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 2zw5_1_B DATA FIRST_RESID 9 DATA SEQUENCE TAHLRTARLE LTPLDPAADA RHLHHAYGDE EVMRWWTRPA CADPAETERY DATA SEQUENCE LTSCAAAPGA RLWTIRAPDG TVPGMAGLLG GTDVPGLTWL LRRDSWGHGY DATA SEQUENCE ATEAAAAVVG HALEDGGLDR VEAWIEAGNR RSLAVAARVG LTERARLAQH DATA SEQUENCE YPHRPGPHEM VVLGKARAEE PLTTLAVITE LPVRDVAATL RLVEAALGAR DATA SEQUENCE TAFAIGDPPE FAEAALTPWS AGPRFRLAAV PGPGPVEPVR LHLDAAGTAD DATA SEQUENCE SLHRRAVDAG ARVDGPPVRR PWGRSEFVIT LPEGHELTVS APV 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.811 174.700 0.185 0.000 1.109 9 T CA 0.000 62.164 62.100 0.107 0.000 1.349 9 T CB 0.000 68.884 68.868 0.027 0.000 0.612 10 A N 2.912 125.905 122.820 0.290 0.000 2.726 10 A HA 0.967 5.287 4.320 -0.000 0.000 0.248 10 A C -1.294 176.519 177.584 0.382 0.000 1.249 10 A CA -0.486 51.729 52.037 0.297 0.000 0.846 10 A CB 0.932 20.030 19.000 0.163 0.000 1.391 10 A HN 0.766 nan 8.150 nan 0.000 0.497 11 H N -0.804 118.319 119.070 0.088 0.000 2.524 11 H HA 0.634 5.190 4.556 -0.000 0.000 0.353 11 H C -1.079 174.148 175.328 -0.169 0.000 1.136 11 H CA -0.464 55.597 56.048 0.022 0.000 1.193 11 H CB 1.454 31.226 29.762 0.016 0.000 1.558 11 H HN 0.284 nan 8.280 nan 0.000 0.515 12 L N 2.753 123.829 121.223 -0.244 0.000 2.313 12 L HA 0.499 4.839 4.340 -0.000 0.000 0.283 12 L C -0.102 176.666 176.870 -0.171 0.000 1.013 12 L CA -0.456 54.182 54.840 -0.337 0.000 0.816 12 L CB 1.318 43.000 42.059 -0.627 0.000 1.236 12 L HN 0.545 nan 8.230 nan 0.000 0.419 13 R N 1.141 121.567 120.500 -0.125 0.000 2.439 13 R HA 0.578 4.918 4.340 -0.000 0.000 0.310 13 R C -0.156 176.098 176.300 -0.077 0.000 0.955 13 R CA -0.232 55.824 56.100 -0.075 0.000 0.853 13 R CB 1.709 31.983 30.300 -0.044 0.000 1.171 13 R HN 0.819 nan 8.270 nan 0.000 0.449 14 T N -0.358 114.156 114.554 -0.067 0.000 2.905 14 T HA 0.526 4.876 4.350 -0.000 0.000 0.283 14 T C 0.573 175.254 174.700 -0.033 0.000 1.031 14 T CA -0.617 61.450 62.100 -0.054 0.000 1.002 14 T CB 1.678 70.511 68.868 -0.058 0.000 1.200 14 T HN 0.450 nan 8.240 nan 0.000 0.560 15 A N 0.173 122.980 122.820 -0.022 0.000 2.305 15 A HA 0.423 4.743 4.320 -0.000 0.000 0.236 15 A C 1.414 179.001 177.584 0.004 0.000 1.392 15 A CA 0.159 52.191 52.037 -0.009 0.000 1.205 15 A CB -1.286 17.710 19.000 -0.006 0.000 0.881 15 A HN 0.914 nan 8.150 nan 0.000 0.558 16 R N -2.595 117.903 120.500 -0.004 0.000 2.185 16 R HA 0.051 4.391 4.340 -0.000 0.000 0.029 16 R C -0.400 175.883 176.300 -0.030 0.000 0.821 16 R CA 0.330 56.434 56.100 0.006 0.000 3.402 16 R CB -0.361 29.970 30.300 0.053 0.000 0.828 16 R HN 0.439 nan 8.270 nan 0.000 0.566 17 L N 0.431 121.623 121.223 -0.052 0.000 2.448 17 L HA 0.623 4.963 4.340 -0.000 0.000 0.258 17 L C -0.132 176.694 176.870 -0.073 0.000 1.104 17 L CA -0.434 54.349 54.840 -0.095 0.000 0.800 17 L CB 0.652 42.629 42.059 -0.137 0.000 1.241 17 L HN -0.010 nan 8.230 nan 0.000 0.472 18 E N 1.237 121.394 120.200 -0.071 0.000 2.283 18 E HA 0.359 4.709 4.350 -0.000 0.000 0.258 18 E C -1.793 174.783 176.600 -0.041 0.000 0.893 18 E CA -0.669 55.708 56.400 -0.040 0.000 0.798 18 E CB 2.093 31.793 29.700 -0.001 0.000 1.242 18 E HN 0.358 nan 8.360 nan 0.000 0.414 19 L N 3.122 124.292 121.223 -0.089 0.000 2.276 19 L HA 0.327 4.667 4.340 -0.000 0.000 0.286 19 L C 0.566 177.399 176.870 -0.062 0.000 1.061 19 L CA -0.071 54.721 54.840 -0.081 0.000 0.807 19 L CB 1.204 43.112 42.059 -0.251 0.000 1.177 19 L HN 0.443 nan 8.230 nan 0.000 0.429 20 T N 1.915 116.516 114.554 0.078 0.000 2.824 20 T HA 0.628 4.978 4.350 -0.000 0.000 0.282 20 T C -2.775 172.005 174.700 0.133 0.000 0.993 20 T CA -2.468 59.591 62.100 -0.068 0.000 0.967 20 T CB 1.802 70.646 68.868 -0.040 0.000 0.960 20 T HN 0.189 nan 8.240 nan 0.000 0.441 21 P HA 0.011 nan 4.420 nan 0.000 0.259 21 P C 0.162 177.413 177.300 -0.081 0.000 1.163 21 P CA -0.276 62.721 63.100 -0.170 0.000 0.760 21 P CB 0.082 31.710 31.700 -0.120 0.000 0.762 22 L N 4.039 125.197 121.223 -0.108 0.000 2.559 22 L HA 0.012 4.352 4.340 -0.000 0.000 0.282 22 L C 0.545 177.408 176.870 -0.012 0.000 1.232 22 L CA 1.158 55.986 54.840 -0.020 0.000 0.885 22 L CB 0.003 42.053 42.059 -0.016 0.000 1.131 22 L HN 0.312 nan 8.230 nan 0.000 0.498 23 D N 6.442 126.857 120.400 0.025 0.000 2.404 23 D HA 0.275 4.915 4.640 -0.000 0.000 0.267 23 D C -1.902 174.409 176.300 0.018 0.000 1.194 23 D CA -1.755 52.258 54.000 0.022 0.000 0.910 23 D CB 1.418 42.244 40.800 0.044 0.000 1.090 23 D HN 0.297 nan 8.370 nan 0.000 0.511 24 P HA -0.255 nan 4.420 nan 0.000 0.222 24 P C 1.075 178.362 177.300 -0.023 0.000 1.159 24 P CA 2.013 65.104 63.100 -0.014 0.000 0.920 24 P CB 0.313 31.999 31.700 -0.024 0.000 0.793 25 A N -1.311 121.497 122.820 -0.020 0.000 1.970 25 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 25 A C 2.263 179.829 177.584 -0.031 0.000 1.170 25 A CA 1.717 53.736 52.037 -0.029 0.000 0.645 25 A CB -1.249 17.738 19.000 -0.022 0.000 0.816 25 A HN 0.223 nan 8.150 nan 0.000 0.447 26 A N 0.092 122.911 122.820 -0.001 0.000 1.878 26 A HA -0.023 4.297 4.320 -0.000 0.000 0.213 26 A C 1.553 179.151 177.584 0.024 0.000 1.192 26 A CA 1.584 53.637 52.037 0.026 0.000 0.619 26 A CB -0.291 18.749 19.000 0.068 0.000 0.837 26 A HN 0.386 nan 8.150 nan 0.000 0.446 27 D N 0.046 120.483 120.400 0.061 0.000 2.348 27 D HA 0.211 4.851 4.640 -0.000 0.000 0.211 27 D C 1.891 178.192 176.300 0.001 0.000 0.998 27 D CA 0.886 54.967 54.000 0.135 0.000 0.873 27 D CB -0.260 40.656 40.800 0.195 0.000 0.925 27 D HN 0.382 nan 8.370 nan 0.000 0.524 28 A N 1.189 123.976 122.820 -0.055 0.000 2.032 28 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 28 A C 2.178 179.694 177.584 -0.114 0.000 1.165 28 A CA 1.137 53.135 52.037 -0.066 0.000 0.645 28 A CB -0.333 18.619 19.000 -0.080 0.000 0.807 28 A HN -0.002 nan 8.150 nan 0.000 0.453 29 R N -0.417 119.920 120.500 -0.272 0.000 2.066 29 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 29 R C 1.934 178.082 176.300 -0.253 0.000 1.131 29 R CA 2.230 58.130 56.100 -0.333 0.000 0.955 29 R CB -0.633 29.402 30.300 -0.442 0.000 0.851 29 R HN 0.837 nan 8.270 nan 0.000 0.432 30 H N -0.335 118.808 119.070 0.122 0.000 2.343 30 H HA 0.059 4.615 4.556 -0.000 0.000 0.303 30 H C 2.132 177.643 175.328 0.306 0.000 1.068 30 H CA 1.099 57.324 56.048 0.295 0.000 1.359 30 H CB -0.242 29.641 29.762 0.202 0.000 1.402 30 H HN 0.052 nan 8.280 nan 0.000 0.515 31 L N 0.463 121.864 121.223 0.298 0.000 2.191 31 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 31 L C 2.304 179.337 176.870 0.272 0.000 1.103 31 L CA 1.330 56.344 54.840 0.289 0.000 0.769 31 L CB -0.493 41.752 42.059 0.311 0.000 0.908 31 L HN 0.415 nan 8.230 nan 0.000 0.438 32 H N -0.314 118.786 119.070 0.049 0.000 2.489 32 H HA -0.188 4.368 4.556 -0.000 0.000 0.295 32 H C 2.047 177.337 175.328 -0.065 0.000 1.082 32 H CA 1.572 57.602 56.048 -0.029 0.000 1.295 32 H CB -0.128 29.536 29.762 -0.162 0.000 1.380 32 H HN 0.387 nan 8.280 nan 0.000 0.548 33 H N -1.355 117.718 119.070 0.005 0.000 2.518 33 H HA -0.018 4.538 4.556 -0.000 0.000 0.292 33 H C 1.947 177.177 175.328 -0.164 0.000 1.068 33 H CA 0.998 57.008 56.048 -0.065 0.000 1.275 33 H CB 0.296 30.064 29.762 0.010 0.000 1.375 33 H HN 0.551 nan 8.280 nan 0.000 0.563 34 A N -0.602 122.160 122.820 -0.096 0.000 1.969 34 A HA 0.032 4.352 4.320 -0.000 0.000 0.205 34 A C 1.493 178.814 177.584 -0.437 0.000 1.364 34 A CA -0.025 51.856 52.037 -0.260 0.000 0.756 34 A CB -0.536 18.266 19.000 -0.330 0.000 0.988 34 A HN 0.309 nan 8.150 nan 0.000 0.490 35 Y N 0.753 120.820 120.300 -0.388 0.000 2.403 35 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 35 Y C 2.497 178.100 175.900 -0.496 0.000 1.143 35 Y CA 1.091 58.893 58.100 -0.497 0.000 1.257 35 Y CB -0.182 37.989 38.460 -0.482 0.000 0.984 35 Y HN 0.384 nan 8.280 nan 0.000 0.550 36 G N -1.410 107.058 108.800 -0.554 0.000 2.777 36 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.211 36 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.211 36 G C -0.022 174.688 174.900 -0.315 0.000 1.149 36 G CA -0.041 44.695 45.100 -0.606 0.000 0.785 36 G HN 0.104 nan 8.290 nan 0.000 0.536 37 D N 0.748 120.980 120.400 -0.280 0.000 2.325 37 D HA 0.115 4.755 4.640 -0.000 0.000 0.251 37 D C 1.570 177.773 176.300 -0.161 0.000 1.196 37 D CA -0.313 53.572 54.000 -0.191 0.000 0.866 37 D CB 1.486 42.175 40.800 -0.185 0.000 1.101 37 D HN 0.429 nan 8.370 nan 0.000 0.476 38 E N 3.049 123.175 120.200 -0.123 0.000 2.106 38 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 38 E C 1.351 177.901 176.600 -0.084 0.000 0.984 38 E CA 1.166 57.505 56.400 -0.101 0.000 0.806 38 E CB -0.062 29.589 29.700 -0.082 0.000 0.750 38 E HN 0.555 nan 8.360 nan 0.000 0.458 39 E N 0.088 120.240 120.200 -0.080 0.000 2.204 39 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 39 E C 1.707 178.338 176.600 0.051 0.000 0.989 39 E CA 1.175 57.550 56.400 -0.042 0.000 0.824 39 E CB 0.259 29.909 29.700 -0.083 0.000 0.756 39 E HN 0.299 nan 8.360 nan 0.000 0.477 40 V N 0.595 120.518 119.914 0.016 0.000 2.992 40 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 40 V C 1.878 178.016 176.094 0.073 0.000 1.090 40 V CA 0.739 63.122 62.300 0.138 0.000 1.101 40 V CB 0.075 31.905 31.823 0.010 0.000 0.743 40 V HN 0.326 nan 8.190 nan 0.000 0.468 41 M N 0.524 120.101 119.600 -0.038 0.000 2.495 41 M HA 0.121 4.601 4.480 -0.000 0.000 0.237 41 M C 2.126 178.474 176.300 0.082 0.000 1.131 41 M CA 0.418 55.713 55.300 -0.007 0.000 1.032 41 M CB -0.677 31.848 32.600 -0.125 0.000 1.513 41 M HN 0.486 nan 8.290 nan 0.000 0.488 42 R N -0.328 120.160 120.500 -0.019 0.000 2.127 42 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 42 R C 1.071 177.239 176.300 -0.221 0.000 1.134 42 R CA 1.701 57.677 56.100 -0.206 0.000 0.975 42 R CB -0.667 29.374 30.300 -0.431 0.000 0.865 42 R HN 0.395 nan 8.270 nan 0.000 0.447 43 W N -0.516 120.918 121.300 0.223 0.000 3.220 43 W HA 0.302 4.962 4.660 -0.000 0.000 0.328 43 W C 0.711 177.405 176.519 0.291 0.000 1.205 43 W CA -1.451 56.022 57.345 0.213 0.000 1.773 43 W CB 0.149 29.707 29.460 0.164 0.000 1.086 43 W HN 0.036 nan 8.180 nan 0.000 0.622 44 W N 1.983 123.415 121.300 0.219 0.000 1.975 44 W HA -0.077 4.583 4.660 -0.000 0.000 0.359 44 W C 1.946 178.484 176.519 0.031 