120.156 120.400 0.016 0.000 2.325 336 D HA 0.087 4.727 4.640 0.000 0.000 0.225 336 D C -0.298 176.018 176.300 0.026 0.000 1.096 336 D CA 0.198 54.210 54.000 0.020 0.000 0.844 336 D CB 0.302 41.114 40.800 0.019 0.000 0.925 336 D HN 0.234 nan 8.370 nan 0.000 0.513 337 L N 0.276 121.515 121.223 0.027 0.000 2.325 337 L HA 0.524 4.864 4.340 0.000 0.000 0.279 337 L C 1.245 178.137 176.870 0.036 0.000 1.054 337 L CA -0.909 53.952 54.840 0.035 0.000 0.804 337 L CB 1.608 43.686 42.059 0.032 0.000 1.200 337 L HN -0.129 nan 8.230 nan 0.000 0.436 338 G N 0.335 109.163 108.800 0.046 0.000 2.547 338 G HA2 0.395 4.355 3.960 0.000 0.000 0.291 338 G HA3 0.395 4.355 3.960 0.000 0.000 0.291 338 G C -1.539 173.389 174.900 0.047 0.000 1.211 338 G CA -0.121 45.005 45.100 0.044 0.000 0.950 338 G HN 0.624 nan 8.290 nan 0.000 0.504 339 D N -1.079 119.348 120.400 0.045 0.000 2.686 339 D HA 0.586 5.226 4.640 0.000 0.000 0.249 339 D C -0.427 175.901 176.300 0.047 0.000 1.260 339 D CA -0.104 53.923 54.000 0.045 0.000 0.910 339 D CB 1.598 42.420 40.800 0.037 0.000 1.323 339 D HN 0.573 nan 8.370 nan 0.000 0.561 340 A N 1.927 124.779 122.820 0.052 0.000 2.414 340 A HA 0.649 4.969 4.320 0.000 0.000 0.306 340 A C 1.067 178.682 177.584 0.051 0.000 1.054 340 A CA -0.347 51.722 52.037 0.053 0.000 0.724 340 A CB 1.682 20.721 19.000 0.065 0.000 1.267 340 A HN 0.583 nan 8.150 nan 0.000 0.418 341 G N 0.148 108.976 108.800 0.047 0.000 2.484 341 G HA2 0.338 4.298 3.960 0.000 0.000 0.218 341 G HA3 0.338 4.298 3.960 0.000 0.000 0.218 341 G C 0.253 175.179 174.900 0.043 0.000 1.130 341 G CA 0.777 45.901 45.100 0.040 0.000 0.784 341 G HN 0.663 nan 8.290 nan 0.000 0.543 342 L N 0.323 121.580 121.223 0.057 0.000 2.543 342 L HA 0.489 4.829 4.340 0.000 0.000 0.265 342 L C -1.637 175.287 176.870 0.091 0.000 0.945 342 L CA -0.695 54.182 54.840 0.061 0.000 0.869 342 L CB 2.711 44.802 42.059 0.053 0.000 1.294 342 L HN -0.172 nan 8.230 nan 0.000 0.405 343 V N 3.569 123.538 119.914 0.091 0.000 2.443 343 V HA 0.555 4.675 4.120 0.000 0.000 0.293 343 V C -0.626 175.529 176.094 0.102 0.000 1.021 343 V CA -0.480 61.897 62.300 0.128 0.000 0.848 343 V CB 1.750 33.655 31.823 0.135 0.000 0.998 343 V HN 0.745 nan 8.190 nan 0.000 0.424 344 E N 3.091 123.369 120.200 0.130 0.000 2.331 344 E HA 0.420 4.770 4.350 0.000 0.000 0.275 344 E C -1.176 175.492 176.600 0.113 0.000 0.895 344 E CA -0.670 55.776 56.400 0.076 0.000 0.753 344 E CB 2.399 32.105 29.700 0.010 0.000 1.216 344 E HN 0.760 nan 8.360 nan 0.000 0.434 345 E N 4.527 124.768 120.200 0.068 0.000 2.046 345 E HA 0.242 4.592 4.350 0.000 0.000 0.279 345 E C -0.743 175.875 176.600 0.030 0.000 0.989 345 E CA -0.348 56.106 56.400 0.090 0.000 0.798 345 E CB 0.649 30.388 29.700 0.066 0.000 1.086 345 E HN 0.346 nan 8.360 nan 0.000 0.399 346 R N 3.105 123.617 120.500 0.021 0.000 2.674 346 R HA 0.391 4.731 4.340 0.000 0.000 0.266 346 R C -0.217 176.094 176.300 0.019 0.000 1.016 346 R CA -0.811 55.231 56.100 -0.097 0.000 1.062 346 R CB 1.240 31.266 30.300 -0.457 0.000 1.142 346 R HN 0.291 nan 8.270 nan 0.000 0.517 347 K N 1.859 122.253 120.400 -0.010 0.000 2.423 347 K HA 0.249 4.569 4.320 0.000 0.000 0.234 347 K C -0.924 175.696 176.600 0.034 0.000 1.051 347 K CA -0.429 55.876 56.287 0.030 0.000 1.021 347 K CB 0.636 33.144 32.500 0.014 0.000 1.474 347 K HN 0.256 nan 8.250 nan 0.000 0.474 348 I N 1.616 122.245 120.570 0.098 0.000 2.315 348 I HA 0.008 4.178 4.170 0.000 0.000 0.291 348 I C 0.448 176.618 176.117 0.088 0.000 1.006 348 I CA 0.674 62.039 61.300 0.109 0.000 1.265 348 I CB 1.316 39.461 38.000 0.242 0.000 1.387 348 I HN 0.637 nan 8.210 nan 0.000 0.475 349 S N 5.092 120.825 115.700 0.055 0.000 3.711 349 S HA -0.151 4.319 4.470 0.000 0.000 0.374 349 S C 1.115 175.734 174.600 0.032 0.000 0.969 349 S CA 1.404 59.627 58.200 0.038 0.000 1.198 349 S CB -1.566 61.657 63.200 0.038 0.000 0.903 349 S HN 2.075 nan 8.310 nan 0.000 0.493 350 G N 0.776 109.593 108.800 0.028 0.000 3.444 350 G HA2 -0.303 3.657 3.960 0.000 0.000 0.222 350 G HA3 -0.303 3.657 3.960 0.000 0.000 0.222 350 G C -0.205 174.713 174.900 0.030 0.000 1.358 350 G CA 0.383 45.498 45.100 0.024 0.000 0.880 350 G HN 0.765 nan 8.290 nan 0.000 0.555 351 D N 1.822 122.244 120.400 0.037 0.000 2.372 351 D HA 0.494 5.134 4.640 0.000 0.000 0.243 351 D C 0.741 177.080 176.300 0.065 0.000 1.121 351 D CA 0.845 54.871 54.000 0.043 0.000 0.898 351 D CB 1.405 42.227 40.800 0.038 0.000 1.202 351 D HN 0.692 nan 8.370 nan 0.000 0.428 352 S N 1.305 117.043 115.700 0.063 0.000 2.442 352 S HA 0.695 5.165 4.470 0.000 0.000 0.297 352 S C -0.072 174.592 174.600 0.106 0.000 1.131 352 S CA -0.840 57.410 58.200 0.084 0.000 1.092 352 S CB 1.272 64.507 63.200 0.059 0.000 0.998 352 S HN 0.378 nan 8.310 nan 0.000 0.478 353 M N 2.355 122.058 119.600 0.172 0.000 2.691 353 M HA 0.520 5.000 4.480 0.000 0.000 0.293 353 M C -1.102 175.354 176.300 0.260 0.000 1.259 353 M CA -0.738 54.664 55.300 0.170 0.000 0.827 353 M CB 2.185 34.846 32.600 0.102 0.000 1.753 353 M HN 0.576 nan 8.290 nan 0.000 0.465 354 I N 1.838 122.531 120.570 0.205 0.000 2.297 354 I HA 0.239 4.409 4.170 0.000 0.000 0.291 354 I C -1.211 175.056 176.117 0.250 0.000 1.033 354 I CA -0.266 61.192 61.300 0.264 0.000 1.253 354 I CB 0.375 38.550 38.000 0.291 0.000 1.396 354 I HN 0.386 nan 8.210 nan 0.000 0.476 355 F N 6.333 126.326 119.950 0.072 0.000 2.375 355 F HA 0.223 4.750 4.527 0.000 0.000 0.362 355 F C 0.358 176.197 175.800 0.064 0.000 1.129 355 F CA -0.472 57.558 58.000 0.050 0.000 1.154 355 F CB 0.957 39.976 39.000 0.033 0.000 1.205 355 F HN 0.072 nan 8.300 nan 0.000 0.513 356 V N 5.204 125.205 119.914 0.144 0.000 2.270 356 V HA 0.242 4.362 4.120 0.000 0.000 0.263 356 V C -0.011 176.129 176.094 0.077 0.000 1.066 356 V CA -0.415 61.955 62.300 0.116 0.000 0.857 356 V CB -0.229 31.625 31.823 0.051 0.000 1.099 356 V HN 0.777 nan 8.190 nan 0.000 0.476 357 E N 2.454 122.719 120.200 0.109 0.000 2.428 357 E HA 0.626 4.976 4.350 0.000 0.000 0.259 357 E C -0.564 176.075 176.600 0.065 0.000 0.930 357 E CA -1.052 55.400 56.400 0.087 0.000 0.823 357 E CB 1.297 31.077 29.700 0.134 0.000 1.403 357 E HN 0.317 nan 8.360 nan 0.000 0.415 358 E N -0.696 119.535 120.200 0.052 0.000 2.320 358 E HA -0.184 4.166 4.350 0.000 0.000 0.234 358 E C -0.806 175.815 176.600 0.036 0.000 1.183 358 E CA 0.239 56.663 56.400 0.040 0.000 0.713 358 E CB -1.918 27.807 29.700 0.041 0.000 1.226 358 E HN 0.443 nan 8.360 nan 0.000 