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 1rjn_1_A DATA FIRST_RESID 17 DATA SEQUENCE DNPFDAKAWR LVDGFDDLTD ITYHRHVDDA TVRVAFNRPE VRNAFRPHTV DATA SEQUENCE DELYRVLDHA RMSPDVGVVL LTGNGPSPKD GGWAFCSGGD QXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXARAGRLHI LEVQRLIRFM PKVVICLVNG WAAGGGHSLH DATA SEQUENCE VVCDLTLASR EYARFKQTDA DVGSFDGGYG SAYLARQVGQ KFAREIFFLG DATA SEQUENCE RTYTAEQMHQ MGAVNAVAEH AELETVGLQW AAEINAKSPQ AQRMLKFAFN DATA SEQUENCE LLDDGLVGQQ LFAGEATRLA YMTDEAVEGR 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 17 D HA 0.000 nan 4.640 nan 0.000 0.175 17 D C 0.000 176.442 176.300 0.236 0.000 2.045 17 D CA 0.000 54.108 54.000 0.180 0.000 0.868 17 D CB 0.000 40.922 40.800 0.204 0.000 0.688 18 N N 1.916 120.752 118.700 0.227 0.000 2.479 18 N HA 0.196 4.936 4.740 -0.000 0.000 0.285 18 N C -1.884 173.697 175.510 0.118 0.000 1.075 18 N CA -1.216 52.002 53.050 0.280 0.000 0.967 18 N CB 2.618 41.311 38.487 0.344 0.000 1.137 18 N HN -0.248 nan 8.380 nan 0.000 0.472 19 P HA -0.052 nan 4.420 nan 0.000 0.217 19 P C 0.118 177.485 177.300 0.112 0.000 1.150 19 P CA 0.759 63.814 63.100 -0.075 0.000 0.832 19 P CB 0.029 31.573 31.700 -0.260 0.000 0.787 20 F N 1.430 121.404 119.950 0.040 0.000 2.506 20 F HA 0.185 4.712 4.527 -0.000 0.000 0.371 20 F C 0.242 176.104 175.800 0.105 0.000 1.078 20 F CA -0.990 57.051 58.000 0.069 0.000 1.195 20 F CB -0.151 38.870 39.000 0.035 0.000 1.099 20 F HN -0.223 nan 8.300 nan 0.000 0.548 21 D N 5.358 125.490 120.400 -0.447 0.000 2.454 21 D HA 0.360 5.000 4.640 -0.000 0.000 0.225 21 D C 0.749 176.617 176.300 -0.720 0.000 1.081 21 D CA -0.043 53.709 54.000 -0.413 0.000 0.864 21 D CB 1.407 42.114 40.800 -0.154 0.000 1.040 21 D HN 0.648 nan 8.370 nan 0.000 0.517 22 A N 4.278 126.635 122.820 -0.772 0.000 2.024 22 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 22 A C 1.950 179.417 177.584 -0.195 0.000 1.164 22 A CA 1.256 52.987 52.037 -0.510 0.000 0.643 22 A CB -0.189 18.727 19.000 -0.140 0.000 0.806 22 A HN 0.436 nan 8.150 nan 0.000 0.451 23 K N -0.167 120.120 120.400 -0.189 0.000 2.288 23 K HA 0.163 4.483 4.320 -0.000 0.000 0.201 23 K C 1.647 178.116 176.600 -0.218 0.000 1.048 23 K CA 1.100 57.299 56.287 -0.146 0.000 0.956 23 K CB -0.339 32.088 32.500 -0.121 0.000 0.746 23 K HN 0.371 nan 8.250 nan 0.000 0.461 24 A N -1.010 121.615 122.820 -0.324 0.000 2.178 24 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 24 A C -0.318 176.732 177.584 -0.889 0.000 1.157 24 A CA -0.026 51.638 52.037 -0.621 0.000 0.780 24 A CB -0.211 18.422 19.000 -0.610 0.000 0.828 24 A HN 0.263 nan 8.150 nan 0.000 0.476 25 W N -0.865 120.345 121.300 -0.151 0.000 2.781 25 W HA 0.719 5.379 4.660 -0.000 0.000 0.345 25 W C 0.139 176.694 176.519 0.061 0.000 1.085 25 W CA -0.730 56.601 57.345 -0.023 0.000 1.198 25 W CB 1.133 30.610 29.460 0.029 0.000 1.423 25 W HN -0.160 nan 8.180 nan 0.000 0.532 26 R N 1.729 122.462 120.500 0.388 0.000 2.628 26 R HA 0.490 4.830 4.340 -0.000 0.000 0.288 26 R C -0.763 175.689 176.300 0.253 0.000 0.980 26 R CA -1.184 55.070 56.100 0.258 0.000 0.891 26 R CB 2.016 32.378 30.300 0.103 0.000 1.188 26 R HN 0.415 nan 8.270 nan 0.000 0.450 27 L N 2.280 123.594 121.223 0.152 0.000 2.483 27 L HA 0.084 4.424 4.340 -0.000 0.000 0.276 27 L C 0.193 176.999 176.870 -0.106 0.000 1.213 27 L CA -0.149 54.640 54.840 -0.085 0.000 0.843 27 L CB 0.495 42.515 42.059 -0.065 0.000 1.107 27 L HN 0.257 nan 8.230 nan 0.000 0.487 28 V N 2.480 122.238 119.914 -0.260 0.000 2.488 28 V HA 0.035 4.155 4.120 -0.000 0.000 0.277 28 V C 0.145 176.223 176.094 -0.027 0.000 1.046 28 V CA -0.667 61.474 62.300 -0.265 0.000 0.986 28 V CB 0.975 32.312 31.823 -0.810 0.000 0.989 28 V HN 0.616 nan 8.190 nan 0.000 0.475 29 D N 3.945 124.356 120.400 0.019 0.000 2.455 29 D HA 0.323 4.963 4.640 -0.000 0.000 0.241 29 D C 1.159 177.499 176.300 0.068 0.000 1.138 29 D CA 1.502 55.530 54.000 0.046 0.000 0.877 29 D CB 1.332 42.153 40.800 0.036 0.000 1.187 29 D HN 0.969 nan 8.370 nan 0.000 0.451 30 G N 1.581 110.369 108.800 -0.021 0.000 2.179 30 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 30 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 30 G C 0.372 174.971 174.900 -0.501 0.000 0.990 30 G CA -0.438 44.521 45.100 -0.236 0.000 0.646 30 G HN 0.427 nan 8.290 nan 0.000 0.517 31 F N 2.002 121.918 119.950 -0.057 0.000 2.850 31 F HA 0.254 4.781 4.527 -0.000 0.000 0.329 31 F C 1.537 177.318 175.800 -0.031 0.000 1.182 31 F CA -0.232 57.750 58.000 -0.031 0.000 1.270 31 F CB 0.511 39.516 39.000 0.009 0.000 0.979 31 F HN 0.205 nan 8.300 nan 0.000 0.506 32 D N -0.375 120.062 120.400 0.060 0.000 2.312 32 D HA -0.171 4.469 4.640 -0.000 0.000 0.211 32 D C 1.073 177.398 176.300 0.042 0.000 0.964 32 D CA 1.033 55.059 54.000 0.043 0.000 0.877 32 D CB -0.206 40.603 40.800 0.016 0.000 0.924 32 D HN 0.403 nan 8.370 nan 0.000 0.515 33 D N 0.903 121.325 120.400 0.037 0.000 2.349 33 D HA -0.049 4.591 4.640 -0.000 0.000 0.224 33 D C 0.937 177.288 176.300 0.084 0.000 1.029 33 D CA -0.219 53.808 54.000 0.045 0.000 0.879 33 D CB -0.218 40.596 40.800 0.023 0.000 0.906 33 D HN 0.247 nan 8.370 nan 0.000 0.528 34 L N 1.324 122.609 121.223 0.102 0.000 2.453 34 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 34 L C 1.833 178.755 176.870 0.088 0.000 1.182 34 L CA 0.378 55.279 54.840 0.102 0.000 0.858 34 L CB 1.045 43.157 42.059 0.089 0.000 1.120 34 L HN 0.078 nan 8.230 nan 0.000 0.474 35 T N -3.744 110.885 114.554 0.124 0.000 2.987 35 T HA 0.084 4.434 4.350 -0.000 0.000 0.248 35 T C 0.829 175.584 174.700 0.091 0.000 0.997 35 T CA -0.085 62.084 62.100 0.115 0.000 1.013 35 T CB 0.256 69.218 68.868 0.156 0.000 1.077 35 T HN 0.469 nan 8.240 nan 0.000 0.483 36 D N 0.695 121.144 120.400 0.082 0.000 2.407 36 D HA 0.358 4.998 4.640 -0.000 0.000 0.208 36 D C 0.006 176.305 176.300 -0.001 0.000 1.083 36 D CA 0.070 54.105 54.000 0.058 0.000 0.844 36 D CB 0.748 41.595 40.800 0.078 0.000 0.967 36 D HN 0.381 nan 8.370 nan 0.000 0.506 37 I N 0.722 121.260 120.570 -0.054 0.000 2.686 37 I HA 0.202 4.372 4.170 -0.000 0.000 0.295 37 I C -0.043 176.013 176.117 -0.102 0.000 1.114 37 I CA -0.671 60.550 61.300 -0.131 0.000 1.038 37 I CB 1.975 39.837 38.000 -0.230 0.000 1.238 37 I HN -0.229 nan 8.210 nan 0.000 0.420 38 T N 2.126 116.610 114.554 -0.117 0.000 2.888 38 T HA 0.629 4.979 4.350 -0.000 0.000 0.284 38 T C -0.996 173.655 174.700 -0.082 0.000 1.017 38 T CA -0.701 61.345 62.100 -0.091 0.000 1.022 38 T CB 2.146 70.995 68.868 -0.032 0.000 1.013 38 T HN 0.553 nan 8.240 nan 0.000 0.465 39 Y N 1.982 122.059 120.300 -0.371 0.000 2.315 39 Y HA 0.431 4.981 4.550 0.000 0.000 0.324 39 Y C -1.125 174.508 175.900 -0.445 0.000 1.062 39 Y CA -1.022 56.851 58.100 -0.379 0.000 1.159 39 Y CB 1.103 39.260 38.460 -0.504 0.000 1.145 39 Y HN 0.904 nan 8.280 nan 0.000 0.442 40 H N 3.013 122.036 119.070 -0.079 0.000 2.731 40 H HA 0.599 5.155 4.556 -0.000 0.000 0.368 40 H C -1.096 174.284 175.328 0.087 0.000 1.168 40 H CA -1.071 54.958 56.048 -0.031 0.000 1.181 40 H CB 1.598 31.416 29.762 0.093 0.000 1.743 40 H HN 0.509 nan 8.280 nan 0.000 0.547 41 R N 0.686 121.387 120.500 0.334 0.000 2.494 41 R HA 0.271 4.611 4.340 -0.000 0.000 0.305 41 R C -1.255 175.312 176.300 0.444 0.000 0.959 41 R CA -0.873 55.422 56.100 0.325 0.000 0.864 41 R CB 0.145 30.497 30.300 0.087 0.000 1.159 41 R HN 0.773 nan 8.270 nan 0.000 0.446 42 H N 2.591 121.811 119.070 0.250 0.000 2.871 42 H HA 0.039 4.595 4.556 0.000 0.000 0.355 42 H C 1.292 176.533 175.328 -0.145 0.000 1.092 42 H CA 1.035 56.927 56.048 -0.261 0.000 1.420 42 H CB 1.159 30.669 29.762 -0.420 0.000 1.400 42 H HN 0.464 nan 8.280 nan 0.000 0.604 43 V N 1.007 120.416 119.914 -0.841 0.000 2.594 43 V HA -0.132 3.988 4.120 -0.000 0.000 0.253 43 V C 0.680 176.622 176.094 -0.253 0.000 1.069 43 V CA 2.143 64.170 62.300 -0.455 0.000 1.082 43 V CB -0.101 31.447 31.823 -0.458 0.000 0.680 43 V HN 0.765 nan 8.190 nan 0.000 0.469 44 D N -0.953 119.357 120.400 -0.150 0.000 3.099 44 D HA 0.157 4.797 4.640 -0.000 0.000 0.291 44 D C 0.392 176.789 176.300 0.161 0.000 1.209 44 D CA 0.254 54.298 54.000 0.073 0.000 1.032 44 D CB -0.059 40.788 40.800 0.079 0.000 1.324 44 D HN 0.471 nan 8.370 nan 0.000 0.440 45 D N 0.440 121.026 120.400 0.310 0.000 2.360 45 D HA 0.312 4.952 4.640 -0.000 0.000 0.242 45 D C -0.135 176.213 176.300 0.079 0.000 1.184 45 D CA -0.198 53.839 54.000 0.061 0.000 0.930 45 D CB 0.982 41.679 40.800 -0.172 0.000 1.161 45 D HN 0.012 nan 8.370 nan 0.000 0.447 46 A N 1.999 124.847 122.820 0.047 0.000 3.077 46 A HA 0.366 4.686 4.320 -0.000 0.000 0.255 46 A C -0.271 177.366 177.584 0.090 0.000 1.728 46 A CA -0.104 51.974 52.037 0.068 0.000 1.383 46 A CB -0.577 18.451 19.000 0.046 0.000 1.097 46 A HN 0.365 nan 8.150 nan 0.000 0.634 47 T N 0.210 114.846 114.554 0.137 0.000 2.916 47 T HA 0.556 4.906 4.350 -0.000 0.000 0.298 47 T C -0.205 174.729 174.700 0.388 0.000 1.031 47 T CA -0.377 61.847 62.100 0.205 0.000 0.993 47 T CB 1.700 70.656 68.868 0.147 0.000 1.045 47 T HN 0.726 nan 8.240 nan 0.000 0.454 48 V N 0.684 120.819 119.914 0.368 0.000 3.019 48 V HA 0.818 4.938 4.120 -0.000 0.000 0.317 48 V C -0.435 175.807 176.094 0.247 0.000 1.094 48 V CA -1.376 61.166 