0.000 1.363 44 W CA 1.316 58.730 57.345 0.115 0.000 1.376 44 W CB 0.862 30.338 29.460 0.027 0.000 1.231 44 W HN -0.179 nan 8.180 nan 0.000 0.641 45 T N 0.399 114.583 114.554 -0.617 0.000 2.896 45 T HA 0.059 4.409 4.350 -0.000 0.000 0.263 45 T C 0.775 175.291 174.700 -0.306 0.000 1.050 45 T CA 0.651 62.179 62.100 -0.954 0.000 1.140 45 T CB 0.153 68.556 68.868 -0.776 0.000 0.877 45 T HN 0.334 nan 8.240 nan 0.000 0.457 46 R N 1.153 121.727 120.500 0.124 0.000 2.892 46 R HA 0.622 4.961 4.340 -0.000 0.000 0.265 46 R C -2.933 173.348 176.300 -0.033 0.000 1.025 46 R CA -2.536 53.666 56.100 0.170 0.000 0.982 46 R CB 1.609 32.114 30.300 0.342 0.000 1.185 46 R HN 0.144 nan 8.270 nan 0.000 0.484 47 P HA 0.131 nan 4.420 nan 0.000 0.274 47 P C -1.019 176.215 177.300 -0.109 0.000 1.237 47 P CA -0.396 62.540 63.100 -0.273 0.000 0.793 47 P CB 0.659 32.207 31.700 -0.252 0.000 0.977 48 A N 1.413 124.160 122.820 -0.123 0.000 2.555 48 A HA 0.036 4.356 4.320 -0.000 0.000 0.233 48 A C 0.261 177.789 177.584 -0.092 0.000 1.060 48 A CA 0.055 52.011 52.037 -0.134 0.000 0.759 48 A CB -0.613 18.301 19.000 -0.143 0.000 0.995 48 A HN 0.633 nan 8.150 nan 0.000 0.506 49 C N 2.243 121.482 119.300 -0.100 0.000 2.576 49 C HA 0.404 4.864 4.460 -0.000 0.000 0.401 49 C C 2.019 177.058 174.990 0.081 0.000 1.314 49 C CA 0.173 59.183 59.018 -0.014 0.000 1.855 49 C CB -0.259 27.477 27.740 -0.006 0.000 2.537 49 C HN 0.988 nan 8.230 nan 0.000 0.578 50 A N 3.287 126.149 122.820 0.069 0.000 1.902 50 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 50 A C 0.834 178.487 177.584 0.115 0.000 1.181 50 A CA 1.719 53.798 52.037 0.071 0.000 0.623 50 A CB -0.176 18.840 19.000 0.026 0.000 0.818 50 A HN 0.958 nan 8.150 nan 0.000 0.443 51 D N -3.446 116.986 120.400 0.054 0.000 2.547 51 D HA 0.362 5.002 4.640 -0.000 0.000 0.231 51 D C -2.862 173.178 176.300 -0.433 0.000 1.099 51 D CA -1.691 52.196 54.000 -0.188 0.000 0.901 51 D CB 1.160 41.872 40.800 -0.147 0.000 1.478 51 D HN -0.145 nan 8.370 nan 0.000 0.471 52 P HA -0.063 nan 4.420 nan 0.000 0.223 52 P C 1.111 178.261 177.300 -0.251 0.000 1.144 52 P CA 1.411 64.122 63.100 -0.648 0.000 0.783 52 P CB 0.120 31.483 31.700 -0.561 0.000 0.771 53 A N -0.104 122.594 122.820 -0.203 0.000 1.898 53 A HA -0.167 4.153 4.320 -0.000 0.000 0.214 53 A C 2.341 179.885 177.584 -0.067 0.000 1.183 53 A CA 1.335 53.304 52.037 -0.114 0.000 0.622 53 A CB -1.101 17.842 19.000 -0.095 0.000 0.824 53 A HN 0.181 nan 8.150 nan 0.000 0.444 54 E N -0.473 119.697 120.200 -0.051 0.000 2.072 54 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 54 E C 1.836 178.443 176.600 0.013 0.000 0.985 54 E CA 1.597 57.997 56.400 -0.000 0.000 0.801 54 E CB -0.179 29.533 29.700 0.021 0.000 0.750 54 E HN 0.490 nan 8.360 nan 0.000 0.452 55 T N 0.804 115.354 114.554 -0.006 0.000 2.803 55 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 55 T C 1.637 176.284 174.700 -0.090 0.000 1.052 55 T CA 1.517 63.570 62.100 -0.078 0.000 1.136 55 T CB -0.189 68.702 68.868 0.039 0.000 0.864 55 T HN 0.322 nan 8.240 nan 0.000 0.467 56 E N 0.703 120.867 120.200 -0.059 0.000 2.072 56 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 56 E C 2.444 179.028 176.600 -0.027 0.000 0.982 56 E CA 0.666 57.034 56.400 -0.053 0.000 0.803 56 E CB 0.050 29.714 29.700 -0.060 0.000 0.755 56 E HN 0.368 nan 8.360 nan 0.000 0.453 57 R N -0.626 119.868 120.500 -0.010 0.000 2.081 57 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 57 R C 2.350 178.659 176.300 0.014 0.000 1.131 57 R CA 1.654 57.753 56.100 -0.002 0.000 0.960 57 R CB -0.426 29.877 30.300 0.005 0.000 0.856 57 R HN 0.291 nan 8.270 nan 0.000 0.436 58 Y N 1.216 121.453 120.300 -0.105 0.000 2.181 58 Y HA -0.175 4.375 4.550 -0.000 0.000 0.288 58 Y C 1.884 177.698 175.900 -0.143 0.000 1.146 58 Y CA 1.428 59.457 58.100 -0.118 0.000 1.164 58 Y CB -0.241 38.119 38.460 -0.167 0.000 0.982 58 Y HN -0.041 nan 8.280 nan 0.000 0.515 59 L N -0.630 120.643 121.223 0.083 0.000 2.046 59 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 59 L C 2.421 179.275 176.870 -0.027 0.000 1.077 59 L CA 2.075 56.919 54.840 0.008 0.000 0.747 59 L CB -0.888 41.138 42.059 -0.055 0.000 0.896 59 L HN 0.313 nan 8.230 nan 0.000 0.432 60 T N -3.231 111.300 114.554 -0.039 0.000 2.777 60 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 60 T C 2.054 176.712 174.700 -0.070 0.000 1.040 60 T CA 1.339 63.410 62.100 -0.048 0.000 1.141 60 T CB -0.379 68.464 68.868 -0.042 0.000 0.868 60 T HN 0.177 nan 8.240 nan 0.000 0.444 61 S N 0.896 116.536 115.700 -0.100 0.000 2.359 61 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 61 S C 2.505 177.021 174.600 -0.139 0.000 1.035 61 S CA 1.212 59.332 58.200 -0.133 0.000 1.018 61 S CB -0.896 62.185 63.200 -0.198 0.000 0.876 61 S HN 0.644 nan 8.310 nan 0.000 0.448 62 C N 1.628 120.833 119.300 -0.158 0.000 2.398 62 C HA -0.121 4.339 4.460 -0.000 0.000 0.276 62 C C 3.057 178.004 174.990 -0.070 0.000 1.222 62 C CA 0.685 59.641 59.018 -0.104 0.000 1.746 62 C CB -1.585 26.147 27.740 -0.014 0.000 2.039 62 C HN 0.688 nan 8.230 nan 0.000 0.470 63 A N 0.293 123.075 122.820 -0.064 0.000 1.933 63 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 63 A C 2.372 179.912 177.584 -0.073 0.000 1.175 63 A CA 2.016 54.010 52.037 -0.072 0.000 0.628 63 A CB -0.896 18.064 19.000 -0.067 0.000 0.814 63 A HN 0.602 nan 8.150 nan 0.000 0.444 64 A N 0.203 122.981 122.820 -0.070 0.000 1.940 64 A HA 0.275 4.595 4.320 -0.000 0.000 0.219 64 A C 1.673 179.219 177.584 -0.063 0.000 1.176 64 A CA 1.217 53.217 52.037 -0.063 0.000 0.631 64 A CB -1.350 17.613 19.000 -0.063 0.000 0.814 64 A HN 1.429 nan 8.150 nan 0.000 0.446 65 A N 0.099 122.875 122.820 -0.072 0.000 2.613 65 A HA 0.292 4.612 4.320 -0.000 0.000 0.230 65 A C -0.495 177.051 177.584 -0.062 0.000 1.051 65 A CA -0.118 51.876 52.037 -0.070 0.000 0.754 65 A CB -0.464 18.489 19.000 -0.079 0.000 0.979 65 A HN 0.317 nan 8.150 nan 0.000 0.510 66 P HA -0.228 nan 4.420 nan 0.000 0.223 66 P C 1.235 178.506 177.300 -0.047 0.000 0.816 66 P CA 2.263 65.335 63.100 -0.046 0.000 1.074 66 P CB -0.115 31.558 31.700 -0.044 0.000 0.700 67 G N -1.672 107.099 108.800 -0.048 0.000 3.591 67 G HA2 0.348 4.308 3.960 -0.000 0.000 0.282 67 G HA3 0.348 4.308 3.960 -0.000 0.000 0.282 67 G C 0.152 175.014 174.900 -0.063 0.000 1.238 67 G CA 0.253 45.325 45.100 -0.046 0.000 0.993 67 G HN 0.509 nan 8.290 nan 0.000 0.542 68 A N 1.450 124.224 122.820 -0.078 0.000 2.639 68 A HA 0.442 4.762 4.320 -0.000 0.000 0.295 68 A C 0.348 177.833 177.584 -0.165 0.000 1.443 68 A CA -0.284 51.695 52.037 -0.097 0.000 1.117 68 A CB 0.004 18.953 19.000 -0.085 0.000 1.098 68 A HN 0.156 nan 8.150 nan 0.000 0.552 69 R N 2.898 123.270 120.500 -0.213 0.000 2.391 69 R HA 0.403 4.743 4.340 -0.000 0.000 0.310 69 R C -0.751 175.077 176.300 -0.787 0.000 1.174 69 R CA -0.166 55.647 56.100 -0.480 0.000 1.118 69 R CB -0.287 29.814 30.300 -0.333 0.000 1.134 69 R HN 0.665 nan 8.270 nan 0.000 0.524 70 L N 1.828 122.642 121.223 -0.682 0.000 2.325 70 L HA 0.606 4.946 4.340 -0.000 0.000 0.278 70 L C -0.120 176.395 176.870 -0.591 0.000 1.023 70 L CA -0.767 53.810 54.840 -0.438 0.000 0.811 70 L CB 1.718 43.709 42.059 -0.112 0.000 1.249 70 L HN 0.184 nan 8.230 nan 0.000 0.431 71 W N 0.571 121.914 121.300 0.070 0.000 2.819 71 W HA 0.357 5.017 4.660 -0.000 0.000 0.337 71 W C -0.600 175.948 176.519 0.048 0.000 1.077 71 W CA -0.547 56.814 57.345 0.027 0.000 1.226 71 W CB 2.378 31.839 29.460 0.002 0.000 1.419 71 W HN 0.331 nan 8.180 nan 0.000 0.502 72 T N 3.701 118.400 114.554 0.243 0.000 2.771 72 T HA 0.395 4.745 4.350 -0.000 0.000 0.291 72 T C 0.217 174.994 174.700 0.129 0.000 0.954 72 T CA -0.338 61.864 62.100 0.171 0.000 1.045 72 T CB 0.680 69.629 68.868 0.135 0.000 0.917 72 T HN 0.083 nan 8.240 nan 0.000 0.484 73 I N 4.012 124.635 120.570 0.089 0.000 2.441 73 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 73 I C 0.725 176.803 176.117 -0.066 0.000 1.049 73 I CA -0.465 60.837 61.300 0.003 0.000 1.381 73 I CB 0.447 38.431 38.000 -0.028 0.000 1.409 73 I HN 0.277 nan 8.210 nan 0.000 0.523 74 R N 5.784 126.227 120.500 -0.095 0.000 2.337 74 R HA 0.616 4.955 4.340 -0.000 0.000 0.319 74 R C -0.607 175.581 176.300 -0.186 0.000 0.954 74 R CA -0.722 55.303 56.100 -0.125 0.000 0.840 74 R CB 1.603 31.860 30.300 -0.071 0.000 1.164 74 R HN 0.713 nan 8.270 nan 0.000 0.472 75 A N 4.649 127.309 122.820 -0.267 0.000 2.388 75 A HA 0.326 4.646 4.320 -0.000 0.000 0.257 75 A C -1.358 176.126 177.584 -0.167 0.000 1.095 75 A CA -1.295 50.539 52.037 -0.338 0.000 0.791 75 A CB 0.116 18.811 19.000 -0.509 0.000 1.029 75 A HN 0.430 nan 8.150 nan 0.000 0.489 76 P HA -0.120 nan 4.420 nan 0.000 0.235 76 P C -0.192 177.092 177.300 -0.027 0.000 1.166 76 P CA 1.261 64.336 63.100 -0.042 0.000 0.760 76 P CB -0.165 31.534 31.700 -0.001 0.000 0.815 77 D N -2.003 118.371 120.400 -0.043 0.000 2.957 77 D HA 0.193 4.833 4.640 -0.000 0.000 0.352 77 D C 1.062 177.333 176.300 -0.048 0.000 1.352 77 D CA -0.734 53.249 54.000 -0.028 0.000 0.831 77 D CB -0.800 39.996 40.800 -0.007 0.000 1.147 77 D HN 0.049 nan 8.370 nan 0.000 0.467 78 G N 0.297 109.064 108.800 -0.056 0.000 2.309 78 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.286 78 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.286 78 G C 0.361 175.207 174.900 -0.091 0.000 1.002 78 G CA 1.171 46.233 45.100 -0.064 0.000 0.786 78 G HN 0.629 nan 8.290 nan 0.000 0.511 79 T N -1.262 113.226 114.554 -0.110 0.000 2.940 79 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 79 T C 0.083 174.683 174.700 -0.166 0.000 1.033 79 T CA -0.267 61.754 62.100 -0.131 0.000 1.033 79 T CB 1.761 70.563 68.868 -0.110 0.000 1.079 79 T HN 0.415 nan 8.240 nan 0.000 0.496 80 V N 6.465 126.284 119.914 -0.158 0.000 2.235 80 V HA 0.279 4.399 4.120 -0.000 0.000 0.266 80 V C -1.355 174.702 176.094 -0.061 0.000 1.055 80 V CA -1.288 60.938 62.300 -0.124 0.000 0.844 80 V CB 0.912 32.651 31.823 -0.140 0.000 1.097 80 V HN 0.747 nan 8.190 nan 0.000 0.453 81 P HA 0.009 nan 4.420 nan 0.000 0.216 81 P C 0.775 178.118 177.300 0.072 0.000 1.150 81 P CA 1.671 64.766 63.100 -0.008 0.000 0.837 81 P CB 0.778 32.441 31.700 -0.062 0.000 0.786 82 G N -1.762 107.075 108.800 0.061 0.000 2.335 