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 1yl3_1_V DATA FIRST_RESID 1 DATA SEQUENCE MELTAKPRTP KQKLDESMIA AVAYNKENNV SFALDRKAFD RAFRQQSTTG DATA SEQUENCE LFDITVEGGE TFPALVKAVQ MDKRKRAPIH VDFYMVTYGE PVEVSVPVHT DATA SEQUENCE TGRSQGEVQG GLVDIVVHNL QIVAPGPRRI PQELVVDVTK MNIGDHITAG DATA SEQUENCE DIKLPEGCTL AADPELTVVS VLPPRLT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.377 176.300 0.128 0.000 1.140 1 M CA 0.000 55.399 55.300 0.165 0.000 0.988 1 M CB 0.000 32.685 32.600 0.141 0.000 1.302 2 E N 1.436 121.685 120.200 0.082 0.000 3.869 2 E HA -0.257 4.093 4.350 0.000 0.000 0.266 2 E C -0.577 176.058 176.600 0.059 0.000 1.286 2 E CA 2.271 58.705 56.400 0.056 0.000 2.002 2 E CB -0.800 28.925 29.700 0.040 0.000 1.775 2 E HN 0.896 nan 8.360 nan 0.000 0.302 3 L N 0.891 122.155 121.223 0.067 0.000 4.060 3 L HA -0.259 4.081 4.340 0.000 0.000 0.541 3 L C 0.546 177.437 176.870 0.035 0.000 1.003 3 L CA 1.370 56.248 54.840 0.065 0.000 0.846 3 L CB -1.269 40.842 42.059 0.086 0.000 0.540 3 L HN 0.733 nan 8.230 nan 0.000 0.964 4 T N 0.272 114.842 114.554 0.028 0.000 2.696 4 T HA 0.951 5.301 4.350 0.000 0.000 0.291 4 T C -0.046 174.675 174.700 0.035 0.000 1.095 4 T CA -0.324 61.792 62.100 0.026 0.000 1.026 4 T CB 2.252 71.131 68.868 0.018 0.000 1.390 4 T HN 2.259 nan 8.240 nan 0.000 0.513 5 A N 0.394 123.239 122.820 0.041 0.000 2.436 5 A HA 0.408 4.728 4.320 0.000 0.000 0.686 5 A C 0.010 177.650 177.584 0.093 0.000 0.139 5 A CA 0.314 52.386 52.037 0.059 0.000 0.025 5 A CB -1.450 17.582 19.000 0.054 0.000 3.974 5 A HN 2.446 nan 8.150 nan 0.000 0.548 6 K N -1.580 118.890 120.400 0.116 0.000 3.487 6 K HA 0.181 4.501 4.320 0.000 0.000 0.121 6 K C -2.381 174.278 176.600 0.099 0.000 0.968 6 K CA 0.318 56.683 56.287 0.130 0.000 0.907 6 K CB -0.149 32.394 32.500 0.071 0.000 0.678 6 K HN 0.543 nan 8.250 nan 0.000 0.367 7 P HA 0.142 nan 4.420 nan 0.000 0.195 7 P C -0.713 176.641 177.300 0.089 0.000 1.172 7 P CA 0.291 63.442 63.100 0.084 0.000 0.850 7 P CB 0.552 32.301 31.700 0.082 0.000 0.699 8 R N -1.022 119.568 120.500 0.149 0.000 3.958 8 R HA 0.353 4.693 4.340 0.000 0.000 0.304 8 R C -1.807 174.608 176.300 0.192 0.000 1.016 8 R CA -0.036 56.163 56.100 0.166 0.000 1.222 8 R CB 0.171 30.502 30.300 0.053 0.000 1.304 8 R HN 0.379 nan 8.270 nan 0.000 0.462 9 T N 1.969 116.697 114.554 0.290 0.000 4.001 9 T HA 0.110 4.460 4.350 0.000 0.000 0.230 9 T C -2.282 172.482 174.700 0.107 0.000 0.576 9 T CA -0.763 61.433 62.100 0.159 0.000 0.893 9 T CB 1.117 70.041 68.868 0.093 0.000 1.284 9 T HN 0.291 nan 8.240 nan 0.000 0.491 10 P HA 0.029 nan 4.420 nan 0.000 0.203 10 P C 1.622 178.922 177.300 -0.001 0.000 1.206 10 P CA 0.816 63.917 63.100 0.002 0.000 0.896 10 P CB 0.221 32.014 31.700 0.154 0.000 0.728 11 K N 0.021 120.450 120.400 0.048 0.000 2.195 11 K HA -0.301 4.019 4.320 0.000 0.000 0.216 11 K C 2.232 178.840 176.600 0.014 0.000 1.039 11 K CA 2.069 58.380 56.287 0.041 0.000 0.940 11 K CB -1.252 31.272 32.500 0.040 0.000 0.778 11 K HN 0.235 nan 8.250 nan 0.000 0.475 12 Q N 0.491 120.291 119.800 -0.000 0.000 2.123 12 Q HA 0.005 4.345 4.340 0.000 0.000 0.196 12 Q C 2.221 178.197 176.000 -0.040 0.000 0.958 12 Q CA 0.870 56.664 55.803 -0.015 0.000 0.841 12 Q CB 0.133 28.866 28.738 -0.009 0.000 0.915 12 Q HN 0.360 nan 8.270 nan 0.000 0.455 13 K N 0.730 121.092 120.400 -0.063 0.000 2.057 13 K HA -0.075 4.245 4.320 0.000 0.000 0.207 13 K C 1.735 178.270 176.600 -0.109 0.000 1.049 13 K CA 0.675 56.901 56.287 -0.102 0.000 0.931 13 K CB -0.139 32.264 32.500 -0.162 0.000 0.714 13 K HN 0.193 nan 8.250 nan 0.000 0.440 14 L N 1.409 122.576 121.223 -0.093 0.000 2.784 14 L HA -0.118 4.222 4.340 0.000 0.000 0.247 14 L C -0.551 176.290 176.870 -0.050 0.000 1.162 14 L CA 0.403 55.200 54.840 -0.071 0.000 0.881 14 L CB -0.173 41.918 42.059 0.052 0.000 1.032 14 L HN 0.173 nan 8.230 nan 0.000 0.446 15 D N -1.197 119.169 120.400 -0.056 0.000 2.990 15 D HA 0.298 4.938 4.640 0.000 0.000 0.227 15 D C -0.017 176.248 176.300 -0.059 0.000 1.249 15 D CA -0.205 53.768 54.000 -0.045 0.000 0.891 15 D CB 1.158 41.944 40.800 -0.025 0.000 1.647 15 D HN -0.068 nan 8.370 nan 0.000 0.530 16 E N 1.700 121.863 120.200 -0.062 0.000 3.439 16 E HA -0.165 4.185 4.350 0.000 0.000 0.211 16 E C 0.190 176.733 176.600 -0.095 0.000 1.055 16 E CA 1.268 57.627 56.400 -0.069 0.000 2.179 16 E CB -1.894 27.767 29.700 -0.065 0.000 1.704 16 E HN 0.328 nan 8.360 nan 0.000 0.501 17 S N -0.469 115.159 115.700 -0.120 0.000 2.820 17 S HA 0.403 4.873 4.470 0.000 0.000 0.265 17 S C 0.037 174.493 174.600 -0.240 0.000 1.043 17 S CA 0.302 58.401 58.200 -0.168 0.000 1.245 17 S CB 0.328 63.443 63.200 -0.141 0.000 1.187 17 S HN 0.237 nan 8.310 nan 0.000 0.673 18 M N 2.809 122.289 119.600 -0.200 0.000 2.065 18 M HA 0.447 4.927 4.480 0.000 0.000 0.332 18 M C -1.471 174.729 176.300 -0.167 0.000 0.988 18 M CA -0.653 54.518 55.300 -0.216 0.000 0.944 18 M CB 0.573 33.094 32.600 -0.132 0.000 1.357 18 M HN 0.139 nan 8.290 nan 0.000 0.388 19 I N 2.732 123.203 120.570 -0.165 0.000 2.720 19 I HA 0.308 4.478 4.170 0.000 0.000 0.287 19 I C 0.366 176.585 176.117 0.170 0.000 1.090 19 I CA -0.126 61.200 61.300 0.042 0.000 1.384 19 I CB 1.504 39.717 38.000 0.355 0.000 1.420 19 I HN 0.657 nan 8.210 nan 0.000 0.575 20 A N 5.602 128.402 122.820 -0.033 0.000 2.274 20 A HA 0.830 5.150 4.320 0.000 0.000 0.309 20 A C -0.419 177.250 177.584 0.141 0.000 1.226 20 A CA -0.258 51.699 52.037 -0.133 0.000 0.853 20 A CB 0.291 18.794 19.000 -0.828 0.000 1.146 20 A HN 0.851 nan 8.150 nan 0.000 0.518 21 A N 2.343 125.302 122.820 0.232 0.000 2.435 21 A HA 0.677 4.997 4.320 0.000 0.000 0.304 21 A C -0.446 177.336 177.584 0.330 0.000 1.064 21 A CA -0.516 51.692 52.037 0.285 0.000 0.727 21 A CB 1.141 20.240 19.000 0.164 0.000 1.284 21 A HN 1.057 nan 8.150 nan 0.000 0.415 22 V N 1.174 121.292 119.914 0.340 0.000 2.614 22 V HA 0.452 4.572 4.120 0.000 0.000 0.291 22 V C 0.956 177.192 176.094 0.236 0.000 1.049 22 V CA 0.117 62.560 62.300 0.239 0.000 1.038 22 V CB 1.126 33.060 31.823 0.186 0.000 0.980 22 