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 2qq1_1_B DATA FIRST_RESID 4 DATA SEQUENCE KKAVIGVVTI SDRASKGIYE DISGKAIIDY LKDVIITPFE VEYRVIPDER DATA SEQUENCE DLIEKTLIEL ADEKGCSLIL TTGGTGPAPR DVTPEATEAV CEKMLPGFGE DATA SEQUENCE LMRQVSLKQV PTAILSRQTA GIRGSCLIVN LPGKPQSIKV CLDAVMPAIP DATA SEQUENCE YCIDLIGGAY IDTDPNKVKA FRP 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.638 176.600 0.063 0.000 0.988 4 K CA 0.000 56.316 56.287 0.048 0.000 0.838 4 K CB 0.000 32.528 32.500 0.046 0.000 1.064 5 K N 1.318 121.752 120.400 0.056 0.000 2.368 5 K HA 0.298 4.618 4.320 -0.000 0.000 0.282 5 K C -0.155 176.496 176.600 0.085 0.000 1.035 5 K CA -0.161 56.166 56.287 0.067 0.000 0.973 5 K CB 0.915 33.445 32.500 0.051 0.000 0.957 5 K HN 0.601 nan 8.250 nan 0.000 0.474 6 A N 3.184 126.073 122.820 0.116 0.000 2.438 6 A HA 0.294 4.614 4.320 -0.000 0.000 0.280 6 A C -0.418 177.265 177.584 0.165 0.000 1.160 6 A CA -0.450 51.669 52.037 0.136 0.000 0.821 6 A CB 0.015 19.117 19.000 0.169 0.000 1.101 6 A HN 0.439 nan 8.150 nan 0.000 0.515 7 V N 4.886 124.875 119.914 0.125 0.000 2.487 7 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 7 V C -0.234 175.930 176.094 0.117 0.000 1.028 7 V CA -0.252 62.128 62.300 0.134 0.000 0.860 7 V CB 1.523 33.398 31.823 0.087 0.000 0.991 7 V HN 0.749 nan 8.190 nan 0.000 0.427 8 I N 3.467 124.132 120.570 0.158 0.000 2.433 8 I HA 0.649 4.819 4.170 -0.000 0.000 0.292 8 I C 0.736 176.915 176.117 0.104 0.000 1.001 8 I CA -0.382 60.978 61.300 0.100 0.000 1.119 8 I CB 2.003 40.040 38.000 0.063 0.000 1.289 8 I HN 0.725 nan 8.210 nan 0.000 0.438 9 G N 5.036 113.878 108.800 0.070 0.000 2.367 9 G HA2 0.588 4.548 3.960 -0.000 0.000 0.314 9 G HA3 0.588 4.548 3.960 -0.000 0.000 0.314 9 G C -0.920 174.029 174.900 0.081 0.000 1.130 9 G CA -0.323 44.824 45.100 0.079 0.000 0.864 9 G HN 0.349 nan 8.290 nan 0.000 0.486 10 V N 2.574 122.565 119.914 0.128 0.000 2.380 10 V HA 0.305 4.425 4.120 -0.000 0.000 0.286 10 V C -0.372 175.843 176.094 0.203 0.000 1.015 10 V CA -0.619 61.765 62.300 0.139 0.000 0.834 10 V CB 1.502 33.395 31.823 0.117 0.000 1.009 10 V HN 0.538 nan 8.190 nan 0.000 0.428 11 V N 3.866 123.850 119.914 0.118 0.000 2.357 11 V HA 0.427 4.547 4.120 -0.000 0.000 0.284 11 V C 0.375 176.518 176.094 0.082 0.000 1.018 11 V CA -0.252 62.101 62.300 0.088 0.000 0.841 11 V CB 1.925 33.770 31.823 0.037 0.000 0.991 11 V HN 0.851 nan 8.190 nan 0.000 0.437 12 T N 6.591 121.198 114.554 0.088 0.000 2.743 12 T HA 0.553 4.903 4.350 -0.000 0.000 0.292 12 T C -0.147 174.568 174.700 0.026 0.000 0.972 12 T CA -0.036 62.108 62.100 0.074 0.000 0.967 12 T CB 0.539 69.477 68.868 0.118 0.000 0.926 12 T HN 0.342 nan 8.240 nan 0.000 0.459 13 I N 3.653 124.237 120.570 0.023 0.000 2.282 13 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 13 I C 0.358 176.485 176.117 0.017 0.000 1.090 13 I CA 0.201 61.508 61.300 0.011 0.000 1.231 13 I CB 0.730 38.735 38.000 0.009 0.000 1.434 13 I HN 0.492 nan 8.210 nan 0.000 0.487 14 S N 3.406 119.115 115.700 0.015 0.000 2.566 14 S HA 0.362 4.832 4.470 -0.000 0.000 0.273 14 S C 0.103 174.714 174.600 0.019 0.000 1.157 14 S CA -0.601 57.614 58.200 0.024 0.000 0.938 14 S CB 1.259 64.482 63.200 0.039 0.000 1.087 14 S HN 0.554 nan 8.310 nan 0.000 0.474 15 D N 2.388 122.802 120.400 0.022 0.000 2.120 15 D HA 0.084 4.724 4.640 -0.000 0.000 0.202 15 D C 1.833 178.150 176.300 0.028 0.000 0.972 15 D CA 1.111 55.122 54.000 0.018 0.000 0.837 15 D CB 0.168 40.978 40.800 0.015 0.000 0.989 15 D HN 0.551 nan 8.370 nan 0.000 0.469 16 R N 0.487 121.013 120.500 0.044 0.000 2.120 16 R HA 0.066 4.406 4.340 -0.000 0.000 0.234 16 R C 1.984 178.333 176.300 0.082 0.000 1.123 16 R CA 1.235 57.374 56.100 0.065 0.000 0.975 16 R CB -0.390 29.962 30.300 0.087 0.000 0.866 16 R HN 