82 G HA2 0.405 4.365 3.960 -0.000 0.000 0.291 82 G HA3 0.405 4.365 3.960 -0.000 0.000 0.291 82 G C -1.858 173.121 174.900 0.133 0.000 1.261 82 G CA -0.470 44.695 45.100 0.108 0.000 0.871 82 G HN 0.090 nan 8.290 nan 0.000 0.491 83 M N 0.627 120.329 119.600 0.171 0.000 2.598 83 M HA 0.838 5.318 4.480 -0.000 0.000 0.317 83 M C -0.860 175.612 176.300 0.286 0.000 1.179 83 M CA -0.707 54.731 55.300 0.229 0.000 0.936 83 M CB 1.548 34.310 32.600 0.270 0.000 1.713 83 M HN 1.757 nan 8.290 nan 0.000 0.460 84 A N 1.677 124.694 122.820 0.329 0.000 2.566 84 A HA 0.885 5.205 4.320 -0.000 0.000 0.297 84 A C -0.666 177.197 177.584 0.466 0.000 1.059 84 A CA 0.146 52.419 52.037 0.394 0.000 0.691 84 A CB 1.534 20.711 19.000 0.295 0.000 1.282 84 A HN 1.234 nan 8.150 nan 0.000 0.401 85 G N -0.509 108.569 108.800 0.463 0.000 2.317 85 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 85 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 85 G C -1.991 173.095 174.900 0.311 0.000 1.287 85 G CA -0.699 44.682 45.100 0.467 0.000 0.850 85 G HN 1.042 nan 8.290 nan 0.000 0.515 86 L N 0.568 121.914 121.223 0.204 0.000 2.282 86 L HA 0.600 4.940 4.340 -0.000 0.000 0.288 86 L C 0.166 177.046 176.870 0.016 0.000 1.033 86 L CA -0.647 54.256 54.840 0.105 0.000 0.807 86 L CB 1.426 43.542 42.059 0.095 0.000 1.209 86 L HN 0.408 nan 8.230 nan 0.000 0.423 87 L N 1.937 123.150 121.223 -0.016 0.000 2.453 87 L HA 0.559 4.899 4.340 -0.000 0.000 0.261 87 L C 0.922 177.748 176.870 -0.075 0.000 1.179 87 L CA 0.151 54.956 54.840 -0.059 0.000 0.813 87 L CB 0.329 42.318 42.059 -0.116 0.000 1.110 87 L HN 0.677 nan 8.230 nan 0.000 0.466 88 G N -1.288 107.464 108.800 -0.081 0.000 2.417 88 G HA2 0.517 4.477 3.960 -0.000 0.000 0.334 88 G HA3 0.517 4.477 3.960 -0.000 0.000 0.334 88 G C 0.465 175.315 174.900 -0.083 0.000 1.150 88 G CA 0.067 45.121 45.100 -0.076 0.000 0.923 88 G HN 0.931 nan 8.290 nan 0.000 0.485 89 G N 0.703 109.461 108.800 -0.070 0.000 3.586 89 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.212 89 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.212 89 G C 1.946 176.803 174.900 -0.071 0.000 1.411 89 G CA 1.209 46.270 45.100 -0.065 0.000 0.898 89 G HN 2.062 nan 8.290 nan 0.000 0.575 90 T N -0.352 114.138 114.554 -0.106 0.000 3.129 90 T HA -0.293 4.057 4.350 -0.000 0.000 0.235 90 T C 1.874 176.529 174.700 -0.074 0.000 1.049 90 T CA 3.828 65.848 62.100 -0.133 0.000 1.157 90 T CB -0.920 67.834 68.868 -0.190 0.000 0.788 90 T HN 2.532 nan 8.240 nan 0.000 0.519 91 D N -0.083 120.288 120.400 -0.050 0.000 3.373 91 D HA -0.228 4.412 4.640 -0.000 0.000 0.222 91 D C 0.113 176.405 176.300 -0.013 0.000 1.053 91 D CA 1.444 55.431 54.000 -0.022 0.000 2.170 91 D CB -1.355 39.441 40.800 -0.006 0.000 1.245 91 D HN 1.128 nan 8.370 nan 0.000 0.532 92 V N 1.908 121.819 119.914 -0.005 0.000 2.368 92 V HA 0.548 4.668 4.120 -0.000 0.000 0.266 92 V C -2.184 173.898 176.094 -0.020 0.000 1.045 92 V CA -1.405 60.904 62.300 0.016 0.000 0.899 92 V CB 0.617 32.484 31.823 0.074 0.000 1.006 92 V HN 0.274 nan 8.190 nan 0.000 0.470 93 P HA 0.026 nan 4.420 nan 0.000 0.263 93 P C 0.133 177.404 177.300 -0.049 0.000 1.145 93 P CA 0.942 64.027 63.100 -0.024 0.000 0.755 93 P CB 0.167 31.869 31.700 0.003 0.000 0.746 94 G N 2.579 111.329 108.800 -0.083 0.000 2.473 94 G HA2 0.666 4.626 3.960 -0.000 0.000 0.321 94 G HA3 0.666 4.626 3.960 -0.000 0.000 0.321 94 G C -1.516 173.355 174.900 -0.048 0.000 1.200 94 G CA -0.570 44.447 45.100 -0.140 0.000 0.963 94 G HN 0.408 nan 8.290 nan 0.000 0.483 95 L N 1.000 122.193 121.223 -0.050 0.000 2.365 95 L HA 0.646 4.986 4.340 -0.000 0.000 0.273 95 L C -0.154 176.680 176.870 -0.060 0.000 1.000 95 L CA -0.617 54.261 54.840 0.063 0.000 0.819 95 L CB 2.392 44.577 42.059 0.209 0.000 1.284 95 L HN 0.705 nan 8.230 nan 0.000 0.418 96 T N -0.721 113.896 114.554 0.105 0.000 2.883 96 T HA 0.782 5.132 4.350 -0.000 0.000 0.296 96 T C -1.383 173.558 174.700 0.402 0.000 1.117 96 T CA -0.719 61.424 62.100 0.070 0.000 1.006 96 T CB 2.313 71.300 68.868 0.199 0.000 1.191 96 T HN 0.648 nan 8.240 nan 0.000 0.508 97 W N 1.013 122.499 121.300 0.310 0.000 3.546 97 W HA 0.616 5.276 4.660 -0.000 0.000 0.291 97 W C -2.809 173.854 176.519 0.239 0.000 1.199 97 W CA -1.535 55.954 57.345 0.239 0.000 1.159 97 W CB -0.080 29.476 29.460 0.159 0.000 1.333 97 W HN 0.953 nan 8.180 nan 0.000 0.570 98 L N 1.485 122.959 121.223 0.418 0.000 2.672 98 L HA 0.842 5.182 4.340 -0.000 0.000 0.256 98 L C -1.915 175.058 176.870 0.172 0.000 0.946 98 L CA -1.177 53.795 54.840 0.220 0.000 0.889 98 L CB 1.719 43.677 42.059 -0.169 0.000 1.441 98 L HN 0.727 nan 8.230 nan 0.000 0.418 99 L N 1.623 123.007 121.223 0.269 0.000 2.327 99 L HA 0.661 5.001 4.340 -0.000 0.000 0.258 99 L C -0.306 176.779 176.870 0.360 0.000 1.024 99 L CA -1.026 54.007 54.840 0.322 0.000 0.825 99 L CB 2.348 44.670 42.059 0.439 0.000 1.386 99 L HN 0.755 nan 8.230 nan 0.000 0.417 100 R N 0.258 120.861 120.500 0.173 0.000 2.582 100 R HA 0.290 4.630 4.340 -0.000 0.000 0.271 100 R C 0.624 176.797 176.300 -0.212 0.000 1.078 100 R CA -0.811 55.287 56.100 -0.003 0.000 1.127 100 R CB 0.742 31.034 30.300 -0.014 0.000 1.038 100 R HN 0.493 nan 8.270 nan 0.000 0.500 101 R N 1.458 121.629 120.500 -0.547 0.000 2.119 101 R HA -0.166 4.174 4.340 -0.000 0.000 0.246 101 R C 1.114 177.028 176.300 -0.643 0.000 1.146 101 R CA 2.043 57.466 56.100 -1.129 0.000 0.962 101 R CB -0.644 29.175 30.300 -0.802 0.000 0.863 101 R HN 0.801 nan 8.270 nan 0.000 0.442 102 D N -1.069 119.163 120.400 -0.281 0.000 2.310 102 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 102 D C 0.872 177.204 176.300 0.052 0.000 0.965 102 D CA 0.624 54.566 54.000 -0.096 0.000 0.879 102 D CB -0.076 40.675 40.800 -0.082 0.000 0.921 102 D HN 0.021 nan 8.370 nan 0.000 0.510 103 S N 0.114 115.871 115.700 0.096 0.000 2.597 103 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 103 S C -0.121 174.787 174.600 0.513 0.000 0.955 103 S CA -0.567 57.787 58.200 0.256 0.000 0.933 103 S CB 0.088 63.440 63.200 0.253 0.000 0.788 103 S HN 0.205 nan 8.310 nan 0.000 0.488 104 W N 1.025 122.432 121.300 0.178 0.000 2.313 104 W HA 0.549 5.209 4.660 -0.000 0.000 0.328 104 W C 1.189 177.760 176.519 0.087 0.000 1.197 104 W CA -0.667 56.757 57.345 0.130 0.000 1.235 104 W CB -0.109 29.399 29.460 0.079 0.000 1.158 104 W HN 0.204 nan 8.180 nan 0.000 0.578 105 G N 1.662 110.565 108.800 0.172 0.000 2.130 105 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 105 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 105 G C 0.041 174.712 174.900 -0.382 0.000 0.999 105 G CA 0.221 45.259 45.100 -0.103 0.000 0.686 105 G HN 0.696 nan 8.290 nan 0.000 0.515 106 H N -1.103 117.767 119.070 -0.333 0.000 3.078 106 H HA 0.446 5.002 4.556 -0.000 0.000 0.263 106 H C 1.841 176.874 175.328 -0.492 0.000 1.177 106 H CA 0.359 56.065 56.048 -0.570 0.000 1.128 106 H CB 0.854 29.869 29.762 -1.244 0.000 1.623 106 H HN 1.257 nan 8.280 nan 0.000 0.592 107 G N 0.620 109.315 108.800 -0.176 0.000 2.179 107 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.257 107 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.257 107 G C 0.478 175.398 174.900 0.034 0.000 1.010 107 G CA 0.769 45.821 45.100 -0.080 0.000 0.736 107 G HN 0.332 nan 8.290 nan 0.000 0.513 108 Y N -0.074 120.235 120.300 0.014 0.000 2.130 108 Y HA 0.177 4.727 4.550 -0.000 0.000 0.287 108 Y C 3.122 178.976 175.900 -0.077 0.000 1.124 108 Y CA 1.386 59.477 58.100 -0.015 0.000 1.118 108 Y CB -1.289 37.179 38.460 0.014 0.000 0.994 108 Y HN 0.388 nan 8.280 nan 0.000 0.497 109 A N -0.363 122.499 122.820 0.070 0.000 1.940 109 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 109 A C 2.319 179.709 177.584 -0.324 0.000 1.176 109 A CA 2.426 54.368 52.037 -0.158 0.000 0.631 109 A CB -1.245 17.616 19.000 -0.231 0.000 0.814 109 A HN 0.468 nan 8.150 nan 0.000 0.446 110 T N -0.656 113.757 114.554 -0.235 0.000 2.708 110 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 110 T C 1.881 176.475 174.700 -0.176 0.000 1.037 110 T CA 1.473 63.426 62.100 -0.245 0.000 1.146 110 T CB -0.234 68.541 68.868 -0.155 0.000 0.865 110 T HN 0.681 nan 8.240 nan 0.000 0.435 111 E N 0.797 120.945 120.200 -0.087 0.000 2.051 111 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 111 E C 2.424 178.980 176.600 -0.073 0.000 0.991 111 E CA 0.986 57.355 56.400 -0.053 0.000 0.799 111 E CB -0.176 29.532 29.700 0.013 0.000 0.748 111 E HN 0.463 nan 8.360 nan 0.000 0.449 112 A N 1.020 123.798 122.820 -0.070 0.000 1.898 112 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 112 A C 2.324 179.860 177.584 -0.079 0.000 1.181 112 A CA 1.602 53.599 52.037 -0.068 0.000 0.620 112 A CB -0.576 18.409 19.000 -0.025 0.000 0.819 112 A HN 0.387 nan 8.150 nan 0.000 0.442 113 A N -0.066 122.656 122.820 -0.163 0.000 1.873 113 A HA 0.221 4.541 4.320 -0.000 0.000 0.215 113 A C 2.457 179.973 177.584 -0.114 0.000 1.186 113 A CA 1.844 53.769 52.037 -0.187 0.000 0.616 113 A CB -1.001 17.602 19.000 -0.661 0.000 0.823 113 A HN 1.068 nan 8.150 nan 0.000 0.442 114 A N -0.378 122.357 122.820 -0.141 0.000 2.070 114 A HA 0.218 4.538 4.320 -0.000 0.000 0.220 114 A C 2.322 179.871 177.584 -0.058 0.000 1.159 114 A CA 1.861 53.847 52.037 -0.085 0.000 0.656 114 A CB -0.695 18.253 19.000 -0.086 0.000 0.800 114 A HN 0.894 nan 8.150 nan 0.000 0.453 115 A N -0.538 122.236 122.820 -0.076 0.000 1.843 115 A HA 0.079 4.399 4.320 -0.000 0.000 0.213 115 A C 2.139 179.673 177.584 -0.084 0.000 1.202 115 A CA 1.454 53.434 52.037 -0.095 0.000 0.607 115 A CB -1.014 17.900 19.000 -0.145 0.000 0.847 115 A HN 0.370 nan 8.150 nan 0.000 0.445 116 V N -0.175 119.694 119.914 -0.076 0.000 2.324 116 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 116 V C 2.547 178.675 176.094 0.056 0.000 1.060 116 V CA 2.085 64.382 62.300 -0.006 0.000 1.042 116 V CB -0.848 31.085 31.823 0.183 0.000 0.650 116 V HN 0.351 nan 8.190 nan 0.000 0.450 117 V N 0.623 120.567 119.914 0.050 0.000 2.244 117 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 117 V C 2.699 178.810 176.094 0.028 0.000 1.042 117 V CA 2.227 64.557 62.300 0.049 0.000 1.006 117 V CB -1.435 30.417 31.823 0.049 0.000 0.641 117 V HN 0.591 nan 8.190 nan 0.000 0.446 118 G N -0.682 108.130 108.800 0.020 