0.382 359 C N 0.603 119.921 119.300 0.029 0.000 2.520 359 C HA 0.194 4.654 4.460 0.000 0.000 0.376 359 C C 1.984 176.995 174.990 0.035 0.000 1.268 359 C CA -0.843 58.193 59.018 0.030 0.000 2.414 359 C CB 1.113 28.865 27.740 0.019 0.000 2.521 359 C HN 0.376 nan 8.230 nan 0.000 0.618 360 K N 0.581 121.013 120.400 0.052 0.000 1.995 360 K HA -0.025 4.295 4.320 0.000 0.000 0.207 360 K C 0.526 177.196 176.600 0.118 0.000 1.041 360 K CA 1.522 57.853 56.287 0.075 0.000 0.942 360 K CB -0.337 32.207 32.500 0.074 0.000 0.731 360 K HN 0.739 nan 8.250 nan 0.000 0.439 361 H N 1.321 120.394 119.070 0.004 0.000 2.541 361 H HA 0.274 4.830 4.556 0.000 0.000 0.246 361 H C -2.647 172.680 175.328 -0.001 0.000 1.341 361 H CA -2.178 53.871 56.048 0.002 0.000 1.469 361 H CB 0.492 30.255 29.762 0.002 0.000 1.472 361 H HN -0.056 nan 8.280 nan 0.000 0.503 362 P HA 0.204 nan 4.420 nan 0.000 0.285 362 P C 0.255 177.453 177.300 -0.171 0.000 1.259 362 P CA -0.644 62.385 63.100 -0.118 0.000 0.794 362 P CB 1.422 33.070 31.700 -0.087 0.000 0.940 363 K N 0.635 120.975 120.400 -0.100 0.000 2.358 363 K HA 0.392 4.712 4.320 0.000 0.000 0.200 363 K C 0.392 176.954 176.600 -0.064 0.000 1.030 363 K CA 0.044 56.280 56.287 -0.084 0.000 1.097 363 K CB 0.731 33.205 32.500 -0.044 0.000 0.862 363 K HN 0.514 nan 8.250 nan 0.000 0.534 364 A N 0.669 123.451 122.820 -0.063 0.000 2.401 364 A HA 0.715 5.035 4.320 0.000 0.000 0.310 364 A C -0.984 176.563 177.584 -0.061 0.000 1.075 364 A CA -0.563 51.439 52.037 -0.058 0.000 0.746 364 A CB 1.851 20.816 19.000 -0.058 0.000 1.277 364 A HN -0.091 nan 8.150 nan 0.000 0.425 365 V N 0.921 120.801 119.914 -0.057 0.000 2.888 365 V HA 0.579 4.699 4.120 0.000 0.000 0.309 365 V C -0.378 175.684 176.094 -0.054 0.000 1.114 365 V CA -0.414 61.854 62.300 -0.053 0.000 0.940 365 V CB 2.701 34.496 31.823 -0.047 0.000 1.021 365 V HN 0.994 nan 8.190 nan 0.000 0.426 366 T N 5.791 120.312 114.554 -0.055 0.000 2.794 366 T HA 0.513 4.863 4.350 0.000 0.000 0.280 366 T C -0.325 174.348 174.700 -0.045 0.000 0.987 366 T CA -0.458 61.604 62.100 -0.062 0.000 0.993 366 T CB 0.997 69.809 68.868 -0.093 0.000 0.939 366 T HN 0.332 nan 8.240 nan 0.000 0.449 367 M N 3.811 123.387 119.600 -0.040 0.000 2.055 367 M HA 0.323 4.803 4.480 0.000 0.000 0.347 367 M C -0.694 175.590 176.300 -0.027 0.000 1.123 367 M CA -1.049 54.235 55.300 -0.026 0.000 1.035 367 M CB 0.678 33.265 32.600 -0.021 0.000 1.484 367 M HN 0.440 nan 8.290 nan 0.000 0.428 368 L N 6.477 127.689 121.223 -0.017 0.000 2.334 368 L HA 0.408 4.748 4.340 0.000 0.000 0.286 368 L C -0.609 176.263 176.870 0.002 0.000 1.108 368 L CA 0.296 55.130 54.840 -0.010 0.000 0.875 368 L CB -0.191 41.875 42.059 0.012 0.000 1.246 368 L HN 0.520 nan 8.230 nan 0.000 0.439 369 I N 5.746 126.313 120.570 -0.004 0.000 2.337 369 I HA 0.313 4.483 4.170 0.000 0.000 0.291 369 I C 0.265 176.385 176.117 0.005 0.000 1.046 369 I CA -0.151 61.149 61.300 0.000 0.000 1.324 369 I CB 0.211 38.209 38.000 -0.004 0.000 1.409 369 I HN 0.551 nan 8.210 nan 0.000 0.494 370 R N 4.538 125.045 120.500 0.011 0.000 2.803 370 R HA 0.890 5.230 4.340 0.000 0.000 0.276 370 R C -0.253 176.054 176.300 0.012 0.000 0.978 370 R CA -1.009 55.099 56.100 0.014 0.000 0.939 370 R CB 2.353 32.667 30.300 0.023 0.000 1.179 370 R HN 0.772 nan 8.270 nan 0.000 0.472 371 G N -0.767 108.040 108.800 0.011 0.000 2.506 371 G HA2 0.187 4.147 3.960 0.000 0.000 0.292 371 G HA3 0.187 4.147 3.960 0.000 0.000 0.292 371 G C 0.359 175.266 174.900 0.012 0.000 1.425 371 G CA -0.302 44.806 45.100 0.012 0.000 0.788 371 G HN 0.495 nan 8.290 nan 0.000 0.490 372 T N -2.572 111.990 114.554 0.014 0.000 2.896 372 T HA 0.196 4.546 4.350 0.000 0.000 0.263 372 T C 1.346 176.055 174.700 0.015 0.000 1.050 372 T CA 1.994 64.103 62.100 0.015 0.000 1.140 372 T CB -0.361 68.517 68.868 0.016 0.000 0.877 372 T HN 1.372 nan 8.240 nan 0.000 0.457 373 T N -1.347 113.219 114.554 0.020 0.000 2.924 373 T HA 0.572 4.922 4.350 0.000 0.000 0.291 373 T C 0.584 175.285 174.700 0.002 0.000 1.045 373 T CA -0.691 61.422 62.100 0.022 0.000 1.015 373 T CB 2.479 71.378 68.868 0.053 0.000 1.103 373 T HN -0.037 nan 8.240 nan 0.000 0.496 374 E N 0.094 120.267 120.200 -0.044 0.000 2.153 374 E HA -0.110 4.240 4.350 0.000 0.000 0.194 374 E C 1.486 177.996 176.600 -0.150 0.000 0.988 374 E CA 1.613 57.940 56.400 -0.122 0.000 0.811 374 E CB -0.411 29.173 29.700 -0.193 0.000 0.746 374 E HN 0.869 nan 8.360 nan 0.000 0.466 375 H N -1.662 117.411 119.070 0.005 0.000 2.470 375 H HA 0.047 4.603 4.556 0.000 0.000 0.289 375 H C 1.840 177.171 175.328 0.004 0.000 1.033 375 H CA 0.967 57.017 56.048 0.004 0.000 1.331 375 H CB 0.417 30.181 29.762 0.004 0.000 1.414 375 H HN 0.016 nan 8.280 nan 0.000 0.545 376 V N 0.407 120.383 119.914 0.103 0.000 2.379 376 V HA -0.189 3.931 4.120 0.000 0.000 0.245 376 V C 2.201 178.318 176.094 0.037 0.000 1.044 376 V CA 1.464 63.800 62.300 0.061 0.000 1.036 376 V CB -0.298 31.552 31.823 0.044 0.000 0.664 376 V HN 0.396 nan 8.190 nan 0.000 0.453 377 I N -0.021 120.561 120.570 0.019 0.000 2.163 377 I HA -0.283 3.887 4.170 0.000 0.000 0.243 377 I C 2.600 178.721 176.117 0.005 0.000 1.085 377 I CA 1.934 63.237 61.300 0.005 0.000 1.347 377 I CB -0.318 37.675 38.000 -0.011 0.000 1.044 377 I HN 0.387 nan 8.210 nan 0.000 0.408 378 E N 0.468 120.671 120.200 0.005 0.000 2.204 378 E HA -0.283 4.067 4.350 0.000 0.000 0.194 378 E C 1.945 178.560 176.600 0.025 0.000 0.989 378 E CA 1.162 57.567 56.400 0.008 0.000 0.824 378 E CB 0.173 29.877 29.700 0.006 0.000 0.756 378 E HN 0.350 nan 8.360 nan 0.000 0.477 379 E N -0.299 119.923 120.200 0.037 0.000 2.122 379 E HA -0.081 4.270 4.350 0.000 0.000 0.190 379 E C 1.868 178.482 176.600 0.022 0.000 0.977 379 E CA 0.691 57.111 56.400 0.033 0.000 0.820 379 E CB 0.060 29.784 29.700 0.040 0.000 0.770 379 E HN 0.061 nan 8.360 nan 0.000 0.462 380 V N 0.942 120.868 119.914 0.019 0.000 2.515 380 V HA -0.198 3.922 4.120 0.000 0.000 0.250 380 V C 2.318 178.418 176.094 0.009 0.000 1.058 380 V CA 1.592 63.900 62.300 0.014 0.000 1.064 380 V CB -0.793 31.037 31.823 0.012 0.000 0.675 380 V HN 0.443 nan 8.190 nan 0.000 0.461 381 A N -0.034 122.790 122.820 0.007 0.000 1.902 381 A HA -0.206 4.114 4.320 0.000 0.000 0.217 381 A C 2.384 179.970 177.584 0.003 0.000 1.181 381 A CA 1.608 53.646 52.037 0.002 0.000 0.623 381 A CB -0.457 18.542 19.000 -0.002 0.000 0.818 381 A HN 0.482 nan 8.150 nan 0.000 0.443 382 R N -0.749 119.756 120.500 