0.094 nan 8.270 nan 0.000 0.446 17 A N 0.483 123.343 122.820 0.067 0.000 1.935 17 A HA -0.048 4.271 4.320 -0.000 0.000 0.214 17 A C 2.006 179.602 177.584 0.020 0.000 1.178 17 A CA 1.083 53.150 52.037 0.050 0.000 0.640 17 A CB -0.394 18.629 19.000 0.038 0.000 0.825 17 A HN 0.373 nan 8.150 nan 0.000 0.447 18 S N -0.275 115.430 115.700 0.008 0.000 2.515 18 S HA 0.007 4.476 4.470 -0.000 0.000 0.231 18 S C 1.396 175.995 174.600 -0.002 0.000 0.987 18 S CA 1.074 59.268 58.200 -0.011 0.000 0.936 18 S CB -0.163 63.028 63.200 -0.015 0.000 0.766 18 S HN 0.572 nan 8.310 nan 0.000 0.528 19 K N 0.513 120.921 120.400 0.014 0.000 2.367 19 K HA 0.297 4.617 4.320 -0.000 0.000 0.194 19 K C 1.222 177.836 176.600 0.024 0.000 1.027 19 K CA 0.365 56.661 56.287 0.016 0.000 1.075 19 K CB 0.101 32.614 32.500 0.021 0.000 0.845 19 K HN 0.477 nan 8.250 nan 0.000 0.529 20 G N 1.699 110.518 108.800 0.031 0.000 2.148 20 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 20 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 20 G C 0.768 175.707 174.900 0.066 0.000 0.981 20 G CA 0.284 45.407 45.100 0.039 0.000 0.670 20 G HN 0.291 nan 8.290 nan 0.000 0.528 21 I N -1.469 119.148 120.570 0.078 0.000 2.439 21 I HA 0.159 4.329 4.170 -0.000 0.000 0.251 21 I C 1.236 177.468 176.117 0.191 0.000 1.139 21 I CA 1.171 62.528 61.300 0.095 0.000 1.438 21 I CB 0.021 38.062 38.000 0.068 0.000 1.085 21 I HN 0.418 nan 8.210 nan 0.000 0.427 22 Y N -0.040 120.268 120.300 0.014 0.000 2.625 22 Y HA 0.291 4.841 4.550 -0.000 0.000 0.338 22 Y C -0.338 175.578 175.900 0.026 0.000 1.123 22 Y CA -1.283 56.828 58.100 0.018 0.000 1.046 22 Y CB 1.598 40.069 38.460 0.017 0.000 1.299 22 Y HN -0.172 nan 8.280 nan 0.000 0.464 23 E N 2.088 121.989 120.200 -0.499 0.000 2.338 23 E HA -0.004 4.346 4.350 -0.000 0.000 0.272 23 E C -1.264 175.081 176.600 -0.426 0.000 1.029 23 E CA -0.357 55.789 56.400 -0.423 0.000 0.872 23 E CB 0.716 30.158 29.700 -0.430 0.000 1.015 23 E HN 0.485 nan 8.360 nan 0.000 0.417 24 D N 5.322 125.628 120.400 -0.156 0.000 2.517 24 D HA 0.015 4.655 4.640 -0.000 0.000 0.220 24 D C 1.195 177.453 176.300 -0.070 0.000 1.158 24 D CA -0.192 53.769 54.000 -0.065 0.000 0.992 24 D CB -0.221 40.626 40.800 0.079 0.000 1.058 24 D HN 0.555 nan 8.370 nan 0.000 0.516 25 I N -0.412 120.080 120.570 -0.129 0.000 2.614 25 I HA -0.122 4.048 4.170 -0.000 0.000 0.258 25 I C 1.440 177.535 176.117 -0.038 0.000 1.189 25 I CA 0.281 61.529 61.300 -0.087 0.000 1.462 25 I CB -0.127 37.820 38.000 -0.088 0.000 1.092 25 I HN 0.052 nan 8.210 nan 0.000 0.442 26 S N 1.987 117.676 115.700 -0.018 0.000 2.335 26 S HA 0.008 4.478 4.470 -0.000 0.000 0.217 26 S C 2.127 176.725 174.600 -0.002 0.000 1.032 26 S CA 1.337 59.537 58.200 -0.000 0.000 0.985 26 S CB -0.878 62.333 63.200 0.018 0.000 0.896 26 S HN 0.686 nan 8.310 nan 0.000 0.445 27 G N 1.826 110.641 108.800 0.025 0.000 2.446 27 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 27 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 27 G C 1.305 176.118 174.900 -0.145 0.000 1.168 27 G CA 1.194 46.292 45.100 -0.004 0.000 0.771 27 G HN 0.491 nan 8.290 nan 0.000 0.551 28 K N 0.656 120.978 120.400 -0.130 0.000 2.063 28 K HA -0.034 4.286 4.320 -0.000 0.000 0.208 28 K C 2.746 179.302 176.600 -0.072 0.000 1.048 28 K CA 1.427 57.633 56.287 -0.136 0.000 0.928 28 K CB -0.356 32.093 32.500 -0.084 0.000 0.713 28 K HN 0.213 nan 8.250 nan 0.000 0.442 29 A N 1.346 124.144 122.820 -0.037 0.000 1.902 29 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 29 A C 2.094 179.696 177.584 0.029 0.000 1.181 29 A CA 1.604 53.642 52.037 0.002 0.000 0.623 29 A CB -0.554 18.446 19.000 0.001 0.000 0.818 29 A HN 0.372 nan 8.150 nan 0.000 0.443 30 I N -0.503 120.064 120.570 -0.005 0.000 2.202 30 I HA -0.245 3.924 4.170 -0.000 