0.000 2.547 118 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.221 118 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.221 118 G C 1.484 176.425 174.900 0.068 0.000 1.140 118 G CA 1.780 46.895 45.100 0.026 0.000 0.760 118 G HN 0.679 nan 8.290 nan 0.000 0.583 119 H N 1.327 120.371 119.070 -0.043 0.000 2.284 119 H HA 0.216 4.772 4.556 -0.000 0.000 0.304 119 H C 2.690 178.033 175.328 0.025 0.000 1.069 119 H CA 1.889 57.916 56.048 -0.034 0.000 1.327 119 H CB -0.862 28.834 29.762 -0.109 0.000 1.387 119 H HN 0.251 nan 8.280 nan 0.000 0.498 120 A N 0.995 123.653 122.820 -0.269 0.000 1.958 120 A HA -0.140 4.180 4.320 -0.000 0.000 0.221 120 A C 2.124 179.644 177.584 -0.105 0.000 1.178 120 A CA 1.829 53.707 52.037 -0.264 0.000 0.642 120 A CB -0.707 18.240 19.000 -0.088 0.000 0.816 120 A HN 0.436 nan 8.150 nan 0.000 0.453 121 L N -1.378 119.827 121.223 -0.031 0.000 2.554 121 L HA 0.169 4.509 4.340 -0.000 0.000 0.226 121 L C 1.692 178.572 176.870 0.016 0.000 1.137 121 L CA 1.218 56.058 54.840 0.001 0.000 0.863 121 L CB -1.189 40.878 42.059 0.015 0.000 0.985 121 L HN 0.542 nan 8.230 nan 0.000 0.451 122 E N -0.670 119.551 120.200 0.035 0.000 3.376 122 E HA 0.015 4.365 4.350 -0.000 0.000 0.294 122 E C 1.168 177.820 176.600 0.087 0.000 0.882 122 E CA 0.016 56.452 56.400 0.060 0.000 1.130 122 E CB 0.379 30.121 29.700 0.070 0.000 2.830 122 E HN 0.181 nan 8.360 nan 0.000 0.562 123 D N 0.482 120.972 120.400 0.151 0.000 2.315 123 D HA -0.156 4.484 4.640 -0.000 0.000 0.211 123 D C 1.542 177.980 176.300 0.230 0.000 0.977 123 D CA 1.141 55.252 54.000 0.185 0.000 0.894 123 D CB -0.333 40.583 40.800 0.193 0.000 0.910 123 D HN 0.357 nan 8.370 nan 0.000 0.490 124 G N 0.202 109.088 108.800 0.144 0.000 2.551 124 G HA2 0.180 4.140 3.960 -0.000 0.000 0.216 124 G HA3 0.180 4.140 3.960 -0.000 0.000 0.216 124 G C 1.315 176.222 174.900 0.012 0.000 1.137 124 G CA 0.408 45.501 45.100 -0.012 0.000 0.798 124 G HN 0.524 nan 8.290 nan 0.000 0.536 125 G N -0.381 108.432 108.800 0.023 0.000 2.198 125 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 125 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 125 G C 0.171 175.076 174.900 0.008 0.000 1.042 125 G CA 0.281 45.394 45.100 0.022 0.000 0.791 125 G HN 0.481 nan 8.290 nan 0.000 0.502 126 L N -0.392 120.828 121.223 -0.005 0.000 2.343 126 L HA 0.423 4.763 4.340 -0.000 0.000 0.275 126 L C 1.060 177.934 176.870 0.006 0.000 1.056 126 L CA -0.793 54.045 54.840 -0.003 0.000 0.804 126 L CB 1.181 43.232 42.059 -0.013 0.000 1.203 126 L HN 0.025 nan 8.230 nan 0.000 0.440 127 D N 1.348 121.754 120.400 0.011 0.000 2.348 127 D HA 0.026 4.666 4.640 -0.000 0.000 0.211 127 D C 0.256 176.567 176.300 0.019 0.000 0.998 127 D CA 0.442 54.451 54.000 0.015 0.000 0.873 127 D CB 0.583 41.392 40.800 0.015 0.000 0.925 127 D HN 0.461 nan 8.370 nan 0.000 0.524 128 R N -0.950 119.563 120.500 0.021 0.000 3.062 128 R HA 0.167 4.507 4.340 -0.000 0.000 0.279 128 R C -1.918 174.404 176.300 0.037 0.000 1.003 128 R CA -0.661 55.457 56.100 0.031 0.000 0.872 128 R CB 0.289 30.611 30.300 0.036 0.000 1.280 128 R HN -0.179 nan 8.270 nan 0.000 0.516 129 V N -1.820 118.125 119.914 0.052 0.000 2.914 129 V HA 0.780 4.900 4.120 -0.000 0.000 0.314 129 V C -0.394 175.753 176.094 0.089 0.000 1.084 129 V CA -0.865 61.472 62.300 0.063 0.000 0.963 129 V CB 2.109 33.977 31.823 0.076 0.000 1.025 129 V HN 0.858 nan 8.190 nan 0.000 0.432 130 E N 0.894 121.150 120.200 0.093 0.000 2.343 130 E HA 0.818 5.168 4.350 -0.000 0.000 0.270 130 E C -1.040 175.640 176.600 0.133 0.000 0.895 130 E CA -0.992 55.498 56.400 0.150 0.000 0.767 130 E CB 2.392 32.224 29.700 0.220 0.000 1.248 130 E HN 1.198 nan 8.360 nan 0.000 0.440 131 A N 2.468 125.417 122.820 0.215 0.000 2.385 131 A HA 0.422 4.742 4.320 -0.000 0.000 0.290 131 A C -1.841 175.923 177.584 0.300 0.000 1.094 131 A CA -0.654 51.464 52.037 0.135 0.000 0.729 131 A CB 0.494 19.555 19.000 0.101 0.000 1.194 131 A HN 0.459 nan 8.150 nan 0.000 0.442 132 W N 3.114 124.348 121.300 -0.110 0.000 2.357 132 W HA 0.588 5.248 4.660 -0.000 0.000 0.317 132 W C -0.440 176.008 176.519 -0.118 0.000 1.101 132 W CA -0.959 56.337 57.345 -0.083 0.000 1.380 132 W CB 0.286 29.716 29.460 -0.050 0.000 1.266 132 W HN 0.381 nan 8.180 nan 0.000 0.419 133 I N 1.937 122.551 120.570 0.074 0.000 2.433 133 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 133 I C 0.477 176.565 176.117 -0.049 0.000 1.001 133 I CA -1.231 60.050 61.300 -0.032 0.000 1.119 133 I CB 1.871 39.823 38.000 -0.079 0.000 1.289 133 I HN 0.239 nan 8.210 nan 0.000 0.438 134 E N 3.710 123.868 120.200 -0.069 0.000 2.442 134 E HA 0.069 4.419 4.350 -0.000 0.000 0.262 134 E C 1.096 177.591 176.600 -0.175 0.000 1.004 134 E CA 0.390 56.748 56.400 -0.070 0.000 0.928 134 E CB 1.134 30.813 29.700 -0.034 0.000 0.937 134 E HN 0.749 nan 8.360 nan 0.000 0.446 135 A N 3.964 126.729 122.820 -0.092 0.000 1.927 135 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 135 A C 2.000 179.481 177.584 -0.171 0.000 1.185 135 A CA 2.109 54.085 52.037 -0.102 0.000 0.639 135 A CB -1.130 17.847 19.000 -0.038 0.000 0.820 135 A HN 0.827 nan 8.150 nan 0.000 0.451 136 G N -0.651 108.021 108.800 -0.215 0.000 2.422 136 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 136 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 136 G C 0.957 175.454 174.900 -0.671 0.000 1.140 136 G CA 0.535 45.471 45.100 -0.274 0.000 0.775 136 G HN 0.476 nan 8.290 nan 0.000 0.545 137 N N 1.113 119.110 118.700 -1.172 0.000 2.874 137 N HA -0.009 4.731 4.740 -0.000 0.000 0.316 137 N C 1.725 176.946 175.510 -0.482 0.000 1.205 137 N CA -0.098 52.267 53.050 -1.143 0.000 1.180 137 N CB -0.189 37.672 38.487 -1.042 0.000 1.450 137 N HN 0.394 nan 8.380 nan 0.000 0.528 138 R N 1.518 121.833 120.500 -0.309 0.000 2.091 138 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 138 R C 1.487 177.711 176.300 -0.127 0.000 1.136 138 R CA 1.136 57.143 56.100 -0.156 0.000 0.959 138 R CB 0.148 30.399 30.300 -0.081 0.000 0.856 138 R HN 0.370 nan 8.270 nan 0.000 0.437 139 R N -0.222 120.190 120.500 -0.147 0.000 2.120 139 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 139 R C 2.148 178.386 176.300 -0.104 0.000 1.123 139 R CA 1.502 57.514 56.100 -0.147 0.000 0.975 139 R CB -0.828 29.332 30.300 -0.235 0.000 0.866 139 R HN 0.161 nan 8.270 nan 0.000 0.446 140 S N 0.826 116.481 115.700 -0.076 0.000 2.404 140 S HA 0.143 4.613 4.470 -0.000 0.000 0.223 140 S C 2.056 176.744 174.600 0.146 0.000 1.040 140 S CA -0.092 58.187 58.200 0.132 0.000 0.957 140 S CB -0.035 63.210 63.200 0.076 0.000 0.826 140 S HN 0.226 nan 8.310 nan 0.000 0.491 141 L N 1.354 122.578 121.223 0.002 0.000 2.127 141 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 141 L C 2.825 179.710 176.870 0.025 0.000 1.089 141 L CA 1.187 56.034 54.840 0.012 0.000 0.757 141 L CB -0.632 41.394 42.059 -0.056 0.000 0.899 141 L HN 0.413 nan 8.230 nan 0.000 0.434 142 A N -0.319 122.498 122.820 -0.005 0.000 1.873 142 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 142 A C 2.316 179.885 177.584 -0.025 0.000 1.186 142 A CA 1.683 53.705 52.037 -0.024 0.000 0.616 142 A CB -0.782 18.188 19.000 -0.050 0.000 0.823 142 A HN 0.166 nan 8.150 nan 0.000 0.442 143 V N 0.065 119.964 119.914 -0.025 0.000 2.287 143 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 143 V C 3.085 179.125 176.094 -0.091 0.000 1.053 143 V CA 2.072 64.297 62.300 -0.126 0.000 1.027 143 V CB -1.369 30.291 31.823 -0.271 0.000 0.646 143 V HN 0.624 nan 8.190 nan 0.000 0.447 144 A N 0.005 122.892 122.820 0.111 0.000 1.917 144 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 144 A C 2.421 180.049 177.584 0.073 0.000 1.182 144 A CA 2.395 54.548 52.037 0.193 0.000 0.633 144 A CB -0.849 18.340 19.000 0.316 0.000 0.819 144 A HN 0.613 nan 8.150 nan 0.000 0.448 145 A N -0.522 122.321 122.820 0.039 0.000 1.933 145 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 145 A C 2.248 179.825 177.584 -0.011 0.000 1.175 145 A CA 1.531 53.575 52.037 0.011 0.000 0.628 145 A CB -0.426 18.572 19.000 -0.003 0.000 0.814 145 A HN 0.557 nan 8.150 nan 0.000 0.444 146 R N -0.729 119.751 120.500 -0.033 0.000 2.092 146 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 146 R C 1.748 178.016 176.300 -0.053 0.000 1.119 146 R CA 1.371 57.440 56.100 -0.051 0.000 0.970 146 R CB -0.362 29.893 30.300 -0.076 0.000 0.864 146 R HN 0.380 nan 8.270 nan 0.000 0.440 147 V N -0.249 119.626 119.914 -0.065 0.000 3.305 147 V HA 0.033 4.153 4.120 -0.000 0.000 0.269 147 V C 1.336 177.421 176.094 -0.015 0.000 1.157 147 V CA 1.370 63.636 62.300 -0.057 0.000 1.157 147 V CB -0.090 31.681 31.823 -0.087 0.000 0.772 147 V HN 0.728 nan 8.190 nan 0.000 0.498 148 G N -0.053 108.746 108.800 -0.002 0.000 2.148 148 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.203 148 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.203 148 G C -0.046 174.871 174.900 0.028 0.000 0.993 148 G CA -0.258 44.848 45.100 0.009 0.000 0.661 148 G HN 0.416 nan 8.290 nan 0.000 0.518 149 L N 2.246 123.497 121.223 0.047 0.000 2.290 149 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 149 L C 1.039 177.940 176.870 0.051 0.000 1.078 149 L CA 0.114 54.996 54.840 0.070 0.000 0.815 149 L CB 1.236 43.371 42.059 0.126 0.000 1.162 149 L HN 0.375 nan 8.230 nan 0.000 0.435 150 T N -1.063 113.515 114.554 0.040 0.000 2.912 150 T HA 0.294 4.644 4.350 -0.000 0.000 0.288 150 T C -0.335 174.375 174.700 0.016 0.000 1.030 150 T CA -0.949 61.163 62.100 0.020 0.000 1.020 150 T CB 1.946 70.820 68.868 0.010 0.000 1.056 150 T HN 0.579 nan 8.240 nan 0.000 0.480 151 E N 0.927 121.125 120.200 -0.003 0.000 2.328 151 E HA 0.064 4.414 4.350 -0.000 0.000 0.265 151 E C 0.595 177.181 176.600 -0.024 0.000 1.057 151 E CA -0.631 55.758 56.400 -0.020 0.000 0.916 151 E CB 0.402 30.077 29.700 -0.041 0.000 0.993 151 E HN 0.461 nan 8.360 nan 0.000 0.446 152 R N 3.043 123.529 120.500 -0.023 0.000 2.279 152 R HA 0.375 4.714 4.340 -0.000 0.000 0.195 152 R C 0.013 176.284 176.300 -0.049 0.000 0.905 152 R CA 0.601 56.687 56.100 -0.023 0.000 1.044 152 R CB 0.353 30.653 30.300 0.000 0.000 1.056 152 R HN 0.479 nan 8.270 nan 0.000 0.535 153 A N 0.203 122.976 122.820 -0.079 0.000 2.457 153 A HA 0.724 5.044 4.320 -0.000 