V HN 1.147 nan 8.190 nan 0.000 0.481 23 A N 5.563 128.467 122.820 0.139 0.000 2.415 23 A HA 0.459 4.779 4.320 0.000 0.000 0.309 23 A C -0.649 177.037 177.584 0.170 0.000 1.356 23 A CA -0.218 51.901 52.037 0.137 0.000 0.998 23 A CB -0.392 18.647 19.000 0.065 0.000 1.145 23 A HN 0.880 nan 8.150 nan 0.000 0.545 24 Y N 4.229 124.592 120.300 0.105 0.000 2.326 24 Y HA 0.470 5.020 4.550 0.000 0.000 0.331 24 Y C -0.370 175.462 175.900 -0.113 0.000 0.962 24 Y CA -0.967 57.191 58.100 0.097 0.000 1.167 24 Y CB 1.067 39.676 38.460 0.249 0.000 1.148 24 Y HN 0.756 nan 8.280 nan 0.000 0.463 25 N N 6.613 125.388 118.700 0.125 0.000 2.503 25 N HA 0.072 4.812 4.740 0.000 0.000 0.287 25 N C -1.664 173.672 175.510 -0.290 0.000 1.096 25 N CA -0.596 52.116 53.050 -0.563 0.000 0.936 25 N CB 1.909 40.168 38.487 -0.380 0.000 1.570 25 N HN 0.748 nan 8.380 nan 0.000 0.504 26 K N 2.769 122.950 120.400 -0.365 0.000 2.441 26 K HA -0.277 4.043 4.320 0.000 0.000 0.256 26 K C -0.207 176.372 176.600 -0.035 0.000 1.051 26 K CA 2.104 58.411 56.287 0.035 0.000 1.154 26 K CB 0.121 32.609 32.500 -0.019 0.000 0.768 26 K HN 0.882 nan 8.250 nan 0.000 0.482 27 E N -0.140 120.081 120.200 0.035 0.000 4.549 27 E HA -0.248 4.102 4.350 0.000 0.000 0.193 27 E C -0.495 176.087 176.600 -0.030 0.000 0.844 27 E CA 1.640 58.031 56.400 -0.016 0.000 2.448 27 E CB -0.985 28.677 29.700 -0.064 0.000 1.641 27 E HN 0.927 nan 8.360 nan 0.000 0.584 28 N N 1.235 119.915 118.700 -0.034 0.000 2.229 28 N HA 0.522 5.262 4.740 0.000 0.000 0.298 28 N C -1.329 174.144 175.510 -0.061 0.000 1.114 28 N CA -0.680 52.339 53.050 -0.052 0.000 0.776 28 N CB 1.481 39.938 38.487 -0.051 0.000 1.501 28 N HN 0.046 nan 8.380 nan 0.000 0.474 29 N N 0.206 118.847 118.700 -0.098 0.000 2.425 29 N HA 0.370 5.110 4.740 0.000 0.000 0.289 29 N C -1.578 173.871 175.510 -0.101 0.000 1.074 29 N CA -0.245 52.727 53.050 -0.129 0.000 0.905 29 N CB 2.571 40.893 38.487 -0.275 0.000 1.586 29 N HN 0.355 nan 8.380 nan 0.000 0.490 30 V N 0.519 120.392 119.914 -0.067 0.000 2.864 30 V HA 0.413 4.533 4.120 0.000 0.000 0.314 30 V C 0.713 176.757 176.094 -0.084 0.000 1.073 30 V CA -0.857 61.404 62.300 -0.065 0.000 0.956 30 V CB 1.963 33.771 31.823 -0.026 0.000 1.023 30 V HN 0.703 nan 8.190 nan 0.000 0.435 31 S N 3.492 119.117 115.700 -0.126 0.000 2.642 31 S HA 0.047 4.517 4.470 0.000 0.000 0.308 31 S C 0.149 174.741 174.600 -0.014 0.000 1.255 31 S CA -0.413 57.652 58.200 -0.225 0.000 1.057 31 S CB -0.458 62.657 63.200 -0.141 0.000 0.785 31 S HN 0.581 nan 8.310 nan 0.000 0.500 32 F N 3.249 123.221 119.950 0.037 0.000 2.668 32 F HA 0.476 5.003 4.527 0.000 0.000 0.338 32 F C 0.626 176.446 175.800 0.034 0.000 1.194 32 F CA -0.815 57.212 58.000 0.045 0.000 1.385 32 F CB -1.084 37.966 39.000 0.083 0.000 1.088 32 F HN 0.740 nan 8.300 nan 0.000 0.624 33 A N 0.792 123.778 122.820 0.276 0.000 4.642 33 A HA 0.731 5.051 4.320 0.000 0.000 0.248 33 A C 0.408 178.056 177.584 0.107 0.000 0.987 33 A CA -0.108 52.012 52.037 0.137 0.000 0.622 33 A CB -0.241 18.814 19.000 0.092 0.000 1.769 33 A HN 1.708 nan 8.150 nan 0.000 0.864 34 L N -2.835 118.439 121.223 0.086 0.000 2.562 34 L HA -0.140 4.200 4.340 0.000 0.000 0.425 34 L C -0.131 176.813 176.870 0.123 0.000 0.852 34 L CA 2.556 57.492 54.840 0.160 0.000 3.307 34 L CB -2.499 39.688 42.059 0.213 0.000 0.645 34 L HN 2.383 nan 8.230 nan 0.000 0.799 35 D N 0.778 121.171 120.400 -0.012 0.000 7.133 35 D HA -0.108 4.532 4.640 0.000 0.000 0.241 35 D C -0.210 175.029 176.300 -1.768 0.000 2.017 35 D CA 0.654 54.302 54.000 -0.586 0.000 1.860 35 D CB 0.001 40.612 40.800 -0.315 0.000 0.718 35 D HN 0.829 nan 8.370 nan 0.000 0.425 36 R N 3.243 122.736 120.500 -1.677 0.000 2.402 36 R HA 0.430 4.770 4.340 0.000 0.000 0.331 36 R C 0.903 176.744 176.300 -0.765 0.000 1.040 36 R CA 0.148 55.368 56.100 -1.465 0.000 0.980 36 R CB 0.914 30.894 30.300 -0.533 0.000 0.967 36 R HN 0.591 nan 8.270 nan 0.000 0.440 37 K N 2.260 122.275 120.400 -0.640 0.000 2.655 37 K HA 0.036 4.356 4.320 0.000 0.000 0.239 37 K C 1.247 177.698 176.600 -0.248 0.000 2.785 37 K CA 0.890 56.983 56.287 -0.324 0.000 1.462 37 K CB -1.158 31.180 32.500 -0.270 0.000 3.026 37 K HN 0.306 nan 8.250 nan 0.000 0.359 38 A N 1.512 124.181 122.820 -0.252 0.000 1.841 38 A HA -0.016 4.304 4.320 0.000 0.000 0.216 38 A C 1.894 179.436 177.584 -0.070 0.000 1.199 38 A CA 2.080 54.080 52.037 -0.062 0.000 0.621 38 A CB -1.238 17.794 19.000 0.054 0.000 0.835 38 A HN 0.381 nan 8.150 nan 0.000 0.445 39 F N 0.646 120.286 119.950 -0.517 0.000 2.077 39 F HA -0.435 4.092 4.527 0.000 0.000 0.292 39 F C 2.204 177.440 175.800 -0.940 0.000 1.120 39 F CA 1.341 58.397 58.000 -1.574 0.000 1.246 39 F CB -1.270 36.904 39.000 -1.378 0.000 0.941 39 F HN 0.323 nan 8.300 nan 0.000 0.514 40 D N 0.241 120.479 120.400 -0.270 0.000 2.605 40 D HA -0.257 4.383 4.640 0.000 0.000 0.219 40 D C 1.718 177.986 176.300 -0.054 0.000 1.132 40 D CA 1.956 55.881 54.000 -0.125 0.000 0.968 40 D CB -0.971 39.760 40.800 -0.115 0.000 1.330 40 D HN 0.088 nan 8.370 nan 0.000 0.512 41 R N 0.428 120.909 120.500 -0.031 0.000 2.227 41 R HA -0.197 4.143 4.340 0.000 0.000 0.246 41 R C 2.294 178.642 176.300 0.080 0.000 1.119 41 R CA 2.544 58.660 56.100 0.027 0.000 0.930 41 R CB -1.084 29.240 30.300 0.040 0.000 0.912 41 R HN 0.392 nan 8.270 nan 0.000 0.435 42 A N -0.857 122.048 122.820 0.141 0.000 1.943 42 A HA 0.090 4.410 4.320 0.000 0.000 0.213 42 A C 2.172 179.939 177.584 0.305 0.000 1.181 42 A CA 0.628 52.797 52.037 0.220 0.000 0.653 42 A CB -0.541 18.632 19.000 0.287 0.000 0.833 42 A HN 0.313 nan 8.150 nan 0.000 0.451 43 F N 0.174 120.167 119.950 0.071 0.000 2.120 43 F HA -0.275 4.252 4.527 0.000 0.000 0.300 43 F C 2.756 178.558 175.800 0.002 0.000 1.095 43 F CA 0.714 58.724 58.000 0.017 0.000 1.249 43 F CB -0.192 38.832 39.000 0.040 0.000 0.995 43 F HN 0.134 nan 8.300 nan 0.000 0.480 44 R N 0.746 121.385 120.500 0.230 0.000 2.154 44 R HA -0.247 4.093 4.340 0.000 0.000 0.236 44 R C 2.015 178.355 176.300 0.067 0.000 1.121 44 R CA 1.770 57.936 56.100 0.110 0.000 