0.000 0.242 30 I C 2.299 178.445 176.117 0.048 0.000 1.091 30 I CA 1.331 62.637 61.300 0.011 0.000 1.368 30 I CB -0.342 37.645 38.000 -0.022 0.000 1.058 30 I HN 0.296 nan 8.210 nan 0.000 0.410 31 I N 0.660 121.216 120.570 -0.023 0.000 2.226 31 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 31 I C 2.049 178.198 176.117 0.054 0.000 1.100 31 I CA 1.309 62.606 61.300 -0.006 0.000 1.374 31 I CB -0.464 37.458 38.000 -0.131 0.000 1.057 31 I HN 0.232 nan 8.210 nan 0.000 0.413 32 D N 0.064 120.486 120.400 0.037 0.000 2.117 32 D HA -0.233 4.407 4.640 -0.000 0.000 0.197 32 D C 1.921 178.266 176.300 0.074 0.000 0.987 32 D CA 1.348 55.376 54.000 0.046 0.000 0.829 32 D CB -0.406 40.413 40.800 0.031 0.000 0.961 32 D HN 0.356 nan 8.370 nan 0.000 0.460 33 Y N 1.483 121.778 120.300 -0.009 0.000 2.097 33 Y HA -0.200 4.350 4.550 -0.000 0.000 0.282 33 Y C 2.286 178.177 175.900 -0.015 0.000 1.152 33 Y CA 1.429 59.521 58.100 -0.012 0.000 1.136 33 Y CB -0.370 38.077 38.460 -0.021 0.000 0.975 33 Y HN -0.098 nan 8.280 nan 0.000 0.498 34 L N 0.131 121.457 121.223 0.171 0.000 2.012 34 L HA -0.296 4.044 4.340 -0.000 0.000 0.210 34 L C 2.430 179.319 176.870 0.030 0.000 1.073 34 L CA 1.973 56.825 54.840 0.021 0.000 0.748 34 L CB -0.623 41.432 42.059 -0.005 0.000 0.891 34 L HN 0.183 nan 8.230 nan 0.000 0.431 35 K N -0.356 120.153 120.400 0.183 0.000 2.097 35 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 35 K C 1.741 178.382 176.600 0.068 0.000 1.049 35 K CA 1.721 58.140 56.287 0.221 0.000 0.933 35 K CB -0.205 32.376 32.500 0.135 0.000 0.717 35 K HN 0.257 nan 8.250 nan 0.000 0.442 36 D N 0.346 120.722 120.400 -0.041 0.000 2.123 36 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 36 D C 1.766 177.974 176.300 -0.155 0.000 0.976 36 D CA 1.282 55.217 54.000 -0.108 0.000 0.831 36 D CB 0.295 40.995 40.800 -0.167 0.000 0.974 36 D HN 0.072 nan 8.370 nan 0.000 0.469 37 V N -1.144 118.613 119.914 -0.261 0.000 2.992 37 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 37 V C 1.146 177.163 176.094 -0.129 0.000 1.090 37 V CA -0.032 62.123 62.300 -0.240 0.000 1.101 37 V CB -0.448 31.133 31.823 -0.403 0.000 0.743 37 V HN 0.025 nan 8.190 nan 0.000 0.468 38 I N 1.960 122.466 120.570 -0.106 0.000 2.496 38 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 38 I C 1.120 177.269 176.117 0.053 0.000 1.080 38 I CA 0.030 61.289 61.300 -0.067 0.000 1.404 38 I CB 1.400 39.261 38.000 -0.231 0.000 1.403 38 I HN 0.323 nan 8.210 nan 0.000 0.539 39 I N 1.372 121.970 120.570 0.048 0.000 4.082 39 I HA 0.200 4.370 4.170 -0.000 0.000 0.337 39 I C 0.443 176.628 176.117 0.113 0.000 1.352 39 I CA -0.216 61.129 61.300 0.075 0.000 1.097 39 I CB 0.053 38.081 38.000 0.047 0.000 1.048 39 I HN 0.526 nan 8.210 nan 0.000 0.393 40 T N -0.084 114.558 114.554 0.147 0.000 2.945 40 T HA 0.556 4.906 4.350 -0.000 0.000 0.286 40 T C -2.634 172.219 174.700 0.256 0.000 1.025 40 T CA -1.924 60.286 62.100 0.184 0.000 1.039 40 T CB 1.408 70.391 68.868 0.193 0.000 1.068 40 T HN -0.023 nan 8.240 nan 0.000 0.497 41 P HA 0.329 nan 4.420 nan 0.000 0.267 41 P C -1.017 176.434 177.300 0.250 0.000 1.205 41 P CA -0.160 63.031 63.100 0.152 0.000 0.765 41 P CB -0.107 31.643 31.700 0.083 0.000 0.828 42 F N -0.273 119.694 119.950 0.027 0.000 2.693 42 F HA 0.665 5.191 4.527 -0.000 0.000 0.309 42 F C -1.304 174.508 175.800 0.020 0.000 1.129 42 F CA -1.070 56.945 58.000 0.025 0.000 0.948 42 F CB 1.401 40.414 39.000 0.022 0.000 1.315 42 F HN 0.059 nan 8.300 nan 0.000 0.447 43 E N 1.222 121.456 120.200 0.058 0.000 2.299 43 E HA 0.662 5.012 4.350 -0.000 0.000 0.265 43 E C -1.432 175.264 176.600 0.160 0.000 0.911 43 E CA -0.933 55.439 56.400 -0.046 0.000 0.789 43 E CB 2.903 32.598 29.700 -0.008 0.000 1.246 43 E HN 0.566 nan 8.360 nan 0.000 0.427 44 V