0.000 0.305 153 A C -1.456 176.036 177.584 -0.153 0.000 1.110 153 A CA -0.681 51.290 52.037 -0.109 0.000 0.616 153 A CB 1.174 20.107 19.000 -0.112 0.000 1.371 153 A HN 0.058 nan 8.150 nan 0.000 0.525 154 R N -1.179 119.220 120.500 -0.168 0.000 2.668 154 R HA 0.678 5.018 4.340 -0.000 0.000 0.272 154 R C -1.979 174.199 176.300 -0.205 0.000 1.019 154 R CA -0.576 55.410 56.100 -0.190 0.000 0.894 154 R CB 2.045 32.263 30.300 -0.136 0.000 1.228 154 R HN 1.054 nan 8.270 nan 0.000 0.460 155 L N -0.700 120.379 121.223 -0.239 0.000 2.540 155 L HA 0.894 5.234 4.340 -0.000 0.000 0.256 155 L C -1.095 175.667 176.870 -0.179 0.000 1.001 155 L CA -1.054 53.656 54.840 -0.216 0.000 0.843 155 L CB 1.787 43.661 42.059 -0.308 0.000 1.436 155 L HN 0.589 nan 8.230 nan 0.000 0.410 156 A N 0.844 123.581 122.820 -0.139 0.000 2.290 156 A HA 0.805 5.125 4.320 -0.000 0.000 0.310 156 A C -0.418 177.060 177.584 -0.176 0.000 1.202 156 A CA -0.248 51.703 52.037 -0.143 0.000 0.837 156 A CB 1.033 19.973 19.000 -0.100 0.000 1.139 156 A HN 0.814 nan 8.150 nan 0.000 0.509 157 Q N -0.179 119.428 119.800 -0.322 0.000 2.633 157 Q HA 0.596 4.936 4.340 -0.000 0.000 0.292 157 Q C -1.676 173.974 176.000 -0.582 0.000 1.089 157 Q CA -0.751 54.826 55.803 -0.377 0.000 0.811 157 Q CB 2.073 30.608 28.738 -0.340 0.000 1.472 157 Q HN 0.914 nan 8.270 nan 0.000 0.464 158 H N 0.186 118.948 119.070 -0.513 0.000 3.240 158 H HA 0.331 4.887 4.556 -0.000 0.000 0.329 158 H C -2.043 173.251 175.328 -0.057 0.000 1.024 158 H CA -0.372 55.465 56.048 -0.352 0.000 1.487 158 H CB 0.211 29.875 29.762 -0.163 0.000 1.909 158 H HN 0.405 nan 8.280 nan 0.000 0.465 159 Y N 5.718 125.812 120.300 -0.344 0.000 2.310 159 Y HA 0.243 4.793 4.550 -0.000 0.000 0.326 159 Y C -1.504 173.963 175.900 -0.721 0.000 1.151 159 Y CA -2.760 55.087 58.100 -0.422 0.000 1.195 159 Y CB 0.688 38.910 38.460 -0.397 0.000 1.210 159 Y HN 0.556 nan 8.280 nan 0.000 0.483 160 P HA -0.215 nan 4.420 nan 0.000 0.213 160 P C 1.191 178.435 177.300 -0.095 0.000 1.170 160 P CA 2.415 65.408 63.100 -0.178 0.000 0.902 160 P CB -0.070 31.623 31.700 -0.011 0.000 0.789 161 H N -1.929 117.168 119.070 0.046 0.000 2.541 161 H HA 0.023 4.579 4.556 -0.000 0.000 0.289 161 H C 0.554 175.937 175.328 0.091 0.000 1.054 161 H CA 0.489 56.578 56.048 0.068 0.000 1.250 161 H CB -0.701 29.102 29.762 0.070 0.000 1.369 161 H HN -0.093 nan 8.280 nan 0.000 0.578 162 R N 1.162 121.526 120.500 -0.227 0.000 2.410 162 R HA 0.131 4.471 4.340 -0.000 0.000 0.288 162 R C -1.742 174.622 176.300 0.108 0.000 1.051 162 R CA -2.248 53.837 56.100 -0.025 0.000 1.021 162 R CB 0.483 30.762 30.300 -0.035 0.000 1.032 162 R HN 0.266 nan 8.270 nan 0.000 0.481 163 P HA 0.037 nan 4.420 nan 0.000 0.225 163 P C 0.192 177.590 177.300 0.163 0.000 1.156 163 P CA 0.687 63.867 63.100 0.133 0.000 0.787 163 P CB 0.494 32.248 31.700 0.091 0.000 0.802 164 G N -1.121 107.795 108.800 0.194 0.000 2.687 164 G HA2 0.507 4.467 3.960 -0.000 0.000 0.291 164 G HA3 0.507 4.467 3.960 -0.000 0.000 0.291 164 G C -3.252 171.796 174.900 0.248 0.000 1.420 164 G CA -1.316 43.871 45.100 0.145 0.000 0.796 164 G HN -0.283 nan 8.290 nan 0.000 0.485 165 P HA 0.262 nan 4.420 nan 0.000 0.274 165 P C -1.040 176.257 177.300 -0.005 0.000 1.260 165 P CA 0.093 63.174 63.100 -0.031 0.000 0.793 165 P CB 0.798 32.418 31.700 -0.133 0.000 1.048 166 H N -2.999 116.047 119.070 -0.041 0.000 3.064 166 H HA 0.378 4.934 4.556 -0.000 0.000 0.352 166 H C -1.154 174.139 175.328 -0.059 0.000 1.260 166 H CA -0.863 55.163 56.048 -0.037 0.000 1.160 166 H CB 0.908 30.648 29.762 -0.037 0.000 1.879 166 H HN 0.368 nan 8.280 nan 0.000 0.544 167 E N 1.973 122.237 120.200 0.106 0.000 2.344 167 E HA 0.198 4.548 4.350 -0.000 0.000 0.270 167 E C -0.629 176.002 176.600 0.052 0.000 1.021 167 E CA -0.480 55.934 56.400 0.024 0.000 0.887 167 E CB 0.574 30.279 29.700 0.008 0.000 0.997 167 E HN 0.295 nan 8.360 nan 0.000 0.429 168 M N 4.026 123.604 119.600 -0.036 0.000 2.364 168 M HA 0.304 4.784 4.480 -0.000 0.000 0.334 168 M C -1.234 174.977 176.300 -0.148 0.000 1.107 168 M CA -1.073 54.195 55.300 -0.053 0.000 0.988 168 M CB 1.708 34.253 32.600 -0.092 0.000 1.673 168 M HN 0.275 nan 8.290 nan 0.000 0.441 169 V N 4.195 124.041 119.914 -0.113 0.000 2.350 169 V HA 0.379 4.499 4.120 -0.000 0.000 0.276 169 V C -0.051 175.959 176.094 -0.141 0.000 1.028 169 V CA -0.837 61.387 62.300 -0.127 0.000 0.860 169 V CB 1.410 33.186 31.823 -0.079 0.000 0.990 169 V HN 0.570 nan 8.190 nan 0.000 0.453 170 V N 7.393 127.178 119.914 -0.216 0.000 2.353 170 V HA 0.354 4.474 4.120 -0.000 0.000 0.264 170 V C 0.028 176.110 176.094 -0.020 0.000 1.049 170 V CA -0.086 62.105 62.300 -0.181 0.000 0.896 170 V CB 0.825 32.433 31.823 -0.358 0.000 1.025 170 V HN 0.617 nan 8.190 nan 0.000 0.475 171 L N 4.167 125.432 121.223 0.070 0.000 2.352 171 L HA 0.990 5.330 4.340 -0.000 0.000 0.269 171 L C 0.639 177.576 176.870 0.111 0.000 1.034 171 L CA 0.132 55.017 54.840 0.075 0.000 0.806 171 L CB 1.863 43.975 42.059 0.088 0.000 1.244 171 L HN 0.720 nan 8.230 nan 0.000 0.447 172 G N 0.492 109.344 108.800 0.086 0.000 2.632 172 G HA2 0.484 4.444 3.960 -0.000 0.000 0.292 172 G HA3 0.484 4.444 3.960 -0.000 0.000 0.292 172 G C -2.083 172.858 174.900 0.067 0.000 1.465 172 G CA -0.564 44.590 45.100 0.090 0.000 0.824 172 G HN 0.357 nan 8.290 nan 0.000 0.509 173 K N 0.109 120.549 120.400 0.067 0.000 2.471 173 K HA 0.685 5.005 4.320 -0.000 0.000 0.252 173 K C -0.675 175.950 176.600 0.043 0.000 0.938 173 K CA -0.687 55.630 56.287 0.049 0.000 0.796 173 K CB 1.923 34.453 32.500 0.050 0.000 1.161 173 K HN 0.781 nan 8.250 nan 0.000 0.425 174 A N 3.590 126.429 122.820 0.033 0.000 2.271 174 A HA 0.294 4.614 4.320 -0.000 0.000 0.317 174 A C 0.685 178.282 177.584 0.023 0.000 1.245 174 A CA -0.754 51.299 52.037 0.028 0.000 0.857 174 A CB 0.734 19.749 19.000 0.025 0.000 1.175 174 A HN 0.987 nan 8.150 nan 0.000 0.512 175 R N 2.468 122.981 120.500 0.021 0.000 2.115 175 R HA 0.100 4.440 4.340 -0.000 0.000 0.230 175 R C 1.156 177.466 176.300 0.016 0.000 1.111 175 R CA 1.476 57.587 56.100 0.018 0.000 0.976 175 R CB -0.586 29.724 30.300 0.018 0.000 0.870 175 R HN 0.617 nan 8.270 nan 0.000 0.445 176 A N 1.074 123.904 122.820 0.016 0.000 2.791 176 A HA 0.242 4.562 4.320 -0.000 0.000 0.212 176 A C 0.358 177.950 177.584 0.013 0.000 1.976 176 A CA 0.575 52.620 52.037 0.014 0.000 0.920 176 A CB 0.004 19.013 19.000 0.014 0.000 1.800 176 A HN 0.328 nan 8.150 nan 0.000 0.773 177 E N -1.630 118.577 120.200 0.012 0.000 3.086 177 E HA 0.140 4.490 4.350 -0.000 0.000 0.194 177 E C -1.480 175.126 176.600 0.009 0.000 1.026 177 E CA -0.094 56.312 56.400 0.011 0.000 1.394 177 E CB -0.975 28.731 29.700 0.009 0.000 1.066 177 E HN 0.487 nan 8.360 nan 0.000 0.377 178 E N 1.129 121.335 120.200 0.010 0.000 2.924 178 E HA -0.029 4.321 4.350 -0.000 0.000 0.236 178 E C -1.534 175.071 176.600 0.008 0.000 1.028 178 E CA -0.318 56.087 56.400 0.009 0.000 0.952 178 E CB 0.123 29.828 29.700 0.010 0.000 0.918 178 E HN 0.270 nan 8.360 nan 0.000 0.536 179 P HA -0.054 nan 4.420 nan 0.000 0.218 179 P C -0.297 177.006 177.300 0.006 0.000 1.152 179 P CA 0.543 63.647 63.100 0.006 0.000 0.826 179 P CB 0.404 32.108 31.700 0.006 0.000 0.790 180 L N -0.830 120.396 121.223 0.006 0.000 2.334 180 L HA 0.616 4.956 4.340 -0.000 0.000 0.277 180 L C 0.474 177.347 176.870 0.006 0.000 1.075 180 L CA 0.325 55.169 54.840 0.006 0.000 0.804 180 L CB 0.577 42.639 42.059 0.006 0.000 1.174 180 L HN -0.135 nan 8.230 nan 0.000 0.438 181 T N 0.367 114.924 114.554 0.005 0.000 2.907 181 T HA 0.378 4.728 4.350 -0.000 0.000 0.344 181 T C -1.047 173.655 174.700 0.004 0.000 1.675 181 T CA -0.575 61.528 62.100 0.004 0.000 1.076 181 T CB 0.994 69.864 68.868 0.004 0.000 1.483 181 T HN 0.593 nan 8.240 nan 0.000 0.487 182 T N 3.973 118.529 114.554 0.003 0.000 2.817 182 T HA 0.443 4.792 4.350 -0.000 0.000 0.293 182 T C 1.484 176.184 174.700 -0.000 0.000 0.964 182 T CA -0.597 61.504 62.100 0.002 0.000 1.085 182 T CB 0.859 69.728 68.868 0.002 0.000 0.921 182 T HN 0.457 nan 8.240 nan 0.000 0.502 183 L N 1.214 122.437 121.223 -0.000 0.000 2.463 183 L HA 0.498 4.838 4.340 -0.000 0.000 0.219 183 L C 1.075 177.942 176.870 -0.005 0.000 1.088 183 L CA 0.054 54.892 54.840 -0.003 0.000 0.849 183 L CB 0.056 42.114 42.059 -0.002 0.000 1.012 183 L HN 0.815 nan 8.230 nan 0.000 0.468 184 A N -0.653 122.166 122.820 -0.002 0.000 2.594 184 A HA 0.616 4.936 4.320 -0.000 0.000 0.296 184 A C -1.535 176.050 177.584 0.001 0.000 1.056 184 A CA -0.410 51.625 52.037 -0.003 0.000 0.693 184 A CB 1.330 20.325 19.000 -0.008 0.000 1.278 184 A HN -0.238 nan 8.150 nan 0.000 0.408 185 V N 2.106 122.022 119.914 0.003 0.000 2.444 185 V HA 0.518 4.638 4.120 -0.000 0.000 0.294 185 V C -0.673 175.428 176.094 0.013 0.000 1.022 185 V CA -0.127 62.178 62.300 0.008 0.000 0.850 185 V CB 1.294 33.121 31.823 0.006 0.000 0.992 185 V HN 0.646 nan 8.190 nan 0.000 0.426 186 I N 4.240 124.819 120.570 0.016 0.000 2.390 186 I HA 0.316 4.486 4.170 -0.000 0.000 0.283 186 I C 0.561 176.702 176.117 0.041 0.000 1.016 186 I CA -0.209 61.105 61.300 0.023 0.000 1.151 186 I CB 1.897 39.891 38.000 -0.011 0.000 1.293 186 I HN 0.663 nan 8.210 nan 0.000 0.458 187 T N 3.748 118.332 114.554 0.050 0.000 2.899 187 T HA 0.232 4.582 4.350 -0.000 0.000 0.295 187 T C -0.166 174.555 174.700 0.036 0.000 1.033 187 T CA -0.275 61.839 62.100 0.023 0.000 1.084 187 T CB 1.197 70.049 68.868 -0.026 0.000 0.979 187 T HN 0.633 nan 8.240 nan 0.000 0.532 188 E N 2.920 123.131 120.200 0.018 0.000 2.133 188 E HA 0.391 4.741 4.350 -0.000 0.000 0.274 188 E C -0.868 175.696 176.600 -0.059 0.000 0.930 188 E CA -0.613 55.811 56.400 0.040 0.000 0.770 188 E CB 0.733 30.501 29.700 0.112 0.000 1.104 188 E HN 0.625 nan 8.360 nan 0.000 0.403 189 L N 7.343 128.510 121.223 -0.092 0.000 2.272 189 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 189 L C -2.034 174.805 176.870 -0.052 0.000 1.045 189 L CA -2.171 52.511 54.840 -0.265 0.000 0.842 189 L CB 1.022 42.842 42.059 -0.397 0.000 1.224 189 L HN 0.370 nan 8.230 nan 0.000 0.430 190 P HA -0.018 nan 4.420 nan 0.000 0.263 190 P C -0.292 177.169 177.300 0.268 0.000 1.345 190 P CA 0.375 63.565 63.100 0.150 0.000 1.119 190 P CB 0.922 32.705 