0.915 44 R CB -1.232 29.108 30.300 0.066 0.000 0.856 44 R HN 0.265 nan 8.270 nan 0.000 0.431 45 Q N 0.182 120.010 119.800 0.048 0.000 2.082 45 Q HA -0.202 4.138 4.340 0.000 0.000 0.211 45 Q C 0.518 176.497 176.000 -0.036 0.000 1.002 45 Q CA 2.312 58.108 55.803 -0.012 0.000 0.868 45 Q CB -0.051 28.648 28.738 -0.066 0.000 0.931 45 Q HN 0.645 nan 8.270 nan 0.000 0.414 46 Q N -2.604 117.174 119.800 -0.038 0.000 3.196 46 Q HA 0.191 4.531 4.340 0.000 0.000 0.175 46 Q C -1.008 174.937 176.000 -0.091 0.000 0.594 46 Q CA -0.123 55.643 55.803 -0.062 0.000 1.017 46 Q CB -0.653 28.028 28.738 -0.096 0.000 1.505 46 Q HN -0.024 nan 8.270 nan 0.000 0.351 47 S N 1.188 116.839 115.700 -0.083 0.000 2.525 47 S HA -0.060 4.410 4.470 0.000 0.000 0.282 47 S C 0.606 175.101 174.600 -0.176 0.000 1.324 47 S CA 1.279 59.361 58.200 -0.197 0.000 1.025 47 S CB 0.205 63.248 63.200 -0.261 0.000 0.820 47 S HN 0.591 nan 8.310 nan 0.000 0.514 48 T N 1.679 116.101 114.554 -0.221 0.000 3.293 48 T HA -0.173 4.177 4.350 0.000 0.000 0.405 48 T C 0.986 175.616 174.700 -0.117 0.000 0.771 48 T CA 1.372 63.370 62.100 -0.170 0.000 2.106 48 T CB -1.871 66.895 68.868 -0.170 0.000 1.671 48 T HN 0.968 nan 8.240 nan 0.000 0.595 49 T N -4.619 109.870 114.554 -0.109 0.000 3.500 49 T HA 0.258 4.608 4.350 0.000 0.000 0.285 49 T C 1.628 176.276 174.700 -0.087 0.000 0.851 49 T CA 0.214 62.265 62.100 -0.082 0.000 0.962 49 T CB -0.214 68.615 68.868 -0.066 0.000 1.195 49 T HN 0.481 nan 8.240 nan 0.000 0.576 50 G N 1.115 109.842 108.800 -0.122 0.000 2.571 50 G HA2 0.669 4.629 3.960 0.000 0.000 0.225 50 G HA3 0.669 4.629 3.960 0.000 0.000 0.225 50 G C -0.248 174.578 174.900 -0.124 0.000 1.731 50 G CA 0.021 45.031 45.100 -0.149 0.000 0.858 50 G HN 0.830 nan 8.290 nan 0.000 0.611 51 L N -0.596 120.517 121.223 -0.183 0.000 3.037 51 L HA -0.038 4.302 4.340 0.000 0.000 0.524 51 L C -1.140 175.829 176.870 0.166 0.000 1.002 51 L CA -0.618 54.195 54.840 -0.045 0.000 1.123 51 L CB -0.462 41.607 42.059 0.018 0.000 1.999 51 L HN 0.293 nan 8.230 nan 0.000 1.065 52 F N 1.888 121.876 119.950 0.064 0.000 3.345 52 F HA 0.772 5.299 4.527 -0.000 0.000 0.253 52 F C 0.551 176.417 175.800 0.111 0.000 1.576 52 F CA 0.181 58.231 58.000 0.083 0.000 0.970 52 F CB 0.387 39.443 39.000 0.093 0.000 1.808 52 F HN 0.609 nan 8.300 nan 0.000 0.354 53 D N -1.715 118.907 120.400 0.370 0.000 3.024 53 D HA 0.425 5.065 4.640 0.000 0.000 0.354 53 D C -1.876 174.552 176.300 0.212 0.000 1.431 53 D CA -0.268 53.893 54.000 0.268 0.000 0.842 53 D CB 0.776 41.701 40.800 0.208 0.000 1.437 53 D HN 0.079 nan 8.370 nan 0.000 0.507 54 I N -0.474 120.195 120.570 0.164 0.000 3.133 54 I HA 0.529 4.699 4.170 0.000 0.000 0.311 54 I C -0.056 176.100 176.117 0.064 0.000 1.072 54 I CA -0.373 60.995 61.300 0.114 0.000 1.015 54 I CB 2.315 40.377 38.000 0.105 0.000 1.233 54 I HN 0.415 nan 8.210 nan 0.000 0.473 55 T N 2.083 116.663 114.554 0.043 0.000 3.504 55 T HA 0.313 4.663 4.350 0.000 0.000 0.286 55 T C -0.720 173.992 174.700 0.020 0.000 1.530 55 T CA -0.221 61.890 62.100 0.019 0.000 1.652 55 T CB 0.043 68.912 68.868 0.001 0.000 0.895 55 T HN 0.131 nan 8.240 nan 0.000 0.674 56 V N 3.698 123.629 119.914 0.029 0.000 2.356 56 V HA 0.218 4.338 4.120 0.000 0.000 0.258 56 V C 0.446 176.552 176.094 0.021 0.000 1.065 56 V CA -0.323 61.992 62.300 0.025 0.000 0.935 56 V CB -0.002 31.839 31.823 0.031 0.000 1.061 56 V HN 0.752 nan 8.190 nan 0.000 0.484 57 E N 3.794 124.003 120.200 0.014 0.000 2.868 57 E HA -0.278 4.072 4.350 0.000 0.000 0.278 57 E C 1.413 178.018 176.600 0.007 0.000 1.009 57 E CA 1.152 57.558 56.400 0.011 0.000 0.856 57 E CB -1.776 27.932 29.700 0.014 0.000 1.428 57 E HN 1.372 nan 8.360 nan 0.000 0.423 58 G N -1.042 107.760 108.800 0.003 0.000 2.530 58 G HA2 -0.405 3.555 3.960 0.000 0.000 0.247 58 G HA3 -0.405 3.555 3.960 0.000 0.000 0.247 58 G C 1.565 176.464 174.900 -0.002 0.000 1.067 58 G CA 1.961 47.056 45.100 -0.007 0.000 0.650 58 G HN 1.493 nan 8.290 nan 0.000 0.531 59 G N 0.587 109.395 108.800 0.013 0.000 2.999 59 G HA2 -0.329 3.631 3.960 0.000 0.000 0.335 59 G HA3 -0.329 3.631 3.960 0.000 0.000 0.335 59 G C 0.470 175.396 174.900 0.043 0.000 1.346 59 G CA 1.832 46.951 45.100 0.030 0.000 1.351 59 G HN 1.631 nan 8.290 nan 0.000 0.902 60 E N -0.079 120.159 120.200 0.064 0.000 3.286 60 E HA 0.284 4.634 4.350 0.000 0.000 0.309 60 E C 0.035 176.678 176.600 0.072 0.000 1.174 60 E CA 0.411 56.879 56.400 0.113 0.000 0.984 60 E CB 0.221 30.087 29.700 0.277 0.000 1.401 60 E HN 0.585 nan 8.360 nan 0.000 0.388 61 T N -1.106 113.414 114.554 -0.057 0.000 4.302 61 T HA 0.011 4.361 4.350 0.000 0.000 0.215 61 T C 0.023 174.658 174.700 -0.109 0.000 0.743 61 T CA 0.293 62.360 62.100 -0.056 0.000 2.138 61 T CB -1.183 67.634 68.868 -0.086 0.000 1.275 61 T HN 0.128 nan 8.240 nan 0.000 0.664 62 F N 2.815 122.791 119.950 0.043 0.000 2.408 62 F HA 0.593 5.120 4.527 0.000 0.000 0.325 62 F C -1.715 174.128 175.800 0.072 0.000 1.082 62 F CA -2.543 55.485 58.000 0.048 0.000 1.032 62 F CB 1.907 40.926 39.000 0.033 0.000 1.259 62 F HN 0.214 nan 8.300 nan 0.000 0.503 63 P HA 0.674 nan 4.420 nan 0.000 0.307 63 P C -0.972 176.434 177.300 0.176 0.000 1.307 63 P CA 0.234 63.478 63.100 0.240 0.000 0.814 63 P CB 2.842 34.673 31.700 0.218 0.000 1.311 64 A N -1.452 121.450 122.820 0.137 0.000 3.570 64 A HA -0.051 4.269 4.320 0.000 0.000 0.199 64 A C 0.580 178.182 177.584 0.030 0.000 1.297 64 A CA 0.644 52.732 52.037 0.084 0.000 1.172 64 A CB -1.710 17.358 19.000 0.112 0.000 0.810 64 A HN 0.521 nan 8.150 nan 0.000 0.390 65 L N -3.730 117.525 121.223 0.054 0.000 5.292 65 L HA -0.161 4.179 4.340 0.000 0.000 0.053 65 L C 0.503 177.058 176.870 -0.523 0.000 3.615 65 L CA 0.683 55.486 54.840 -0.061 0.000 1.025 65 L CB -1.494 40.507 42.059 -0.097 0.000 3.295 65 L HN 1.351 nan 8.230 nan 0.000 1.119 66 V N 0.632 120.144 119.914 -0.670 0.000 2.555 66 V HA 0.585 4.705 4.120 0.000 0.000 0.302 66 V C 0.097 175.945 176.094 -0.409 0.000 1.038 66 V CA 0.270 62.112 62.300 -0.763 0.000 0.887 66 V CB 1.728 32.959 31.823 -0.987 0.000 