N 1.915 121.886 119.914 0.095 0.000 2.495 44 V HA 0.247 4.367 4.120 -0.000 0.000 0.298 44 V C -0.234 175.934 176.094 0.124 0.000 1.031 44 V CA -0.709 61.687 62.300 0.160 0.000 0.871 44 V CB 1.788 33.704 31.823 0.155 0.000 0.988 44 V HN 0.438 nan 8.190 nan 0.000 0.432 45 E N 3.809 124.089 120.200 0.134 0.000 2.070 45 E HA 0.243 4.593 4.350 -0.000 0.000 0.261 45 E C -1.344 175.365 176.600 0.181 0.000 0.926 45 E CA -0.485 55.989 56.400 0.123 0.000 0.760 45 E CB 1.432 31.183 29.700 0.085 0.000 1.133 45 E HN 0.579 nan 8.360 nan 0.000 0.420 46 Y N 3.841 124.159 120.300 0.029 0.000 2.313 46 Y HA 0.338 4.888 4.550 -0.000 0.000 0.332 46 Y C -0.505 175.403 175.900 0.014 0.000 1.071 46 Y CA -0.720 57.395 58.100 0.024 0.000 1.169 46 Y CB 0.653 39.127 38.460 0.024 0.000 1.192 46 Y HN 0.199 nan 8.280 nan 0.000 0.487 47 R N 5.065 125.486 120.500 -0.131 0.000 2.564 47 R HA 0.536 4.876 4.340 -0.000 0.000 0.284 47 R C -1.887 174.224 176.300 -0.315 0.000 1.031 47 R CA -0.999 54.944 56.100 -0.262 0.000 0.904 47 R CB 1.810 32.060 30.300 -0.083 0.000 1.199 47 R HN 0.487 nan 8.270 nan 0.000 0.443 48 V N 5.062 124.765 119.914 -0.352 0.000 2.378 48 V HA 0.557 4.677 4.120 -0.000 0.000 0.288 48 V C 0.315 176.337 176.094 -0.120 0.000 1.016 48 V CA -0.684 61.486 62.300 -0.217 0.000 0.840 48 V CB 1.478 33.154 31.823 -0.244 0.000 0.994 48 V HN 0.681 nan 8.190 nan 0.000 0.431 49 I N 2.979 123.510 120.570 -0.066 0.000 3.042 49 I HA 0.800 4.970 4.170 -0.000 0.000 0.310 49 I C -2.930 173.174 176.117 -0.022 0.000 1.117 49 I CA -2.979 58.295 61.300 -0.043 0.000 1.003 49 I CB 2.609 40.588 38.000 -0.035 0.000 1.228 49 I HN 0.297 nan 8.210 nan 0.000 0.443 50 P HA 0.086 nan 4.420 nan 0.000 0.274 50 P C -1.063 176.234 177.300 -0.004 0.000 1.246 50 P CA -0.086 63.010 63.100 -0.007 0.000 0.795 50 P CB 0.374 32.070 31.700 -0.007 0.000 1.006 51 D N 0.489 120.889 120.400 0.000 0.000 2.845 51 D HA 0.012 4.652 4.640 -0.000 0.000 0.235 51 D C -0.700 175.599 176.300 -0.001 0.000 1.158 51 D CA 0.006 54.006 54.000 0.001 0.000 0.990 51 D CB -0.501 40.302 40.800 0.004 0.000 1.094 51 D HN 0.337 nan 8.370 nan 0.000 0.486 52 E N 1.113 121.311 120.200 -0.003 0.000 2.102 52 E HA 0.158 4.507 4.350 -0.000 0.000 0.263 52 E C 0.952 177.549 176.600 -0.005 0.000 0.894 52 E CA -0.675 55.722 56.400 -0.004 0.000 0.746 52 E CB 2.196 31.893 29.700 -0.005 0.000 1.129 52 E HN 0.176 nan 8.360 nan 0.000 0.416 53 R N 2.727 123.225 120.500 -0.004 0.000 2.153 53 R HA -0.285 4.055 4.340 -0.000 0.000 0.252 53 R C 1.428 177.724 176.300 -0.006 0.000 1.158 53 R CA 2.360 58.457 56.100 -0.005 0.000 0.975 53 R CB 0.042 30.339 30.300 -0.004 0.000 0.871 53 R HN 0.556 nan 8.270 nan 0.000 0.450 54 D N -0.109 120.288 120.400 -0.006 0.000 2.087 54 D HA -0.213 4.427 4.640 -0.000 0.000 0.192 54 D C 1.788 178.084 176.300 -0.007 0.000 0.993 54 D CA 1.333 55.329 54.000 -0.006 0.000 0.828 54 D CB -0.126 40.671 40.800 -0.006 0.000 0.968 54 D HN 0.227 nan 8.370 nan 0.000 0.448 55 L N 0.172 121.390 121.223 -0.008 0.000 2.201 55 L HA 0.080 4.420 4.340 -0.000 0.000 0.212 55 L C 2.010 178.874 176.870 -0.010 0.000 1.105 55 L CA 1.164 55.998 54.840 -0.010 0.000 0.775 55 L CB -0.359 41.693 42.059 -0.012 0.000 0.913 55 L HN 0.250 nan 8.230 nan 0.000 0.440 56 I N -0.892 119.672 120.570 -0.009 0.000 2.202 56 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 56 I C 2.302 178.414 176.117 -0.009 0.000 1.091 56 I CA 1.203 62.498 61.300 -0.009 0.000 1.368 56 I CB -0.334 37.662 38.000 -0.007 0.000 1.058 56 I HN 0.273 nan 8.210 nan 0.000 0.410 57 E N 1.006 121.201 120.200 -0.009 0.000 2.077 57 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 57 E C 2.165 178.759 176.600 -0.009 0.000 0.989 57 E CA 1.121 57.515 56.400 -0.010 0.000 0.800 57 E CB 0.014 29.708 29.700 -0.009 0.000 