31.700 0.139 0.000 1.363 191 V N 5.416 125.444 119.914 0.190 0.000 2.547 191 V HA 0.234 4.354 4.120 -0.000 0.000 0.299 191 V C 1.783 177.937 176.094 0.100 0.000 1.040 191 V CA -0.640 61.759 62.300 0.165 0.000 0.913 191 V CB 1.771 33.683 31.823 0.149 0.000 0.992 191 V HN 0.346 nan 8.190 nan 0.000 0.449 192 R N 2.287 122.824 120.500 0.062 0.000 2.115 192 R HA 0.010 4.350 4.340 -0.000 0.000 0.230 192 R C 0.238 176.565 176.300 0.046 0.000 1.111 192 R CA 0.946 57.072 56.100 0.044 0.000 0.976 192 R CB 0.074 30.386 30.300 0.019 0.000 0.870 192 R HN 0.746 nan 8.270 nan 0.000 0.445 193 D N 0.200 120.629 120.400 0.049 0.000 2.378 193 D HA 0.074 4.714 4.640 -0.000 0.000 0.265 193 D C 1.098 177.431 176.300 0.055 0.000 1.229 193 D CA -0.209 53.818 54.000 0.045 0.000 0.914 193 D CB 0.985 41.805 40.800 0.033 0.000 1.140 193 D HN -0.287 nan 8.370 nan 0.000 0.516 194 V N 2.972 122.924 119.914 0.063 0.000 2.252 194 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 194 V C 2.731 178.854 176.094 0.050 0.000 1.056 194 V CA 2.351 64.691 62.300 0.066 0.000 1.022 194 V CB -1.010 30.858 31.823 0.074 0.000 0.641 194 V HN 0.607 nan 8.190 nan 0.000 0.445 195 A N 0.060 122.905 122.820 0.042 0.000 1.927 195 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 195 A C 2.370 179.970 177.584 0.027 0.000 1.185 195 A CA 2.924 54.979 52.037 0.030 0.000 0.639 195 A CB -0.871 18.144 19.000 0.026 0.000 0.820 195 A HN 0.685 nan 8.150 nan 0.000 0.451 196 A N -1.742 121.096 122.820 0.030 0.000 1.935 196 A HA 0.065 4.385 4.320 -0.000 0.000 0.214 196 A C 2.238 179.844 177.584 0.036 0.000 1.178 196 A CA 1.883 53.936 52.037 0.027 0.000 0.640 196 A CB -1.076 17.939 19.000 0.024 0.000 0.825 196 A HN 0.432 nan 8.150 nan 0.000 0.447 197 T N 0.926 115.510 114.554 0.050 0.000 2.759 197 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 197 T C 1.736 176.479 174.700 0.071 0.000 1.042 197 T CA 1.630 63.772 62.100 0.071 0.000 1.140 197 T CB -0.425 68.501 68.868 0.096 0.000 0.864 197 T HN 0.338 nan 8.240 nan 0.000 0.455 198 L N 0.111 121.363 121.223 0.049 0.000 2.046 198 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 198 L C 2.827 179.705 176.870 0.013 0.000 1.077 198 L CA 1.307 56.160 54.840 0.022 0.000 0.747 198 L CB -0.399 41.663 42.059 0.004 0.000 0.896 198 L HN 0.073 nan 8.230 nan 0.000 0.432 199 R N -0.169 120.340 120.500 0.016 0.000 2.083 199 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 199 R C 2.290 178.599 176.300 0.014 0.000 1.137 199 R CA 1.437 57.543 56.100 0.009 0.000 0.951 199 R CB -0.377 29.928 30.300 0.010 0.000 0.851 199 R HN 0.245 nan 8.270 nan 0.000 0.434 200 L N -0.031 121.208 121.223 0.028 0.000 1.943 200 L HA -0.243 4.096 4.340 -0.000 0.000 0.215 200 L C 2.134 179.029 176.870 0.041 0.000 1.074 200 L CA 1.770 56.630 54.840 0.034 0.000 0.759 200 L CB -0.438 41.649 42.059 0.047 0.000 0.888 200 L HN 0.135 nan 8.230 nan 0.000 0.433 201 V N -0.416 119.538 119.914 0.066 0.000 2.380 201 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 201 V C 2.482 178.591 176.094 0.024 0.000 1.063 201 V CA 1.789 64.136 62.300 0.079 0.000 1.055 201 V CB -0.755 31.148 31.823 0.133 0.000 0.657 201 V HN 0.495 nan 8.190 nan 0.000 0.455 202 E N 0.204 120.406 120.200 0.003 0.000 2.086 202 E HA -0.296 4.054 4.350 -0.000 0.000 0.200 202 E C 2.230 178.821 176.600 -0.015 0.000 1.012 202 E CA 2.070 58.458 56.400 -0.020 0.000 0.812 202 E CB -0.148 29.541 29.700 -0.019 0.000 0.743 202 E HN 0.638 nan 8.360 nan 0.000 0.453 203 A N 0.138 122.957 122.820 -0.003 0.000 1.973 203 A HA 0.284 4.604 4.320 -0.000 0.000 0.210 203 A C 2.178 179.765 177.584 0.005 0.000 1.200 203 A CA 0.935 52.969 52.037 -0.004 0.000 0.707 203 A CB -0.030 18.966 19.000 -0.006 0.000 0.862 203 A HN 0.250 nan 8.150 nan 0.000 0.461 204 A N -0.379 122.452 122.820 0.019 0.000 1.929 204 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 204 A C 1.831 179.448 177.584 0.055 0.000 1.176 204 A CA 1.324 53.382 52.037 0.035 0.000 0.628 204 A CB -0.306 18.723 19.000 0.048 0.000 0.816 204 A HN 0.416 nan 8.150 nan 0.000 0.444 205 L N -2.196 119.058 121.223 0.051 0.000 2.731 205 L HA 0.299 4.639 4.340 -0.000 0.000 0.240 205 L C 1.413 178.293 176.870 0.016 0.000 1.120 205 L CA 0.453 55.324 54.840 0.052 0.000 0.913 205 L CB 0.167 42.273 42.059 0.079 0.000 1.213 205 L HN 0.524 nan 8.230 nan 0.000 0.515 206 G N 1.455 110.255 108.800 -0.001 0.000 2.160 206 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 206 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 206 G C 0.422 175.288 174.900 -0.056 0.000 1.022 206 G CA 0.204 45.289 45.100 -0.026 0.000 0.741 206 G HN 0.484 nan 8.290 nan 0.000 0.508 207 A N -0.746 122.034 122.820 -0.067 0.000 2.346 207 A HA 0.816 5.136 4.320 -0.000 0.000 0.252 207 A C 0.721 178.232 177.584 -0.121 0.000 1.089 207 A CA 0.456 52.418 52.037 -0.126 0.000 0.797 207 A CB 0.451 19.348 19.000 -0.173 0.000 1.047 207 A HN 0.658 nan 8.150 nan 0.000 0.494 208 R N -0.564 119.845 120.500 -0.151 0.000 2.686 208 R HA 0.524 4.864 4.340 -0.000 0.000 0.286 208 R C -0.496 175.722 176.300 -0.138 0.000 0.969 208 R CA -0.413 55.609 56.100 -0.129 0.000 0.898 208 R CB 2.101 32.320 30.300 -0.136 0.000 1.183 208 R HN 0.766 nan 8.270 nan 0.000 0.456 209 T N 0.364 114.859 114.554 -0.099 0.000 2.788 209 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 209 T C 0.639 175.300 174.700 -0.066 0.000 1.007 209 T CA 0.168 62.218 62.100 -0.083 0.000 1.005 209 T CB 1.543 70.385 68.868 -0.043 0.000 1.012 209 T HN 0.741 nan 8.240 nan 0.000 0.530 210 A N -0.128 122.677 122.820 -0.025 0.000 1.626 210 A HA 0.446 4.766 4.320 -0.000 0.000 0.201 210 A C -0.196 177.536 177.584 0.246 0.000 1.920 210 A CA -0.167 51.895 52.037 0.042 0.000 1.499 210 A CB 0.272 19.239 19.000 -0.056 0.000 1.498 210 A HN 0.528 nan 8.150 nan 0.000 0.333 211 F N -0.354 119.538 119.950 -0.097 0.000 2.457 211 F HA 0.739 5.266 4.527 -0.000 0.000 0.330 211 F C 0.820 176.581 175.800 -0.065 0.000 1.069 211 F CA -0.814 57.138 58.000 -0.081 0.000 1.009 211 F CB 2.000 40.901 39.000 -0.165 0.000 1.276 211 F HN 0.399 nan 8.300 nan 0.000 0.492 212 A N 1.890 124.764 122.820 0.090 0.000 2.331 212 A HA 0.229 4.549 4.320 -0.000 0.000 0.222 212 A C -0.564 177.036 177.584 0.026 0.000 2.613 212 A CA -0.461 51.605 52.037 0.049 0.000 1.791 212 A CB -1.239 17.780 19.000 0.031 0.000 0.519 212 A HN 0.487 nan 8.150 nan 0.000 0.763 213 I N 1.766 122.355 120.570 0.031 0.000 2.662 213 I HA 0.348 4.518 4.170 -0.000 0.000 0.285 213 I C 1.180 177.331 176.117 0.057 0.000 1.161 213 I CA 1.873 63.189 61.300 0.027 0.000 1.415 213 I CB 0.362 38.396 38.000 0.056 0.000 1.385 213 I HN 0.899 nan 8.210 nan 0.000 0.552 214 G N 5.139 113.953 108.800 0.024 0.000 2.675 214 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.686 214 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.686 214 G C -1.222 173.693 174.900 0.024 0.000 1.215 214 G CA -0.803 44.313 45.100 0.027 0.000 0.777 214 G HN 0.782 nan 8.290 nan 0.000 0.638 215 D N 1.530 121.941 120.400 0.018 0.000 2.469 215 D HA 0.636 5.275 4.640 -0.000 0.000 0.251 215 D C -1.022 175.288 176.300 0.017 0.000 1.173 215 D CA -1.034 52.975 54.000 0.016 0.000 0.882 215 D CB 1.145 41.950 40.800 0.009 0.000 1.129 215 D HN 0.489 nan 8.370 nan 0.000 0.549 216 P HA 0.468 nan 4.420 nan 0.000 0.278 216 P C -2.680 174.642 177.300 0.037 0.000 1.258 216 P CA -1.494 61.621 63.100 0.025 0.000 0.811 216 P CB -0.330 31.384 31.700 0.023 0.000 1.063 217 P HA -0.110 nan 4.420 nan 0.000 0.260 217 P C 0.286 177.636 177.300 0.082 0.000 1.147 217 P CA 0.876 64.012 63.100 0.061 0.000 0.758 217 P CB 0.221 31.952 31.700 0.051 0.000 0.744 218 E N 2.270 122.541 120.200 0.118 0.000 2.601 218 E HA 0.241 4.591 4.350 -0.000 0.000 0.219 218 E C -0.845 175.915 176.600 0.266 0.000 0.964 218 E CA -0.269 56.217 56.400 0.143 0.000 1.050 218 E CB 0.292 30.054 29.700 0.104 0.000 1.068 218 E HN 0.287 nan 8.360 nan 0.000 0.496 219 F N -0.031 119.959 119.950 0.067 0.000 2.652 219 F HA 0.605 5.132 4.527 -0.000 0.000 0.320 219 F C -1.807 174.090 175.800 0.161 0.000 1.115 219 F CA -0.339 57.726 58.000 0.109 0.000 1.053 219 F CB 1.047 40.107 39.000 0.099 0.000 1.297 219 F HN -0.048 nan 8.300 nan 0.000 0.471 220 A N 4.088 126.704 122.820 -0.340 0.000 2.588 220 A HA 0.763 5.082 4.320 -0.000 0.000 0.290 220 A C -1.787 175.579 177.584 -0.364 0.000 1.136 220 A CA -0.726 51.209 52.037 -0.170 0.000 0.681 220 A CB 2.012 20.986 19.000 -0.043 0.000 1.282 220 A HN 0.740 nan 8.150 nan 0.000 0.421 221 E N 0.063 120.097 120.200 -0.276 0.000 2.224 221 E HA 0.605 4.955 4.350 -0.000 0.000 0.265 221 E C -0.872 175.516 176.600 -0.353 0.000 0.878 221 E CA -0.702 55.420 56.400 -0.463 0.000 0.759 221 E CB 1.769 30.960 29.700 -0.847 0.000 1.164 221 E HN 1.007 nan 8.360 nan 0.000 0.414 222 A N 3.437 125.986 122.820 -0.451 0.000 2.341 222 A HA 0.627 4.947 4.320 -0.000 0.000 0.326 222 A C -0.141 177.121 177.584 -0.537 0.000 1.402 222 A CA -0.321 51.418 52.037 -0.496 0.000 0.957 222 A CB 0.696 19.297 19.000 -0.664 0.000 1.151 222 A HN 0.589 nan 8.150 nan 0.000 0.533 223 A N 3.090 125.703 122.820 -0.344 0.000 2.410 223 A HA 0.458 4.778 4.320 -0.000 0.000 0.292 223 A C 0.706 178.146 177.584 -0.241 0.000 1.232 223 A CA -0.335 51.540 52.037 -0.270 0.000 0.893 223 A CB -0.388 18.497 19.000 -0.190 0.000 1.131 223 A HN 0.901 nan 8.150 nan 0.000 0.530 224 L N 2.616 123.696 121.223 -0.238 0.000 2.711 224 L HA 0.041 4.381 4.340 -0.000 0.000 0.242 224 L C 0.896 177.715 176.870 -0.085 0.000 1.153 224 L CA 0.680 55.425 54.840 -0.158 0.000 0.898 224 L CB -0.886 41.104 42.059 -0.116 0.000 1.044 224 L HN 0.874 nan 8.230 nan 0.000 0.437 225 T N -5.947 108.554 114.554 -0.089 0.000 2.883 225 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 225 T C -2.295 172.302 174.700 -0.172 0.000 1.117 225 T CA -1.445 60.624 62.100 -0.052 0.000 1.006 225 T CB 2.100 71.025 68.868 0.094 0.000 1.191 225 T HN -0.305 nan 8.240 nan 0.000 0.508 226 P HA 0.144 nan 4.420 nan 0.000 0.235 226 P C -0.385 176.526 177.300 -0.650 0.000 1.177 226 P CA 0.113 62.861 63.100 -0.585 0.000 0.785 226 P CB 0.016 31.228 31.700 -0.812 0.000 0.885 227 W N 0.507 121.780 121.300 -0.045 0.000 2.218 227 W HA 0.296 4.956 4.660 -0.000 0.000 0.326 227 W C 2.031 178.523 