0.991 66 V HN 0.508 nan 8.190 nan 0.000 0.434 67 K N 3.920 124.127 120.400 -0.321 0.000 2.589 67 K HA 0.755 5.075 4.320 0.000 0.000 0.198 67 K C -0.647 175.822 176.600 -0.218 0.000 1.114 67 K CA 0.597 56.725 56.287 -0.265 0.000 1.070 67 K CB 0.947 33.254 32.500 -0.322 0.000 0.860 67 K HN 0.944 nan 8.250 nan 0.000 0.536 68 A N -0.236 122.465 122.820 -0.199 0.000 2.573 68 A HA 0.560 4.880 4.320 0.000 0.000 0.312 68 A C -1.310 176.220 177.584 -0.090 0.000 1.041 68 A CA -0.280 51.688 52.037 -0.116 0.000 0.880 68 A CB 0.408 19.374 19.000 -0.056 0.000 1.249 68 A HN 0.087 nan 8.150 nan 0.000 0.385 69 V N -0.099 119.778 119.914 -0.062 0.000 3.209 69 V HA 0.844 4.964 4.120 0.000 0.000 0.306 69 V C -1.705 174.395 176.094 0.010 0.000 1.707 69 V CA -0.393 61.897 62.300 -0.016 0.000 0.982 69 V CB 1.566 33.354 31.823 -0.059 0.000 1.040 69 V HN 1.839 nan 8.190 nan 0.000 0.485 70 Q N -0.175 119.649 119.800 0.040 0.000 2.825 70 Q HA 0.303 4.643 4.340 0.000 0.000 0.219 70 Q C -1.078 174.969 176.000 0.078 0.000 0.942 70 Q CA -0.442 55.391 55.803 0.050 0.000 1.147 70 Q CB 0.875 29.647 28.738 0.056 0.000 1.723 70 Q HN 0.766 nan 8.270 nan 0.000 0.541 71 M N 2.374 122.020 119.600 0.077 0.000 2.788 71 M HA -0.059 4.421 4.480 0.000 0.000 0.224 71 M C -0.226 176.122 176.300 0.080 0.000 1.078 71 M CA 0.927 56.283 55.300 0.093 0.000 1.046 71 M CB -0.724 31.928 32.600 0.088 0.000 1.690 71 M HN 0.748 nan 8.290 nan 0.000 0.532 72 D N 0.629 121.078 120.400 0.081 0.000 3.623 72 D HA -0.256 4.384 4.640 0.000 0.000 0.202 72 D C 0.589 176.932 176.300 0.072 0.000 1.747 72 D CA 0.753 54.803 54.000 0.083 0.000 0.867 72 D CB -0.131 40.742 40.800 0.121 0.000 0.654 72 D HN 0.013 nan 8.370 nan 0.000 0.695 73 K N -1.488 118.958 120.400 0.078 0.000 1.800 73 K HA -0.254 4.066 4.320 0.000 0.000 0.567 73 K C 1.438 178.066 176.600 0.046 0.000 1.766 73 K CA 1.765 58.090 56.287 0.064 0.000 0.996 73 K CB -0.929 31.608 32.500 0.062 0.000 1.627 73 K HN 0.691 nan 8.250 nan 0.000 0.691 74 R N 1.336 121.859 120.500 0.038 0.000 2.039 74 R HA 0.078 4.418 4.340 0.000 0.000 0.218 74 R C 1.904 178.220 176.300 0.027 0.000 1.220 74 R CA 1.653 57.771 56.100 0.029 0.000 0.993 74 R CB -0.597 29.717 30.300 0.024 0.000 0.881 74 R HN 0.739 nan 8.270 nan 0.000 0.450 75 K N 1.241 121.656 120.400 0.025 0.000 2.464 75 K HA -0.206 4.114 4.320 0.000 0.000 0.200 75 K C -0.018 176.596 176.600 0.023 0.000 1.044 75 K CA 1.445 57.744 56.287 0.021 0.000 0.932 75 K CB -0.269 32.242 32.500 0.018 0.000 0.753 75 K HN 0.048 nan 8.250 nan 0.000 0.492 76 R N -1.318 119.200 120.500 0.029 0.000 3.762 76 R HA -0.118 4.222 4.340 0.000 0.000 0.328 76 R C -0.730 175.592 176.300 0.037 0.000 1.164 76 R CA 1.046 57.166 56.100 0.032 0.000 0.861 76 R CB -2.620 27.696 30.300 0.027 0.000 1.408 76 R HN 0.552 nan 8.270 nan 0.000 0.502 77 A N 1.604 124.446 122.820 0.037 0.000 2.399 77 A HA 0.555 4.875 4.320 0.000 0.000 0.327 77 A C -1.929 175.685 177.584 0.049 0.000 1.367 77 A CA -1.359 50.700 52.037 0.037 0.000 0.842 77 A CB 0.768 19.780 19.000 0.020 0.000 1.142 77 A HN -0.084 nan 8.150 nan 0.000 0.495 78 P HA 0.176 nan 4.420 nan 0.000 0.268 78 P C -0.428 176.907 177.300 0.059 0.000 1.189 78 P CA 0.654 63.810 63.100 0.093 0.000 0.771 78 P CB 0.702 32.489 31.700 0.146 0.000 0.822 79 I N 1.301 121.879 120.570 0.014 0.000 2.739 79 I HA 0.146 4.316 4.170 0.000 0.000 0.287 79 I C -0.991 174.945 176.117 -0.301 0.000 1.558 79 I CA -0.688 60.456 61.300 -0.261 0.000 1.050 79 I CB 1.449 39.107 38.000 -0.570 0.000 1.432 79 I HN 0.640 nan 8.210 nan 0.000 0.432 80 H N 2.554 121.709 119.070 0.141 0.000 3.741 80 H HA -0.017 4.539 4.556 0.000 0.000 0.348 80 H C -1.233 174.185 175.328 0.150 0.000 0.980 80 H CA -0.260 55.874 56.048 0.144 0.000 1.058 80 H CB -0.908 28.931 29.762 0.128 0.000 1.445 80 H HN 0.261 nan 8.280 nan 0.000 0.364 81 V N 1.322 121.384 119.914 0.247 0.000 3.096 81 V HA 0.525 4.645 4.120 0.000 0.000 0.319 81 V C 0.384 176.649 176.094 0.286 0.000 1.103 81 V CA -0.500 61.929 62.300 0.214 0.000 1.016 81 V CB 2.226 34.189 31.823 0.235 0.000 1.090 81 V HN 0.741 nan 8.190 nan 0.000 0.449 82 D N 0.218 120.739 120.400 0.202 0.000 2.469 82 D HA 0.526 5.166 4.640 0.000 0.000 0.251 82 D C -1.411 174.980 176.300 0.152 0.000 1.173 82 D CA -0.129 54.010 54.000 0.230 0.000 0.882 82 D CB 0.641 41.516 40.800 0.123 0.000 1.129 82 D HN 0.210 nan 8.370 nan 0.000 0.549 83 F N 2.967 122.981 119.950 0.107 0.000 2.421 83 F HA 0.504 5.031 4.527 0.000 0.000 0.337 83 F C -0.532 175.378 175.800 0.183 0.000 1.105 83 F CA -0.708 57.343 58.000 0.085 0.000 1.049 83 F CB 1.243 40.288 39.000 0.074 0.000 1.139 83 F HN 0.248 nan 8.300 nan 0.000 0.479 84 Y N 3.183 123.513 120.300 0.050 0.000 2.524 84 Y HA 0.664 5.214 4.550 0.000 0.000 0.347 84 Y C -1.097 174.801 175.900 -0.003 0.000 1.005 84 Y CA -1.185 56.890 58.100 -0.042 0.000 1.025 84 Y CB 1.823 40.118 38.460 -0.275 0.000 1.275 84 Y HN 0.569 nan 8.280 nan 0.000 0.460 85 M N 4.069 123.497 119.600 -0.287 0.000 2.716 85 M HA 0.682 5.162 4.480 0.000 0.000 0.307 85 M C -1.556 174.602 176.300 -0.237 0.000 1.223 85 M CA -1.160 54.056 55.300 -0.141 0.000 0.871 85 M CB 2.242 34.798 32.600 -0.073 0.000 1.739 85 M HN 0.419 nan 8.290 nan 0.000 0.475 86 V N 0.846 120.704 119.914 -0.093 0.000 2.538 86 V HA 0.133 4.253 4.120 0.000 0.000 0.265 86 V C 0.609 176.637 176.094 -0.110 0.000 0.977 86 V CA -0.471 61.782 62.300 -0.078 0.000 0.852 86 V CB 0.837 32.700 31.823 0.066 0.000 1.058 86 V HN 1.029 nan 8.190 nan 0.000 0.462 87 T N -0.051 114.274 114.554 -0.381 0.000 3.252 87 T HA 0.159 4.509 4.350 0.000 0.000 0.250 87 T C 0.252 174.951 174.700 -0.001 0.000 1.123 87 T CA 0.455 62.211 62.100 -0.572 0.000 1.006 87 T CB -0.269 67.663 68.868 -1.560 0.000 0.992 87 T HN 0.272 nan 8.240 nan 0.000 0.547 88 Y N 0.633 120.831 120.300 -0.171 0.000 2.376 88 Y HA 0.610 5.160 4.550 0.000 0.000 0.325 88 Y C 1.334 177.216 175.900 -0.030 0.000 1.199 88 Y CA -1.518 56.531 58.100 -0.085 0.000 1.206 88 Y CB 1.431 39.846 38.460 -0.075 0.000 1.229 88 Y HN 0.108 nan 8.280 nan 0.000 0.480 89 G N 