0.008 0.000 2.189 382 R HA 0.013 4.353 4.340 0.000 0.000 0.218 382 R C 2.243 178.548 176.300 0.008 0.000 1.074 382 R CA 0.891 56.996 56.100 0.008 0.000 0.991 382 R CB -0.280 30.027 30.300 0.012 0.000 0.883 382 R HN 0.519 nan 8.270 nan 0.000 0.457 383 A N 0.236 123.062 122.820 0.009 0.000 2.016 383 A HA -0.024 4.296 4.320 0.000 0.000 0.217 383 A C 2.084 179.672 177.584 0.007 0.000 1.162 383 A CA 0.762 52.805 52.037 0.010 0.000 0.662 383 A CB 0.098 19.105 19.000 0.013 0.000 0.812 383 A HN 0.094 nan 8.150 nan 0.000 0.450 384 V N -0.049 119.867 119.914 0.004 0.000 2.725 384 V HA -0.114 4.006 4.120 0.000 0.000 0.247 384 V C 1.859 177.952 176.094 -0.002 0.000 1.058 384 V CA 1.629 63.930 62.300 0.000 0.000 1.080 384 V CB -0.436 31.386 31.823 -0.002 0.000 0.713 384 V HN 0.457 nan 8.190 nan 0.000 0.465 385 D N 0.392 120.791 120.400 -0.001 0.000 2.178 385 D HA -0.149 4.491 4.640 0.000 0.000 0.202 385 D C 1.681 177.981 176.300 -0.001 0.000 0.974 385 D CA 1.339 55.337 54.000 -0.003 0.000 0.841 385 D CB 0.039 40.837 40.800 -0.002 0.000 0.953 385 D HN 0.437 nan 8.370 nan 0.000 0.478 386 D N 0.286 120.687 120.400 0.001 0.000 2.137 386 D HA -0.011 4.629 4.640 0.000 0.000 0.202 386 D C 2.025 178.327 176.300 0.003 0.000 0.970 386 D CA 1.038 55.039 54.000 0.003 0.000 0.837 386 D CB -0.243 40.560 40.800 0.005 0.000 0.981 386 D HN 0.075 nan 8.370 nan 0.000 0.475 387 A N 0.360 123.182 122.820 0.003 0.000 1.933 387 A HA -0.114 4.206 4.320 0.000 0.000 0.218 387 A C 2.341 179.924 177.584 -0.001 0.000 1.175 387 A CA 1.015 53.053 52.037 0.002 0.000 0.628 387 A CB -0.649 18.353 19.000 0.003 0.000 0.814 387 A HN 0.147 nan 8.150 nan 0.000 0.444 388 V N -0.239 119.673 119.914 -0.003 0.000 2.453 388 V HA -0.126 3.994 4.120 0.000 0.000 0.247 388 V C 2.768 178.859 176.094 -0.005 0.000 1.048 388 V CA 1.695 63.992 62.300 -0.005 0.000 1.049 388 V CB -1.224 30.594 31.823 -0.008 0.000 0.672 388 V HN 0.606 nan 8.190 nan 0.000 0.457 389 G N 0.716 109.515 108.800 -0.003 0.000 2.421 389 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 389 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 389 G C 1.703 176.603 174.900 -0.001 0.000 1.171 389 G CA 1.608 46.706 45.100 -0.002 0.000 0.775 389 G HN 0.565 nan 8.290 nan 0.000 0.543 390 V N -1.358 118.557 119.914 0.000 0.000 2.591 390 V HA -0.012 4.108 4.120 0.000 0.000 0.249 390 V C 2.656 178.751 176.094 0.001 0.000 1.053 390 V CA 1.311 63.612 62.300 0.001 0.000 1.068 390 V CB -0.487 31.338 31.823 0.004 0.000 0.689 390 V HN 0.135 nan 8.190 nan 0.000 0.462 391 V N 1.960 121.874 119.914 -0.000 0.000 2.453 391 V HA -0.002 4.118 4.120 0.000 0.000 0.247 391 V C 2.875 178.968 176.094 -0.003 0.000 1.048 391 V CA 2.058 64.358 62.300 -0.001 0.000 1.049 391 V CB -1.247 30.574 31.823 -0.003 0.000 0.672 391 V HN 0.615 nan 8.190 nan 0.000 0.457 392 G N -1.311 107.487 108.800 -0.004 0.000 2.422 392 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 392 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 392 G C 1.652 176.551 174.900 -0.003 0.000 1.140 392 G CA 1.241 46.338 45.100 -0.005 0.000 0.775 392 G HN 0.540 nan 8.290 nan 0.000 0.545 393 C N 0.605 119.904 119.300 -0.002 0.000 2.446 393 C HA 0.065 4.525 4.460 0.000 0.000 0.279 393 C C 3.106 178.096 174.990 0.000 0.000 1.366 393 C CA 1.425 60.443 59.018 -0.001 0.000 1.763 393 C CB -0.735 27.005 27.740 0.000 0.000 1.929 393 C HN 0.433 nan 8.230 nan 0.000 0.509 394 T N 0.869 115.424 114.554 0.000 0.000 2.937 394 T HA 0.086 4.436 4.350 0.000 0.000 0.260 394 T C 1.651 176.351 174.700 0.000 0.000 1.051 394 T CA 0.788 62.888 62.100 0.001 0.000 1.141 394 T CB -0.116 68.752 68.868 0.001 0.000 0.879 394 T HN 0.436 nan 8.240 nan 0.000 0.459 395 I N 1.285 121.854 120.570 -0.001 0.000 2.226 395 I HA -0.169 4.001 4.170 0.000 0.000 0.245 395 I C 2.602 178.718 176.117 -0.000 0.000 1.100 395 I CA 1.445 62.744 61.300 -0.001 0.000 1.374 395 I CB -0.297 37.702 38.000 -0.002 0.000 1.057 395 I HN 0.319 nan 8.210 nan 0.000 0.413 396 E N 0.568 120.768 120.200 -0.001 0.000 2.028 396 E HA -0.182 4.168 4.350 0.000 0.000 0.190 396 E C 1.717 178.317 176.600 -0.000 0.000 0.984 396 E CA 1.252 57.651 56.400 -0.001 0.000 0.800 396 E CB -0.039 29.661 29.700 -0.001 0.000 0.758 396 E HN 0.448 nan 8.360 nan 0.000 0.448 397 D N -0.709 119.690 120.400 -0.000 0.000 2.120 397 D HA -0.036 4.604 4.640 0.000 0.000 0.202 397 D C 1.404 177.704 176.300 0.000 0.000 0.972 397 D CA 1.389 55.389 54.000 -0.000 0.000 0.837 397 D CB -0.168 40.633 40.800 0.000 0.000 0.989 397 D HN 0.346 nan 8.370 nan 0.000 0.469 398 G N 0.714 109.514 108.800 0.000 0.000 2.143 398 G HA2 -0.317 3.643 3.960 0.000 0.000 0.248 398 G HA3 -0.317 3.643 3.960 0.000 0.000 0.248 398 G C 0.249 175.150 174.900 0.001 0.000 0.991 398 G CA 0.151 45.251 45.100 0.001 0.000 0.689 398 G HN 0.318 nan 8.290 nan 0.000 0.522 399 R N -0.166 120.334 120.500 0.001 0.000 2.575 399 R HA 0.710 5.051 4.340 0.000 0.000 0.293 399 R C 0.289 176.590 176.300 0.002 0.000 0.983 399 R CA -0.652 55.448 56.100 0.001 0.000 0.887 399 R CB 1.657 31.957 30.300 0.000 0.000 1.184 399 R HN 0.528 nan 8.270 nan 0.000 0.445 400 I N -0.363 120.209 120.570 0.003 0.000 2.892 400 I HA 0.793 4.963 4.170 0.000 0.000 0.306 400 I C -0.443 175.678 176.117 0.007 0.000 1.078 400 I CA -1.171 60.132 61.300 0.005 0.000 1.032 400 I CB 2.175 40.178 38.000 0.006 0.000 1.229 400 I HN 0.381 nan 8.210 nan 0.000 0.435 401 V N 0.521 120.441 119.914 0.009 0.000 3.126 401 V HA 0.735 4.855 4.120 0.000 0.000 0.314 401 V C 0.172 176.276 176.094 0.017 0.000 1.138 401 V CA -0.526 61.782 62.300 0.013 0.000 1.034 401 V CB 1.228 33.060 31.823 0.014 0.000 1.075 401 V HN 0.996 nan 8.190 nan 0.000 0.442 402 S N 0.772 116.485 115.700 0.022 0.000 2.584 402 S HA 0.789 5.259 4.470 0.000 0.000 0.273 402 S C 0.344 174.962 174.600 0.029 0.000 1.311 402 S CA 0.089 58.305 58.200 0.026 0.000 1.034 402 S CB 1.047 64.267 63.200 0.032 0.000 0.939 402 S HN 1.695 nan 8.310 nan 0.000 0.513 403 G N -0.188 108.629 108.800 0.028 0.000 2.702 403 G HA2 0.566 4.526 3.960 0.000 0.000 0.254 403 G HA3 0.566 4.526 3.960 0.000 0.000 0.254 403 G C 0.799 175.713 174.900 0.024 0.000 1.380 403 G CA -0.648 44.466 45.100 0.024 0.000 1.042 403 G HN 2.020 nan 8.290 nan 0.000 0.557 404 G N -1.969 106.839 108.800 0.013 0.000 2.221 404 G HA2 0.258 4.219 3.960 0.000 0.000 0.265 404 G HA3 0.258 4.219 3.960 0.000 0.000 0.265 404 G C 1.403 176.300 174.900 -0.004 0.000 1.041 404 G CA 1.079 