176.519 -0.046 0.000 1.276 227 W CA -0.326 56.995 57.345 -0.040 0.000 1.210 227 W CB -0.214 29.224 29.460 -0.037 0.000 1.143 227 W HN -0.205 nan 8.180 nan 0.000 0.563 228 S N 2.079 117.893 115.700 0.191 0.000 2.401 228 S HA -0.221 4.249 4.470 -0.000 0.000 0.236 228 S C 0.834 175.471 174.600 0.063 0.000 1.058 228 S CA 1.914 60.169 58.200 0.091 0.000 1.151 228 S CB -0.475 62.781 63.200 0.093 0.000 1.049 228 S HN 0.539 nan 8.310 nan 0.000 0.432 229 A N -0.329 122.540 122.820 0.082 0.000 2.305 229 A HA 0.710 5.030 4.320 -0.000 0.000 0.322 229 A C 0.262 177.878 177.584 0.054 0.000 1.187 229 A CA 0.177 52.238 52.037 0.039 0.000 0.825 229 A CB 1.149 20.163 19.000 0.024 0.000 1.164 229 A HN 0.823 nan 8.150 nan 0.000 0.498 230 G N 1.135 109.946 108.800 0.018 0.000 2.313 230 G HA2 0.483 4.443 3.960 -0.000 0.000 0.296 230 G HA3 0.483 4.443 3.960 -0.000 0.000 0.296 230 G C -3.498 171.396 174.900 -0.011 0.000 1.356 230 G CA -0.769 44.346 45.100 0.025 0.000 0.833 230 G HN 0.539 nan 8.290 nan 0.000 0.552 231 P HA 0.293 nan 4.420 nan 0.000 0.264 231 P C -0.092 177.165 177.300 -0.071 0.000 1.183 231 P CA 0.357 63.447 63.100 -0.018 0.000 0.763 231 P CB 0.381 32.081 31.700 0.001 0.000 0.807 232 R N 1.694 122.143 120.500 -0.085 0.000 2.780 232 R HA 0.630 4.970 4.340 -0.000 0.000 0.280 232 R C -1.709 174.517 176.300 -0.122 0.000 1.016 232 R CA -0.769 55.189 56.100 -0.237 0.000 0.854 232 R CB 0.631 30.771 30.300 -0.267 0.000 1.293 232 R HN 0.375 nan 8.270 nan 0.000 0.483 233 F N -1.553 118.321 119.950 -0.126 0.000 2.668 233 F HA 0.686 5.213 4.527 -0.000 0.000 0.309 233 F C -0.875 174.819 175.800 -0.177 0.000 1.117 233 F CA -1.402 56.521 58.000 -0.128 0.000 0.951 233 F CB 1.199 40.139 39.000 -0.099 0.000 1.323 233 F HN 0.355 nan 8.300 nan 0.000 0.451 234 R N 1.712 122.277 120.500 0.108 0.000 2.536 234 R HA 0.650 4.990 4.340 -0.000 0.000 0.279 234 R C -1.534 174.793 176.300 0.044 0.000 1.001 234 R CA -0.967 55.084 56.100 -0.081 0.000 1.027 234 R CB 1.697 31.918 30.300 -0.131 0.000 1.096 234 R HN 0.488 nan 8.270 nan 0.000 0.502 235 L N 1.622 122.809 121.223 -0.059 0.000 2.325 235 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 235 L C -0.175 176.760 176.870 0.109 0.000 1.004 235 L CA -0.731 54.141 54.840 0.053 0.000 0.823 235 L CB 1.312 43.410 42.059 0.065 0.000 1.236 235 L HN 0.763 nan 8.230 nan 0.000 0.415 236 A N 3.114 126.048 122.820 0.190 0.000 2.304 236 A HA 0.820 5.140 4.320 -0.000 0.000 0.314 236 A C 0.155 177.844 177.584 0.176 0.000 1.187 236 A CA -0.527 51.677 52.037 0.278 0.000 0.810 236 A CB 1.099 20.266 19.000 0.279 0.000 1.183 236 A HN 0.793 nan 8.150 nan 0.000 0.487 237 A N 1.770 124.688 122.820 0.162 0.000 2.492 237 A HA 0.490 4.810 4.320 -0.000 0.000 0.254 237 A C 0.030 177.668 177.584 0.090 0.000 1.091 237 A CA 0.156 52.260 52.037 0.112 0.000 0.768 237 A CB 0.061 19.118 19.000 0.096 0.000 1.028 237 A HN 1.988 nan 8.150 nan 0.000 0.498 238 V N 6.015 125.976 119.914 0.077 0.000 2.569 238 V HA 0.641 4.761 4.120 -0.000 0.000 0.301 238 V C -2.436 173.685 176.094 0.045 0.000 1.044 238 V CA -1.585 60.752 62.300 0.061 0.000 0.874 238 V CB 2.096 33.961 31.823 0.070 0.000 1.002 238 V HN 0.892 nan 8.190 nan 0.000 0.424 239 P HA 0.609 nan 4.420 nan 0.000 0.346 239 P C 0.531 177.843 177.300 0.019 0.000 1.325 239 P CA 0.863 63.978 63.100 0.025 0.000 0.803 239 P CB 0.281 31.994 31.700 0.022 0.000 1.856 240 G N -0.305 108.504 108.800 0.014 0.000 2.801 240 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.244 240 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.244 240 G C -2.130 172.774 174.900 0.008 0.000 1.385 240 G CA -0.159 44.948 45.100 0.011 0.000 0.894 240 G HN 0.473 nan 8.290 nan 0.000 0.562 241 P HA 0.313 nan 4.420 nan 0.000 0.271 241 P C 0.789 178.089 177.300 0.001 0.000 1.535 241 P CA 1.215 64.316 63.100 0.002 0.000 0.820 241 P CB 0.021 31.722 31.700 0.001 0.000 1.606 242 G N 0.618 109.421 108.800 0.004 0.000 2.788 242 G HA2 0.600 4.560 3.960 -0.000 0.000 0.293 242 G HA3 0.600 4.560 3.960 -0.000 0.000 0.293 242 G C -2.936 171.964 174.900 0.001 0.000 1.305 242 G CA -1.726 43.377 45.100 0.006 0.000 1.005 242 G HN -0.134 nan 8.290 nan 0.000 0.496 243 P HA 0.189 nan 4.420 nan 0.000 0.274 243 P C 0.910 178.209 177.300 -0.001 0.000 1.256 243 P CA -0.109 63.004 63.100 0.022 0.000 0.795 243 P CB 1.582 33.326 31.700 0.072 0.000 1.038 244 V N -3.159 116.762 119.914 0.012 0.000 3.212 244 V HA 0.273 4.393 4.120 -0.000 0.000 0.244 244 V C 0.610 176.709 176.094 0.009 0.000 1.151 244 V CA 0.661 62.963 62.300 0.004 0.000 1.119 244 V CB -0.502 31.325 31.823 0.007 0.000 0.838 244 V HN 0.326 nan 8.190 nan 0.000 0.470 245 E N 3.884 124.100 120.200 0.026 0.000 2.092 245 E HA 0.427 4.776 4.350 -0.000 0.000 0.271 245 E C -2.629 174.013 176.600 0.070 0.000 0.919 245 E CA -1.810 54.611 56.400 0.035 0.000 0.760 245 E CB 1.652 31.371 29.700 0.032 0.000 1.106 245 E HN 0.465 nan 8.360 nan 0.000 0.408 246 P HA 0.115 nan 4.420 nan 0.000 0.278 246 P C -0.088 177.329 177.300 0.196 0.000 1.238 246 P CA -0.382 62.806 63.100 0.147 0.000 0.794 246 P CB 1.006 32.730 31.700 0.040 0.000 0.955 247 V N 3.614 123.737 119.914 0.347 0.000 2.732 247 V HA 0.332 4.452 4.120 -0.000 0.000 0.297 247 V C 0.987 177.089 176.094 0.014 0.000 1.060 247 V CA -0.472 61.847 62.300 0.033 0.000 1.038 247 V CB 0.467 32.139 31.823 -0.252 0.000 1.003 247 V HN 0.477 nan 8.190 nan 0.000 0.481 248 R N 3.883 124.368 120.500 -0.024 0.000 2.360 248 R HA 0.621 4.961 4.340 -0.000 0.000 0.318 248 R C -1.348 174.928 176.300 -0.040 0.000 0.950 248 R CA -0.457 55.633 56.100 -0.017 0.000 0.837 248 R CB 1.626 31.925 30.300 -0.001 0.000 1.165 248 R HN 0.589 nan 8.270 nan 0.000 0.458 249 L N 2.507 123.699 121.223 -0.051 0.000 2.365 249 L HA 0.390 4.730 4.340 -0.000 0.000 0.273 249 L C -0.501 176.377 176.870 0.013 0.000 1.000 249 L CA -0.969 53.842 54.840 -0.049 0.000 0.819 249 L CB 2.035 44.006 42.059 -0.146 0.000 1.284 249 L HN 0.550 nan 8.230 nan 0.000 0.418 250 H N 3.991 123.025 119.070 -0.060 0.000 2.551 250 H HA 0.495 5.051 4.556 -0.000 0.000 0.321 250 H C -1.157 174.148 175.328 -0.038 0.000 1.028 250 H CA -0.389 55.629 56.048 -0.049 0.000 1.215 250 H CB 0.876 30.608 29.762 -0.049 0.000 1.414 250 H HN 0.372 nan 8.280 nan 0.000 0.480 251 L N 4.853 125.900 121.223 -0.294 0.000 2.276 251 L HA 0.309 4.649 4.340 -0.000 0.000 0.286 251 L C -0.416 176.291 176.870 -0.271 0.000 1.024 251 L CA -0.907 53.820 54.840 -0.188 0.000 0.826 251 L CB 1.110 43.100 42.059 -0.116 0.000 1.211 251 L HN 0.601 nan 8.230 nan 0.000 0.422 252 D N 3.331 123.650 120.400 -0.135 0.000 2.325 252 D HA 0.472 5.112 4.640 -0.000 0.000 0.251 252 D C 0.090 176.352 176.300 -0.063 0.000 1.196 252 D CA 0.284 54.236 54.000 -0.080 0.000 0.866 252 D CB 1.988 42.800 40.800 0.019 0.000 1.101 252 D HN 0.621 nan 8.370 nan 0.000 0.476 253 A N 1.592 124.372 122.820 -0.067 0.000 2.309 253 A HA 0.858 5.178 4.320 -0.000 0.000 0.317 253 A C -0.732 176.838 177.584 -0.023 0.000 1.134 253 A CA -0.686 51.328 52.037 -0.038 0.000 0.866 253 A CB 1.433 20.410 19.000 -0.037 0.000 1.329 253 A HN 0.508 nan 8.150 nan 0.000 0.477 254 A N -0.626 122.189 122.820 -0.009 0.000 2.342 254 A HA 0.867 5.187 4.320 -0.000 0.000 0.323 254 A C 0.374 177.962 177.584 0.006 0.000 1.125 254 A CA 0.190 52.222 52.037 -0.007 0.000 0.785 254 A CB 0.579 19.577 19.000 -0.003 0.000 1.221 254 A HN 2.814 nan 8.150 nan 0.000 0.463 255 G N 0.349 109.149 108.800 0.000 0.000 2.462 255 G HA2 0.420 4.380 3.960 -0.000 0.000 0.685 255 G HA3 0.420 4.380 3.960 -0.000 0.000 0.685 255 G C -0.151 174.754 174.900 0.008 0.000 1.295 255 G CA -0.164 44.941 45.100 0.010 0.000 0.941 255 G HN 2.004 nan 8.290 nan 0.000 0.554 256 T N -1.204 113.358 114.554 0.014 0.000 2.910 256 T HA 0.681 5.031 4.350 -0.000 0.000 0.293 256 T C 1.765 176.501 174.700 0.061 0.000 1.015 256 T CA 0.723 62.830 62.100 0.012 0.000 1.094 256 T CB 1.617 70.484 68.868 -0.002 0.000 0.968 256 T HN 2.176 nan 8.240 nan 0.000 0.521 257 A N 2.468 125.332 122.820 0.073 0.000 1.877 257 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 257 A C 2.151 179.845 177.584 0.182 0.000 1.186 257 A CA 1.740 53.888 52.037 0.185 0.000 0.620 257 A CB -0.914 18.176 19.000 0.151 0.000 0.822 257 A HN 1.022 nan 8.150 nan 0.000 0.443 258 D N -0.322 120.110 120.400 0.053 0.000 2.117 258 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 258 D C 1.971 178.294 176.300 0.039 0.000 0.987 258 D CA 1.590 55.593 54.000 0.006 0.000 0.829 258 D CB -0.826 39.951 40.800 -0.037 0.000 0.961 258 D HN 0.308 nan 8.370 nan 0.000 0.460 259 S N 0.693 116.417 115.700 0.040 0.000 2.359 259 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 259 S C 2.252 176.881 174.600 0.048 0.000 1.039 259 S CA 1.148 59.369 58.200 0.034 0.000 1.042 259 S CB -0.427 62.793 63.200 0.034 0.000 0.915 259 S HN 0.291 nan 8.310 nan 0.000 0.439 260 L N 0.152 121.445 121.223 0.115 0.000 2.046 260 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 260 L C 2.412 179.341 176.870 0.099 0.000 1.077 260 L CA 1.724 56.683 54.840 0.198 0.000 0.747 260 L CB -0.736 41.548 42.059 0.375 0.000 0.896 260 L HN 0.388 nan 8.230 nan 0.000 0.432 261 H N 0.313 119.212 119.070 -0.285 0.000 2.289 261 H HA -0.231 4.325 4.556 -0.000 0.000 0.296 261 H C 2.426 177.498 175.328 -0.426 0.000 1.091 261 H CA 2.040 57.528 56.048 -0.934 0.000 1.274 261 H CB 0.065 29.337 29.762 -0.816 0.000 1.364 261 H HN -0.026 nan 8.280 nan 0.000 0.490 262 R N 0.262 120.633 120.500 -0.216 0.000 2.094 262 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 262 R C 2.660 178.858 176.300 -0.170 0.000 1.137 262 R CA 1.941 57.938 56.100 -0.171 0.000 0.943 262 R CB -0.413 29.855 30.300 -0.053 0.000 0.850 262 R HN 0.425 nan 8.270 nan 0.000 0.433 263 R N -0.216 120.225 120.500 -0.098 0.000 2.115 263 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 263 R C 2.037 178.295 176.300 -0.070 0.000 1.133 263 R CA 2.234 58.303 56.100 -0.052 0.000 0.935 263 R CB -0.671 29.632 30.300 0.004 0.000 0.853 263 R HN 0.296 nan 8.270 nan 0.000 0.433 264 A N 0.267 123.042 122.820 -0.076 0.000 1.908 264 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 264 A C 2.365 179.872 177.584 -0.127 0.000 1.181 264 A CA 1.952 53.960 52.037 -0.049 0.000 0.627 