1.196 109.841 108.800 -0.258 0.000 3.474 89 G HA2 0.081 4.041 3.960 0.000 0.000 0.269 89 G HA3 0.081 4.041 3.960 0.000 0.000 0.269 89 G C 0.596 175.443 174.900 -0.089 0.000 1.339 89 G CA 0.037 45.047 45.100 -0.150 0.000 1.258 89 G HN 0.661 nan 8.290 nan 0.000 0.560 90 E N -0.280 119.927 120.200 0.012 0.000 2.541 90 E HA 0.180 4.530 4.350 0.000 0.000 0.219 90 E C -1.876 174.761 176.600 0.062 0.000 0.922 90 E CA -0.770 55.665 56.400 0.058 0.000 1.095 90 E CB 0.307 30.098 29.700 0.152 0.000 1.112 90 E HN 0.108 nan 8.360 nan 0.000 0.516 91 P HA -0.177 nan 4.420 nan 0.000 0.251 91 P C -0.157 177.156 177.300 0.022 0.000 1.116 91 P CA 0.624 63.754 63.100 0.050 0.000 0.776 91 P CB 0.791 32.518 31.700 0.046 0.000 0.701 92 V N 3.227 123.146 119.914 0.009 0.000 3.058 92 V HA 0.030 4.150 4.120 0.000 0.000 0.233 92 V C 1.062 177.138 176.094 -0.030 0.000 1.255 92 V CA 0.457 62.752 62.300 -0.009 0.000 1.267 92 V CB -0.338 31.479 31.823 -0.009 0.000 1.049 92 V HN 0.419 nan 8.190 nan 0.000 0.486 93 E N 1.953 122.123 120.200 -0.050 0.000 1.909 93 E HA 0.059 4.409 4.350 0.000 0.000 0.253 93 E C -1.129 175.430 176.600 -0.068 0.000 1.268 93 E CA -0.115 56.237 56.400 -0.079 0.000 0.999 93 E CB 0.042 29.663 29.700 -0.132 0.000 1.072 93 E HN 0.298 nan 8.360 nan 0.000 0.428 94 V N 3.196 123.077 119.914 -0.055 0.000 2.293 94 V HA 0.166 4.286 4.120 0.000 0.000 0.275 94 V C -0.036 176.024 176.094 -0.057 0.000 1.021 94 V CA -0.649 61.622 62.300 -0.048 0.000 0.815 94 V CB 1.485 33.290 31.823 -0.031 0.000 1.025 94 V HN 0.324 nan 8.190 nan 0.000 0.448 95 S N 4.090 119.751 115.700 -0.066 0.000 2.528 95 S HA 0.715 5.185 4.470 0.000 0.000 0.303 95 S C -0.238 174.326 174.600 -0.059 0.000 1.123 95 S CA -0.331 57.828 58.200 -0.068 0.000 1.138 95 S CB 1.149 64.299 63.200 -0.082 0.000 0.984 95 S HN 0.476 nan 8.310 nan 0.000 0.474 96 V N 5.447 125.334 119.914 -0.045 0.000 3.160 96 V HA 0.720 4.840 4.120 0.000 0.000 0.310 96 V C -2.246 173.839 176.094 -0.015 0.000 1.181 96 V CA -1.814 60.467 62.300 -0.033 0.000 1.047 96 V CB 2.565 34.372 31.823 -0.027 0.000 1.068 96 V HN 0.514 nan 8.190 nan 0.000 0.441 97 P HA 0.690 nan 4.420 nan 0.000 0.321 97 P C -1.837 175.515 177.300 0.088 0.000 1.259 97 P CA -0.744 62.385 63.100 0.048 0.000 0.864 97 P CB 2.913 34.669 31.700 0.092 0.000 1.355 98 V N -0.775 119.227 119.914 0.146 0.000 3.040 98 V HA 0.506 4.626 4.120 0.000 0.000 0.312 98 V C -0.583 175.708 176.094 0.329 0.000 1.115 98 V CA -0.295 62.110 62.300 0.175 0.000 0.998 98 V CB 1.837 33.711 31.823 0.086 0.000 1.042 98 V HN 0.655 nan 8.190 nan 0.000 0.433 99 H N -0.020 119.056 119.070 0.010 0.000 2.931 99 H HA 0.796 5.352 4.556 0.000 0.000 0.331 99 H C 0.258 175.594 175.328 0.013 0.000 1.273 99 H CA 0.152 56.208 56.048 0.012 0.000 1.171 99 H CB 2.030 31.797 29.762 0.008 0.000 1.898 99 H HN 0.838 nan 8.280 nan 0.000 0.562 100 T N -3.819 110.808 114.554 0.121 0.000 2.412 100 T HA 0.456 4.806 4.350 0.000 0.000 0.202 100 T C 0.213 174.959 174.700 0.076 0.000 0.848 100 T CA 0.329 62.468 62.100 0.065 0.000 1.196 100 T CB 0.773 69.653 68.868 0.020 0.000 2.323 100 T HN 0.502 nan 8.240 nan 0.000 0.482 101 T N -1.065 113.518 114.554 0.048 0.000 3.266 101 T HA 0.459 4.809 4.350 0.000 0.000 0.264 101 T C 0.575 175.293 174.700 0.030 0.000 0.839 101 T CA 0.296 62.423 62.100 0.045 0.000 0.828 101 T CB 0.242 69.131 68.868 0.035 0.000 1.255 101 T HN 1.662 nan 8.240 nan 0.000 0.652 102 G N 2.764 111.576 108.800 0.020 0.000 2.932 102 G HA2 -0.084 3.876 3.960 0.000 0.000 0.180 102 G HA3 -0.084 3.876 3.960 0.000 0.000 0.180 102 G C -0.613 174.293 174.900 0.011 0.000 1.072 102 G CA -1.113 43.995 45.100 0.013 0.000 0.997 102 G HN 0.240 nan 8.290 nan 0.000 0.541 103 R N 1.463 121.969 120.500 0.010 0.000 2.413 103 R HA 0.385 4.725 4.340 0.000 0.000 0.333 103 R C 1.386 177.689 176.300 0.005 0.000 1.074 103 R CA 0.494 56.599 56.100 0.008 0.000 0.982 103 R CB 0.263 30.568 30.300 0.008 0.000 0.981 103 R HN 0.833 nan 8.270 nan 0.000 0.452 104 S N 2.202 117.905 115.700 0.005 0.000 2.780 104 S HA -0.054 4.416 4.470 0.000 0.000 0.339 104 S C 0.304 174.905 174.600 0.002 0.000 1.183 104 S CA -0.066 58.136 58.200 0.003 0.000 1.358 104 S CB 0.448 63.650 63.200 0.004 0.000 1.167 104 S HN 0.643 nan 8.310 nan 0.000 0.556 105 Q N 3.145 122.945 119.800 0.000 0.000 2.232 105 Q HA 0.310 4.650 4.340 0.000 0.000 0.167 105 Q C 2.062 178.061 176.000 -0.002 0.000 0.632 105 Q CA 0.496 56.298 55.803 -0.002 0.000 0.873 105 Q CB -0.695 28.041 28.738 -0.003 0.000 1.172 105 Q HN 0.629 nan 8.270 nan 0.000 0.381 106 G N 0.561 109.360 108.800 -0.001 0.000 2.404 106 G HA2 -0.117 3.843 3.960 0.000 0.000 0.213 106 G HA3 -0.117 3.843 3.960 0.000 0.000 0.213 106 G C 0.822 175.723 174.900 0.001 0.000 1.189 106 G CA 0.849 45.949 45.100 -0.000 0.000 0.796 106 G HN 0.221 nan 8.290 nan 0.000 0.532 107 E N 0.930 121.130 120.200 0.001 0.000 1.964 107 E HA -0.057 4.293 4.350 0.000 0.000 0.203 107 E C 2.176 178.777 176.600 0.002 0.000 0.952 107 E CA 0.702 57.103 56.400 0.002 0.000 0.892 107 E CB -1.237 28.465 29.700 0.002 0.000 0.831 107 E HN 0.023 nan 8.360 nan 0.000 0.548 108 V N 0.919 120.834 119.914 0.002 0.000 3.431 108 V HA -0.226 3.894 4.120 0.000 0.000 0.276 108 V C 1.104 177.199 176.094 0.002 0.000 1.259 108 V CA 1.733 64.034 62.300 0.003 0.000 1.241 108 V CB -1.457 30.369 31.823 0.003 0.000 0.983 108 V HN 0.308 nan 8.190 nan 0.000 0.583 109 Q N -1.658 118.143 119.800 0.001 0.000 2.201 109 Q HA 0.144 4.484 4.340 0.000 0.000 0.200 109 Q C 1.873 177.873 176.000 0.000 0.000 0.710 109 Q CA 0.566 56.370 55.803 0.000 0.000 0.865 109 Q CB 0.590 29.328 28.738 -0.000 0.000 1.271 109 Q HN 0.569 nan 8.270 nan 0.000 0.435 110 G N -0.783 108.017 108.800 0.000 0.000 3.192 110 G HA2 0.392 4.352 3.960 0.000 0.000 0.239 110 G HA3 0.392 4.352 3.960 0.000 0.000 0.239 110 G C 0.907 175.808 174.900 0.001 0.000 1.084 110 G CA 0.640 45.740 45.100 -0.000 0.000 0.784 110 G HN 0.463 nan 8.290 nan 0.000 0.540 111 G N 0.422 109.223 108.800 0.001 0.000 2.550 111 G HA2 -0.331 3.629 3.960 0.000 0.000 0.233 111 