46.180 45.100 0.003 0.000 0.807 404 G HN 2.485 nan 8.290 nan 0.000 0.502 405 G N -1.478 107.317 108.800 -0.008 0.000 2.153 405 G HA2 -0.127 3.834 3.960 0.000 0.000 0.252 405 G HA3 -0.127 3.834 3.960 0.000 0.000 0.252 405 G C 1.375 176.265 174.900 -0.016 0.000 0.994 405 G CA 1.663 46.750 45.100 -0.021 0.000 0.698 405 G HN 1.839 nan 8.290 nan 0.000 0.521 406 S N -0.319 115.395 115.700 0.023 0.000 2.345 406 S HA -0.075 4.395 4.470 0.000 0.000 0.219 406 S C 2.689 177.343 174.600 0.090 0.000 1.031 406 S CA 2.421 60.669 58.200 0.081 0.000 0.984 406 S CB -0.383 62.883 63.200 0.110 0.000 0.874 406 S HN 1.268 nan 8.310 nan 0.000 0.451 407 T N -1.058 113.533 114.554 0.062 0.000 3.113 407 T HA 0.138 4.488 4.350 0.000 0.000 0.263 407 T C 1.240 175.951 174.700 0.017 0.000 1.143 407 T CA 0.929 63.062 62.100 0.055 0.000 1.090 407 T CB -0.247 68.644 68.868 0.038 0.000 0.922 407 T HN 0.328 nan 8.240 nan 0.000 0.521 408 E N 0.746 120.937 120.200 -0.016 0.000 2.086 408 E HA 0.108 4.458 4.350 0.000 0.000 0.190 408 E C 2.267 178.824 176.600 -0.072 0.000 0.975 408 E CA 0.376 56.753 56.400 -0.039 0.000 0.813 408 E CB -0.291 29.379 29.700 -0.050 0.000 0.768 408 E HN 0.311 nan 8.360 nan 0.000 0.457 409 V N 1.045 120.874 119.914 -0.142 0.000 2.307 409 V HA -0.249 3.871 4.120 0.000 0.000 0.245 409 V C 2.317 178.266 176.094 -0.243 0.000 1.045 409 V CA 2.055 64.194 62.300 -0.267 0.000 1.024 409 V CB -0.393 31.122 31.823 -0.514 0.000 0.651 409 V HN 0.234 nan 8.190 nan 0.000 0.449 410 E N 0.343 120.450 120.200 -0.155 0.000 2.058 410 E HA -0.251 4.099 4.350 0.000 0.000 0.194 410 E C 1.954 178.587 176.600 0.054 0.000 0.997 410 E CA 1.559 58.025 56.400 0.110 0.000 0.801 410 E CB -0.447 29.412 29.700 0.264 0.000 0.746 410 E HN 0.396 nan 8.360 nan 0.000 0.450 411 L N 0.083 121.323 121.223 0.028 0.000 2.141 411 L HA -0.055 4.285 4.340 0.000 0.000 0.209 411 L C 2.368 179.256 176.870 0.030 0.000 1.094 411 L CA 1.864 56.720 54.840 0.027 0.000 0.763 411 L CB -0.842 41.233 42.059 0.025 0.000 0.908 411 L HN 0.193 nan 8.230 nan 0.000 0.437 412 S N -0.463 115.242 115.700 0.007 0.000 2.355 412 S HA -0.231 4.239 4.470 0.000 0.000 0.222 412 S C 2.111 176.728 174.600 0.028 0.000 1.031 412 S CA 1.643 59.852 58.200 0.014 0.000 0.993 412 S CB -0.292 62.892 63.200 -0.027 0.000 0.859 412 S HN 0.624 nan 8.310 nan 0.000 0.453 413 M N -0.347 119.262 119.600 0.015 0.000 2.319 413 M HA 0.132 4.612 4.480 0.000 0.000 0.265 413 M C 1.680 178.013 176.300 0.055 0.000 1.068 413 M CA 1.315 56.634 55.300 0.033 0.000 1.118 413 M CB -0.197 32.422 32.600 0.032 0.000 1.395 413 M HN -0.014 nan 8.290 nan 0.000 0.435 414 K N 1.181 121.615 120.400 0.057 0.000 2.228 414 K HA 0.138 4.458 4.320 0.000 0.000 0.202 414 K C 1.974 178.626 176.600 0.088 0.000 1.051 414 K CA 0.971 57.295 56.287 0.062 0.000 0.960 414 K CB -0.238 32.285 32.500 0.039 0.000 0.743 414 K HN 0.487 nan 8.250 nan 0.000 0.458 415 L N 0.229 121.505 121.223 0.089 0.000 2.217 415 L HA -0.048 4.292 4.340 0.000 0.000 0.211 415 L C 2.453 179.433 176.870 0.183 0.000 1.107 415 L CA 0.733 55.661 54.840 0.147 0.000 0.783 415 L CB -0.137 41.999 42.059 0.129 0.000 0.919 415 L HN 0.091 nan 8.230 nan 0.000 0.442 416 R N 0.234 120.805 120.500 0.119 0.000 2.119 416 R HA -0.125 4.215 4.340 0.000 0.000 0.222 416 R C 1.976 178.323 176.300 0.078 0.000 1.088 416 R CA 1.300 57.454 56.100 0.090 0.000 0.984 416 R CB 0.053 30.390 30.300 0.061 0.000 0.884 416 R HN 0.537 nan 8.270 nan 0.000 0.447 417 E N -0.801 119.454 120.200 0.091 0.000 2.385 417 E HA -0.155 4.195 4.350 0.000 0.000 0.194 417 E C 1.407 178.068 176.600 0.101 0.000 1.013 417 E CA 0.408 56.853 56.400 0.075 0.000 0.866 417 E CB -0.213 29.527 29.700 0.067 0.000 0.832 417 E HN 0.363 nan 8.360 nan 0.000 0.500 418 Y N 1.736 122.042 120.300 0.009 0.000 2.395 418 Y HA 0.183 4.733 4.550 0.000 0.000 0.293 418 Y C 2.300 178.201 175.900 0.003 0.000 1.123 418 Y CA 0.913 59.014 58.100 0.002 0.000 1.227 418 Y CB -0.121 38.336 38.460 -0.005 0.000 1.012 418 Y HN 0.121 nan 8.280 nan 0.000 0.552 419 A N 0.420 123.193 122.820 -0.078 0.000 1.968 419 A HA -0.121 4.199 4.320 0.000 0.000 0.217 419 A C 1.993 179.495 177.584 -0.137 0.000 1.169 419 A CA 1.496 53.445 52.037 -0.147 0.000 0.638 419 A CB -0.557 18.441 19.000 -0.004 0.000 0.812 419 A HN 0.607 nan 8.150 nan 0.000 0.446 420 E N -0.453 119.702 120.200 -0.076 0.000 2.204 420 E HA -0.113 4.237 4.350 0.000 0.000 0.195 420 E C 1.566 178.114 176.600 -0.086 0.000 0.990 420 E CA 0.686 57.051 56.400 -0.058 0.000 0.821 420 E CB -0.243 29.444 29.700 -0.023 0.000 0.750 420 E HN 0.583 nan 8.360 nan 0.000 0.477 421 G N 0.770 109.487 108.800 -0.138 0.000 3.327 421 G HA2 0.200 4.161 3.960 0.000 0.000 0.240 421 G HA3 0.200 4.161 3.960 0.000 0.000 0.240 421 G C 0.241 175.024 174.900 -0.195 0.000 1.222 421 G CA -0.229 44.785 45.100 -0.142 0.000 0.871 421 G HN 0.013 nan 8.290 nan 0.000 0.525 422 I N 1.673 122.124 120.570 -0.199 0.000 2.418 422 I HA 0.257 4.427 4.170 0.000 0.000 0.287 422 I C -0.124 175.933 176.117 -0.100 0.000 1.008 422 I CA -0.745 60.448 61.300 -0.178 0.000 1.104 422 I CB 2.225 40.086 38.000 -0.232 0.000 1.264 422 I HN 0.062 nan 8.210 nan 0.000 0.438 423 S N 4.231 119.888 115.700 -0.073 0.000 2.578 423 S HA 0.950 5.420 4.470 0.000 0.000 0.283 423 S C 0.131 174.708 174.600 -0.038 0.000 1.195 423 S CA -0.163 58.008 58.200 -0.047 0.000 1.050 423 S CB 1.879 65.056 63.200 -0.037 0.000 1.012 423 S HN 1.227 nan 8.310 nan 0.000 0.511 424 G N 1.338 110.122 108.800 -0.027 0.000 2.462 424 G HA2 -0.095 3.865 3.960 0.000 0.000 0.685 424 G HA3 -0.095 3.865 3.960 0.000 0.000 0.685 424 G C -0.129 174.763 174.900 -0.014 0.000 1.295 424 G CA -0.524 44.564 45.100 -0.020 0.000 0.941 424 G HN 0.704 nan 8.290 nan 0.000 0.554 425 R N 0.299 120.794 120.500 -0.007 0.000 2.275 425 R HA 0.103 4.443 4.340 0.000 0.000 0.199 425 R C 2.501 178.806 176.300 0.007 0.000 0.989 425 R CA 1.415 57.516 56.100 0.002 0.000 1.016 425 R CB -0.141 30.162 30.300 0.006 0.000 0.918 425 R HN 0.753 nan 8.270 nan 0.000 0.473 426 E N 0.217 120.419 120.200 0.003 0.000 2.204 426 E HA -0.302 4.048 4.350 0.000 0.000 0.195 426 E C 1.692 178.307 176.600 0.024 0.000 0.990 426 E CA 0.911 57.320 56.400 0.014 0.000 0.821 426 E CB -0.241 29.463 29.700 0.006 0.000 0.750 426 E HN 0.366 nan 8.360 nan 0.000 0.477 427 Q N 1.292 121.094 119.800 0.002 0.000 2.152 427 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 427 Q C 2.194 178.215 176.000 0.034 0.000 