0.746 57 E HN 0.424 nan 8.360 nan 0.000 0.452 58 K N -0.008 120.387 120.400 -0.009 0.000 2.097 58 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 58 K C 2.242 178.837 176.600 -0.008 0.000 1.050 58 K CA 1.317 57.599 56.287 -0.008 0.000 0.938 58 K CB -0.045 32.450 32.500 -0.008 0.000 0.718 58 K HN 0.032 nan 8.250 nan 0.000 0.442 59 T N 2.061 116.609 114.554 -0.009 0.000 2.737 59 T HA -0.072 4.278 4.350 -0.000 0.000 0.265 59 T C 1.857 176.554 174.700 -0.005 0.000 1.038 59 T CA 0.981 63.076 62.100 -0.008 0.000 1.144 59 T CB -0.160 68.701 68.868 -0.011 0.000 0.866 59 T HN 0.099 nan 8.240 nan 0.000 0.434 60 L N 0.256 121.475 121.223 -0.007 0.000 2.083 60 L HA -0.044 4.295 4.340 -0.000 0.000 0.209 60 L C 2.452 179.318 176.870 -0.008 0.000 1.083 60 L CA 1.217 56.052 54.840 -0.008 0.000 0.752 60 L CB -0.596 41.455 42.059 -0.014 0.000 0.899 60 L HN 0.271 nan 8.230 nan 0.000 0.433 61 I N -0.338 120.227 120.570 -0.008 0.000 2.252 61 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 61 I C 2.664 178.779 176.117 -0.003 0.000 1.102 61 I CA 1.222 62.518 61.300 -0.007 0.000 1.385 61 I CB -0.210 37.786 38.000 -0.007 0.000 1.064 61 I HN 0.341 nan 8.210 nan 0.000 0.414 62 E N 1.407 121.606 120.200 -0.002 0.000 2.051 62 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 62 E C 2.396 178.998 176.600 0.004 0.000 0.991 62 E CA 1.183 57.583 56.400 0.000 0.000 0.799 62 E CB 0.002 29.702 29.700 -0.001 0.000 0.748 62 E HN 0.436 nan 8.360 nan 0.000 0.449 63 L N 0.271 121.498 121.223 0.006 0.000 2.046 63 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 63 L C 2.664 179.541 176.870 0.011 0.000 1.077 63 L CA 1.269 56.117 54.840 0.013 0.000 0.747 63 L CB -0.448 41.620 42.059 0.016 0.000 0.896 63 L HN 0.240 nan 8.230 nan 0.000 0.432 64 A N -0.425 122.398 122.820 0.004 0.000 1.898 64 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 64 A C 1.841 179.427 177.584 0.003 0.000 1.183 64 A CA 1.610 53.648 52.037 0.001 0.000 0.622 64 A CB -0.341 18.654 19.000 -0.007 0.000 0.824 64 A HN 0.318 nan 8.150 nan 0.000 0.444 65 D N -0.469 119.932 120.400 0.001 0.000 2.162 65 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 65 D C 1.934 178.237 176.300 0.004 0.000 0.964 65 D CA 1.320 55.321 54.000 0.001 0.000 0.847 65 D CB -0.165 40.635 40.800 -0.001 0.000 0.988 65 D HN 0.617 nan 8.370 nan 0.000 0.480 66 E N -0.229 119.974 120.200 0.005 0.000 2.201 66 E HA 0.057 4.407 4.350 -0.000 0.000 0.193 66 E C 1.393 177.999 176.600 0.011 0.000 0.957 66 E CA 0.356 56.760 56.400 0.007 0.000 0.858 66 E CB 0.378 30.081 29.700 0.005 0.000 0.816 66 E HN -0.044 nan 8.360 nan 0.000 0.475 67 K N 0.102 120.510 120.400 0.014 0.000 2.404 67 K HA 0.085 4.404 4.320 -0.000 0.000 0.194 67 K C 0.806 177.421 176.600 0.025 0.000 1.023 67 K CA 0.528 56.827 56.287 0.021 0.000 1.094 67 K CB 0.720 33.236 32.500 0.025 0.000 0.841 67 K HN 0.250 nan 8.250 nan 0.000 0.523 68 G N 2.093 110.905 108.800 0.020 0.000 2.305 68 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.287 68 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.287 68 G C 0.339 175.256 174.900 0.028 0.000 1.036 68 G CA 0.261 45.374 45.100 0.022 0.000 0.887 68 G HN 0.304 nan 8.290 nan 0.000 0.505 69 C N 0.032 119.348 119.300 0.027 0.000 2.662 69 C HA 0.484 4.944 4.460 -0.000 0.000 0.420 69 C C 1.980 176.981 174.990 0.018 0.000 1.314 69 C CA 0.412 59.448 59.018 0.031 0.000 1.963 69 C CB 1.247 29.004 27.740 0.028 0.000 2.686 69 C HN 0.556 nan 8.230 nan 0.000 0.609 70 S N 0.683 116.395 115.700 0.019 0.000 2.511 70 S HA 0.226 4.696 4.470 -0.000 0.000 0.214 70 S C -0.095 174.498 174.600 -0.012 0.000 0.997 70 S CA 0.056 58.260 58.200 0.005 0.000 0.908 70 S CB -0.068 63.140 63.200 0.014 0.000 0.803 70 S HN 0.644 nan 8.310 nan 0.000 0.504 71 L N 1.001 122.219 