62.300 0.403 0.000 1.000 48 V CB 1.976 34.007 31.823 0.346 0.000 1.060 48 V HN 0.878 nan 8.190 nan 0.000 0.443 49 R N 1.348 121.851 120.500 0.004 0.000 2.409 49 R HA 0.754 5.094 4.340 -0.000 0.000 0.313 49 R C -2.026 174.225 176.300 -0.083 0.000 0.953 49 R CA -0.432 55.493 56.100 -0.292 0.000 0.849 49 R CB 1.949 31.600 30.300 -1.082 0.000 1.171 49 R HN 0.748 nan 8.270 nan 0.000 0.458 50 V N 3.679 123.533 119.914 -0.101 0.000 2.409 50 V HA 0.756 4.876 4.120 -0.000 0.000 0.291 50 V C -0.453 175.524 176.094 -0.196 0.000 1.020 50 V CA -0.590 61.608 62.300 -0.171 0.000 0.848 50 V CB 1.356 33.020 31.823 -0.265 0.000 0.990 50 V HN 0.920 nan 8.190 nan 0.000 0.430 51 A N 4.208 126.896 122.820 -0.221 0.000 2.475 51 A HA 0.878 5.198 4.320 -0.000 0.000 0.301 51 A C -1.020 176.422 177.584 -0.236 0.000 1.059 51 A CA -0.550 51.377 52.037 -0.182 0.000 0.710 51 A CB 1.062 20.001 19.000 -0.102 0.000 1.288 51 A HN 0.544 nan 8.150 nan 0.000 0.408 52 F N 1.369 121.276 119.950 -0.073 0.000 2.529 52 F HA 0.234 4.761 4.527 -0.000 0.000 0.365 52 F C 1.209 176.965 175.800 -0.073 0.000 1.102 52 F CA 0.759 58.704 58.000 -0.092 0.000 1.271 52 F CB 0.787 39.703 39.000 -0.141 0.000 1.120 52 F HN 0.652 nan 8.300 nan 0.000 0.579 53 N N 2.738 121.498 118.700 0.100 0.000 2.598 53 N HA 0.239 4.979 4.740 -0.000 0.000 0.309 53 N C -0.800 174.733 175.510 0.038 0.000 1.645 53 N CA -0.207 52.864 53.050 0.035 0.000 0.936 53 N CB 0.084 38.567 38.487 -0.006 0.000 1.323 53 N HN 0.469 nan 8.380 nan 0.000 0.497 54 R N 0.184 120.713 120.500 0.048 0.000 2.701 54 R HA 0.251 4.591 4.340 -0.000 0.000 0.281 54 R C -2.013 174.271 176.300 -0.026 0.000 1.367 54 R CA -1.250 54.858 56.100 0.013 0.000 1.510 54 R CB 1.060 31.375 30.300 0.026 0.000 1.306 54 R HN 0.151 nan 8.270 nan 0.000 0.682 55 P HA -0.247 nan 4.420 nan 0.000 0.218 55 P C 1.256 178.500 177.300 -0.093 0.000 1.148 55 P CA 1.172 64.227 63.100 -0.076 0.000 0.822 55 P CB 0.246 31.882 31.700 -0.107 0.000 0.784 56 E N 0.373 120.526 120.200 -0.079 0.000 2.267 56 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 56 E C 1.101 177.650 176.600 -0.085 0.000 0.998 56 E CA 1.581 57.933 56.400 -0.080 0.000 0.830 56 E CB -0.943 28.720 29.700 -0.061 0.000 0.751 56 E HN 0.283 nan 8.360 nan 0.000 0.491 57 V N -1.951 117.911 119.914 -0.085 0.000 2.854 57 V HA 0.420 4.540 4.120 -0.000 0.000 0.366 57 V C 0.209 176.224 176.094 -0.131 0.000 1.322 57 V CA -0.702 61.536 62.300 -0.103 0.000 1.243 57 V CB -0.523 31.245 31.823 -0.092 0.000 1.337 57 V HN 0.042 nan 8.190 nan 0.000 0.585 58 R N 1.181 121.608 120.500 -0.123 0.000 3.525 58 R HA -0.210 4.130 4.340 -0.000 0.000 0.276 58 R C 0.314 176.521 176.300 -0.154 0.000 1.116 58 R CA 0.773 56.797 56.100 -0.126 0.000 0.745 58 R CB -2.247 27.948 30.300 -0.175 0.000 1.185 58 R HN 0.769 nan 8.270 nan 0.000 0.454 59 N N -1.883 116.737 118.700 -0.133 0.000 2.710 59 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 59 N C 0.184 175.496 175.510 -0.331 0.000 1.059 59 N CA 1.471 54.417 53.050 -0.172 0.000 0.720 59 N CB -0.697 37.685 38.487 -0.175 0.000 0.983 59 N HN 0.657 nan 8.380 nan 0.000 0.544 60 A N 0.172 122.832 122.820 -0.267 0.000 2.366 60 A HA 0.513 4.833 4.320 -0.000 0.000 0.249 60 A C 0.337 177.786 177.584 -0.224 0.000 1.084 60 A CA -0.272 51.546 52.037 -0.365 0.000 0.794 60 A CB 0.171 18.985 19.000 -0.309 0.000 1.034 60 A HN 0.306 nan 8.150 nan 0.000 0.491 61 F N 0.048 119.903 119.950 -0.158 0.000 2.469 61 F HA 0.757 5.284 4.527 -0.000 0.000 0.332 61 F C 0.255 176.048 175.800 -0.013 0.000 1.103 61 F CA -1.280 56.693 58.000 -0.045 0.000 0.979 61 F CB 1.113 40.122 39.000 0.014 0.000 1.137 61 F HN 0.759 nan 8.300 nan 0.000 0.463 62 R N 2.324 122.984 120.500 0.267 0.000 2.782 62 R HA 0.621 4.961 4.340 -0.000 0.000 0.258 62 R C -2.525 173.909 176.300 0.224 0.000 1.055 62 R CA -1.844 54.374 56.100 0.197 0.000 1.065 62 R CB 0.507 30.884 30.300 0.128 0.000 1.172 62 R HN 0.279 nan 8.270 nan 0.000 0.510 63 P HA -0.261 nan 4.420 nan 0.000 0.218 63 P C 0.847 178.238 177.300 0.151 0.000 1.154 63 P CA 1.685 64.883 63.100 0.163 0.000 0.872 63 P CB -0.089 31.697 31.700 0.142 0.000 0.790 64 H N -0.987 118.130 119.070 0.078 0.000 2.387 64 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 64 H C 1.520 176.877 175.328 0.049 0.000 1.090 64 H CA 2.169 58.253 56.048 0.059 0.000 1.332 64 H CB -0.802 28.989 29.762 0.048 0.000 1.386 64 H HN -0.012 nan 8.280 nan 0.000 0.516 65 T N -0.328 114.211 114.554 -0.025 0.000 2.746 65 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 65 T C 2.251 176.872 174.700 -0.132 0.000 1.039 65 T CA 1.444 63.514 62.100 -0.051 0.000 1.142 65 T CB -0.555 68.421 68.868 0.180 0.000 0.866 65 T HN 0.163 nan 8.240 nan 0.000 0.444 66 V N 2.117 121.951 119.914 -0.133 0.000 2.407 66 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 66 V C 2.412 178.284 176.094 -0.371 0.000 1.055 66 V CA 1.602 63.718 62.300 -0.306 0.000 1.049 66 V CB -0.612 31.001 31.823 -0.350 0.000 0.662 66 V HN 0.392 nan 8.190 nan 0.000 0.455 67 D N 0.169 120.427 120.400 -0.238 0.000 2.092 67 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 67 D C 2.265 178.502 176.300 -0.104 0.000 0.994 67 D CA 1.512 55.449 54.000 -0.106 0.000 0.828 67 D CB -0.155 40.653 40.800 0.013 0.000 0.963 67 D HN 0.567 nan 8.370 nan 0.000 0.450 68 E N -0.002 120.068 120.200 -0.217 0.000 2.072 68 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 68 E C 2.128 178.617 176.600 -0.186 0.000 0.985 68 E CA 0.211 56.504 56.400 -0.178 0.000 0.801 68 E CB -0.079 29.467 29.700 -0.257 0.000 0.750 68 E HN 0.096 nan 8.360 nan 0.000 0.452 69 L N 0.511 121.588 121.223 -0.243 0.000 2.012 69 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 69 L C 2.248 178.969 176.870 -0.248 0.000 1.073 69 L CA 1.745 56.401 54.840 -0.306 0.000 0.748 69 L CB -0.719 41.139 42.059 -0.335 0.000 0.891 69 L HN 0.120 nan 8.230 nan 0.000 0.431 70 Y N 0.427 120.555 120.300 -0.286 0.000 2.145 70 Y HA -0.287 4.263 4.550 -0.000 0.000 0.286 70 Y C 2.939 178.769 175.900 -0.117 0.000 1.145 70 Y CA 2.322 60.301 58.100 -0.203 0.000 1.148 70 Y CB -0.263 38.076 38.460 -0.201 0.000 0.981 70 Y HN 0.260 nan 8.280 nan 0.000 0.507 71 R N -0.376 120.200 120.500 0.127 0.000 2.091 71 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 71 R C 2.008 178.315 176.300 0.011 0.000 1.136 71 R CA 2.061 58.250 56.100 0.148 0.000 0.959 71 R CB -0.763 29.656 30.300 0.199 0.000 0.856 71 R HN 0.319 nan 8.270 nan 0.000 0.437 72 V N 1.231 121.005 119.914 -0.232 0.000 2.261 72 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 72 V C 2.382 178.102 176.094 -0.624 0.000 1.047 72 V CA 1.865 63.740 62.300 -0.707 0.000 1.015 72 V CB -0.374 30.887 31.823 -0.936 0.000 0.642 72 V HN 0.360 nan 8.190 nan 0.000 0.446 73 L N -0.097 120.847 121.223 -0.465 0.000 2.131 73 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 73 L C 2.315 179.020 176.870 -0.276 0.000 1.092 73 L CA 1.796 56.419 54.840 -0.363 0.000 0.759 73 L CB -0.593 41.254 42.059 -0.353 0.000 0.903 73 L HN 0.408 nan 8.230 nan 0.000 0.435 74 D N -0.863 119.354 120.400 -0.305 0.000 2.144 74 D HA -0.249 4.391 4.640 -0.000 0.000 0.200 74 D C 2.200 178.482 176.300 -0.030 0.000 0.978 74 D CA 1.037 54.909 54.000 -0.213 0.000 0.833 74 D CB 0.042 40.716 40.800 -0.210 0.000 0.961 74 D HN 0.277 nan 8.370 nan 0.000 0.470 75 H N -0.096 118.948 119.070 -0.044 0.000 2.357 75 H HA 0.017 4.573 4.556 -0.000 0.000 0.301 75 H C 1.793 177.171 175.328 0.083 0.000 1.082 75 H CA 1.622 57.726 56.048 0.094 0.000 1.342 75 H CB -0.072 29.847 29.762 0.262 0.000 1.389 75 H HN 0.187 nan 8.280 nan 0.000 0.511 76 A N 1.694 124.593 122.820 0.130 0.000 1.902 76 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 76 A C 2.616 180.207 177.584 0.010 0.000 1.181 76 A CA 1.502 53.615 52.037 0.127 0.000 0.623 76 A CB -0.708 18.338 19.000 0.076 0.000 0.818 76 A HN 0.496 nan 8.150 nan 0.000 0.443 77 R N -0.645 119.836 120.500 -0.032 0.000 2.091 77 R HA -0.071 4.269 4.340 -0.000 0.000 0.238 77 R C 1.562 177.846 176.300 -0.026 0.000 1.136 77 R CA 1.972 58.056 56.100 -0.025 0.000 0.959 77 R CB -0.280 29.997 30.300 -0.038 0.000 0.856 77 R HN 0.519 nan 8.270 nan 0.000 0.437 78 M N 0.593 120.156 119.600 -0.062 0.000 2.563 78 M HA 0.101 4.581 4.480 -0.000 0.000 0.231 78 M C -0.226 176.009 176.300 -0.107 0.000 1.136 78 M CA 0.102 55.359 55.300 -0.072 0.000 1.026 78 M CB 0.929 33.488 32.600 -0.069 0.000 1.597 78 M HN -0.071 nan 8.290 nan 0.000 0.495 79 S N 1.762 117.398 115.700 -0.107 0.000 2.409 79 S HA 0.200 4.670 4.470 -0.000 0.000 0.308 79 S C -1.678 172.912 174.600 -0.018 0.000 1.080 79 S CA -1.102 57.050 58.200 -0.080 0.000 1.081 79 S CB 0.689 63.863 63.200 -0.043 0.000 1.009 79 S HN 0.089 nan 8.310 nan 0.000 0.502 80 P HA -0.150 nan 4.420 nan 0.000 0.218 80 P C 0.846 178.153 177.300 0.012 0.000 1.146 80 P CA 1.020 64.120 63.100 0.001 0.000 0.813 80 P CB 0.054 31.754 31.700 -0.000 0.000 0.778 81 D N -1.829 118.584 120.400 0.020 0.000 2.340 81 D HA 0.023 4.663 4.640 -0.000 0.000 0.217 81 D C -0.065 176.261 176.300 0.044 0.000 1.081 81 D CA 0.068 54.086 54.000 0.031 0.000 0.842 81 D CB -0.136 40.685 40.800 0.034 0.000 0.934 81 D HN -0.005 nan 8.370 nan 0.000 0.511 82 V N 0.780 120.722 