0.985 427 Q CA 1.333 57.134 55.803 -0.003 0.000 0.863 427 Q CB -0.113 28.610 28.738 -0.024 0.000 0.904 427 Q HN 0.453 nan 8.270 nan 0.000 0.422 428 L N -0.153 121.095 121.223 0.041 0.000 2.275 428 L HA -0.079 4.262 4.340 0.000 0.000 0.215 428 L C 2.371 179.306 176.870 0.109 0.000 1.119 428 L CA 0.721 55.596 54.840 0.059 0.000 0.790 428 L CB -0.368 41.716 42.059 0.040 0.000 0.919 428 L HN 0.264 nan 8.230 nan 0.000 0.443 429 A N -0.651 122.247 122.820 0.130 0.000 1.984 429 A HA -0.008 4.312 4.320 0.000 0.000 0.214 429 A C 2.245 180.058 177.584 0.382 0.000 1.173 429 A CA 0.611 52.798 52.037 0.250 0.000 0.673 429 A CB -0.323 18.772 19.000 0.159 0.000 0.830 429 A HN 0.138 nan 8.150 nan 0.000 0.453 430 V N 0.394 120.445 119.914 0.229 0.000 2.358 430 V HA -0.244 3.876 4.120 0.000 0.000 0.246 430 V C 2.556 178.770 176.094 0.200 0.000 1.047 430 V CA 2.127 64.545 62.300 0.196 0.000 1.035 430 V CB -0.849 31.046 31.823 0.119 0.000 0.658 430 V HN 0.511 nan 8.190 nan 0.000 0.452 431 R N 0.362 120.951 120.500 0.149 0.000 2.120 431 R HA -0.084 4.256 4.340 0.000 0.000 0.234 431 R C 2.414 178.797 176.300 0.138 0.000 1.123 431 R CA 1.383 57.555 56.100 0.121 0.000 0.975 431 R CB -0.556 29.791 30.300 0.079 0.000 0.866 431 R HN 0.538 nan 8.270 nan 0.000 0.446 432 A N 0.612 123.545 122.820 0.188 0.000 1.898 432 A HA -0.162 4.158 4.320 0.000 0.000 0.216 432 A C 1.942 179.610 177.584 0.140 0.000 1.181 432 A CA 0.925 53.077 52.037 0.191 0.000 0.620 432 A CB -0.551 18.628 19.000 0.298 0.000 0.819 432 A HN 0.334 nan 8.150 nan 0.000 0.442 433 F N 0.721 120.669 119.950 -0.004 0.000 2.146 433 F HA -0.055 4.472 4.527 0.000 0.000 0.298 433 F C 2.567 178.302 175.800 -0.108 0.000 1.096 433 F CA 1.252 59.125 58.000 -0.211 0.000 1.275 433 F CB -0.167 38.673 39.000 -0.267 0.000 1.008 433 F HN 0.261 nan 8.300 nan 0.000 0.480 434 A N -0.109 122.847 122.820 0.225 0.000 1.902 434 A HA -0.208 4.112 4.320 0.000 0.000 0.217 434 A C 1.842 179.439 177.584 0.021 0.000 1.181 434 A CA 2.052 54.171 52.037 0.136 0.000 0.623 434 A CB -0.940 18.137 19.000 0.128 0.000 0.818 434 A HN 0.407 nan 8.150 nan 0.000 0.443 435 D N -0.115 120.292 120.400 0.013 0.000 2.269 435 D HA 0.062 4.702 4.640 0.000 0.000 0.208 435 D C 2.034 178.295 176.300 -0.065 0.000 0.963 435 D CA 1.166 55.156 54.000 -0.017 0.000 0.864 435 D CB -0.254 40.548 40.800 0.005 0.000 0.936 435 D HN 0.445 nan 8.370 nan 0.000 0.505 436 A N 0.353 123.099 122.820 -0.123 0.000 1.968 436 A HA -0.031 4.289 4.320 0.000 0.000 0.217 436 A C 2.228 179.695 177.584 -0.195 0.000 1.169 436 A CA 0.481 52.407 52.037 -0.185 0.000 0.638 436 A CB -0.571 18.242 19.000 -0.311 0.000 0.812 436 A HN 0.194 nan 8.150 nan 0.000 0.446 437 L N -0.436 120.667 121.223 -0.200 0.000 2.191 437 L HA -0.157 4.183 4.340 0.000 0.000 0.212 437 L C 1.964 178.772 176.870 -0.103 0.000 1.103 437 L CA 1.085 55.834 54.840 -0.153 0.000 0.769 437 L CB -0.420 41.579 42.059 -0.099 0.000 0.908 437 L HN 0.447 nan 8.230 nan 0.000 0.438 438 E N -0.647 119.500 120.200 -0.088 0.000 2.526 438 E HA -0.129 4.221 4.350 0.000 0.000 0.198 438 E C 1.895 178.452 176.600 -0.071 0.000 1.091 438 E CA 0.051 56.407 56.400 -0.074 0.000 0.880 438 E CB 0.192 29.854 29.700 -0.063 0.000 0.873 438 E HN 0.267 nan 8.360 nan 0.000 0.527 439 V N 0.657 120.523 119.914 -0.079 0.000 2.871 439 V HA -0.153 3.967 4.120 0.000 0.000 0.256 439 V C 1.618 177.674 176.094 -0.064 0.000 1.082 439 V CA 0.785 63.043 62.300 -0.070 0.000 1.105 439 V CB -0.076 31.700 31.823 -0.078 0.000 0.713 439 V HN 0.262 nan 8.190 nan 0.000 0.473 440 I N 1.138 121.668 120.570 -0.066 0.000 2.233 440 I HA -0.013 4.157 4.170 0.000 0.000 0.243 440 I C 0.060 176.145 176.117 -0.053 0.000 1.093 440 I CA 1.316 62.582 61.300 -0.056 0.000 1.380 440 I CB -2.745 35.223 38.000 -0.053 0.000 1.067 440 I HN 0.345 nan 8.210 nan 0.000 0.413 441 P HA -0.113 nan 4.420 nan 0.000 0.218 441 P C 1.878 179.147 177.300 -0.052 0.000 1.149 441 P CA 1.400 64.468 63.100 -0.054 0.000 0.817 441 P CB -0.079 31.583 31.700 -0.063 0.000 0.785 442 R N -0.208 120.261 120.500 -0.052 0.000 2.062 442 R HA -0.078 4.262 4.340 0.000 0.000 0.229 442 R C 2.115 178.387 176.300 -0.046 0.000 1.128 442 R CA 2.143 58.215 56.100 -0.047 0.000 0.960 442 R CB -0.873 29.400 30.300 -0.045 0.000 0.855 442 R HN 0.218 nan 8.270 nan 0.000 0.432 443 T N -1.359 113.166 114.554 -0.047 0.000 3.035 443 T HA -0.002 4.348 4.350 0.000 0.000 0.268 443 T C 1.859 176.529 174.700 -0.050 0.000 1.109 443 T CA 0.601 62.673 62.100 -0.046 0.000 1.119 443 T CB -0.113 68.728 68.868 -0.044 0.000 0.900 443 T HN 0.156 nan 8.240 nan 0.000 0.503 444 L N 0.412 121.602 121.223 -0.055 0.000 2.109 444 L HA 0.143 4.483 4.340 0.000 0.000 0.207 444 L C 3.231 180.057 176.870 -0.073 0.000 1.086 444 L CA 1.097 55.897 54.840 -0.066 0.000 0.760 444 L CB -0.607 41.412 42.059 -0.066 0.000 0.910 444 L HN 0.392 nan 8.230 nan 0.000 0.437 445 A N -0.112 122.671 122.820 -0.061 0.000 1.897 445 A HA -0.162 4.158 4.320 0.000 0.000 0.215 445 A C 2.118 179.671 177.584 -0.052 0.000 1.181 445 A CA 1.131 53.133 52.037 -0.058 0.000 0.620 445 A CB -0.323 18.649 19.000 -0.046 0.000 0.821 445 A HN 0.376 nan 8.150 nan 0.000 0.443 446 E N 0.353 120.525 120.200 -0.045 0.000 2.049 446 E HA -0.212 4.138 4.350 0.000 0.000 0.198 446 E C 1.618 178.193 176.600 -0.042 0.000 1.007 446 E CA 1.420 57.796 56.400 -0.039 0.000 0.809 446 E CB -0.252 29.426 29.700 -0.036 0.000 0.749 446 E HN 0.540 nan 8.360 nan 0.000 0.450 447 N N 0.412 119.083 118.700 -0.048 0.000 2.309 447 N HA -0.085 4.655 4.740 0.000 0.000 0.182 447 N C 1.520 176.995 175.510 -0.058 0.000 1.018 447 N CA 1.024 54.045 53.050 -0.048 0.000 0.876 447 N CB -0.140 38.318 38.487 -0.049 0.000 0.972 447 N HN 0.125 nan 8.380 nan 0.000 0.434 448 A N 0.024 122.800 122.820 -0.073 0.000 2.014 448 A HA 0.287 4.607 4.320 0.000 0.000 0.218 448 A C 1.798 179.347 177.584 -0.059 0.000 1.163 448 A CA 1.576 53.560 52.037 -0.088 0.000 0.652 448 A CB -0.327 18.604 19.000 -0.115 0.000 0.808 448 A HN 0.358 nan 8.150 nan 0.000 0.449 449 G N -2.281 106.492 108.800 -0.046 0.000 2.232 449 G HA2 -0.176 3.784 3.960 0.000 0.000 0.226 449 G HA3 -0.176 3.784 3.960 0.000 0.000 0.226 449 G C 0.158 175.041 174.900 -0.030 0.000 0.996 449 G CA 0.151 45.232 45.100 -0.032 0.000 0.626 449 G HN 0.388 nan 8.290 nan 0.000 0.509 450 L N 1.324 122.525 121.223 -0.036 0.000 2.474 450 L HA 0.489 4.829 4.340 0.000 0.000 0.259 450 L C 0.737 177.591 176.870 -0.027 0.000 