G HA3 -0.331 3.629 3.960 0.000 0.000 0.233 111 G C 0.683 175.585 174.900 0.002 0.000 1.170 111 G CA 0.336 45.437 45.100 0.002 0.000 0.693 111 G HN 0.873 nan 8.290 nan 0.000 0.512 112 L N 1.164 122.388 121.223 0.003 0.000 2.654 112 L HA 0.261 4.601 4.340 0.000 0.000 0.309 112 L C 1.086 177.959 176.870 0.004 0.000 1.267 112 L CA 1.260 56.103 54.840 0.005 0.000 0.866 112 L CB 0.437 42.499 42.059 0.005 0.000 1.108 112 L HN 0.570 nan 8.230 nan 0.000 0.516 113 V N 0.586 120.504 119.914 0.005 0.000 3.870 113 V HA 0.573 4.693 4.120 0.000 0.000 0.310 113 V C -1.511 174.585 176.094 0.004 0.000 1.501 113 V CA -0.397 61.905 62.300 0.003 0.000 0.934 113 V CB 1.756 33.579 31.823 -0.001 0.000 1.140 113 V HN 0.900 nan 8.190 nan 0.000 0.476 114 D N -0.943 119.455 120.400 -0.003 0.000 2.570 114 D HA 0.635 5.275 4.640 0.000 0.000 0.244 114 D C -1.149 175.140 176.300 -0.018 0.000 1.178 114 D CA -0.358 53.639 54.000 -0.006 0.000 0.881 114 D CB 2.377 43.172 40.800 -0.009 0.000 1.453 114 D HN 0.543 nan 8.370 nan 0.000 0.447 115 I N 0.589 121.143 120.570 -0.027 0.000 2.378 115 I HA 0.305 4.475 4.170 0.000 0.000 0.291 115 I C -0.543 175.544 176.117 -0.049 0.000 0.992 115 I CA -1.084 60.192 61.300 -0.040 0.000 1.154 115 I CB 1.943 39.910 38.000 -0.055 0.000 1.315 115 I HN 0.292 nan 8.210 nan 0.000 0.448 116 V N 8.534 128.423 119.914 -0.042 0.000 2.611 116 V HA 0.122 4.242 4.120 0.000 0.000 0.286 116 V C 0.894 176.986 176.094 -0.003 0.000 1.118 116 V CA -0.041 62.238 62.300 -0.036 0.000 1.334 116 V CB 0.918 32.717 31.823 -0.040 0.000 1.555 116 V HN 0.688 nan 8.190 nan 0.000 0.594 117 V N 2.143 122.049 119.914 -0.015 0.000 2.764 117 V HA -0.208 3.912 4.120 0.000 0.000 0.261 117 V C 1.988 178.176 176.094 0.157 0.000 1.108 117 V CA 2.163 64.486 62.300 0.037 0.000 1.129 117 V CB -1.326 30.508 31.823 0.019 0.000 0.701 117 V HN 0.811 nan 8.190 nan 0.000 0.495 118 H N -0.631 118.418 119.070 -0.034 0.000 2.716 118 H HA 0.172 4.728 4.556 0.000 0.000 0.327 118 H C 2.096 177.402 175.328 -0.038 0.000 1.135 118 H CA 0.756 56.785 56.048 -0.031 0.000 1.611 118 H CB -0.343 29.403 29.762 -0.027 0.000 1.596 118 H HN 0.267 nan 8.280 nan 0.000 0.725 119 N N -0.992 117.770 118.700 0.103 0.000 2.923 119 N HA -0.232 4.508 4.740 0.000 0.000 0.223 119 N C -0.251 175.262 175.510 0.004 0.000 0.164 119 N CA 1.814 54.862 53.050 -0.002 0.000 4.005 119 N CB -1.525 36.951 38.487 -0.017 0.000 0.970 119 N HN 0.324 nan 8.380 nan 0.000 0.228 120 L N 0.747 121.959 121.223 -0.019 0.000 2.357 120 L HA 0.710 5.050 4.340 0.000 0.000 0.273 120 L C -0.263 176.543 176.870 -0.106 0.000 1.080 120 L CA -0.643 54.173 54.840 -0.040 0.000 0.803 120 L CB 1.307 43.342 42.059 -0.039 0.000 1.174 120 L HN 0.202 nan 8.230 nan 0.000 0.443 121 Q N 3.083 122.829 119.800 -0.089 0.000 2.304 121 Q HA 0.632 4.972 4.340 0.000 0.000 0.270 121 Q C -1.239 174.709 176.000 -0.087 0.000 1.035 121 Q CA -0.262 55.472 55.803 -0.115 0.000 0.781 121 Q CB 3.078 31.761 28.738 -0.092 0.000 1.261 121 Q HN 0.605 nan 8.270 nan 0.000 0.444 122 I N 3.806 124.318 120.570 -0.097 0.000 2.359 122 I HA 0.507 4.677 4.170 0.000 0.000 0.284 122 I C -0.003 176.073 176.117 -0.068 0.000 1.018 122 I CA -0.686 60.566 61.300 -0.079 0.000 1.173 122 I CB 0.292 38.243 38.000 -0.082 0.000 1.326 122 I HN 0.463 nan 8.210 nan 0.000 0.462 123 V N 2.644 122.525 119.914 -0.054 0.000 3.870 123 V HA 0.939 5.059 4.120 0.000 0.000 0.310 123 V C -0.661 175.412 176.094 -0.035 0.000 1.501 123 V CA -0.635 61.640 62.300 -0.042 0.000 0.934 123 V CB 1.770 33.571 31.823 -0.037 0.000 1.140 123 V HN 0.620 nan 8.190 nan 0.000 0.476 124 A N 1.354 124.160 122.820 -0.024 0.000 3.200 124 A HA 0.728 5.048 4.320 0.000 0.000 0.274 124 A C -2.337 175.241 177.584 -0.010 0.000 1.220 124 A CA -0.554 51.472 52.037 -0.018 0.000 0.904 124 A CB -0.211 18.779 19.000 -0.017 0.000 1.415 124 A HN 0.693 nan 8.150 nan 0.000 0.630 125 P HA 0.155 nan 4.420 nan 0.000 0.323 125 P C 0.912 178.212 177.300 -0.001 0.000 1.435 125 P CA 0.414 63.511 63.100 -0.004 0.000 0.853 125 P CB 0.174 31.872 31.700 -0.003 0.000 2.066 126 G N 0.533 109.334 108.800 0.002 0.000 2.360 126 G HA2 0.340 4.300 3.960 0.000 0.000 0.279 126 G HA3 0.340 4.300 3.960 0.000 0.000 0.279 126 G C -2.461 172.444 174.900 0.009 0.000 1.189 126 G CA -0.755 44.348 45.100 0.004 0.000 0.941 126 G HN 0.248 nan 8.290 nan 0.000 0.445 127 P HA -0.102 nan 4.420 nan 0.000 0.269 127 P C 0.635 177.954 177.300 0.031 0.000 1.200 127 P CA 0.230 63.343 63.100 0.020 0.000 0.779 127 P CB 0.319 32.029 31.700 0.017 0.000 0.841 128 R N 0.890 121.418 120.500 0.045 0.000 2.841 128 R HA -0.248 4.092 4.340 0.000 0.000 0.224 128 R C -0.265 176.063 176.300 0.048 0.000 0.809 128 R CA 0.898 57.034 56.100 0.060 0.000 0.547 128 R CB -1.275 29.075 30.300 0.084 0.000 1.099 128 R HN 0.446 nan 8.270 nan 0.000 0.503 129 R N 0.385 120.906 120.500 0.035 0.000 3.179 129 R HA 0.164 4.504 4.340 0.000 0.000 0.231 129 R C -1.009 175.303 176.300 0.019 0.000 1.796 129 R CA -0.491 55.626 56.100 0.027 0.000 1.233 129 R CB 0.493 30.805 30.300 0.021 0.000 1.545 129 R HN 0.257 nan 8.270 nan 0.000 0.552 130 I N -1.050 119.531 120.570 0.019 0.000 2.607 130 I HA 0.527 4.697 4.170 0.000 0.000 0.290 130 I C -2.443 173.679 176.117 0.009 0.000 1.129 130 I CA -2.209 59.097 61.300 0.009 0.000 1.042 130 I CB 1.820 39.821 38.000 0.002 0.000 1.242 130 I HN 0.063 nan 8.210 nan 0.000 0.421 131 P HA 0.091 nan 4.420 nan 0.000 0.262 131 P C -0.131 177.165 177.300 -0.006 0.000 1.199 131 P CA 0.084 63.186 63.100 0.003 0.000 0.763 131 P CB 1.013 32.714 31.700 0.002 0.000 0.790 132 Q N 1.155 120.951 119.800 -0.007 0.000 2.508 132 Q HA -0.083 4.257 4.340 0.000 0.000 0.214 132 Q C -0.041 175.935 176.000 -0.040 0.000 0.979 132 Q CA 1.020 56.808 55.803 -0.025 0.000 0.911 132 Q CB 0.164 28.889 28.738 -0.022 0.000 0.969 132 Q HN 0.566 nan 8.270 nan 0.000 0.504 133 E N 0.540 120.721 120.200 -0.032 0.000 2.448 133 E HA 0.207 4.557 4.350 0.000 0.000 0.288 133 E C -1.439 175.148 176.600 -0.022 0.000 0.936 133 E CA -0.118 56.253 56.400 -0.048 0.000 0.809 133 