119.914 0.047 0.000 2.384 82 V HA 0.580 4.700 4.120 -0.000 0.000 0.287 82 V C 1.167 177.291 176.094 0.050 0.000 1.020 82 V CA -0.405 61.935 62.300 0.066 0.000 0.850 82 V CB 1.631 33.510 31.823 0.093 0.000 0.987 82 V HN 0.236 nan 8.190 nan 0.000 0.436 83 G N 3.641 112.470 108.800 0.049 0.000 2.850 83 G HA2 0.330 4.290 3.960 -0.000 0.000 0.211 83 G HA3 0.330 4.290 3.960 -0.000 0.000 0.211 83 G C 0.103 175.027 174.900 0.041 0.000 1.124 83 G CA 0.215 45.336 45.100 0.034 0.000 0.769 83 G HN 0.499 nan 8.290 nan 0.000 0.535 84 V N 0.690 120.642 119.914 0.063 0.000 2.760 84 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 84 V C -0.940 175.211 176.094 0.096 0.000 1.077 84 V CA -0.766 61.577 62.300 0.073 0.000 0.910 84 V CB 2.383 34.254 31.823 0.081 0.000 1.008 84 V HN -0.109 nan 8.190 nan 0.000 0.424 85 V N 5.400 125.358 119.914 0.074 0.000 2.409 85 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 85 V C -0.361 175.766 176.094 0.056 0.000 1.020 85 V CA -0.495 61.847 62.300 0.069 0.000 0.848 85 V CB 1.723 33.559 31.823 0.022 0.000 0.990 85 V HN 0.639 nan 8.190 nan 0.000 0.430 86 L N 5.779 127.041 121.223 0.066 0.000 2.257 86 L HA 0.515 4.855 4.340 -0.000 0.000 0.290 86 L C -0.621 176.245 176.870 -0.006 0.000 1.044 86 L CA -0.527 54.335 54.840 0.036 0.000 0.810 86 L CB 1.421 43.521 42.059 0.068 0.000 1.193 86 L HN 0.454 nan 8.230 nan 0.000 0.425 87 L N 4.052 125.275 121.223 0.001 0.000 2.280 87 L HA 0.653 4.993 4.340 -0.000 0.000 0.287 87 L C -0.130 176.827 176.870 0.144 0.000 1.023 87 L CA 0.648 55.518 54.840 0.050 0.000 0.819 87 L CB 1.558 43.667 42.059 0.082 0.000 1.212 87 L HN 0.619 nan 8.230 nan 0.000 0.420 88 T N 2.452 117.148 114.554 0.237 0.000 2.618 88 T HA 0.851 5.201 4.350 -0.000 0.000 0.286 88 T C -0.868 174.153 174.700 0.535 0.000 1.027 88 T CA -0.189 62.146 62.100 0.393 0.000 1.063 88 T CB 1.365 70.314 68.868 0.136 0.000 1.440 88 T HN 0.762 nan 8.240 nan 0.000 0.505 89 G N 1.545 110.634 108.800 0.482 0.000 2.617 89 G HA2 0.559 4.519 3.960 -0.000 0.000 0.306 89 G HA3 0.559 4.519 3.960 -0.000 0.000 0.306 89 G C -1.056 173.978 174.900 0.224 0.000 1.360 89 G CA -0.591 44.718 45.100 0.349 0.000 0.983 89 G HN 0.633 nan 8.290 nan 0.000 0.496 90 N N -0.192 118.580 118.700 0.120 0.000 2.483 90 N HA 0.704 5.444 4.740 -0.000 0.000 0.269 90 N C 0.477 176.036 175.510 0.082 0.000 1.209 90 N CA 0.432 53.517 53.050 0.058 0.000 0.969 90 N CB 1.911 40.361 38.487 -0.062 0.000 1.173 90 N HN 0.907 nan 8.380 nan 0.000 0.475 91 G N -0.203 108.630 108.800 0.054 0.000 2.489 91 G HA2 0.407 4.367 3.960 -0.000 0.000 0.305 91 G HA3 0.407 4.367 3.960 -0.000 0.000 0.305 91 G C -3.058 171.511 174.900 -0.551 0.000 1.311 91 G CA -0.578 44.361 45.100 -0.267 0.000 0.813 91 G HN 0.354 nan 8.290 nan 0.000 0.480 92 P HA 0.397 nan 4.420 nan 0.000 0.293 92 P C -0.007 176.958 177.300 -0.558 0.000 1.304 92 P CA -0.208 62.141 63.100 -1.251 0.000 0.767 92 P CB 1.280 32.071 31.700 -1.516 0.000 1.247 93 S N -0.097 115.337 115.700 -0.443 0.000 2.510 93 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 93 S C -1.607 172.863 174.600 -0.216 0.000 1.284 93 S CA -1.104 56.945 58.200 -0.252 0.000 1.059 93 S CB -0.332 62.753 63.200 -0.192 0.000 0.901 93 S HN 0.173 nan 8.310 nan 0.000 0.491 94 P HA -0.008 nan 4.420 nan 0.000 0.226 94 P C 0.606 177.846 177.300 -0.100 0.000 1.153 94 P CA 0.952 63.980 63.100 -0.119 0.000 0.777 94 P CB 0.141 31.789 31.700 -0.088 0.000 0.794 95 K N -0.213 120.127 120.400 -0.101 0.000 2.076 95 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 95 K C 0.923 177.474 176.600 -0.081 0.000 1.051 95 K CA 1.548 57.785 56.287 -0.082 0.000 0.949 95 K CB -0.256 32.197 32.500 -0.078 0.000 0.726 95 K HN 0.255 nan 8.250 nan 0.000 0.443 96 D N -1.756 118.584 120.400 -0.100 0.000 2.562 96 D HA 0.100 4.740 4.640 -0.000 0.000 0.246 96 D C 0.883 177.118 176.300 -0.109 0.000 1.347 96 D CA 0.307 54.255 54.000 -0.086 0.000 0.800 96 D CB 0.426 41.186 40.800 -0.066 0.000 1.111 96 D HN 0.228 nan 8.370 nan 0.000 0.508 97 G N 0.146 108.843 108.800 -0.172 0.000 2.196 97 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.268 97 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.268 97 G C 0.751 175.443 174.900 -0.346 0.000 0.975 97 G CA 0.309 45.261 45.100 -0.247 0.000 0.648 97 G HN 0.807 nan 8.290 nan 0.000 0.538 98 G N -1.484 107.166 108.800 -0.250 0.000 2.634 98 G HA2 0.433 4.393 3.960 -0.000 0.000 0.255 98 G HA3 0.433 4.393 3.960 -0.000 0.000 0.255 98 G C -0.304 174.399 174.900 -0.328 0.000 1.205 98 G CA -0.384 44.618 45.100 -0.164 0.000 0.884 98 G HN 0.372 nan 8.290 nan 0.000 0.549 99 W N -0.967 120.289 121.300 -0.073 0.000 2.736 99 W HA 0.647 5.307 4.660 -0.000 0.000 0.335 99 W C 0.002 176.599 176.519 0.132 0.000 1.059 99 W CA -0.365 56.959 57.345 -0.035 0.000 1.226 99 W CB 2.522 31.875 29.460 -0.178 0.000 1.416 99 W HN 0.755 nan 8.180 nan 0.000 0.505 100 A N 2.658 125.707 122.820 0.382 0.000 2.517 100 A HA 0.493 4.813 4.320 -0.000 0.000 0.297 100 A C -0.785 176.961 177.584 0.270 0.000 1.050 100 A CA -0.610 51.613 52.037 0.309 0.000 0.694 100 A CB 0.707 19.825 19.000 0.196 0.000 1.277 100 A HN 0.733 nan 8.150 nan 0.000 0.400 101 F N 1.994 122.010 119.950 0.110 0.000 2.123 101 F HA 0.395 4.922 4.527 -0.000 0.000 0.289 101 F C 0.654 176.468 175.800 0.022 0.000 1.099 101 F CA 0.563 58.620 58.000 0.096 0.000 1.234 101 F CB 0.052 39.070 39.000 0.029 0.000 1.034 101 F HN 0.961 nan 8.300 nan 0.000 0.479 102 C N 1.246 120.227 119.300 -0.533 0.000 3.094 102 C HA 0.435 4.895 4.460 -0.000 0.000 0.414 102 C C 0.545 175.313 174.990 -0.370 0.000 0.993 102 C CA -0.177 58.335 59.018 -0.844 0.000 1.217 102 C CB 0.150 26.918 27.740 -1.620 0.000 1.603 102 C HN 0.587 nan 8.230 nan 0.000 0.564 103 S N 3.746 119.239 115.700 -0.345 0.000 2.597 103 S HA 0.583 5.053 4.470 -0.000 0.000 0.224 103 S C 0.932 175.348 174.600 -0.307 0.000 0.955 103 S CA 0.941 59.002 58.200 -0.230 0.000 0.933 103 S CB -0.141 62.918 63.200 -0.235 0.000 0.788 103 S HN 2.692 nan 8.310 nan 0.000 0.488 104 G N 0.394 108.929 108.800 -0.442 0.000 2.587 104 G HA2 0.191 4.151 3.960 -0.000 0.000 0.212 104 G HA3 0.191 4.151 3.960 -0.000 0.000 0.212 104 G C 0.071 174.139 174.900 -1.388 0.000 1.327 104 G CA -0.610 44.110 45.100 -0.634 0.000 0.898 104 G HN 1.130 nan 8.290 nan 0.000 0.551 105 G N -0.415 107.643 108.800 -1.236 0.000 2.441 105 G HA2 0.440 4.400 3.960 -0.000 0.000 0.243 105 G HA3 0.440 4.400 3.960 -0.000 0.000 0.243 105 G C -0.056 174.530 174.900 -0.524 0.000 1.281 105 G CA 0.615 45.091 45.100 -1.040 0.000 0.854 105 G HN 0.678 nan 8.290 nan 0.000 0.560 106 D N 0.842 121.031 120.400 -0.351 0.000 2.346 106 D HA 0.129 4.769 4.640 -0.000 0.000 0.260 106 D C 0.767 176.990 176.300 -0.127 0.000 1.252 106 D CA 0.099 53.983 54.000 -0.193 0.000 0.895 106 D CB 0.980 41.720 40.800 -0.099 0.000 1.097 106 D HN 0.271 nan 8.370 nan 0.000 0.489 130 R N -0.094 120.400 120.500 -0.009 0.000 3.298 130 R HA 0.483 4.823 4.340 -0.000 0.000 0.249 130 R C 0.767 177.060 176.300 -0.013 0.000 1.563 130 R CA 0.629 56.719 56.100 -0.017 0.000 1.378 130 R CB -0.095 30.188 30.300 -0.029 0.000 1.250 130 R HN 0.537 nan 8.270 nan 0.000 0.580 131 A N 0.370 123.189 122.820 -0.001 0.000 2.251 131 A HA 0.188 4.508 4.320 -0.000 0.000 0.209 131 A C 1.476 179.070 177.584 0.016 0.000 1.187 131 A CA 0.256 52.300 52.037 0.011 0.000 0.823 131 A CB 0.177 19.185 19.000 0.014 0.000 0.846 131 A HN 0.524 nan 8.150 nan 0.000 0.486 132 G N -0.215 108.589 108.800 0.007 0.000 4.125 132 G HA2 0.324 4.284 3.960 -0.000 0.000 0.301 132 G HA3 0.324 4.284 3.960 -0.000 0.000 0.301 132 G C 0.266 175.169 174.900 0.005 0.000 1.273 132 G CA -0.515 44.591 45.100 0.010 0.000 1.095 132 G HN 0.393 nan 8.290 nan 0.000 0.582 133 R N 0.905 121.405 120.500 0.001 0.000 2.267 133 R HA 0.194 4.534 4.340 -0.000 0.000 0.319 133 R C 0.003 176.316 176.300 0.023 0.000 1.067 133 R CA -0.765 55.322 56.100 -0.021 0.000 0.936 133 R CB 0.366 30.616 30.300 -0.083 0.000 1.006 133 R HN -0.008 nan 8.270 nan 0.000 0.452 134 L N 6.088 127.323 121.223 0.019 0.000 2.511 134 L HA -0.001 4.339 4.340 -0.000 0.000 0.239 134 L C 1.279 178.201 176.870 0.086 0.000 1.400 134 L CA 0.816 55.685 54.840 0.050 0.000 1.226 134 L CB -1.266 40.814 42.059 0.036 0.000 1.475 134 L HN 0.845 nan 8.230 nan 0.000 0.428 135 H N 0.167 119.220 119.070 -0.029 0.000 2.357 135 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 135 H C 2.067 177.360 175.328 -0.059 0.000 1.082 135 H CA 0.859 56.870 56.048 -0.062 0.000 1.342 135 H CB 0.718 30.435 29.762 -0.075 0.000 1.389 135 H HN 0.423 nan 8.280 nan 0.000 0.511 136 I N 0.966 121.543 120.570 0.010 0.000 2.423 136 I HA -0.252 3.918 4.170 -0.000 0.000 0.254 136 I C 1.841 177.946 176.117 -0.021 0.000 1.151 136 I CA 1.052 62.279 61.300 -0.122 0.000 1.421 136 I CB -0.228 37.652 38.000 -0.199 0.000 1.079 136 I HN 0.297 nan 8.210 nan 0.000 0.431 137 L N -0.310 120.939 121.223 0.044 0.000 2.093 137 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 137 L C 2.354 179.256 176.870 0.052 0.000 1.085 137 L CA 1.362 56.239 54.840 0.061 0.000 0.755 137 L CB -0.767 41.339 42.059 0.078 0.000 0.904 137 L HN 0.279 nan 8.230 nan 0.000 0.435 138 E N -0.310 119.949 120.200 0.099 