264 A CB -0.724 18.311 19.000 0.058 0.000 0.818 264 A HN 0.277 nan 8.150 nan 0.000 0.445 265 V N 0.757 120.509 119.914 -0.270 0.000 2.237 265 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 265 V C 2.254 178.272 176.094 -0.127 0.000 1.046 265 V CA 2.354 64.510 62.300 -0.240 0.000 1.007 265 V CB -1.096 30.523 31.823 -0.340 0.000 0.638 265 V HN 0.517 nan 8.190 nan 0.000 0.445 266 D N 1.018 121.350 120.400 -0.113 0.000 2.126 266 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 266 D C 2.127 178.399 176.300 -0.048 0.000 1.001 266 D CA 1.938 55.898 54.000 -0.067 0.000 0.841 266 D CB -0.718 40.049 40.800 -0.055 0.000 0.949 266 D HN 0.453 nan 8.370 nan 0.000 0.446 267 A N -0.238 122.556 122.820 -0.043 0.000 2.194 267 A HA 0.103 4.423 4.320 -0.000 0.000 0.220 267 A C 1.927 179.499 177.584 -0.020 0.000 1.162 267 A CA 1.992 54.014 52.037 -0.024 0.000 0.674 267 A CB -0.723 18.270 19.000 -0.012 0.000 0.789 267 A HN 0.447 nan 8.150 nan 0.000 0.470 268 G N -2.758 106.023 108.800 -0.032 0.000 2.143 268 G HA2 0.106 4.066 3.960 -0.000 0.000 0.249 268 G HA3 0.106 4.066 3.960 -0.000 0.000 0.249 268 G C 0.400 175.291 174.900 -0.016 0.000 0.981 268 G CA 0.494 45.579 45.100 -0.024 0.000 0.665 268 G HN 1.675 nan 8.290 nan 0.000 0.528 269 A N -0.119 122.692 122.820 -0.015 0.000 2.366 269 A HA 0.671 4.991 4.320 -0.000 0.000 0.249 269 A C 0.928 178.512 177.584 0.001 0.000 1.084 269 A CA -0.021 52.020 52.037 0.005 0.000 0.794 269 A CB 0.378 19.393 19.000 0.026 0.000 1.034 269 A HN 0.524 nan 8.150 nan 0.000 0.491 270 R N 2.046 122.556 120.500 0.017 0.000 2.220 270 R HA 0.398 4.738 4.340 -0.000 0.000 0.340 270 R C -1.206 175.121 176.300 0.046 0.000 1.076 270 R CA 0.059 56.172 56.100 0.020 0.000 0.920 270 R CB -0.199 30.112 30.300 0.018 0.000 1.062 270 R HN 0.473 nan 8.270 nan 0.000 0.469 271 V N 4.157 124.099 119.914 0.047 0.000 2.713 271 V HA 0.060 4.180 4.120 -0.000 0.000 0.307 271 V C 1.139 177.299 176.094 0.109 0.000 1.052 271 V CA -0.483 61.880 62.300 0.106 0.000 0.967 271 V CB 1.842 33.705 31.823 0.067 0.000 1.019 271 V HN 0.742 nan 8.190 nan 0.000 0.459 272 D N 1.220 121.708 120.400 0.147 0.000 2.336 272 D HA 0.279 4.919 4.640 -0.000 0.000 0.229 272 D C 0.555 176.921 176.300 0.111 0.000 1.061 272 D CA 0.935 55.002 54.000 0.111 0.000 0.875 272 D CB 0.452 41.317 40.800 0.107 0.000 0.904 272 D HN 0.975 nan 8.370 nan 0.000 0.525 273 G N 0.264 109.154 108.800 0.149 0.000 2.371 273 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.663 273 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.663 273 G C -2.938 172.027 174.900 0.109 0.000 1.311 273 G CA -0.689 44.484 45.100 0.122 0.000 0.985 273 G HN 0.068 nan 8.290 nan 0.000 0.566 274 P HA 0.212 nan 4.420 nan 0.000 0.270 274 P C -2.456 174.673 177.300 -0.286 0.000 1.216 274 P CA -0.476 62.289 63.100 -0.559 0.000 0.788 274 P CB -0.469 31.014 31.700 -0.362 0.000 0.883 275 P HA 0.024 nan 4.420 nan 0.000 0.271 275 P C -0.335 176.943 177.300 -0.037 0.000 1.226 275 P CA 0.212 63.304 63.100 -0.015 0.000 0.765 275 P CB 0.485 32.200 31.700 0.024 0.000 0.835 276 V N 4.113 124.026 119.914 -0.001 0.000 2.483 276 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 276 V C 0.068 176.113 176.094 -0.083 0.000 1.035 276 V CA -1.028 61.246 62.300 -0.044 0.000 0.896 276 V CB 1.601 33.404 31.823 -0.034 0.000 0.986 276 V HN 0.364 nan 8.190 nan 0.000 0.447 277 R N 4.487 124.922 120.500 -0.108 0.000 2.438 277 R HA 0.440 4.780 4.340 -0.000 0.000 0.287 277 R C -0.427 175.718 176.300 -0.258 0.000 1.077 277 R CA -0.249 55.756 56.100 -0.158 0.000 1.034 277 R CB 0.702 30.930 30.300 -0.119 0.000 0.993 277 R HN 0.769 nan 8.270 nan 0.000 0.459 278 R N 4.243 124.477 120.500 -0.442 0.000 2.732 278 R HA 0.321 4.661 4.340 -0.000 0.000 0.278 278 R C -1.542 174.345 176.300 -0.689 0.000 0.976 278 R CA -2.215 53.417 56.100 -0.781 0.000 0.963 278 R CB 0.801 30.160 30.300 -1.569 0.000 1.150 278 R HN 0.388 nan 8.270 nan 0.000 0.478 279 P HA -0.132 nan 4.420 nan 0.000 0.220 279 P C 0.546 177.846 177.300 0.001 0.000 1.144 279 P CA 1.304 64.310 63.100 -0.156 0.000 0.800 279 P CB -0.015 31.694 31.700 0.014 0.000 0.772 280 W N -1.275 120.042 121.300 0.028 0.000 3.405 280 W HA 0.572 5.232 4.660 -0.000 0.000 0.300 280 W C 0.818 177.363 176.519 0.043 0.000 1.286 280 W CA 0.093 57.457 57.345 0.031 0.000 1.762 280 W CB -0.945 28.527 29.460 0.021 0.000 1.087 280 W HN 0.081 nan 8.180 nan 0.000 0.703 281 G N 0.914 109.712 108.800 -0.003 0.000 2.131 281 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.223 281 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.223 281 G C 0.205 175.108 174.900 0.005 0.000 0.990 281 G CA -0.384 44.738 45.100 0.036 0.000 0.671 281 G HN 0.285 nan 8.290 nan 0.000 0.521 282 R N -0.439 119.997 120.500 -0.106 0.000 2.867 282 R HA 0.768 5.108 4.340 -0.000 0.000 0.268 282 R C -0.995 175.220 176.300 -0.141 0.000 1.014 282 R CA -0.703 55.367 56.100 -0.050 0.000 0.946 282 R CB 1.486 31.854 30.300 0.112 0.000 1.208 282 R HN 0.129 nan 8.270 nan 0.000 0.477 283 S N 1.185 116.843 115.700 -0.069 0.000 2.478 283 S HA 0.431 4.901 4.470 -0.000 0.000 0.312 283 S C -0.820 173.786 174.600 0.009 0.000 1.094 283 S CA -0.715 57.452 58.200 -0.056 0.000 1.081 283 S CB 1.479 64.658 63.200 -0.034 0.000 1.007 283 S HN 0.457 nan 8.310 nan 0.000 0.475 284 E N 1.803 122.019 120.200 0.026 0.000 2.429 284 E HA 0.728 5.078 4.350 -0.000 0.000 0.276 284 E C -1.275 175.422 176.600 0.162 0.000 0.953 284 E CA -0.999 55.425 56.400 0.040 0.000 0.787 284 E CB 1.646 31.348 29.700 0.004 0.000 1.307 284 E HN 0.522 nan 8.360 nan 0.000 0.458 285 F N -1.860 118.119 119.950 0.048 0.000 2.626 285 F HA 0.778 5.305 4.527 -0.000 0.000 0.311 285 F C -1.456 174.385 175.800 0.067 0.000 1.088 285 F CA -1.290 56.755 58.000 0.074 0.000 0.949 285 F CB 0.961 40.054 39.000 0.154 0.000 1.322 285 F HN 0.211 nan 8.300 nan 0.000 0.461 286 V N 3.068 123.112 119.914 0.217 0.000 2.555 286 V HA 0.480 4.600 4.120 -0.000 0.000 0.302 286 V C -0.149 176.044 176.094 0.164 0.000 1.038 286 V CA -0.756 61.600 62.300 0.094 0.000 0.887 286 V CB 1.786 33.655 31.823 0.077 0.000 0.991 286 V HN 0.719 nan 8.190 nan 0.000 0.434 287 I N 3.257 123.885 120.570 0.097 0.000 2.359 287 I HA 0.429 4.599 4.170 -0.000 0.000 0.294 287 I C 0.021 176.172 176.117 0.057 0.000 0.987 287 I CA -0.033 61.330 61.300 0.105 0.000 1.225 287 I CB 1.947 40.004 38.000 0.096 0.000 1.366 287 I HN 0.605 nan 8.210 nan 0.000 0.466 288 T N 6.718 121.303 114.554 0.051 0.000 2.788 288 T HA 0.465 4.815 4.350 -0.000 0.000 0.296 288 T C 0.016 174.725 174.700 0.016 0.000 1.009 288 T CA -0.612 61.505 62.100 0.029 0.000 0.949 288 T CB 0.670 69.553 68.868 0.024 0.000 0.946 288 T HN 0.273 nan 8.240 nan 0.000 0.453 289 L N 4.621 125.850 121.223 0.011 0.000 2.461 289 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 289 L C -1.023 175.822 176.870 -0.042 0.000 1.197 289 L CA -1.876 52.965 54.840 0.001 0.000 0.836 289 L CB 0.687 42.766 42.059 0.033 0.000 1.105 289 L HN 0.361 nan 8.230 nan 0.000 0.477 290 P HA -0.229 nan 4.420 nan 0.000 0.218 290 P C 0.837 178.086 177.300 -0.086 0.000 1.154 290 P CA 1.318 64.394 63.100 -0.040 0.000 0.872 290 P CB 0.054 31.743 31.700 -0.020 0.000 0.790 291 E N -1.554 118.556 120.200 -0.149 0.000 2.511 291 E HA 0.070 4.420 4.350 -0.000 0.000 0.196 291 E C 1.529 177.911 176.600 -0.364 0.000 1.066 291 E CA 1.019 57.265 56.400 -0.256 0.000 0.871 291 E CB -0.794 28.708 29.700 -0.331 0.000 0.863 291 E HN 0.341 nan 8.360 nan 0.000 0.520 292 G N 1.298 109.936 108.800 -0.270 0.000 2.259 292 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 292 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 292 G C 0.165 174.984 174.900 -0.135 0.000 1.001 292 G CA -0.124 44.862 45.100 -0.190 0.000 0.627 292 G HN 0.385 nan 8.290 nan 0.000 0.501 293 H N 2.051 121.100 119.070 -0.034 0.000 2.972 293 H HA 0.336 4.892 4.556 -0.000 0.000 0.343 293 H C 0.363 175.660 175.328 -0.052 0.000 1.054 293 H CA 0.728 56.742 56.048 -0.057 0.000 1.412 293 H CB 0.427 30.133 29.762 -0.094 0.000 1.385 293 H HN 0.552 nan 8.280 nan 0.000 0.600 294 E N 3.650 123.894 120.200 0.074 0.000 2.114 294 E HA 0.278 4.627 4.350 -0.000 0.000 0.266 294 E C -0.221 176.375 176.600 -0.007 0.000 0.896 294 E CA -0.521 55.896 56.400 0.029 0.000 0.750 294 E CB 1.521 31.241 29.700 0.032 0.000 1.121 294 E HN 0.353 nan 8.360 nan 0.000 0.413 295 L N 2.976 124.184 121.223 -0.025 0.000 2.259 295 L HA 0.287 4.627 4.340 -0.000 0.000 0.288 295 L C 0.132 176.948 176.870 -0.091 0.000 1.051 295 L CA -0.421 54.379 54.840 -0.067 0.000 0.824 295 L CB 0.790 42.807 42.059 -0.070 0.000 1.206 295 L HN 0.360 nan 8.230 nan 0.000 0.429 296 T N 2.985 117.476 114.554 -0.105 0.000 2.728 296 T HA 0.274 4.624 4.350 -0.000 0.000 0.296 296 T C 0.224 174.709 174.700 -0.357 0.000 0.940 296 T CA -0.247 61.754 62.100 -0.165 0.000 1.013 296 T CB 1.316 70.182 68.868 -0.004 0.000 0.912 296 T HN 0.186 nan 8.240 nan 0.000 0.484 297 V N 4.224 123.793 119.914 -0.576 0.000 2.368 297 V HA 0.385 4.505 4.120 -0.000 0.000 0.266 297 V C 0.438 176.206 176.094 -0.543 0.000 1.045 297 V CA -0.418 61.496 62.300 -0.643 0.000 0.899 297 V CB 1.233 32.490 31.823 -0.943 0.000 1.006 297 V HN 0.852 nan 8.190 nan 0.000 0.470 298 S N 4.300 119.773 115.700 -0.378 0.000 2.449 298 S HA 0.851 5.321 4.470 -0.000 0.000 0.310 298 S C -0.216 174.331 174.600 -0.088 0.000 1.096 298 S CA -0.131 57.958 58.200 -0.185 0.000 1.095 298 S CB 1.167 64.290 63.200 -0.129 0.000 1.007 298 S HN 1.029 nan 8.310 nan 0.000 0.474 299 A N 5.539 128.343 122.820 -0.027 0.000 2.413 299 A HA 0.811 5.131 4.320 -0.000 0.000 0.307 299 A C -2.076 175.499 177.584 -0.014 0.000 1.087 299 A CA -1.726 50.304 52.037 -0.012 0.000 0.750 299 A CB 1.078 20.084 19.000 0.009 0.000 1.296 299 A HN 0.589 nan 8.150 nan 0.000 0.423 300 P HA -0.071 nan 4.420 nan 0.000 0.220 300 P C 0.435 177.668 177.300 -0.112 0.000 1.144 300 P CA 2.319 65.387 63.100 -0.054 0.000 0.800 300 P CB -0.350 31.303 31.700 -0.078 0.000 0.772 301 V N 0.000 119.848 119.914 -0.110 0.000 2.409 301 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 301 V CA 0.000 62.219 62.300 -0.136 0.000 1.235 301 V CB 0.000 31.672 31.823 -0.251 0.000 1.184 301 V HN 0.000 nan 8.190 nan 0.000 0.556