1.232 450 L CA -0.018 54.804 54.840 -0.030 0.000 0.821 450 L CB 0.337 42.375 42.059 -0.035 0.000 1.108 450 L HN 0.163 nan 8.230 nan 0.000 0.495 451 D N 0.075 120.462 120.400 -0.021 0.000 2.338 451 D HA 0.246 4.886 4.640 0.000 0.000 0.255 451 D C 0.607 176.894 176.300 -0.022 0.000 1.237 451 D CA 0.291 54.279 54.000 -0.019 0.000 0.883 451 D CB 1.423 42.215 40.800 -0.014 0.000 1.087 451 D HN 0.558 nan 8.370 nan 0.000 0.485 452 A N 4.281 127.086 122.820 -0.025 0.000 1.969 452 A HA -0.102 4.218 4.320 0.000 0.000 0.218 452 A C 2.107 179.676 177.584 -0.025 0.000 1.169 452 A CA 0.861 52.881 52.037 -0.028 0.000 0.635 452 A CB -0.373 18.608 19.000 -0.031 0.000 0.810 452 A HN 0.737 nan 8.150 nan 0.000 0.445 453 I N -0.951 119.607 120.570 -0.021 0.000 2.333 453 I HA -0.137 4.033 4.170 0.000 0.000 0.246 453 I C 2.419 178.527 176.117 -0.016 0.000 1.106 453 I CA 1.545 62.834 61.300 -0.018 0.000 1.411 453 I CB -0.359 37.632 38.000 -0.015 0.000 1.082 453 I HN 0.319 nan 8.210 nan 0.000 0.420 454 E N 1.976 122.167 120.200 -0.014 0.000 2.047 454 E HA -0.164 4.186 4.350 0.000 0.000 0.191 454 E C 2.127 178.721 176.600 -0.010 0.000 0.987 454 E CA 1.537 57.931 56.400 -0.010 0.000 0.799 454 E CB -0.223 29.471 29.700 -0.009 0.000 0.752 454 E HN 0.428 nan 8.360 nan 0.000 0.449 455 I N 0.055 120.616 120.570 -0.014 0.000 2.226 455 I HA -0.217 3.953 4.170 0.000 0.000 0.245 455 I C 2.167 178.274 176.117 -0.017 0.000 1.100 455 I CA 0.566 61.858 61.300 -0.014 0.000 1.374 455 I CB -0.211 37.776 38.000 -0.020 0.000 1.057 455 I HN 0.213 nan 8.210 nan 0.000 0.413 456 L N 0.234 121.443 121.223 -0.024 0.000 2.261 456 L HA -0.152 4.188 4.340 0.000 0.000 0.216 456 L C 2.100 178.954 176.870 -0.027 0.000 1.114 456 L CA 1.547 56.368 54.840 -0.032 0.000 0.777 456 L CB -0.264 41.774 42.059 -0.034 0.000 0.910 456 L HN -0.005 nan 8.230 nan 0.000 0.440 457 V N -1.449 118.456 119.914 -0.015 0.000 2.599 457 V HA -0.122 3.998 4.120 0.000 0.000 0.245 457 V C 2.329 178.424 176.094 0.002 0.000 1.046 457 V CA 1.085 63.380 62.300 -0.007 0.000 1.065 457 V CB -0.335 31.485 31.823 -0.004 0.000 0.703 457 V HN 0.371 nan 8.190 nan 0.000 0.464 458 K N -0.129 120.274 120.400 0.005 0.000 2.155 458 K HA -0.054 4.266 4.320 0.000 0.000 0.203 458 K C 1.981 178.601 176.600 0.033 0.000 1.052 458 K CA 1.024 57.321 56.287 0.017 0.000 0.948 458 K CB -0.097 32.411 32.500 0.013 0.000 0.728 458 K HN 0.316 nan 8.250 nan 0.000 0.448 459 V N 0.898 120.826 119.914 0.023 0.000 2.649 459 V HA -0.106 4.014 4.120 0.000 0.000 0.248 459 V C 2.256 178.375 176.094 0.041 0.000 1.054 459 V CA 1.176 63.504 62.300 0.047 0.000 1.073 459 V CB -0.328 31.492 31.823 -0.005 0.000 0.699 459 V HN 0.245 nan 8.190 nan 0.000 0.463 460 R N 0.261 120.752 120.500 -0.015 0.000 2.092 460 R HA -0.074 4.266 4.340 0.000 0.000 0.231 460 R C 2.187 178.516 176.300 0.048 0.000 1.119 460 R CA 1.450 57.535 56.100 -0.025 0.000 0.970 460 R CB -0.267 30.014 30.300 -0.031 0.000 0.864 460 R HN 0.492 nan 8.270 nan 0.000 0.440 461 A N -0.053 122.796 122.820 0.048 0.000 2.067 461 A HA 0.100 4.420 4.320 0.000 0.000 0.217 461 A C 1.860 179.486 177.584 0.069 0.000 1.156 461 A CA 1.098 53.165 52.037 0.051 0.000 0.683 461 A CB -0.069 18.950 19.000 0.031 0.000 0.808 461 A HN 0.407 nan 8.150 nan 0.000 0.455 462 A N -2.175 120.704 122.820 0.098 0.000 2.278 462 A HA 0.158 4.478 4.320 0.000 0.000 0.212 462 A C 1.513 179.153 177.584 0.094 0.000 1.213 462 A CA 0.359 52.447 52.037 0.086 0.000 0.840 462 A CB -0.578 18.470 19.000 0.081 0.000 0.866 462 A HN 0.653 nan 8.150 nan 0.000 0.489 463 H N -1.171 117.902 119.070 0.005 0.000 2.855 463 H HA 0.333 4.889 4.556 0.000 0.000 0.259 463 H C 1.143 176.476 175.328 0.007 0.000 0.972 463 H CA 0.485 56.536 56.048 0.006 0.000 1.213 463 H CB 0.499 30.264 29.762 0.006 0.000 1.451 463 H HN 0.508 nan 8.280 nan 0.000 0.484 464 A N 1.496 124.386 122.820 0.117 0.000 2.462 464 A HA 0.325 4.645 4.320 0.000 0.000 0.243 464 A C 1.196 178.802 177.584 0.037 0.000 1.076 464 A CA 0.789 52.866 52.037 0.068 0.000 0.773 464 A CB 0.259 19.290 19.000 0.053 0.000 1.010 464 A HN 0.681 nan 8.150 nan 0.000 0.493 465 S N 1.692 117.410 115.700 0.030 0.000 4.158 465 S HA -0.268 4.202 4.470 0.000 0.000 0.615 465 S C 0.931 175.536 174.600 0.009 0.000 1.866 465 S CA 1.274 59.484 58.200 0.017 0.000 4.249 465 S CB -1.626 61.580 63.200 0.011 0.000 0.202 465 S HN 0.880 nan 8.310 nan 0.000 0.455 466 N N 2.591 121.289 118.700 -0.004 0.000 3.039 466 N HA 0.393 5.133 4.740 0.000 0.000 0.231 466 N C 0.979 176.466 175.510 -0.040 0.000 1.053 466 N CA 0.846 53.887 53.050 -0.015 0.000 1.191 466 N CB -0.974 37.505 38.487 -0.013 0.000 1.597 466 N HN 0.993 nan 8.380 nan 0.000 0.585 467 G N 0.653 109.424 108.800 -0.048 0.000 2.606 467 G HA2 0.132 4.092 3.960 0.000 0.000 0.252 467 G HA3 0.132 4.092 3.960 0.000 0.000 0.252 467 G C 0.529 175.350 174.900 -0.132 0.000 1.206 467 G CA -0.157 44.893 45.100 -0.084 0.000 0.861 467 G HN 0.184 nan 8.290 nan 0.000 0.561 468 N N -0.229 118.322 118.700 -0.248 0.000 2.436 468 N HA -0.003 4.737 4.740 0.000 0.000 0.178 468 N C 1.644 176.993 175.510 -0.267 0.000 1.026 468 N CA 0.789 53.708 53.050 -0.217 0.000 0.880 468 N CB 0.059 38.438 38.487 -0.179 0.000 1.061 468 N HN 0.814 nan 8.380 nan 0.000 0.434 469 K N -0.865 119.211 120.400 -0.541 0.000 3.459 469 K HA -0.196 4.124 4.320 0.000 0.000 0.291 469 K C 0.240 176.746 176.600 -0.157 0.000 0.863 469 K CA 1.300 57.383 56.287 -0.340 0.000 1.269 469 K CB -1.728 30.706 32.500 -0.110 0.000 1.300 469 K HN 0.299 nan 8.250 nan 0.000 0.507 470 c N 2.154 120.667 118.600 -0.145 0.000 2.778 470 c HA 0.684 5.255 4.570 0.000 0.000 0.294 470 c C 0.666 174.752 174.090 -0.008 0.000 1.331 470 c CA 0.287 56.595 56.329 -0.034 0.000 1.741 470 c CB -0.871 41.623 42.510 -0.026 0.000 2.106 470 c HN 0.448 nan 8.230 nan 0.000 0.603 471 A N 0.488 123.290 122.820 -0.030 0.000 2.274 471 A HA 0.771 5.091 4.320 0.000 0.000 0.309 471 A C 0.333 178.041 177.584 0.206 0.000 1.226 471 A CA 0.407 52.479 52.037 0.059 0.000 0.853 471 A CB 0.347 19.346 19.000 -0.001 0.000 1.146 471 A HN 0.768 nan 8.150 nan 0.000 0.518 472 G N 0.293 109.160 108.800 0.111 0.000 2.645 472 G HA2 0.522 4.482 3.960 0.000 0.000 0.292 472 G HA3 0.522 4.482 3.960 0.000 0.000 0.292 472 G C -1.516 173.409 174.900 0.042 0.000 1.415 472 G CA -0.740 44.410 45.100 0.083 0.000 0.785 472 G HN 1.060 nan 8.290 nan 0.000 0.483 473 L N 0.979 122.211 121.223 0.015 0.000 2.360 473 L HA 0.523 