0.000 2.110 138 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 138 E C 2.292 178.995 176.600 0.172 0.000 0.988 138 E CA 1.049 57.546 56.400 0.162 0.000 0.804 138 E CB -0.029 29.806 29.700 0.225 0.000 0.745 138 E HN 0.260 nan 8.360 nan 0.000 0.458 139 V N 1.422 121.399 119.914 0.104 0.000 2.358 139 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 139 V C 2.244 178.272 176.094 -0.109 0.000 1.047 139 V CA 1.753 64.050 62.300 -0.005 0.000 1.035 139 V CB -0.431 31.334 31.823 -0.098 0.000 0.658 139 V HN 0.265 nan 8.190 nan 0.000 0.452 140 Q N -0.425 119.310 119.800 -0.108 0.000 2.061 140 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 140 Q C 2.502 178.269 176.000 -0.388 0.000 0.984 140 Q CA 1.623 57.309 55.803 -0.194 0.000 0.846 140 Q CB -0.251 28.422 28.738 -0.110 0.000 0.902 140 Q HN 0.565 nan 8.270 nan 0.000 0.421 141 R N 0.152 120.415 120.500 -0.395 0.000 2.120 141 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 141 R C 2.271 178.124 176.300 -0.745 0.000 1.123 141 R CA 0.804 56.422 56.100 -0.803 0.000 0.975 141 R CB -0.335 29.643 30.300 -0.536 0.000 0.866 141 R HN 0.181 nan 8.270 nan 0.000 0.446 142 L N 1.098 122.126 121.223 -0.324 0.000 2.056 142 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 142 L C 1.999 178.749 176.870 -0.200 0.000 1.078 142 L CA 1.590 56.302 54.840 -0.213 0.000 0.749 142 L CB -0.237 41.657 42.059 -0.276 0.000 0.901 142 L HN 0.086 nan 8.230 nan 0.000 0.433 143 I N -0.999 119.431 120.570 -0.233 0.000 2.252 143 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 143 I C 2.602 178.615 176.117 -0.173 0.000 1.102 143 I CA 1.019 62.214 61.300 -0.175 0.000 1.385 143 I CB -0.240 37.662 38.000 -0.163 0.000 1.064 143 I HN 0.250 nan 8.210 nan 0.000 0.414 144 R N 0.973 121.272 120.500 -0.336 0.000 2.092 144 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 144 R C 1.741 178.114 176.300 0.122 0.000 1.119 144 R CA 1.891 57.807 56.100 -0.305 0.000 0.970 144 R CB -0.348 29.512 30.300 -0.734 0.000 0.864 144 R HN 0.185 nan 8.270 nan 0.000 0.440 145 F N 0.435 120.409 119.950 0.039 0.000 2.698 145 F HA 0.257 4.784 4.527 -0.000 0.000 0.295 145 F C 0.877 176.821 175.800 0.239 0.000 1.124 145 F CA -0.344 57.754 58.000 0.164 0.000 1.426 145 F CB -0.945 38.095 39.000 0.066 0.000 1.120 145 F HN 0.031 nan 8.300 nan 0.000 0.583 146 M N 3.030 122.788 119.600 0.264 0.000 2.248 146 M HA 0.207 4.687 4.480 -0.000 0.000 0.345 146 M C -2.064 174.332 176.300 0.160 0.000 1.243 146 M CA -1.247 54.162 55.300 0.181 0.000 1.090 146 M CB 0.298 32.928 32.600 0.050 0.000 1.683 146 M HN -0.210 nan 8.290 nan 0.000 0.450 147 P HA 0.172 nan 4.420 nan 0.000 0.237 147 P C -1.317 175.942 177.300 -0.069 0.000 1.723 147 P CA 0.313 63.397 63.100 -0.026 0.000 0.882 147 P CB -0.319 31.456 31.700 0.125 0.000 1.810 148 K N -0.789 119.578 120.400 -0.056 0.000 2.532 148 K HA 0.448 4.768 4.320 -0.000 0.000 0.265 148 K C -0.850 175.734 176.600 -0.027 0.000 0.948 148 K CA -1.120 55.149 56.287 -0.030 0.000 0.842 148 K CB 2.348 34.849 32.500 0.002 0.000 1.392 148 K HN -0.279 nan 8.250 nan 0.000 0.436 149 V N 2.242 122.154 119.914 -0.004 0.000 2.488 149 V HA 0.162 4.282 4.120 -0.000 0.000 0.277 149 V C -0.308 175.800 176.094 0.024 0.000 1.046 149 V CA -0.608 61.701 62.300 0.014 0.000 0.986 149 V CB 1.155 33.001 31.823 0.038 0.000 0.989 149 V HN 0.426 nan 8.190 nan 0.000 0.475 150 V N 7.038 126.961 119.914 0.015 0.000 2.347 150 V HA 0.457 4.577 4.120 -0.000 0.000 0.280 150 V C -0.024 176.081 176.094 0.018 0.000 1.021 150 V CA -0.340 61.966 62.300 0.010 0.000 0.847 150 V CB 1.343 33.158 31.823 -0.013 0.000 0.990 150 V HN 0.643 nan 8.190 nan 0.000 0.444 151 I N 4.421 125.003 120.570 0.020 0.000 2.339 151 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 151 I C 0.108 176.200 176.117 -0.041 0.000 0.994 151 I CA -0.215 61.084 61.300 -0.000 0.000 1.191 151 I CB 1.473 39.479 38.000 0.010 0.000 1.343 151 I HN 0.609 nan 8.210 nan 0.000 0.458 152 C N 8.019 127.276 119.300 -0.072 0.000 2.369 152 C HA 0.498 4.958 4.460 -0.000 0.000 0.358 152 C C 0.137 174.984 174.990 -0.238 0.000 1.274 152 C CA -0.516 58.403 59.018 -0.166 0.000 1.935 152 C CB -0.469 27.167 27.740 -0.174 0.000 2.431 152 C HN 0.662 nan 8.230 nan 0.000 0.545 153 L N 7.363 128.420 121.223 -0.276 0.000 2.313 153 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 153 L C -0.220 176.465 176.870 -0.308 0.000 1.028 153 L CA -0.442 54.256 54.840 -0.236 0.000 0.871 153 L CB 1.055 43.037 42.059 -0.128 0.000 1.242 153 L HN 0.433 nan 8.230 nan 0.000 0.434 154 V N 3.722 123.425 119.914 -0.352 0.000 2.370 154 V HA 0.008 4.128 4.120 -0.000 0.000 0.257 154 V C 1.251 177.257 176.094 -0.146 0.000 1.064 154 V CA -0.297 61.792 62.300 -0.353 0.000 0.975 154 V CB 0.198 31.727 31.823 -0.489 0.000 1.067 154 V HN 0.821 nan 8.190 nan 0.000 0.485 155 N N 3.755 122.460 118.700 0.009 0.000 2.353 155 N HA 0.154 4.894 4.740 -0.000 0.000 0.185 155 N C 0.575 176.209 175.510 0.205 0.000 1.098 155 N CA 0.791 53.892 53.050 0.086 0.000 0.872 155 N CB 1.556 40.121 38.487 0.130 0.000 0.970 155 N HN 0.621 nan 8.380 nan 0.000 0.467 156 G N -0.329 108.559 108.800 0.147 0.000 2.635 156 G HA2 0.278 4.238 3.960 -0.000 0.000 0.194 156 G HA3 0.278 4.238 3.960 -0.000 0.000 0.194 156 G C -1.859 173.027 174.900 -0.023 0.000 1.198 156 G CA -0.996 44.185 45.100 0.135 0.000 0.972 156 G HN 0.133 nan 8.290 nan 0.000 0.520 157 W N 1.288 122.615 121.300 0.045 0.000 2.223 157 W HA 0.481 5.141 4.660 -0.000 0.000 0.334 157 W C 0.504 177.011 176.519 -0.020 0.000 1.334 157 W CA 1.087 58.418 57.345 -0.023 0.000 1.246 157 W CB 0.838 30.287 29.460 -0.018 0.000 1.184 157 W HN 0.639 nan 8.180 nan 0.000 0.563 158 A N 3.259 126.178 122.820 0.165 0.000 2.646 158 A HA 0.798 5.118 4.320 -0.000 0.000 0.312 158 A C -0.735 177.033 177.584 0.306 0.000 1.245 158 A CA -0.485 51.681 52.037 0.216 0.000 0.755 158 A CB 0.121 19.104 19.000 -0.029 0.000 1.132 158 A HN 0.669 nan 8.150 nan 0.000 0.458 159 A N 1.145 124.109 122.820 0.241 0.000 2.380 159 A HA 0.927 5.247 4.320 -0.000 0.000 0.315 159 A C 1.007 178.659 177.584 0.113 0.000 1.101 159 A CA 0.204 52.351 52.037 0.183 0.000 0.771 159 A CB 0.664 19.729 19.000 0.109 0.000 1.287 159 A HN 2.590 nan 8.150 nan 0.000 0.436 160 G N 1.002 109.850 108.800 0.079 0.000 2.652 160 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.318 160 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.318 160 G C 1.448 176.454 174.900 0.177 0.000 1.295 160 G CA 1.244 46.386 45.100 0.069 0.000 0.999 160 G HN 2.147 nan 8.290 nan 0.000 0.548 161 G N 0.200 109.100 108.800 0.167 0.000 2.475 161 G HA2 0.105 4.065 3.960 -0.000 0.000 0.220 161 G HA3 0.105 4.065 3.960 -0.000 0.000 0.220 161 G C 1.894 177.017 174.900 0.372 0.000 1.125 161 G CA 2.096 47.403 45.100 0.346 0.000 0.755 161 G HN 1.789 nan 8.290 nan 0.000 0.565 162 G N -0.580 108.366 108.800 0.243 0.000 2.422 162 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 162 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 162 G C 1.594 176.750 174.900 0.427 0.000 1.146 162 G CA 1.196 46.415 45.100 0.198 0.000 0.769 162 G HN 0.545 nan 8.290 nan 0.000 0.547 163 H N 0.947 120.201 119.070 0.307 0.000 2.357 163 H HA -0.021 4.535 4.556 -0.000 0.000 0.301 163 H C 2.569 178.140 175.328 0.405 0.000 1.082 163 H CA 1.602 57.889 56.048 0.398 0.000 1.342 163 H CB -0.080 29.853 29.762 0.286 0.000 1.389 163 H HN 0.304 nan 8.280 nan 0.000 0.511 164 S N 0.704 116.650 115.700 0.410 0.000 2.399 164 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 164 S C 2.466 177.207 174.600 0.235 0.000 1.022 164 S CA 0.682 59.078 58.200 0.327 0.000 0.983 164 S CB -0.135 63.277 63.200 0.354 0.000 0.803 164 S HN 0.335 nan 8.310 nan 0.000 0.480 165 L N 0.763 122.164 121.223 0.296 0.000 2.093 165 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 165 L C 2.562 179.584 176.870 0.254 0.000 1.085 165 L CA 1.735 56.746 54.840 0.285 0.000 0.755 165 L CB -0.633 41.680 42.059 0.422 0.000 0.904 165 L HN 0.463 nan 8.230 nan 0.000 0.435 166 H N -0.477 118.716 119.070 0.206 0.000 2.321 166 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 166 H C 2.016 177.362 175.328 0.030 0.000 1.087 166 H CA 2.021 58.091 56.048 0.037 0.000 1.319 166 H CB -0.625 29.129 29.762 -0.014 0.000 1.379 166 H HN -0.008 nan 8.280 nan 0.000 0.501 167 V N 0.316 119.851 119.914 -0.632 0.000 2.332 167 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 167 V C 2.688 178.788 176.094 0.010 0.000 1.055 167 V CA 1.704 63.722 62.300 -0.468 0.000 1.038 167 V CB -0.806 30.932 31.823 -0.142 0.000 0.651 167 V HN 0.471 nan 8.190 nan 0.000 0.450 168 V N -0.776 119.181 119.914 0.072 0.000 2.970 168 V HA -0.099 4.021 4.120 -0.000 0.000 0.260 168 V C 1.367 177.453 176.094 -0.013 0.000 1.100 168 V CA 0.438 62.755 62.300 0.028 0.000 1.122 168 V CB -0.301 31.431 31.823 -0.151 0.000 0.721 168 V HN 0.650 nan 8.190 nan 0.000 0.483 169 C N 1.277 120.582 119.300 0.008 0.000 2.727 169 C HA 0.055 4.515 4.460 -0.000 0.000 0.401 169 C C 1.944 176.959 174.990 0.041 0.000 1.294 169 C CA -0.286 58.737 59.018 0.009 0.000 2.134 169 C CB 0.148 27.899 27.740 0.018 0.000 2.724 169 C HN 0.582 nan 8.230 nan 0.000 0.677 170 D N 0.355 120.773 120.400 0.031 0.000 