121.223 -0.009 0.000 2.513 71 L HA 0.602 4.942 4.340 -0.000 0.000 0.261 71 L C -2.050 174.812 176.870 -0.013 0.000 0.945 71 L CA -0.402 54.423 54.840 -0.025 0.000 0.848 71 L CB 1.532 43.572 42.059 -0.031 0.000 1.334 71 L HN -0.008 nan 8.230 nan 0.000 0.407 72 I N 5.696 126.249 120.570 -0.028 0.000 2.499 72 I HA 0.430 4.600 4.170 -0.000 0.000 0.288 72 I C -1.151 174.952 176.117 -0.024 0.000 1.048 72 I CA -0.549 60.744 61.300 -0.013 0.000 1.062 72 I CB 1.970 39.961 38.000 -0.014 0.000 1.238 72 I HN 0.440 nan 8.210 nan 0.000 0.426 73 L N 5.915 127.135 121.223 -0.005 0.000 2.305 73 L HA 0.512 4.852 4.340 -0.000 0.000 0.284 73 L C 0.279 177.152 176.870 0.006 0.000 1.013 73 L CA -0.501 54.333 54.840 -0.011 0.000 0.819 73 L CB 1.854 43.906 42.059 -0.012 0.000 1.227 73 L HN 0.616 nan 8.230 nan 0.000 0.417 74 T N -1.024 113.528 114.554 -0.003 0.000 2.943 74 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 74 T C -0.190 174.516 174.700 0.009 0.000 1.015 74 T CA -0.695 61.411 62.100 0.009 0.000 1.042 74 T CB 2.164 71.032 68.868 -0.001 0.000 1.055 74 T HN 0.495 nan 8.240 nan 0.000 0.500 75 T N 0.164 114.731 114.554 0.020 0.000 2.991 75 T HA 0.647 4.997 4.350 -0.000 0.000 0.303 75 T C -0.170 174.543 174.700 0.022 0.000 1.015 75 T CA 0.706 62.817 62.100 0.018 0.000 1.007 75 T CB 0.257 69.138 68.868 0.022 0.000 1.034 75 T HN 2.012 nan 8.240 nan 0.000 0.446 76 G N 2.051 110.861 108.800 0.016 0.000 2.617 76 G HA2 0.422 4.382 3.960 -0.000 0.000 0.686 76 G HA3 0.422 4.382 3.960 -0.000 0.000 0.686 76 G C 0.549 175.457 174.900 0.012 0.000 1.214 76 G CA 0.336 45.447 45.100 0.018 0.000 0.796 76 G HN 2.154 nan 8.290 nan 0.000 0.654 77 G N -0.708 108.099 108.800 0.012 0.000 2.295 77 G HA2 0.195 4.155 3.960 -0.000 0.000 0.287 77 G HA3 0.195 4.155 3.960 -0.000 0.000 0.287 77 G C 0.823 175.727 174.900 0.006 0.000 1.055 77 G CA 1.524 46.629 45.100 0.008 0.000 0.922 77 G HN 2.638 nan 8.290 nan 0.000 0.503 78 T N -3.034 111.524 114.554 0.006 0.000 3.339 78 T HA 0.622 4.972 4.350 -0.000 0.000 0.292 78 T C 1.068 175.771 174.700 0.005 0.000 1.012 78 T CA 0.743 62.846 62.100 0.005 0.000 0.937 78 T CB 1.106 69.977 68.868 0.005 0.000 1.164 78 T HN 1.296 nan 8.240 nan 0.000 0.509 79 G N 2.049 110.853 108.800 0.006 0.000 2.671 79 G HA2 0.605 4.565 3.960 -0.000 0.000 0.275 79 G HA3 0.605 4.565 3.960 -0.000 0.000 0.275 79 G C -1.565 173.338 174.900 0.004 0.000 1.368 79 G CA -1.584 43.520 45.100 0.006 0.000 1.044 79 G HN 0.053 nan 8.290 nan 0.000 0.543 80 P HA 0.118 nan 4.420 nan 0.000 0.231 80 P C 0.853 178.155 177.300 0.003 0.000 1.168 80 P CA 0.632 63.734 63.100 0.003 0.000 0.779 80 P CB 0.125 31.827 31.700 0.003 0.000 0.844 81 A N 2.763 125.586 122.820 0.004 0.000 2.531 81 A HA 0.150 4.470 4.320 -0.000 0.000 0.236 81 A C -0.707 176.879 177.584 0.003 0.000 1.062 81 A CA -0.784 51.255 52.037 0.003 0.000 0.760 81 A CB -0.585 18.418 19.000 0.004 0.000 0.995 81 A HN 0.108 nan 8.150 nan 0.000 0.501 82 P HA -0.174 nan 4.420 nan 0.000 0.221 82 P C 0.946 178.247 177.300 0.002 0.000 1.145 82 P CA 1.209 64.310 63.100 0.001 0.000 0.795 82 P CB 0.120 31.821 31.700 0.001 0.000 0.775 83 R N -0.516 119.985 120.500 0.002 0.000 2.275 83 R HA 0.044 4.384 4.340 -0.000 0.000 0.199 83 R C -0.016 176.286 176.300 0.003 0.000 0.989 83 R CA 0.278 56.379 56.100 0.003 0.000 1.016 83 R CB -0.250 30.052 30.300 0.003 0.000 0.918 83 R HN 0.169 nan 8.270 nan 0.000 0.473 84 D N 1.399 121.801 120.400 0.003 0.000 2.455 84 D HA 0.001 4.641 4.640 -0.000 0.000 0.234 84 D C 0.668 176.969 176.300 0.002 0.000 1.224 84 D CA 0.220 54.222 54.000 0.004 0.000 0.999 84 D CB 1.026 41.828 40.800 0.005 0.000 1.072 84 D HN 0.001 nan 8.370 nan 0.000 0.514 85 V N -0.084 119.831 119.914 0.001 0.000 3.043 85 V HA 0.139 4.258 4.120 -0.000 0.000 0.357 85 V C 