4.863 4.340 0.000 0.000 0.276 473 L C -0.174 176.689 176.870 -0.012 0.000 1.121 473 L CA -0.840 53.998 54.840 -0.005 0.000 0.845 473 L CB 0.772 42.814 42.059 -0.027 0.000 1.143 473 L HN 0.440 nan 8.230 nan 0.000 0.452 474 N N 3.499 122.198 118.700 -0.002 0.000 2.462 474 N HA 0.126 4.866 4.740 0.000 0.000 0.242 474 N C 0.920 176.391 175.510 -0.064 0.000 1.010 474 N CA -0.127 52.926 53.050 0.004 0.000 0.939 474 N CB 1.200 39.729 38.487 0.070 0.000 1.127 474 N HN 0.552 nan 8.380 nan 0.000 0.509 475 V N 1.774 121.554 119.914 -0.224 0.000 2.867 475 V HA -0.083 4.038 4.120 0.000 0.000 0.260 475 V C 1.158 177.018 176.094 -0.390 0.000 1.099 475 V CA 1.357 63.440 62.300 -0.362 0.000 1.122 475 V CB -1.086 30.417 31.823 -0.532 0.000 0.708 475 V HN 0.375 nan 8.190 nan 0.000 0.490 476 F N 1.205 121.156 119.950 0.001 0.000 2.317 476 F HA 0.122 4.649 4.527 0.000 0.000 0.290 476 F C 2.618 178.418 175.800 0.001 0.000 1.075 476 F CA 1.380 59.380 58.000 0.001 0.000 1.380 476 F CB -1.257 37.743 39.000 0.001 0.000 1.093 476 F HN 0.023 nan 8.300 nan 0.000 0.524 477 T N -0.953 113.704 114.554 0.172 0.000 2.812 477 T HA 0.163 4.513 4.350 0.000 0.000 0.264 477 T C 2.096 176.826 174.700 0.051 0.000 1.042 477 T CA 1.592 63.750 62.100 0.096 0.000 1.140 477 T CB -0.743 68.171 68.868 0.078 0.000 0.870 477 T HN 0.513 nan 8.240 nan 0.000 0.445 478 G N 1.285 110.099 108.800 0.024 0.000 2.399 478 G HA2 -0.099 3.861 3.960 0.000 0.000 0.216 478 G HA3 -0.099 3.861 3.960 0.000 0.000 0.216 478 G C 0.351 175.253 174.900 0.003 0.000 1.096 478 G CA 0.049 45.151 45.100 0.003 0.000 0.650 478 G HN 0.935 nan 8.290 nan 0.000 0.512 479 A N -0.007 122.822 122.820 0.014 0.000 2.252 479 A HA 0.795 5.115 4.320 0.000 0.000 0.305 479 A C 0.561 178.155 177.584 0.017 0.000 1.097 479 A CA 0.444 52.490 52.037 0.014 0.000 0.849 479 A CB 1.419 20.429 19.000 0.016 0.000 1.142 479 A HN 1.698 nan 8.150 nan 0.000 0.499 480 V N 0.604 120.530 119.914 0.019 0.000 2.439 480 V HA 0.331 4.451 4.120 0.000 0.000 0.271 480 V C 0.085 176.196 176.094 0.029 0.000 1.040 480 V CA 0.349 62.665 62.300 0.027 0.000 1.002 480 V CB 0.148 31.991 31.823 0.034 0.000 1.000 480 V HN 0.943 nan 8.190 nan 0.000 0.477 481 E N 4.012 124.232 120.200 0.033 0.000 2.339 481 E HA 0.344 4.694 4.350 0.000 0.000 0.262 481 E C -1.059 175.558 176.600 0.028 0.000 0.934 481 E CA -0.878 55.540 56.400 0.030 0.000 0.802 481 E CB 1.496 31.218 29.700 0.037 0.000 1.275 481 E HN 0.787 nan 8.360 nan 0.000 0.427 482 D N 2.436 122.847 120.400 0.019 0.000 2.336 482 D HA 0.047 4.687 4.640 0.000 0.000 0.249 482 D C 0.841 177.153 176.300 0.019 0.000 1.213 482 D CA -0.011 53.995 54.000 0.011 0.000 0.870 482 D CB 0.781 41.581 40.800 0.000 0.000 1.076 482 D HN 0.415 nan 8.370 nan 0.000 0.483 483 M N 2.502 122.117 119.600 0.025 0.000 2.394 483 M HA -0.099 4.381 4.480 0.000 0.000 0.264 483 M C 2.131 178.445 176.300 0.024 0.000 1.073 483 M CA 0.428 55.746 55.300 0.031 0.000 1.111 483 M CB -0.521 32.102 32.600 0.038 0.000 1.401 483 M HN 0.507 nan 8.290 nan 0.000 0.448 484 c N 0.681 119.289 118.600 0.015 0.000 2.466 484 c HA -0.095 4.475 4.570 0.000 0.000 0.278 484 c C 2.464 176.559 174.090 0.009 0.000 1.288 484 c CA 0.704 57.039 56.329 0.010 0.000 1.722 484 c CB -0.893 41.619 42.510 0.003 0.000 2.017 484 c HN 0.562 nan 8.230 nan 0.000 0.488 485 E N 0.923 121.128 120.200 0.008 0.000 2.347 485 E HA -0.102 4.248 4.350 0.000 0.000 0.196 485 E C 1.519 178.126 176.600 0.011 0.000 1.008 485 E CA 0.595 57.000 56.400 0.007 0.000 0.852 485 E CB -0.109 29.594 29.700 0.005 0.000 0.783 485 E HN 0.587 nan 8.360 nan 0.000 0.505 486 N N -0.153 118.558 118.700 0.018 0.000 2.250 486 N HA -0.026 4.715 4.740 0.000 0.000 0.181 486 N C 1.073 176.596 175.510 0.022 0.000 1.017 486 N CA 1.276 54.340 53.050 0.024 0.000 0.866 486 N CB 0.560 39.071 38.487 0.040 0.000 0.985 486 N HN 0.261 nan 8.380 nan 0.000 0.429 487 G N -0.918 107.895 108.800 0.021 0.000 2.151 487 G HA2 -0.182 3.778 3.960 0.000 0.000 0.156 487 G HA3 -0.182 3.778 3.960 0.000 0.000 0.156 487 G C -0.673 174.242 174.900 0.025 0.000 1.017 487 G CA -0.149 44.962 45.100 0.018 0.000 0.686 487 G HN 0.124 nan 8.290 nan 0.000 0.503 488 V N 1.428 121.361 119.914 0.032 0.000 2.288 488 V HA 0.650 4.770 4.120 0.000 0.000 0.266 488 V C 0.512 176.624 176.094 0.029 0.000 1.048 488 V CA -0.200 62.123 62.300 0.038 0.000 0.842 488 V CB 1.038 32.891 31.823 0.050 0.000 1.064 488 V HN 1.085 nan 8.190 nan 0.000 0.472 489 V N 1.871 121.800 119.914 0.024 0.000 2.971 489 V HA 0.795 4.915 4.120 0.000 0.000 0.309 489 V C -0.862 175.242 176.094 0.016 0.000 1.130 489 V CA -0.872 61.439 62.300 0.018 0.000 0.964 489 V CB 2.272 34.104 31.823 0.014 0.000 1.029 489 V HN 0.690 nan 8.190 nan 0.000 0.427 490 E N 3.097 123.305 120.200 0.013 0.000 2.312 490 E HA 0.635 4.985 4.350 0.000 0.000 0.267 490 E C -2.955 173.650 176.600 0.008 0.000 0.894 490 E CA -2.137 54.270 56.400 0.011 0.000 0.773 490 E CB 2.784 32.490 29.700 0.010 0.000 1.241 490 E HN 0.578 nan 8.360 nan 0.000 0.432 491 P HA -0.039 nan 4.420 nan 0.000 0.269 491 P C 0.320 177.622 177.300 0.004 0.000 1.209 491 P CA -0.294 62.809 63.100 0.005 0.000 0.776 491 P CB 0.567 32.269 31.700 0.003 0.000 0.876 492 L N 3.207 124.432 121.223 0.004 0.000 2.127 492 L HA -0.124 4.216 4.340 0.000 0.000 0.211 492 L C 2.183 179.055 176.870 0.003 0.000 1.089 492 L CA 1.789 56.631 54.840 0.003 0.000 0.757 492 L CB -0.780 41.280 42.059 0.002 0.000 0.899 492 L HN 0.309 nan 8.230 nan 0.000 0.434 493 R N -1.303 119.199 120.500 0.003 0.000 2.189 493 R HA -0.083 4.257 4.340 0.000 0.000 0.223 493 R C 1.967 178.269 176.300 0.003 0.000 1.092 493 R CA 1.182 57.283 56.100 0.002 0.000 0.989 493 R CB -0.052 30.249 30.300 0.002 0.000 0.876 493 R HN 0.364 nan 8.270 nan 0.000 0.457 494 V N 1.116 121.031 119.914 0.003 0.000 2.358 494 V HA -0.225 3.895 4.120 0.000 0.000 0.246 494 V C 2.153 178.248 176.094 0.001 0.000 1.047 494 V CA 1.635 63.936 62.300 0.002 0.000 1.035 494 V CB -0.259 31.565 31.823 0.002 0.000 0.658 494 V HN 0.235 nan 8.190 nan 0.000 0.452 495 K N 0.454 120.856 120.400 0.003 0.000 2.098 495 K HA -0.027 4.293 4.320 0.000 0.000 0.203 495 K C 2.361 178.965 176.600 0.007 0.000 1.051 495 K CA 1.686 57.975 56.287 0.003 0.000 0.957 495 K CB -1.041 31.462 32.500 0.005 0.000 0.738 495 K HN 0.677 nan 8.250 nan 0.000 0.447 496 T N -0.444 114.114 114.554 0.007 0.000 2.821 496 T HA -0.175 4.175 4.350 0.000 0.000 0.267 496 T C 2.108 176.815 174.700 0.012 