2.144 170 D HA 0.015 4.655 4.640 -0.000 0.000 0.200 170 D C 0.285 176.607 176.300 0.037 0.000 0.978 170 D CA 1.412 55.437 54.000 0.042 0.000 0.833 170 D CB 0.174 40.992 40.800 0.031 0.000 0.961 170 D HN 0.450 nan 8.370 nan 0.000 0.470 171 L N -0.819 120.428 121.223 0.041 0.000 2.376 171 L HA 0.422 4.762 4.340 -0.000 0.000 0.258 171 L C -0.598 176.274 176.870 0.004 0.000 1.013 171 L CA -0.559 54.308 54.840 0.046 0.000 0.822 171 L CB 2.730 44.857 42.059 0.114 0.000 1.388 171 L HN -0.348 nan 8.230 nan 0.000 0.413 172 T N 2.217 116.754 114.554 -0.029 0.000 2.971 172 T HA 0.627 4.977 4.350 -0.000 0.000 0.304 172 T C -0.845 173.741 174.700 -0.189 0.000 1.038 172 T CA -0.438 61.630 62.100 -0.054 0.000 1.007 172 T CB 1.593 70.535 68.868 0.124 0.000 1.055 172 T HN 0.257 nan 8.240 nan 0.000 0.451 173 L N 2.365 123.428 121.223 -0.266 0.000 2.365 173 L HA 0.916 5.256 4.340 -0.000 0.000 0.273 173 L C -0.155 176.585 176.870 -0.217 0.000 1.000 173 L CA -1.039 53.592 54.840 -0.347 0.000 0.819 173 L CB 1.808 43.562 42.059 -0.507 0.000 1.284 173 L HN 0.749 nan 8.230 nan 0.000 0.418 174 A N 1.405 124.126 122.820 -0.164 0.000 2.435 174 A HA 0.620 4.940 4.320 -0.000 0.000 0.304 174 A C -0.497 177.029 177.584 -0.098 0.000 1.064 174 A CA -0.519 51.466 52.037 -0.087 0.000 0.727 174 A CB 1.932 20.987 19.000 0.092 0.000 1.284 174 A HN 0.558 nan 8.150 nan 0.000 0.415 175 S N 0.653 116.307 115.700 -0.076 0.000 2.488 175 S HA 0.102 4.572 4.470 -0.000 0.000 0.278 175 S C 1.365 175.915 174.600 -0.083 0.000 1.259 175 S CA -0.115 58.058 58.200 -0.045 0.000 1.061 175 S CB 0.097 63.364 63.200 0.113 0.000 0.910 175 S HN 0.779 nan 8.310 nan 0.000 0.491 176 R N 3.499 123.932 120.500 -0.113 0.000 2.083 176 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 176 R C 1.530 177.700 176.300 -0.216 0.000 1.137 176 R CA 2.376 58.393 56.100 -0.139 0.000 0.951 176 R CB -0.208 30.012 30.300 -0.133 0.000 0.851 176 R HN 0.747 nan 8.270 nan 0.000 0.434 177 E N -1.118 118.874 120.200 -0.346 0.000 2.072 177 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 177 E C 1.175 177.292 176.600 -0.805 0.000 0.982 177 E CA 1.348 57.355 56.400 -0.655 0.000 0.803 177 E CB 0.022 29.116 29.700 -1.010 0.000 0.755 177 E HN 0.473 nan 8.360 nan 0.000 0.453 178 Y N -0.477 119.669 120.300 -0.257 0.000 2.430 178 Y HA 0.478 5.028 4.550 -0.000 0.000 0.248 178 Y C 0.483 176.222 175.900 -0.270 0.000 1.108 178 Y CA -0.520 57.416 58.100 -0.274 0.000 1.264 178 Y CB 0.060 38.274 38.460 -0.410 0.000 1.172 178 Y HN -0.109 nan 8.280 nan 0.000 0.520 179 A N 1.867 124.614 122.820 -0.121 0.000 2.520 179 A HA 0.445 4.765 4.320 -0.000 0.000 0.245 179 A C 0.190 177.576 177.584 -0.330 0.000 1.072 179 A CA 0.003 51.902 52.037 -0.229 0.000 0.761 179 A CB 0.090 19.017 19.000 -0.121 0.000 1.004 179 A HN 0.163 nan 8.150 nan 0.000 0.499 180 R N 1.811 121.969 120.500 -0.570 0.000 2.502 180 R HA 0.385 4.725 4.340 -0.000 0.000 0.298 180 R C -1.926 174.129 176.300 -0.409 0.000 1.018 180 R CA -0.255 55.482 56.100 -0.606 0.000 0.899 180 R CB 1.155 30.538 30.300 -1.528 0.000 1.181 180 R HN 0.618 nan 8.270 nan 0.000 0.444 181 F N 1.897 121.838 119.950 -0.015 0.000 2.427 181 F HA 0.507 5.034 4.527 0.000 0.000 0.346 181 F C 0.639 176.571 175.800 0.221 0.000 1.120 181 F CA -0.497 57.621 58.000 0.197 0.000 1.033 181 F CB 1.645 40.786 39.000 0.235 0.000 1.126 181 F HN 0.087 nan 8.300 nan 0.000 0.462 182 K N 2.546 123.146 120.400 0.332 0.000 2.588 182 K HA 0.266 4.586 4.320 -0.000 0.000 0.250 182 K C -1.478 175.084 176.600 -0.063 0.000 0.972 182 K CA -0.825 55.566 56.287 0.173 0.000 0.821 182 K CB 1.456 34.138 32.500 0.304 0.000 1.249 182 K HN 0.481 nan 8.250 nan 0.000 0.442 183 Q N 2.627 122.261 119.800 -0.277 0.000 2.456 183 Q HA 0.157 4.497 4.340 -0.000 0.000 0.234 183 Q C 0.101 175.973 176.000 -0.214 0.000 1.061 183 Q CA 0.079 55.611 55.803 -0.452 0.000 0.896 183 Q CB 0.987 29.144 28.738 -0.968 0.000 1.233 183 Q HN 0.705 nan 8.270 nan 0.000 0.506 184 T N -0.445 114.048 114.554 -0.100 0.000 3.081 184 T HA 0.033 4.383 4.350 -0.000 0.000 0.250 184 T C 0.809 175.512 174.700 0.004 0.000 1.100 184 T CA 0.208 62.287 62.100 -0.036 0.000 1.038 184 T CB 0.146 68.993 68.868 -0.035 0.000 0.962 184 T HN 0.405 nan 8.240 nan 0.000 0.516 185 D N 2.844 123.258 120.400 0.024 0.000 2.230 185 D HA -0.215 4.425 4.640 -0.000 0.000 0.189 185 D C 2.407 178.789 176.300 0.137 0.000 1.006 185 D CA 2.073 56.135 54.000 0.103 0.000 0.853 185 D CB -0.722 40.201 40.800 0.204 0.000 0.959 185 D HN 0.544 nan 8.370 nan 0.000 0.449 186 A N 1.226 124.156 122.820 0.184 0.000 2.032 186 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 186 A C 1.763 179.421 177.584 0.122 0.000 1.165 186 A CA 2.036 54.187 52.037 0.190 0.000 0.645 186 A CB -0.435 18.696 19.000 0.218 0.000 0.807 186 A HN 0.163 nan 8.150 nan 0.000 0.453 187 D N -0.273 120.177 120.400 0.083 0.000 2.123 187 D HA -0.111 4.529 4.640 -0.000 0.000 0.196 187 D C 1.738 178.065 176.300 0.045 0.000 0.992 187 D CA 1.704 55.735 54.000 0.051 0.000 0.833 187 D CB -0.336 40.477 40.800 0.023 0.000 0.954 187 D HN 0.300 nan 8.370 nan 0.000 0.455 188 V N -0.346 119.594 119.914 0.044 0.000 3.623 188 V HA 0.175 4.295 4.120 -0.000 0.000 0.271 188 V C 1.598 177.729 176.094 0.060 0.000 1.248 188 V CA 0.788 63.108 62.300 0.034 0.000 1.156 188 V CB -0.096 31.735 31.823 0.013 0.000 0.870 188 V HN 0.397 nan 8.190 nan 0.000 0.453 189 G N 0.373 109.232 108.800 0.098 0.000 2.132 189 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.234 189 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.234 189 G C 0.237 175.249 174.900 0.186 0.000 0.989 189 G CA 0.484 45.666 45.100 0.136 0.000 0.676 189 G HN 0.608 nan 8.290 nan 0.000 0.522 190 S N -0.718 115.084 115.700 0.170 0.000 2.739 190 S HA 0.994 5.464 4.470 -0.000 0.000 0.306 190 S C -0.552 174.214 174.600 0.276 0.000 1.115 190 S CA 0.099 58.367 58.200 0.114 0.000 0.985 190 S CB 1.206 64.419 63.200 0.022 0.000 1.133 190 S HN 1.657 nan 8.310 nan 0.000 0.541 191 F N 0.132 120.166 119.950 0.141 0.000 2.704 191 F HA 0.451 4.978 4.527 0.000 0.000 0.312 191 F C -1.582 174.330 175.800 0.188 0.000 1.108 191 F CA -1.093 57.023 58.000 0.193 0.000 1.005 191 F CB 0.732 39.835 39.000 0.171 0.000 1.277 191 F HN 0.425 nan 8.300 nan 0.000 0.445 192 D N 2.145 122.785 120.400 0.401 0.000 2.443 192 D HA 0.342 4.982 4.640 -0.000 0.000 0.221 192 D C 0.605 177.086 176.300 0.302 0.000 1.097 192 D CA -0.067 54.109 54.000 0.292 0.000 0.865 192 D CB 1.552 42.558 40.800 0.342 0.000 1.034 192 D HN 0.965 nan 8.370 nan 0.000 0.511 193 G N 2.255 111.251 108.800 0.325 0.000 3.440 193 G HA2 0.361 4.321 3.960 -0.000 0.000 0.263 193 G HA3 0.361 4.321 3.960 -0.000 0.000 0.263 193 G C 0.662 175.609 174.900 0.078 0.000 1.236 193 G CA 0.120 45.349 45.100 0.215 0.000 0.927 193 G HN 0.514 nan 8.290 nan 0.000 0.530 194 G N -0.325 108.516 108.800 0.069 0.000 3.069 194 G HA2 0.264 4.224 3.960 -0.000 0.000 0.205 194 G HA3 0.264 4.224 3.960 -0.000 0.000 0.205 194 G C 0.685 175.557 174.900 -0.046 0.000 1.771 194 G CA -0.259 44.824 45.100 -0.028 0.000 0.739 194 G HN 0.124 nan 8.290 nan 0.000 0.784 195 Y N 1.467 121.823 120.300 0.094 0.000 2.352 195 Y HA 0.033 4.583 4.550 0.000 0.000 0.292 195 Y C 2.923 178.951 175.900 0.213 0.000 1.136 195 Y CA 1.045 59.221 58.100 0.128 0.000 1.227 195 Y CB -0.001 38.473 38.460 0.022 0.000 0.991 195 Y HN 0.372 nan 8.280 nan 0.000 0.545 196 G N -0.793 108.219 108.800 0.354 0.000 2.422 196 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 196 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 196 G C 1.714 176.893 174.900 0.466 0.000 1.146 196 G CA 1.422 46.785 45.100 0.438 0.000 0.769 196 G HN 0.484 nan 8.290 nan 0.000 0.547 197 S N 0.203 115.958 115.700 0.090 0.000 2.694 197 S HA 0.466 4.936 4.470 -0.000 0.000 0.225 197 S C 2.591 177.070 174.600 -0.202 0.000 1.012 197 S CA 1.100 59.038 58.200 -0.437 0.000 0.896 197 S CB -0.517 62.056 63.200 -1.045 0.000 0.838 197 S HN 0.485 nan 8.310 nan 0.000 0.604 198 A N 1.022 123.766 122.820 -0.126 0.000 1.883 198 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 198 A C 2.119 179.730 177.584 0.045 0.000 1.186 198 A CA 1.907 53.906 52.037 -0.064 0.000 0.624 198 A CB -1.440 17.521 19.000 -0.064 0.000 0.822 198 A HN 0.639 nan 8.150 nan 0.000 0.444 199 Y N -0.178 120.111 120.300 -0.018 0.000 2.421 199 Y HA -0.080 4.470 4.550 -0.000 0.000 0.292 199 Y C 1.918 177.854 175.900 0.060 0.000 1.136 199 Y CA 1.091 59.229 58.100 0.063 0.000 1.255 199 Y CB -0.247 38.345 38.460 0.221 0.000 0.991 199 Y HN 0.273 nan 8.280 nan 0.000 0.552 200 L N 0.470 121.701 121.223 0.013 0.000 2.093 200 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 200 L C 2.319 179.138 176.870 -0.084 0.000 1.085 200 L CA 2.062 56.882 54.840 -0.034 0.000 0.755 200 L CB -1.225 40.942 42.059 0.180 0.000 0.904 200 L HN 0.155 nan 8.230 nan 0.000 0.435 201 A N -0.755 122.027 122.820 -0.063 0.000 2.070 201 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 201 A C 2.055 179.591 177.584 -0.081 0.000 1.159 201 A CA 1.043 53.045 52.037 -0.058 0.000 0.656 201 A CB -0.499 18.467 19.000 -0.056 0.000 0.800 201 A HN 0.419 nan 8.150 nan 0.000 0.453 202 R N -0.442 119.971 120.500 -0.145 0.000 