E CB 1.023 30.681 29.700 -0.069 0.000 1.408 133 E HN 0.098 nan 8.360 nan 0.000 0.393 134 L N 2.734 123.956 121.223 -0.002 0.000 2.264 134 L HA 0.429 4.769 4.340 0.000 0.000 0.289 134 L C -0.660 176.234 176.870 0.039 0.000 1.044 134 L CA -0.845 54.005 54.840 0.016 0.000 0.807 134 L CB 1.016 43.086 42.059 0.017 0.000 1.192 134 L HN 0.189 nan 8.230 nan 0.000 0.425 135 V N 5.142 125.077 119.914 0.035 0.000 2.547 135 V HA 0.585 4.705 4.120 0.000 0.000 0.299 135 V C -0.325 175.798 176.094 0.048 0.000 1.040 135 V CA -0.607 61.725 62.300 0.054 0.000 0.913 135 V CB 1.747 33.594 31.823 0.040 0.000 0.992 135 V HN 0.505 nan 8.190 nan 0.000 0.449 136 V N 3.529 123.477 119.914 0.057 0.000 2.719 136 V HA 0.448 4.568 4.120 0.000 0.000 0.289 136 V C -1.548 174.571 176.094 0.041 0.000 1.167 136 V CA -0.546 61.779 62.300 0.043 0.000 0.929 136 V CB 1.853 33.701 31.823 0.042 0.000 1.050 136 V HN 1.035 nan 8.190 nan 0.000 0.448 137 D N 3.945 124.364 120.400 0.032 0.000 2.474 137 D HA 0.083 4.723 4.640 0.000 0.000 0.234 137 D C 0.492 176.803 176.300 0.018 0.000 1.323 137 D CA -0.257 53.758 54.000 0.025 0.000 0.915 137 D CB 2.009 42.826 40.800 0.028 0.000 1.487 137 D HN 0.484 nan 8.370 nan 0.000 0.524 138 V N 0.072 119.995 119.914 0.015 0.000 3.488 138 V HA -0.021 4.099 4.120 0.000 0.000 0.286 138 V C 1.334 177.432 176.094 0.007 0.000 1.206 138 V CA 0.641 62.947 62.300 0.010 0.000 1.238 138 V CB -1.853 29.975 31.823 0.008 0.000 1.004 138 V HN 0.774 nan 8.190 nan 0.000 0.445 139 T N -1.185 113.374 114.554 0.008 0.000 1.373 139 T HA -0.350 4.000 4.350 0.000 0.000 0.770 139 T C 0.172 174.872 174.700 0.001 0.000 0.997 139 T CA 1.222 63.325 62.100 0.005 0.000 4.056 139 T CB -1.424 67.447 68.868 0.005 0.000 2.302 139 T HN 1.574 nan 8.240 nan 0.000 0.397 140 K N 0.530 120.929 120.400 -0.002 0.000 6.074 140 K HA 0.136 4.456 4.320 0.000 0.000 0.850 140 K C -0.340 176.256 176.600 -0.007 0.000 2.043 140 K CA 0.796 57.079 56.287 -0.007 0.000 1.609 140 K CB -1.395 31.099 32.500 -0.009 0.000 2.376 140 K HN 1.234 nan 8.250 nan 0.000 0.262 141 M N 0.783 120.377 119.600 -0.008 0.000 2.310 141 M HA 0.551 5.031 4.480 0.000 0.000 0.242 141 M C -1.271 175.025 176.300 -0.007 0.000 1.000 141 M CA -0.530 54.767 55.300 -0.006 0.000 0.970 141 M CB 1.767 34.367 32.600 -0.001 0.000 2.191 141 M HN 0.546 nan 8.290 nan 0.000 0.470 142 N N 1.472 120.165 118.700 -0.010 0.000 3.501 142 N HA 0.555 5.295 4.740 0.000 0.000 0.275 142 N C -0.135 175.361 175.510 -0.022 0.000 1.320 142 N CA -0.210 52.834 53.050 -0.011 0.000 0.776 142 N CB 0.827 39.306 38.487 -0.013 0.000 1.623 142 N HN 0.949 nan 8.380 nan 0.000 0.377 143 I N 0.008 120.567 120.570 -0.019 0.000 3.954 143 I HA -0.334 3.836 4.170 0.000 0.000 0.139 143 I C 1.418 177.518 176.117 -0.029 0.000 1.037 143 I CA 1.503 62.788 61.300 -0.026 0.000 2.657 143 I CB -0.667 37.307 38.000 -0.044 0.000 1.390 143 I HN 0.779 nan 8.210 nan 0.000 0.364 144 G N 1.835 110.605 108.800 -0.051 0.000 3.375 144 G HA2 0.087 4.047 3.960 0.000 0.000 0.247 144 G HA3 0.087 4.047 3.960 0.000 0.000 0.247 144 G C -0.029 174.627 174.900 -0.407 0.000 1.343 144 G CA -0.033 45.038 45.100 -0.048 0.000 1.368 144 G HN 0.530 nan 8.290 nan 0.000 0.549 145 D N 0.717 120.921 120.400 -0.327 0.000 2.302 145 D HA 0.318 4.958 4.640 0.000 0.000 0.248 145 D C -0.262 175.795 176.300 -0.404 0.000 1.094 145 D CA 0.492 54.236 54.000 -0.427 0.000 0.897 145 D CB 0.990 41.690 40.800 -0.166 0.000 1.200 145 D HN 0.493 nan 8.370 nan 0.000 0.429 146 H N 0.054 119.107 119.070 -0.028 0.000 2.996 146 H HA 0.571 5.127 4.556 0.000 0.000 0.368 146 H C -0.370 174.933 175.328 -0.042 0.000 1.185 146 H CA -0.979 55.046 56.048 -0.039 0.000 1.160 146 H CB 2.022 31.759 29.762 -0.042 0.000 1.820 146 H HN 0.281 nan 8.280 nan 0.000 0.547 147 I N -0.630 119.977 120.570 0.062 0.000 2.769 147 I HA 0.830 5.000 4.170 0.000 0.000 0.298 147 I C -0.648 175.444 176.117 -0.042 0.000 1.128 147 I CA -0.667 60.637 61.300 0.006 0.000 1.031 147 I CB 2.664 40.663 38.000 -0.003 0.000 1.235 147 I HN 0.831 nan 8.210 nan 0.000 0.423 148 T N 1.150 115.683 114.554 -0.035 0.000 2.587 148 T HA 0.689 5.039 4.350 0.000 0.000 0.282 148 T C 1.032 175.747 174.700 0.025 0.000 1.018 148 T CA -0.072 61.988 62.100 -0.066 0.000 1.120 148 T CB 0.561 69.375 68.868 -0.091 0.000 1.538 148 T HN 1.016 nan 8.240 nan 0.000 0.480 149 A N 1.094 123.968 122.820 0.090 0.000 2.631 149 A HA 0.074 4.394 4.320 0.000 0.000 0.219 149 A C 2.282 179.906 177.584 0.066 0.000 1.306 149 A CA 3.327 55.441 52.037 0.129 0.000 1.012 149 A CB -2.149 16.919 19.000 0.112 0.000 0.726 149 A HN 1.943 nan 8.150 nan 0.000 0.541 150 G N -0.798 108.028 108.800 0.043 0.000 4.072 150 G HA2 -0.463 3.497 3.960 0.000 0.000 0.248 150 G HA3 -0.463 3.497 3.960 0.000 0.000 0.248 150 G C 0.829 175.744 174.900 0.026 0.000 0.856 150 G CA 1.938 47.054 45.100 0.028 0.000 0.713 150 G HN 0.651 nan 8.290 nan 0.000 1.477 151 D N 0.158 120.570 120.400 0.019 0.000 3.048 151 D HA -0.263 4.377 4.640 0.000 0.000 0.192 151 D C 2.239 178.553 176.300 0.023 0.000 1.125 151 D CA 1.622 55.632 54.000 0.017 0.000 0.878 151 D CB -0.503 40.304 40.800 0.012 0.000 0.924 151 D HN 0.514 nan 8.370 nan 0.000 0.496 152 I N -1.037 119.553 120.570 0.034 0.000 4.199 152 I HA -0.504 3.666 4.170 0.000 0.000 0.114 152 I C 0.176 176.312 176.117 0.032 0.000 0.624 152 I CA 2.225 63.551 61.300 0.043 0.000 0.951 152 I CB -0.437 37.593 38.000 0.051 0.000 0.827 152 I HN 0.216 nan 8.210 nan 0.000 0.217 153 K N 0.274 120.688 120.400 0.024 0.000 5.707 153 K HA -0.028 4.292 4.320 0.000 0.000 0.660 153 K C -0.764 175.847 176.600 0.018 0.000 1.386 153 K CA 0.527 56.825 56.287 0.018 0.000 1.556 153 K CB -0.834 31.677 32.500 0.018 0.000 1.957 153 K HN 0.426 nan 8.250 nan 0.000 0.357 154 L N 3.996 125.228 121.223 0.014 0.000 2.325 154 L HA 0.781 5.121 4.340 0.000 0.000 0.279 154 L C -1.689 175.186 176.870 0.009 0.000 1.054 154 L CA -1.365 53.481 54.840 0.011 0.000 0.804 154 L CB 1.056 43.119 42.059 0.008 0.000 1.200 154 L HN 0.404 nan 8.230 nan 0.000 0.436 155 P HA 0.307 nan 4.420 