0.000 1.046 496 T CA 1.285 63.391 62.100 0.010 0.000 1.139 496 T CB -0.075 68.796 68.868 0.004 0.000 0.871 496 T HN 0.040 nan 8.240 nan 0.000 0.454 497 Q N 1.827 121.632 119.800 0.009 0.000 2.046 497 Q HA 0.206 4.546 4.340 0.000 0.000 0.200 497 Q C 2.493 178.499 176.000 0.010 0.000 0.975 497 Q CA 1.794 57.602 55.803 0.009 0.000 0.836 497 Q CB -0.987 27.755 28.738 0.006 0.000 0.896 497 Q HN 0.629 nan 8.270 nan 0.000 0.428 498 A N 0.192 123.015 122.820 0.005 0.000 1.940 498 A HA -0.160 4.160 4.320 0.000 0.000 0.219 498 A C 2.106 179.691 177.584 0.002 0.000 1.176 498 A CA 1.609 53.645 52.037 -0.001 0.000 0.631 498 A CB -0.714 18.280 19.000 -0.010 0.000 0.814 498 A HN 0.503 nan 8.150 nan 0.000 0.446 499 I N -1.462 119.119 120.570 0.017 0.000 2.333 499 I HA -0.189 3.981 4.170 0.000 0.000 0.246 499 I C 2.721 178.886 176.117 0.080 0.000 1.106 499 I CA 1.445 62.774 61.300 0.047 0.000 1.411 499 I CB -0.203 37.845 38.000 0.081 0.000 1.082 499 I HN 0.359 nan 8.210 nan 0.000 0.420 500 Q N 1.173 121.007 119.800 0.056 0.000 2.046 500 Q HA -0.184 4.156 4.340 0.000 0.000 0.200 500 Q C 2.367 178.398 176.000 0.051 0.000 0.975 500 Q CA 2.522 58.357 55.803 0.053 0.000 0.836 500 Q CB -0.223 28.534 28.738 0.031 0.000 0.896 500 Q HN 0.539 nan 8.270 nan 0.000 0.428 501 S N -0.719 115.001 115.700 0.035 0.000 2.406 501 S HA 0.003 4.473 4.470 0.000 0.000 0.228 501 S C 2.056 176.675 174.600 0.032 0.000 1.020 501 S CA 0.805 59.023 58.200 0.030 0.000 0.965 501 S CB -0.494 62.717 63.200 0.019 0.000 0.798 501 S HN 0.427 nan 8.310 nan 0.000 0.488 502 A N 1.895 124.729 122.820 0.024 0.000 1.930 502 A HA 0.405 4.725 4.320 0.000 0.000 0.217 502 A C 2.480 180.093 177.584 0.048 0.000 1.175 502 A CA 1.487 53.531 52.037 0.011 0.000 0.627 502 A CB -1.301 17.675 19.000 -0.039 0.000 0.815 502 A HN 0.820 nan 8.150 nan 0.000 0.443 503 A N -0.310 122.567 122.820 0.096 0.000 1.929 503 A HA -0.085 4.235 4.320 0.000 0.000 0.216 503 A C 1.911 179.587 177.584 0.154 0.000 1.176 503 A CA 1.461 53.608 52.037 0.183 0.000 0.628 503 A CB -0.373 18.780 19.000 0.255 0.000 0.816 503 A HN 0.601 nan 8.150 nan 0.000 0.444 504 E N 0.151 120.412 120.200 0.101 0.000 2.158 504 E HA -0.108 4.242 4.350 0.000 0.000 0.191 504 E C 2.348 178.993 176.600 0.076 0.000 0.982 504 E CA 1.186 57.635 56.400 0.082 0.000 0.823 504 E CB -0.069 29.666 29.700 0.057 0.000 0.766 504 E HN 0.789 nan 8.360 nan 0.000 0.468 505 S N 0.503 116.244 115.700 0.068 0.000 2.377 505 S HA -0.127 4.343 4.470 0.000 0.000 0.223 505 S C 2.298 176.941 174.600 0.070 0.000 1.030 505 S CA 1.394 59.628 58.200 0.058 0.000 0.970 505 S CB -0.665 62.559 63.200 0.041 0.000 0.830 505 S HN 0.306 nan 8.310 nan 0.000 0.473 506 T N 0.009 114.618 114.554 0.093 0.000 2.995 506 T HA 0.109 4.459 4.350 0.000 0.000 0.269 506 T C 1.547 176.335 174.700 0.146 0.000 1.091 506 T CA 0.959 63.129 62.100 0.118 0.000 1.128 506 T CB -0.530 68.430 68.868 0.154 0.000 0.891 506 T HN 0.520 nan 8.240 nan 0.000 0.492 507 E N 0.547 120.847 120.200 0.165 0.000 2.204 507 E HA -0.039 4.311 4.350 0.000 0.000 0.195 507 E C 2.031 178.679 176.600 0.081 0.000 0.990 507 E CA 1.152 57.636 56.400 0.141 0.000 0.821 507 E CB -0.231 29.556 29.700 0.146 0.000 0.750 507 E HN 0.613 nan 8.360 nan 0.000 0.477 508 M N 0.285 119.928 119.600 0.072 0.000 2.248 508 M HA -0.062 4.418 4.480 0.000 0.000 0.265 508 M C 1.900 178.227 176.300 0.046 0.000 1.079 508 M CA 1.090 56.421 55.300 0.053 0.000 1.150 508 M CB 0.168 32.797 32.600 0.049 0.000 1.366 508 M HN 0.060 nan 8.290 nan 0.000 0.433 509 L N 0.694 121.946 121.223 0.048 0.000 2.042 509 L HA -0.229 4.111 4.340 0.000 0.000 0.210 509 L C 2.371 179.259 176.870 0.029 0.000 1.076 509 L CA 1.258 56.122 54.840 0.040 0.000 0.749 509 L CB -0.756 41.326 42.059 0.038 0.000 0.893 509 L HN 0.394 nan 8.230 nan 0.000 0.432 510 L N -0.724 120.515 121.223 0.025 0.000 2.191 510 L HA -0.188 4.152 4.340 0.000 0.000 0.212 510 L C 2.586 179.456 176.870 0.000 0.000 1.103 510 L CA 1.038 55.877 54.840 -0.001 0.000 0.769 510 L CB -0.428 41.614 42.059 -0.028 0.000 0.908 510 L HN 0.217 nan 8.230 nan 0.000 0.438 511 R N -0.196 120.315 120.500 0.018 0.000 2.276 511 R HA 0.099 4.439 4.340 0.000 0.000 0.203 511 R C 0.459 176.773 176.300 0.023 0.000 1.017 511 R CA 0.235 56.349 56.100 0.024 0.000 1.010 511 R CB -0.093 30.227 30.300 0.033 0.000 0.900 511 R HN 0.291 nan 8.270 nan 0.000 0.469 512 I N 2.128 122.712 120.570 0.023 0.000 2.441 512 I HA -0.048 4.123 4.170 0.000 0.000 0.287 512 I C 0.905 177.034 176.117 0.020 0.000 1.049 512 I CA 0.172 61.488 61.300 0.027 0.000 1.381 512 I CB 0.969 38.993 38.000 0.040 0.000 1.409 512 I HN 0.109 nan 8.210 nan 0.000 0.523 513 D N 3.589 124.001 120.400 0.021 0.000 2.510 513 D HA 0.073 4.713 4.640 0.000 0.000 0.234 513 D C -0.098 176.220 176.300 0.029 0.000 1.178 513 D CA 0.047 54.056 54.000 0.014 0.000 0.816 513 D CB 0.723 41.521 40.800 -0.004 0.000 1.143 513 D HN 0.425 nan 8.370 nan 0.000 0.526 514 D N 0.377 120.800 120.400 0.038 0.000 2.947 514 D HA 0.371 5.011 4.640 0.000 0.000 0.224 514 D C -1.336 174.995 176.300 0.051 0.000 1.230 514 D CA -0.450 53.574 54.000 0.041 0.000 0.871 514 D CB 3.039 43.850 40.800 0.019 0.000 1.671 514 D HN -0.190 nan 8.370 nan 0.000 0.507 515 V N 3.789 123.741 119.914 0.064 0.000 2.735 515 V HA 0.552 4.672 4.120 0.000 0.000 0.310 515 V C 0.002 176.083 176.094 -0.023 0.000 1.061 515 V CA -0.697 61.640 62.300 0.061 0.000 0.913 515 V CB 2.094 34.021 31.823 0.173 0.000 1.005 515 V HN 0.464 nan 8.190 nan 0.000 0.428 516 I N 3.615 124.167 120.570 -0.030 0.000 2.466 516 I HA 0.650 4.820 4.170 0.000 0.000 0.279 516 I C 0.105 176.185 176.117 -0.062 0.000 1.033 516 I CA -0.397 60.863 61.300 -0.068 0.000 1.123 516 I CB 1.565 39.538 38.000 -0.045 0.000 1.237 516 I HN 0.699 nan 8.210 nan 0.000 0.460 517 A N 5.012 127.773 122.820 -0.097 0.000 2.288 517 A HA 0.899 5.219 4.320 0.000 0.000 0.320 517 A C 0.023 177.566 177.584 -0.069 0.000 1.217 517 A CA -0.335 51.660 52.037 -0.070 0.000 0.840 517 A CB 0.994 19.957 19.000 -0.062 0.000 1.179 517 A HN 0.716 nan 8.150 nan 0.000 0.504 518 A N 1.734 124.526 122.820 -0.046 0.000 2.247 518 A HA 0.784 5.105 4.320 0.000 0.000 0.313 518 A C 0.470 178.036 177.584 -0.031 0.000 1.109 518 A CA 0.167 52.181 52.037 -0.039 0.000 0.890 518 A CB 0.132 19.115 19.000 -0.029 0.000 1.239 518 A HN 1.234 nan 8.150 nan 0.000 0.506 519 E N 0.000 120.185 120.200 -0.026 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440