2.313 202 R HA 0.084 4.424 4.340 -0.000 0.000 0.199 202 R C 1.165 177.337 176.300 -0.215 0.000 0.958 202 R CA 0.726 56.732 56.100 -0.156 0.000 1.047 202 R CB -0.193 30.020 30.300 -0.144 0.000 0.955 202 R HN 0.773 nan 8.270 nan 0.000 0.481 203 Q N -0.883 118.782 119.800 -0.225 0.000 2.532 203 Q HA 0.053 4.393 4.340 -0.000 0.000 0.247 203 Q C 1.520 177.461 176.000 -0.097 0.000 0.872 203 Q CA 0.554 56.241 55.803 -0.194 0.000 0.963 203 Q CB 0.721 29.305 28.738 -0.257 0.000 1.159 203 Q HN 0.188 nan 8.270 nan 0.000 0.598 204 V N -3.114 116.769 119.914 -0.052 0.000 3.528 204 V HA 0.582 4.702 4.120 -0.000 0.000 0.294 204 V C 0.516 176.683 176.094 0.122 0.000 1.404 204 V CA 0.304 62.633 62.300 0.049 0.000 1.065 204 V CB 0.082 31.932 31.823 0.045 0.000 0.904 204 V HN 0.322 nan 8.190 nan 0.000 0.435 205 G N 0.474 109.288 108.800 0.023 0.000 2.730 205 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 205 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 205 G C -0.021 174.865 174.900 -0.023 0.000 1.343 205 G CA 0.160 45.253 45.100 -0.013 0.000 0.826 205 G HN 0.193 nan 8.290 nan 0.000 0.582 206 Q N -0.034 119.734 119.800 -0.053 0.000 2.084 206 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 206 Q C 2.710 178.677 176.000 -0.055 0.000 0.978 206 Q CA 1.787 57.559 55.803 -0.052 0.000 0.844 206 Q CB -0.194 28.517 28.738 -0.046 0.000 0.898 206 Q HN 0.636 nan 8.270 nan 0.000 0.426 207 K N 0.089 120.419 120.400 -0.118 0.000 1.985 207 K HA -0.087 4.233 4.320 -0.000 0.000 0.210 207 K C 2.141 178.714 176.600 -0.044 0.000 1.047 207 K CA 0.969 57.172 56.287 -0.140 0.000 0.932 207 K CB -0.523 31.782 32.500 -0.325 0.000 0.716 207 K HN 0.162 nan 8.250 nan 0.000 0.439 208 F N 1.248 121.185 119.950 -0.023 0.000 2.134 208 F HA -0.104 4.424 4.527 0.000 0.000 0.299 208 F C 2.550 178.323 175.800 -0.044 0.000 1.097 208 F CA 0.809 58.783 58.000 -0.043 0.000 1.264 208 F CB -1.232 37.719 39.000 -0.082 0.000 1.001 208 F HN 0.041 nan 8.300 nan 0.000 0.479 209 A N 0.150 123.059 122.820 0.148 0.000 1.902 209 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 209 A C 2.368 179.970 177.584 0.030 0.000 1.181 209 A CA 1.659 53.752 52.037 0.093 0.000 0.623 209 A CB -0.686 18.326 19.000 0.020 0.000 0.818 209 A HN 0.312 nan 8.150 nan 0.000 0.443 210 R N -0.680 119.770 120.500 -0.083 0.000 2.096 210 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 210 R C 2.324 178.521 176.300 -0.170 0.000 1.127 210 R CA 1.410 57.301 56.100 -0.349 0.000 0.968 210 R CB -0.287 29.925 30.300 -0.147 0.000 0.861 210 R HN 0.806 nan 8.270 nan 0.000 0.440 211 E N 1.183 121.447 120.200 0.107 0.000 2.051 211 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 211 E C 1.940 178.671 176.600 0.218 0.000 0.991 211 E CA 1.234 57.770 56.400 0.227 0.000 0.799 211 E CB -0.048 29.816 29.700 0.274 0.000 0.748 211 E HN 0.281 nan 8.360 nan 0.000 0.449 212 I N 0.083 120.748 120.570 0.158 0.000 2.163 212 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 212 I C 2.124 178.276 176.117 0.058 0.000 1.085 212 I CA 1.255 62.624 61.300 0.117 0.000 1.347 212 I CB -0.259 37.748 38.000 0.011 0.000 1.044 212 I HN 0.148 nan 8.210 nan 0.000 0.408 213 F N -0.319 119.597 119.950 -0.057 0.000 2.149 213 F HA -0.096 4.431 4.527 -0.000 0.000 0.294 213 F C 2.154 177.992 175.800 0.063 0.000 1.095 213 F CA 1.229 59.193 58.000 -0.060 0.000 1.276 213 F CB -0.513 38.371 39.000 -0.194 0.000 1.023 213 F HN -0.106 nan 8.300 nan 0.000 0.480 214 F N -0.243 119.866 119.950 0.264 0.000 2.134 214 F HA -0.151 4.376 4.527 0.000 0.000 0.299 214 F C 2.019 177.892 175.800 0.121 0.000 1.097 214 F CA 1.142 59.241 58.000 0.166 0.000 1.264 214 F CB -1.277 37.800 39.000 0.129 0.000 1.001 214 F HN -0.112 nan 8.300 nan 0.000 0.479 215 L N -1.004 120.405 121.223 0.310 0.000 2.416 215 L HA 0.293 4.633 4.340 -0.000 0.000 0.216 215 L C 1.813 178.763 176.870 0.133 0.000 1.098 215 L CA 0.868 55.825 54.840 0.195 0.000 0.840 215 L CB -1.027 41.139 42.059 0.179 0.000 0.981 215 L HN 0.262 nan 8.230 nan 0.000 0.462 216 G N 0.643 109.518 108.800 0.124 0.000 2.249 216 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.273 216 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.273 216 G C 0.525 175.456 174.900 0.051 0.000 1.036 216 G CA 0.196 45.330 45.100 0.057 0.000 0.824 216 G HN 0.305 nan 8.290 nan 0.000 0.504 217 R N -0.558 119.975 120.500 0.055 0.000 2.649 217 R HA 0.493 4.833 4.340 -0.000 0.000 0.270 217 R C 0.298 176.481 176.300 -0.195 0.000 1.105 217 R CA 0.107 56.135 56.100 -0.119 0.000 1.193 217 R CB 0.423 30.549 30.300 -0.289 0.000 1.120 217 R HN 0.172 nan 8.270 nan 0.000 0.561 218 T N 1.868 116.266 114.554 -0.260 0.000 2.799 218 T HA 0.362 4.712 4.350 -0.000 0.000 0.286 218 T C -0.976 173.500 174.700 -0.373 0.000 0.973 218 T CA -0.208 61.815 62.100 -0.129 0.000 1.035 218 T CB 0.296 69.181 68.868 0.029 0.000 0.932 218 T HN 0.260 nan 8.240 nan 0.000 0.469 219 Y N 0.871 121.210 120.300 0.066 0.000 2.524 219 Y HA 0.516 5.066 4.550 -0.000 0.000 0.344 219 Y C 1.171 177.120 175.900 0.082 0.000 1.012 219 Y CA -1.190 56.936 58.100 0.043 0.000 1.068 219 Y CB 1.406 39.871 38.460 0.008 0.000 1.249 219 Y HN 0.677 nan 8.280 nan 0.000 0.468 220 T N -1.978 112.681 114.554 0.174 0.000 2.824 220 T HA 0.528 4.878 4.350 -0.000 0.000 0.277 220 T C 1.242 176.032 174.700 0.150 0.000 0.975 220 T CA -0.165 61.998 62.100 0.105 0.000 0.966 220 T CB 1.293 70.167 68.868 0.011 0.000 1.054 220 T HN 0.778 nan 8.240 nan 0.000 0.533 221 A N 0.171 123.069 122.820 0.131 0.000 1.877 221 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 221 A C 2.275 179.852 177.584 -0.012 0.000 1.186 221 A CA 1.962 54.064 52.037 0.109 0.000 0.620 221 A CB -1.244 17.786 19.000 0.050 0.000 0.822 221 A HN 0.952 nan 8.150 nan 0.000 0.443 222 E N 0.250 120.443 120.200 -0.012 0.000 2.077 222 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 222 E C 2.142 178.743 176.600 0.002 0.000 0.989 222 E CA 1.970 58.372 56.400 0.002 0.000 0.800 222 E CB -0.396 29.297 29.700 -0.011 0.000 0.746 222 E HN 0.733 nan 8.360 nan 0.000 0.452 223 Q N -0.973 118.813 119.800 -0.022 0.000 2.084 223 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 223 Q C 2.064 177.950 176.000 -0.189 0.000 0.978 223 Q CA 1.562 57.329 55.803 -0.060 0.000 0.844 223 Q CB -0.197 28.574 28.738 0.054 0.000 0.898 223 Q HN 0.262 nan 8.270 nan 0.000 0.426 224 M N -0.178 119.277 119.600 -0.242 0.000 2.296 224 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 224 M C 1.826 177.955 176.300 -0.285 0.000 1.064 224 M CA 1.489 56.534 55.300 -0.426 0.000 1.109 224 M CB -0.394 31.697 32.600 -0.848 0.000 1.396 224 M HN 0.261 nan 8.290 nan 0.000 0.430 225 H N -1.094 117.824 119.070 -0.253 0.000 2.363 225 H HA -0.080 4.476 4.556 0.000 0.000 0.301 225 H C 1.517 176.757 175.328 -0.147 0.000 1.074 225 H CA 1.231 57.176 56.048 -0.172 0.000 1.354 225 H CB 0.393 30.084 29.762 -0.118 0.000 1.397 225 H HN 0.285 nan 8.280 nan 0.000 0.516 226 Q N 0.423 120.088 119.800 -0.225 0.000 2.124 226 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 226 Q C 2.425 178.257 176.000 -0.282 0.000 0.977 226 Q CA 1.177 56.829 55.803 -0.252 0.000 0.850 226 Q CB -0.185 28.460 28.738 -0.157 0.000 0.901 226 Q HN 0.598 nan 8.270 nan 0.000 0.429 227 M N -1.695 117.687 119.600 -0.363 0.000 2.419 227 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 227 M C 0.993 177.171 176.300 -0.204 0.000 1.082 227 M CA 1.180 56.232 55.300 -0.413 0.000 1.119 227 M CB 0.309 32.498 32.600 -0.684 0.000 1.398 227 M HN 0.402 nan 8.290 nan 0.000 0.453 228 G N -0.671 107.995 108.800 -0.224 0.000 2.175 228 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.182 228 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.182 228 G C 0.675 175.494 174.900 -0.135 0.000 1.003 228 G CA 0.136 45.139 45.100 -0.162 0.000 0.666 228 G HN 0.498 nan 8.290 nan 0.000 0.506 229 A N -0.664 122.063 122.820 -0.156 0.000 2.169 229 A HA 0.701 5.021 4.320 -0.000 0.000 0.210 229 A C 0.877 178.441 177.584 -0.033 0.000 1.168 229 A CA 1.195 53.170 52.037 -0.103 0.000 0.813 229 A CB 0.539 19.477 19.000 -0.104 0.000 0.861 229 A HN 0.977 nan 8.150 nan 0.000 0.481 230 V N 1.321 121.184 119.914 -0.084 0.000 2.409 230 V HA 0.141 4.261 4.120 -0.000 0.000 0.291 230 V C 0.393 176.554 176.094 0.111 0.000 1.020 230 V CA -0.528 61.753 62.300 -0.031 0.000 0.848 230 V CB 1.134 32.889 31.823 -0.114 0.000 0.990 230 V HN 0.495 nan 8.190 nan 0.000 0.430 231 N N 2.972 121.710 118.700 0.062 0.000 2.142 231 N HA 0.117 4.857 4.740 -0.000 0.000 0.186 231 N C 0.406 176.024 175.510 0.181 0.000 1.023 231 N CA 1.403 54.544 53.050 0.153 0.000 0.852 231 N CB 0.069 38.631 38.487 0.125 0.000 0.998 231 N HN 0.829 nan 8.380 nan 0.000 0.424 232 A N -0.793 121.960 122.820 -0.111 0.000 2.604 232 A HA 0.578 4.898 4.320 -0.000 0.000 0.295 232 A C -1.361 176.026 177.584 -0.328 0.000 1.067 232 A CA -0.669 51.203 52.037 -0.275 0.000 0.683 232 A CB 1.094 20.030 19.000 -0.107 0.000 1.281 232 A HN -0.124 nan 8.150 nan 0.000 0.407 233 V N 0.766 120.464 119.914 -0.360 0.000 2.539 233 V HA 0.793 4.913 4.120 -0.000 0.000 0.292 233 V C 0.570 176.552 176.094 -0.187 0.000 1.045 233 V CA 0.303 62.457 62.300 -0.244 0.000 0.945 233 V CB 1.298 32.983 