nan 0.000 0.296 155 P C -0.434 176.869 177.300 0.005 0.000 1.310 155 P CA -0.447 62.658 63.100 0.007 0.000 0.900 155 P CB 1.869 33.574 31.700 0.009 0.000 1.111 156 E N 2.164 122.367 120.200 0.005 0.000 3.621 156 E HA -0.308 4.042 4.350 0.000 0.000 0.387 156 E C 0.585 177.187 176.600 0.003 0.000 1.599 156 E CA 1.822 58.224 56.400 0.004 0.000 1.861 156 E CB -1.455 28.248 29.700 0.005 0.000 1.692 156 E HN 0.810 nan 8.360 nan 0.000 0.421 157 G N 0.384 109.185 108.800 0.002 0.000 2.905 157 G HA2 -0.146 3.814 3.960 0.000 0.000 0.331 157 G HA3 -0.146 3.814 3.960 0.000 0.000 0.331 157 G C 0.280 175.180 174.900 -0.001 0.000 0.230 157 G CA 0.444 45.545 45.100 0.000 0.000 1.220 157 G HN 0.554 nan 8.290 nan 0.000 0.296 158 C N 3.456 122.756 119.300 -0.001 0.000 2.305 158 C HA 0.444 4.904 4.460 0.000 0.000 0.378 158 C C 1.612 176.599 174.990 -0.004 0.000 1.047 158 C CA -0.025 58.992 59.018 -0.002 0.000 1.385 158 C CB -1.089 26.650 27.740 -0.001 0.000 1.825 158 C HN 0.902 nan 8.230 nan 0.000 0.508 159 T N 1.179 115.729 114.554 -0.006 0.000 3.556 159 T HA 0.361 4.711 4.350 0.000 0.000 0.204 159 T C 0.100 174.794 174.700 -0.011 0.000 0.896 159 T CA 0.413 62.507 62.100 -0.009 0.000 1.380 159 T CB -0.134 68.726 68.868 -0.013 0.000 1.584 159 T HN 0.464 nan 8.240 nan 0.000 0.411 160 L N 0.770 121.984 121.223 -0.015 0.000 3.159 160 L HA -0.039 4.301 4.340 0.000 0.000 0.681 160 L C 1.151 178.008 176.870 -0.022 0.000 1.292 160 L CA 0.568 55.397 54.840 -0.018 0.000 1.187 160 L CB -2.090 39.964 42.059 -0.009 0.000 1.853 160 L HN 0.501 nan 8.230 nan 0.000 0.893 161 A N -0.961 121.840 122.820 -0.030 0.000 2.125 161 A HA 0.323 4.643 4.320 0.000 0.000 0.219 161 A C 1.819 179.383 177.584 -0.033 0.000 1.156 161 A CA 1.805 53.823 52.037 -0.032 0.000 0.671 161 A CB -0.069 18.907 19.000 -0.041 0.000 0.794 161 A HN 0.960 nan 8.150 nan 0.000 0.459 162 A N -0.756 122.042 122.820 -0.037 0.000 3.176 162 A HA 0.504 4.824 4.320 0.000 0.000 0.182 162 A C 0.250 177.825 177.584 -0.014 0.000 2.036 162 A CA 0.345 52.362 52.037 -0.034 0.000 0.938 162 A CB 0.108 19.074 19.000 -0.056 0.000 1.909 162 A HN 0.379 nan 8.150 nan 0.000 0.760 163 D N -1.933 118.467 120.400 -0.000 0.000 2.609 163 D HA 0.407 5.047 4.640 0.000 0.000 0.239 163 D C -2.909 173.409 176.300 0.030 0.000 1.229 163 D CA -1.121 52.886 54.000 0.012 0.000 0.808 163 D CB 1.669 42.475 40.800 0.010 0.000 1.448 163 D HN 0.244 nan 8.370 nan 0.000 0.433 164 P HA 0.022 nan 4.420 nan 0.000 0.272 164 P C -0.431 176.890 177.300 0.035 0.000 1.248 164 P CA 0.111 63.230 63.100 0.031 0.000 0.799 164 P CB 0.305 32.017 31.700 0.019 0.000 0.997 165 E N -0.491 119.728 120.200 0.031 0.000 2.216 165 E HA -0.192 4.158 4.350 0.000 0.000 0.162 165 E C -0.609 176.004 176.600 0.023 0.000 1.642 165 E CA 1.000 57.413 56.400 0.022 0.000 0.599 165 E CB -0.791 28.918 29.700 0.015 0.000 1.045 165 E HN 0.315 nan 8.360 nan 0.000 0.308 166 L N 0.715 121.953 121.223 0.026 0.000 2.921 166 L HA 0.031 4.371 4.340 0.000 0.000 0.261 166 L C 0.980 177.818 176.870 -0.054 0.000 0.984 166 L CA 0.568 55.422 54.840 0.023 0.000 0.951 166 L CB 1.231 43.335 42.059 0.075 0.000 1.495 166 L HN 0.479 nan 8.230 nan 0.000 0.414 167 T N -0.894 113.596 114.554 -0.108 0.000 3.127 167 T HA -0.214 4.136 4.350 0.000 0.000 0.372 167 T C 1.423 175.287 174.700 -1.393 0.000 0.778 167 T CA 1.298 63.199 62.100 -0.333 0.000 2.381 167 T CB -1.816 67.096 68.868 0.074 0.000 1.652 167 T HN 0.410 nan 8.240 nan 0.000 0.556 168 V N -0.034 119.023 119.914 -1.429 0.000 2.244 168 V HA 0.061 4.181 4.120 0.000 0.000 0.235 168 V C 1.418 177.259 176.094 -0.423 0.000 1.026 168 V CA 1.732 63.385 62.300 -1.080 0.000 0.990 168 V CB -0.197 31.442 31.823 -0.307 0.000 0.640 168 V HN 0.727 nan 8.190 nan 0.000 0.463 169 V N -1.641 118.142 119.914 -0.218 0.000 3.174 169 V HA 0.549 4.669 4.120 0.000 0.000 0.280 169 V C -0.897 175.168 176.094 -0.049 0.000 1.554 169 V CA -0.091 62.146 62.300 -0.105 0.000 1.016 169 V CB 1.880 33.670 31.823 -0.056 0.000 1.197 169 V HN 0.641 nan 8.190 nan 0.000 0.453 170 S N 1.151 116.840 115.700 -0.018 0.000 2.651 170 S HA 0.923 5.393 4.470 0.000 0.000 0.279 170 S C -0.849 173.789 174.600 0.063 0.000 1.148 170 S CA -0.377 57.860 58.200 0.062 0.000 0.837 170 S CB 1.945 65.205 63.200 0.100 0.000 1.138 170 S HN 1.926 nan 8.310 nan 0.000 0.478 171 V N 0.028 120.010 119.914 0.114 0.000 2.532 171 V HA 0.887 5.007 4.120 0.000 0.000 0.295 171 V C -0.464 175.687 176.094 0.095 0.000 1.041 171 V CA -0.695 61.646 62.300 0.068 0.000 0.926 171 V CB 0.832 32.678 31.823 0.039 0.000 0.992 171 V HN 1.045 nan 8.190 nan 0.000 0.457 172 L N 4.529 125.780 121.223 0.047 0.000 2.393 172 L HA 0.727 5.067 4.340 0.000 0.000 0.260 172 L C -2.664 174.219 176.870 0.021 0.000 1.002 172 L CA -2.152 52.710 54.840 0.037 0.000 0.818 172 L CB 3.259 45.324 42.059 0.010 0.000 1.369 172 L HN 0.552 nan 8.230 nan 0.000 0.412 173 P HA 0.146 nan 4.420 nan 0.000 0.269 173 P C -2.372 174.931 177.300 0.006 0.000 1.252 173 P CA -1.068 62.038 63.100 0.011 0.000 0.780 173 P CB 0.673 32.380 31.700 0.012 0.000 0.829 174 P HA -0.048 nan 4.420 nan 0.000 0.226 174 P C 0.826 178.127 177.300 0.001 0.000 1.153 174 P CA 1.126 64.227 63.100 0.002 0.000 0.777 174 P CB 0.548 32.249 31.700 0.002 0.000 0.794 175 R N -2.075 118.426 120.500 0.002 0.000 3.054 175 R HA 0.395 4.735 4.340 0.000 0.000 0.112 175 R C 0.508 176.809 176.300 0.003 0.000 0.821 175 R CA 0.083 56.184 56.100 0.002 0.000 2.011 175 R CB 0.731 31.032 30.300 0.001 0.000 1.632 175 R HN 0.169 nan 8.270 nan 0.000 0.493 176 L N 0.437 121.662 121.223 0.004 0.000 3.002 176 L HA 0.449 4.789 4.340 0.000 0.000 0.267 176 L C -1.743 175.130 176.870 0.005 0.000 0.997 176 L CA -0.309 54.534 54.840 0.005 0.000 0.961 176 L CB 2.184 44.245 42.059 0.003 0.000 1.502 176 L HN 0.269 nan 8.230 nan 0.000 0.408 177 T N 0.000 114.557 114.554 0.006 0.000 3.816 177 T HA 0.000 4.350 4.350 0.000 0.000 0.228 177 T CA 0.000 62.103 62.100 0.004 0.000 1.349 177 T CB 0.000 68.873 68.868 0.007 0.000 0.612 177 T HN 0.000 nan 8.240 nan 0.000 0.658