1.465 177.557 176.094 -0.003 0.000 1.372 85 V CA -0.302 61.998 62.300 -0.001 0.000 1.214 85 V CB 0.301 32.123 31.823 -0.002 0.000 1.224 85 V HN 0.138 nan 8.190 nan 0.000 0.507 86 T N 2.007 116.560 114.554 -0.002 0.000 2.746 86 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 86 T C -0.240 174.456 174.700 -0.008 0.000 1.039 86 T CA 2.461 64.559 62.100 -0.005 0.000 1.142 86 T CB -0.837 68.029 68.868 -0.003 0.000 0.866 86 T HN 0.514 nan 8.240 nan 0.000 0.444 87 P HA -0.026 nan 4.420 nan 0.000 0.215 87 P C 1.327 178.621 177.300 -0.010 0.000 1.157 87 P CA 1.071 64.165 63.100 -0.009 0.000 0.863 87 P CB 0.002 31.700 31.700 -0.004 0.000 0.787 88 E N -0.290 119.906 120.200 -0.007 0.000 2.085 88 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 88 E C 2.127 178.722 176.600 -0.009 0.000 0.994 88 E CA 1.712 58.107 56.400 -0.007 0.000 0.801 88 E CB -1.113 28.584 29.700 -0.005 0.000 0.743 88 E HN 0.131 nan 8.360 nan 0.000 0.453 89 A N 0.063 122.877 122.820 -0.010 0.000 1.933 89 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 89 A C 2.320 179.895 177.584 -0.016 0.000 1.175 89 A CA 1.930 53.960 52.037 -0.011 0.000 0.628 89 A CB -0.824 18.170 19.000 -0.010 0.000 0.814 89 A HN 0.261 nan 8.150 nan 0.000 0.444 90 T N -0.049 114.493 114.554 -0.019 0.000 2.777 90 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 90 T C 1.796 176.480 174.700 -0.027 0.000 1.040 90 T CA 1.331 63.415 62.100 -0.028 0.000 1.141 90 T CB -0.218 68.629 68.868 -0.035 0.000 0.868 90 T HN 0.485 nan 8.240 nan 0.000 0.444 91 E N 1.550 121.738 120.200 -0.022 0.000 2.085 91 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 91 E C 2.538 179.128 176.600 -0.017 0.000 0.994 91 E CA 1.195 57.584 56.400 -0.018 0.000 0.801 91 E CB -0.441 29.251 29.700 -0.012 0.000 0.743 91 E HN 0.512 nan 8.360 nan 0.000 0.453 92 A N 1.086 123.898 122.820 -0.014 0.000 2.070 92 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 92 A C 2.295 179.870 177.584 -0.014 0.000 1.159 92 A CA 1.641 53.670 52.037 -0.012 0.000 0.656 92 A CB -0.279 18.714 19.000 -0.010 0.000 0.800 92 A HN 0.211 nan 8.150 nan 0.000 0.453 93 V N -5.272 114.632 119.914 -0.018 0.000 3.605 93 V HA 0.268 4.388 4.120 -0.000 0.000 0.284 93 V C 0.536 176.616 176.094 -0.023 0.000 1.386 93 V CA -0.455 61.834 62.300 -0.019 0.000 1.053 93 V CB -1.056 30.756 31.823 -0.019 0.000 0.857 93 V HN 0.343 nan 8.190 nan 0.000 0.436 94 C N 2.511 121.795 119.300 -0.026 0.000 2.370 94 C HA 0.513 4.973 4.460 -0.000 0.000 0.354 94 C C 1.754 176.730 174.990 -0.024 0.000 1.218 94 C CA 0.204 59.203 59.018 -0.031 0.000 2.154 94 C CB 1.373 29.087 27.740 -0.042 0.000 2.391 94 C HN 0.743 nan 8.230 nan 0.000 0.540 95 E N 0.847 121.033 120.200 -0.023 0.000 2.452 95 E HA 0.118 4.468 4.350 -0.000 0.000 0.197 95 E C 0.090 176.681 176.600 -0.015 0.000 1.022 95 E CA 0.322 56.712 56.400 -0.017 0.000 0.890 95 E CB 0.602 30.293 29.700 -0.015 0.000 0.918 95 E HN 0.626 nan 8.360 nan 0.000 0.496 96 K N 0.897 121.285 120.400 -0.020 0.000 2.588 96 K HA 0.258 4.578 4.320 -0.000 0.000 0.250 96 K C -1.152 175.434 176.600 -0.023 0.000 0.972 96 K CA -0.587 55.691 56.287 -0.016 0.000 0.821 96 K CB 1.546 34.038 32.500 -0.014 0.000 1.249 96 K HN -0.074 nan 8.250 nan 0.000 0.442 97 M N 3.680 123.272 119.600 -0.013 0.000 2.471 97 M HA 0.441 4.921 4.480 -0.000 0.000 0.309 97 M C -0.322 175.983 176.300 0.009 0.000 1.186 97 M CA -0.720 54.570 55.300 -0.016 0.000 1.008 97 M CB 0.713 33.308 32.600 -0.008 0.000 1.551 97 M HN 0.486 nan 8.290 nan 0.000 0.477 98 L N 3.587 124.822 121.223 0.021 0.000 2.384 98 L HA 0.286 4.626 4.340 -0.000 0.000 0.261 98 L C -1.452 175.509 176.870 0.152 0.000 1.024 98 L CA -1.337 53.569 54.840 0.110 0.000 0.899 98 L CB 1.223 43.391 42.059 0.181 0.000 1.243 98 L HN 0.449 nan 8.230 nan 0.000 