31.823 -0.229 0.000 0.993 233 V HN 1.601 nan 8.190 nan 0.000 0.464 234 A N 3.073 125.799 122.820 -0.157 0.000 2.515 234 A HA 0.778 5.098 4.320 -0.000 0.000 0.296 234 A C -0.618 176.904 177.584 -0.104 0.000 1.094 234 A CA -0.768 51.194 52.037 -0.127 0.000 0.718 234 A CB 1.273 20.185 19.000 -0.146 0.000 1.307 234 A HN 0.664 nan 8.150 nan 0.000 0.408 235 E N 0.707 120.859 120.200 -0.081 0.000 2.384 235 E HA 0.029 4.379 4.350 -0.000 0.000 0.266 235 E C 0.747 177.313 176.600 -0.056 0.000 1.012 235 E CA 0.204 56.566 56.400 -0.063 0.000 0.901 235 E CB 0.578 30.251 29.700 -0.045 0.000 0.967 235 E HN 0.811 nan 8.360 nan 0.000 0.435 236 H N 3.680 122.657 119.070 -0.155 0.000 2.297 236 H HA -0.258 4.298 4.556 -0.000 0.000 0.289 236 H C 1.724 176.961 175.328 -0.152 0.000 1.105 236 H CA 2.948 58.887 56.048 -0.181 0.000 1.219 236 H CB 0.115 29.766 29.762 -0.185 0.000 1.351 236 H HN 0.607 nan 8.280 nan 0.000 0.481 237 A N 0.314 123.090 122.820 -0.074 0.000 2.070 237 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 237 A C 1.909 179.441 177.584 -0.086 0.000 1.159 237 A CA 1.721 53.708 52.037 -0.083 0.000 0.656 237 A CB -0.110 18.896 19.000 0.011 0.000 0.800 237 A HN 0.613 nan 8.150 nan 0.000 0.453 238 E N -0.784 119.366 120.200 -0.084 0.000 2.472 238 E HA 0.037 4.387 4.350 -0.000 0.000 0.196 238 E C 1.564 178.114 176.600 -0.084 0.000 1.033 238 E CA -0.091 56.272 56.400 -0.062 0.000 0.886 238 E CB -0.188 29.485 29.700 -0.045 0.000 0.944 238 E HN 0.478 nan 8.360 nan 0.000 0.492 239 L N 2.227 123.364 121.223 -0.142 0.000 2.010 239 L HA -0.267 4.073 4.340 -0.000 0.000 0.219 239 L C 1.899 178.709 176.870 -0.101 0.000 1.077 239 L CA 2.077 56.823 54.840 -0.156 0.000 0.773 239 L CB -0.287 41.637 42.059 -0.224 0.000 0.892 239 L HN 0.037 nan 8.230 nan 0.000 0.436 240 E N -1.820 118.354 120.200 -0.043 0.000 2.152 240 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 240 E C 1.910 178.557 176.600 0.077 0.000 0.983 240 E CA 1.297 57.731 56.400 0.056 0.000 0.818 240 E CB -0.106 29.687 29.700 0.156 0.000 0.758 240 E HN 0.578 nan 8.360 nan 0.000 0.467 241 T N 0.869 115.445 114.554 0.037 0.000 2.708 241 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 241 T C 2.117 176.838 174.700 0.036 0.000 1.037 241 T CA 1.030 63.150 62.100 0.033 0.000 1.146 241 T CB -0.167 68.707 68.868 0.011 0.000 0.865 241 T HN -0.013 nan 8.240 nan 0.000 0.435 242 V N 1.415 121.335 119.914 0.010 0.000 2.427 242 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 242 V C 2.864 178.980 176.094 0.037 0.000 1.051 242 V CA 1.859 64.180 62.300 0.035 0.000 1.048 242 V CB -1.354 30.434 31.823 -0.057 0.000 0.666 242 V HN 0.598 nan 8.190 nan 0.000 0.456 243 G N -0.249 108.524 108.800 -0.046 0.000 2.418 243 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 243 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 243 G C 1.599 176.563 174.900 0.107 0.000 1.158 243 G CA 0.844 45.929 45.100 -0.026 0.000 0.771 243 G HN 0.464 nan 8.290 nan 0.000 0.545 244 L N -0.132 121.147 121.223 0.095 0.000 2.141 244 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 244 L C 2.937 179.830 176.870 0.038 0.000 1.094 244 L CA 1.271 56.131 54.840 0.034 0.000 0.763 244 L CB -0.259 41.770 42.059 -0.051 0.000 0.908 244 L HN 0.268 nan 8.230 nan 0.000 0.437 245 Q N -0.261 119.602 119.800 0.106 0.000 2.050 245 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 245 Q C 1.921 178.022 176.000 0.167 0.000 0.980 245 Q CA 2.012 57.886 55.803 0.119 0.000 0.840 245 Q CB -0.416 28.420 28.738 0.163 0.000 0.898 245 Q HN 0.370 nan 8.270 nan 0.000 0.424 246 W N 0.250 121.533 121.300 -0.028 0.000 2.358 246 W HA 0.003 4.663 4.660 -0.000 0.000 0.303 246 W C 2.431 178.939 176.519 -0.020 0.000 1.208 246 W CA 1.593 58.926 57.345 -0.020 0.000 1.274 246 W CB -0.996 28.456 29.460 -0.014 0.000 1.138 246 W HN 0.323 nan 8.180 nan 0.000 0.515 247 A N -0.074 122.870 122.820 0.207 0.000 1.930 247 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 247 A C 2.121 179.725 177.584 0.034 0.000 1.175 247 A CA 2.198 54.299 52.037 0.106 0.000 0.627 247 A CB -1.126 17.926 19.000 0.087 0.000 0.815 247 A HN 0.146 nan 8.150 nan 0.000 0.443 248 A N -0.123 122.699 122.820 0.004 0.000 1.898 248 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 248 A C 1.896 179.464 177.584 -0.027 0.000 1.181 248 A CA 1.547 53.566 52.037 -0.031 0.000 0.620 248 A CB -0.460 18.510 19.000 -0.050 0.000 0.819 248 A HN 0.611 nan 8.150 nan 0.000 0.442 249 E N -0.407 119.773 120.200 -0.035 0.000 2.150 249 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 249 E C 1.785 178.356 176.600 -0.049 0.000 0.985 249 E CA 1.018 57.378 56.400 -0.066 0.000 0.814 249 E CB -0.216 29.402 29.700 -0.137 0.000 0.752 249 E HN 0.707 nan 8.360 nan 0.000 0.466 250 I N 1.365 121.922 120.570 -0.021 0.000 2.286 250 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 250 I C 1.865 177.982 176.117 -0.000 0.000 1.104 250 I CA 0.618 61.916 61.300 -0.003 0.000 1.397 250 I CB -0.149 37.871 38.000 0.032 0.000 1.072 250 I HN 0.055 nan 8.210 nan 0.000 0.417 251 N N 1.113 119.814 118.700 0.001 0.000 2.459 251 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 251 N C 1.683 177.189 175.510 -0.006 0.000 1.046 251 N CA 1.079 54.130 53.050 0.001 0.000 0.904 251 N CB -0.007 38.481 38.487 0.002 0.000 0.964 251 N HN 0.302 nan 8.380 nan 0.000 0.444 252 A N 0.675 123.486 122.820 -0.014 0.000 2.167 252 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 252 A C 1.063 178.639 177.584 -0.014 0.000 1.151 252 A CA 0.639 52.666 52.037 -0.016 0.000 0.735 252 A CB 0.115 19.100 19.000 -0.025 0.000 0.802 252 A HN 0.132 nan 8.150 nan 0.000 0.467 253 K N -0.351 120.042 120.400 -0.012 0.000 2.240 253 K HA 0.385 4.705 4.320 -0.000 0.000 0.237 253 K C 0.066 176.663 176.600 -0.004 0.000 1.027 253 K CA -0.433 55.849 56.287 -0.009 0.000 0.937 253 K CB 0.674 33.169 32.500 -0.008 0.000 1.171 253 K HN 0.082 nan 8.250 nan 0.000 0.479 254 S N 1.453 117.152 115.700 -0.002 0.000 2.509 254 S HA 0.061 4.531 4.470 -0.000 0.000 0.287 254 S C -1.844 172.755 174.600 -0.002 0.000 1.248 254 S CA -1.234 56.965 58.200 -0.001 0.000 1.089 254 S CB 0.214 63.414 63.200 0.000 0.000 0.900 254 S HN 0.240 nan 8.310 nan 0.000 0.496 255 P HA -0.153 nan 4.420 nan 0.000 0.216 255 P C 1.585 178.878 177.300 -0.011 0.000 1.153 255 P CA 0.916 64.013 63.100 -0.005 0.000 0.858 255 P CB 0.116 31.815 31.700 -0.002 0.000 0.789 256 Q N 0.128 119.924 119.800 -0.008 0.000 2.061 256 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 256 Q C 2.032 178.025 176.000 -0.011 0.000 0.984 256 Q CA 2.308 58.104 55.803 -0.011 0.000 0.846 256 Q CB -1.367 27.366 28.738 -0.008 0.000 0.902 256 Q HN 0.117 nan 8.270 nan 0.000 0.421 257 A N 0.169 122.987 122.820 -0.003 0.000 1.877 257 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 257 A C 2.047 179.635 177.584 0.007 0.000 1.186 257 A CA 1.601 53.641 52.037 0.006 0.000 0.620 257 A CB -0.639 18.367 19.000 0.010 0.000 0.822 257 A HN 0.472 nan 8.150 nan 0.000 0.443 258 Q N -0.615 119.184 119.800 -0.001 0.000 2.096 258 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 258 Q C 2.228 178.197 176.000 -0.052 0.000 0.982 258 Q CA 1.872 57.673 55.803 -0.004 0.000 0.850 258 Q CB -0.413 28.320 28.738 -0.007 0.000 0.901 258 Q HN 0.760 nan 8.270 nan 0.000 0.422 259 R N -0.135 120.314 120.500 -0.085 0.000 2.073 259 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 259 R C 2.291 178.472 176.300 -0.199 0.000 1.134 259 R CA 1.318 57.300 56.100 -0.197 0.000 0.952 259 R CB 0.008 30.251 30.300 -0.095 0.000 0.850 259 R HN 0.138 nan 8.270 nan 0.000 0.433 260 M N 0.408 119.991 119.600 -0.028 0.000 2.117 260 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 260 M C 2.312 178.735 176.300 0.205 0.000 1.065 260 M CA 1.481 56.837 55.300 0.094 0.000 1.114 260 M CB -0.837 31.797 32.600 0.057 0.000 1.361 260 M HN 0.239 nan 8.290 nan 0.000 0.408 261 L N -0.112 121.158 121.223 0.079 0.000 2.046 261 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 261 L C 2.638 179.573 176.870 0.108 0.000 1.077 261 L CA 1.346 56.210 54.840 0.040 0.000 0.747 261 L CB -0.686 41.422 42.059 0.080 0.000 0.896 261 L HN 0.324 nan 8.230 nan 0.000 0.432 262 K N 0.029 120.469 120.400 0.067 0.000 2.057 262 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 262 K C 2.002 178.694 176.600 0.153 0.000 1.049 262 K CA 1.632 57.965 56.287 0.078 0.000 0.931 262 K CB -0.104 32.268 32.500 -0.214 0.000 0.714 262 K HN 0.062 nan 8.250 nan 0.000 0.440 263 F N 0.673 120.772 119.950 0.248 0.000 2.407 263 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 263 F C 2.314 178.241 175.800 0.211 0.000 1.097 263 F CA 0.489 58.655 58.000 0.276 0.000 1.422 263 F CB -0.815 38.387 39.000 0.335 0.000 1.067 263 F HN 0.119 nan 8.300 nan 0.000 0.539 264 A N -0.250 122.721 122.820 0.251 0.000 1.898 264 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 264 A C 2.013 179.514 177.584 -0.138 0.000 1.181 264 A CA 1.274 53.191 52.037 -0.201 0.000 0.620 264 A CB -1.180 17.627 19.000 -0.321 0.000 0.819 264 A HN 0.245 nan 8.150 nan 0.000 0.442 265 F N 0.800 120.802 119.950 0.086 0.000 2.186 265 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 265 F C 2.208 178.089 175.800 0.135 0.000 1.090 265 F CA 1.436 59.493 58.000 0.096 0.000 1.307 265 F CB -0.561 38.502 39.000 0.105 0.000 1.019 265 F HN 0.201 nan 8.300 nan 0.000 0.489 266 N N 0.156 119.073 118.700 0.362 0.000 2.142 266 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 266 N C 1.924 177.566 175.510 0.220 0.000 1.023 266 N CA 0.599 53.832 53.050 0.306 0.000 0.852 266 N CB -0.819 37.891 38.487 0.371 0.000 0.998 266 N HN 0.109 nan 8.380 nan 0.000 0.424 267 L N 0.794 122.113 121.223 0.159 0.000 2.151 267 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 267 L C 1.753 178.653 176.870 0.050 0.000 1.084 267 L CA 1.243 56.117 54.840 0.057 0.000 0.764 267 L CB -0.857 41.148 42.059 -0.089 0.000 0.891 267 L HN 0.111 nan 8.230 nan 0.000 0.435 268 L N -0.863 120.408 121.223 0.080 0.000 2.083 268 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 268 L C 1.882 178.813 176.870 0.101 0.000 1.083 268 L CA 1.917 56.809 54.840 0.086 0.000 0.752 268 L CB -0.624 41.517 42.059 0.136 0.000 0.899 268 L HN 0.410 nan 8.230 nan 0.000 0.433 269 D N -2.351 118.132 120.400 0.138 0.000 2.498 269 D HA 0.027 4.667 4.640 -0.000 0.000 0.223 269 D C 0.534 176.901 176.300 0.110 0.000 1.125 269 D CA 0.148 54.226 54.000 0.129 0.000 0.835 269 D CB 0.365 41.281 40.800 0.195 0.000 1.086 269 D HN 0.242 nan 8.370 nan 0.000 0.510 270 D N 1.066 121.548 120.400 0.135 0.000 2.325 270 D HA 0.185 4.825 4.640 -0.000 0.000 0.225 270 D C 1.576 177.924 176.300 0.080 0.000 1.096 270 D CA 0.223 54.308 54.000 0.142 0.000 0.844 270 D CB 0.366 41.294 40.800 0.213 0.000 0.925 270 D HN 0.170 nan 8.370 nan 0.000 0.513 271 G N 1.428 110.260 108.800 0.053 0.000 2.632 271 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.322 271 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.322 271 G C 1.207 176.114 174.900 0.012 0.000 1.326 271 G CA 0.396 45.513 45.100 0.028 0.000 0.986 271 G HN 0.361 nan 8.290 nan 0.000 0.541 272 L N 0.082 121.307 121.223 0.003 0.000 2.127 272 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 272 L C 3.203 180.047 176.870 -0.042 0.000 1.089 272 L CA 1.587 56.419 54.840 -0.013 0.000 0.757 272 L CB -0.718 41.334 42.059 -0.011 0.000 0.899 272 L HN 0.416 nan 8.230 nan 0.000 0.434 273 V N -0.087 119.799 119.914 -0.046 0.000 2.295 273 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 273 V C 2.618 178.609 176.094 -0.171 0.000 1.049 273 V CA 2.003 64.223 62.300 -0.133 0.000 1.024 273 V CB -1.293 30.467 31.823 -0.104 0.000 0.648 273 V HN 0.570 nan 8.190 nan 0.000 0.447 274 G N -1.268 107.497 108.800 -0.058 0.000 2.418 274 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 274 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 274 G C 1.550 176.440 174.900 -0.017 0.000 1.158 274 G CA 0.966 46.056 45.100 -0.017 0.000 0.771 274 G HN 0.531 nan 8.290 nan 0.000 0.545 275 Q N -0.368 119.425 119.800 -0.011 0.000 2.084 275 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 275 Q C 2.538 178.536 176.000 -0.003 0.000 0.978 275 Q CA 1.558 57.375 55.803 0.023 0.000 0.844 275 Q CB -0.244 28.500 28.738 0.011 0.000 0.898 275 Q HN 0.654 nan 8.270 nan 0.000 0.426 276 Q N 0.165 119.916 119.800 -0.082 0.000 2.061 276 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 276 Q C 2.128 178.000 176.000 -0.213 0.000 0.984 276 Q CA 1.510 57.236 55.803 -0.129 0.000 0.846 276 Q CB -0.132 28.509 28.738 -0.160 0.000 0.902 276 Q HN 0.492 nan 8.270 nan 0.000 0.421 277 L N -0.327 120.689 121.223 -0.346 0.000 2.056 277 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 277 L C 2.433 178.986 176.870 -0.528 0.000 1.078 277 L CA 1.127 55.579 54.840 -0.646 0.000 0.749 277 L CB -0.471 40.930 42.059 -1.098 0.000 0.901 277 L HN 0.253 nan 8.230 nan 0.000 0.433 278 F N 0.599 120.353 119.950 -0.328 0.000 2.113 278 F HA -0.176 4.352 4.527 0.000 0.000 0.297 278 F C 2.465 178.235 175.800 -0.050 0.000 1.103 278 F CA 1.241 59.200 58.000 -0.068 0.000 1.248 278 F CB -0.276 38.736 39.000 0.020 0.000 0.999 278 F HN -0.015 nan 8.300 nan 0.000 0.475 279 A N 0.277 123.119 122.820 0.037 0.000 1.940 279 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 279 A C 2.489 180.004 177.584 -0.115 0.000 1.176 279 A CA 1.684 53.709 52.037 -0.020 0.000 0.631 279 A CB -1.851 17.163 19.000 0.025 0.000 0.814 279 A HN 0.512 nan 8.150 nan 0.000 0.446 280 G N -0.492 108.220 108.800 -0.147 0.000 2.469 280 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 280 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 280 G C 1.409 176.216 174.900 -0.155 0.000 1.150 280 G CA 1.134 46.142 45.100 -0.153 0.000 0.763 280 G HN 0.481 nan 8.290 nan 0.000 0.561 281 E N 0.746 120.829 120.200 -0.194 0.000 2.107 281 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 281 E C 2.931 179.418 176.600 -0.189 0.000 0.982 281 E CA 0.927 57.227 56.400 -0.167 0.000 0.809 281 E CB -0.572 29.032 29.700 -0.159 0.000 0.756 281 E HN 0.361 nan 8.360 nan 0.000 0.459 282 A N 0.764 123.431 122.820 -0.255 0.000 1.933 282 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 282 A C 2.414 179.966 177.584 -0.053 0.000 1.175 282 A CA 2.041 53.980 52.037 -0.163 0.000 0.628 282 A CB -0.849 18.068 19.000 -0.137 0.000 0.814 282 A HN 0.245 nan 8.150 nan 0.000 0.444 283 T N -0.686 113.846 114.554 -0.036 0.000 2.746 283 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 283 T C 2.044 176.790 174.700 0.076 0.000 1.039 283 T CA 1.615 63.751 62.100 0.060 0.000 1.142 283 T CB -0.224 68.666 68.868 0.037 0.000 0.866 283 T HN 0.518 nan 8.240 nan 0.000 0.444 284 R N 0.954 121.419 120.500 -0.057 0.000 2.096 284 R HA -0.044 4.296 4.340 -0.000 0.000 0.240 284 R C 2.229 178.536 176.300 0.013 0.000 1.139 284 R CA 1.391 57.438 56.100 -0.088 0.000 0.952 284 R CB -0.753 29.494 30.300 -0.088 0.000 0.854 284 R HN 0.401 nan 8.270 nan 0.000 0.436 285 L N -0.712 120.519 121.223 0.013 0.000 2.005 285 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 285 L C 2.532 179.444 176.870 0.070 0.000 1.072 285 L CA 1.331 56.187 54.840 0.027 0.000 0.744 285 L CB -0.772 41.284 42.059 -0.004 0.000 0.895 285 L HN 0.304 nan 8.230 nan 0.000 0.433 286 A N -0.948 121.924 122.820 0.088 0.000 2.076 286 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 286 A C 2.023 179.664 177.584 0.096 0.000 1.160 286 A CA 1.368 53.452 52.037 0.079 0.000 0.653 286 A CB -0.771 18.267 19.000 0.064 0.000 0.801 286 A HN 0.393 nan 8.150 nan 0.000 0.455 287 Y N 0.105 120.393 120.300 -0.019 0.000 2.314 287 Y HA -0.063 4.487 4.550 -0.000 0.000 0.293 287 Y C 2.232 178.125 175.900 -0.012 0.000 1.129 287 Y CA 1.549 59.640 58.100 -0.015 0.000 1.201 287 Y CB -0.287 38.163 38.460 -0.015 0.000 0.999 287 Y HN 0.391 nan 8.280 nan 0.000 0.541 288 M N -1.049 118.631 119.600 0.133 0.000 2.530 288 M HA 0.189 4.669 4.480 -0.000 0.000 0.231 288 M C 0.096 176.416 176.300 0.032 0.000 1.180 288 M CA 0.271 55.612 55.300 0.069 0.000 0.985 288 M CB -0.426 32.208 32.600 0.056 0.000 1.623 288 M HN -0.194 nan 8.290 nan 0.000 0.475 289 T N 0.215 114.780 114.554 0.018 0.000 2.912 289 T HA 0.179 4.529 4.350 -0.000 0.000 0.280 289 T C 0.740 175.432 174.700 -0.013 0.000 0.989 289 T CA -0.656 61.445 62.100 0.001 0.000 0.995 289 T CB 1.772 70.638 68.868 -0.003 0.000 1.077 289 T HN 0.142 nan 8.240 nan 0.000 0.531 290 D N 0.704 121.097 120.400 -0.012 0.000 2.110 290 D HA -0.064 4.576 4.640 -0.000 0.000 0.202 290 D C 1.975 178.260 176.300 -0.025 0.000 0.975 290 D CA 1.125 55.115 54.000 -0.016 0.000 0.839 290 D CB 0.159 40.953 40.800 -0.010 0.000 0.996 290 D HN 0.627 nan 8.370 nan 0.000 0.464 291 E N 1.108 121.293 120.200 -0.025 0.000 2.097 291 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 291 E C 2.047 178.618 176.600 -0.050 0.000 1.000 291 E CA 1.045 57.426 56.400 -0.031 0.000 0.804 291 E CB -0.084 29.600 29.700 -0.028 0.000 0.740 291 E HN 0.153 nan 8.360 nan 0.000 0.454 292 A N 0.885 123.669 122.820 -0.060 0.000 2.067 292 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 292 A C 2.350 179.877 177.584 -0.095 0.000 1.158 292 A CA 0.855 52.831 52.037 -0.103 0.000 0.661 292 A CB -0.151 18.776 19.000 -0.121 0.000 0.801 292 A HN 0.096 nan 8.150 nan 0.000 0.452 293 V N -0.673 119.206 119.914 -0.057 0.000 2.326 293 V HA -0.104 4.016 4.120 -0.000 0.000 0.238 293 V C 2.458 178.528 176.094 -0.041 0.000 1.038 293 V CA 1.445 63.717 62.300 -0.046 0.000 1.032 293 V CB -0.515 31.293 31.823 -0.025 0.000 0.675 293 V HN 0.624 nan 8.190 nan 0.000 0.467 294 E N 1.269 121.450 120.200 -0.032 0.000 2.017 294 E HA -0.217 4.133 4.350 -0.000 0.000 0.220 294 E C 1.332 177.912 176.600 -0.034 0.000 1.032 294 E CA 1.736 58.120 56.400 -0.027 0.000 0.888 294 E CB -0.971 28.716 29.700 -0.023 0.000 0.801 294 E HN 0.489 nan 8.360 nan 0.000 0.503 295 G N 1.584 110.361 108.800 -0.038 0.000 2.404 295 G HA2 0.237 4.197 3.960 -0.000 0.000 0.289 295 G HA3 0.237 4.197 3.960 -0.000 0.000 0.289 295 G C 0.238 175.101 174.900 -0.061 0.000 1.074 295 G CA 0.156 45.230 45.100 -0.043 0.000 1.210 295 G HN 0.261 nan 8.290 nan 0.000 0.434 296 R N 0.000 120.467 120.500 -0.056 0.000 2.786 296 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 296 R CA 0.000 56.059 56.100 -0.069 0.000 0.921 296 R CB 0.000 30.244 30.300 -0.092 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535