0.449 99 P HA -0.159 nan 4.420 nan 0.000 0.218 99 P C 1.520 178.878 177.300 0.096 0.000 1.148 99 P CA 1.262 64.412 63.100 0.083 0.000 0.822 99 P CB 0.356 32.085 31.700 0.048 0.000 0.784 100 G N -0.854 108.005 108.800 0.099 0.000 2.450 100 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 100 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 100 G C 1.371 176.272 174.900 0.003 0.000 1.130 100 G CA 0.300 45.417 45.100 0.029 0.000 0.760 100 G HN 0.171 nan 8.290 nan 0.000 0.557 101 F N 1.313 121.257 119.950 -0.010 0.000 2.075 101 F HA 0.046 4.573 4.527 -0.000 0.000 0.297 101 F C 2.944 178.734 175.800 -0.017 0.000 1.113 101 F CA 1.369 59.360 58.000 -0.015 0.000 1.218 101 F CB -0.508 38.484 39.000 -0.014 0.000 0.984 101 F HN 0.184 nan 8.300 nan 0.000 0.472 102 G N -0.642 108.267 108.800 0.183 0.000 2.418 102 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.217 102 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.217 102 G C 1.466 176.393 174.900 0.045 0.000 1.158 102 G CA 0.900 46.054 45.100 0.091 0.000 0.771 102 G HN 0.343 nan 8.290 nan 0.000 0.545 103 E N -0.344 119.875 120.200 0.033 0.000 2.038 103 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 103 E C 2.371 178.962 176.600 -0.015 0.000 1.000 103 E CA 1.069 57.472 56.400 0.004 0.000 0.803 103 E CB -0.233 29.466 29.700 -0.003 0.000 0.750 103 E HN 0.333 nan 8.360 nan 0.000 0.448 104 L N 0.607 121.807 121.223 -0.038 0.000 2.056 104 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 104 L C 2.131 178.975 176.870 -0.043 0.000 1.078 104 L CA 1.676 56.478 54.840 -0.064 0.000 0.749 104 L CB -0.273 41.710 42.059 -0.126 0.000 0.901 104 L HN 0.170 nan 8.230 nan 0.000 0.433 105 M N -1.165 118.423 119.600 -0.020 0.000 2.117 105 M HA -0.212 4.268 4.480 -0.000 0.000 0.262 105 M C 2.413 178.709 176.300 -0.007 0.000 1.065 105 M CA 1.662 56.958 55.300 -0.007 0.000 1.114 105 M CB -0.409 32.206 32.600 0.025 0.000 1.361 105 M HN 0.199 nan 8.290 nan 0.000 0.408 106 R N -0.239 120.260 120.500 -0.002 0.000 2.092 106 R HA -0.167 4.173 4.340 -0.000 0.000 0.231 106 R C 2.246 178.541 176.300 -0.010 0.000 1.119 106 R CA 1.302 57.401 56.100 -0.003 0.000 0.970 106 R CB -0.283 30.018 30.300 0.001 0.000 0.864 106 R HN 0.286 nan 8.270 nan 0.000 0.440 107 Q N 0.862 120.653 119.800 -0.016 0.000 2.030 107 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 107 Q C 2.056 178.044 176.000 -0.021 0.000 0.986 107 Q CA 2.327 58.118 55.803 -0.020 0.000 0.843 107 Q CB -0.258 28.463 28.738 -0.029 0.000 0.904 107 Q HN 0.307 nan 8.270 nan 0.000 0.420 108 V N -2.140 117.758 119.914 -0.025 0.000 2.626 108 V HA -0.098 4.022 4.120 -0.000 0.000 0.252 108 V C 1.933 178.017 176.094 -0.017 0.000 1.067 108 V CA 1.965 64.251 62.300 -0.024 0.000 1.081 108 V CB -0.770 31.035 31.823 -0.030 0.000 0.686 108 V HN 0.256 nan 8.190 nan 0.000 0.468 109 S N 0.547 116.238 115.700 -0.014 0.000 2.428 109 S HA 0.155 4.625 4.470 -0.000 0.000 0.230 109 S C 1.804 176.399 174.600 -0.008 0.000 1.014 109 S CA 1.360 59.554 58.200 -0.010 0.000 0.957 109 S CB -0.396 62.800 63.200 -0.007 0.000 0.784 109 S HN 0.582 nan 8.310 nan 0.000 0.499 110 L N 1.218 122.436 121.223 -0.008 0.000 2.191 110 L HA -0.115 4.224 4.340 -0.000 0.000 0.212 110 L C 2.217 179.083 176.870 -0.007 0.000 1.103 110 L CA 1.117 55.952 54.840 -0.007 0.000 0.769 110 L CB -0.337 41.718 42.059 -0.008 0.000 0.908 110 L HN 0.271 nan 8.230 nan 0.000 0.438 111 K N -0.752 119.643 120.400 -0.008 0.000 2.209 111 K HA -0.216 4.104 4.320 -0.000 0.000 0.204 111 K C 2.050 178.647 176.600 -0.005 0.000 1.048 111 K CA 1.143 57.425 56.287 -0.007 0.000 0.940 111 K CB -0.024 32.470 32.500 -0.009 0.000 0.729 111 K HN 0.382 nan 8.250 nan 0.000 0.451 112 Q N -0.017 119.781 119.800 -0.004 0.000 2.063 112 Q HA 0.063 4.403 4.340 -0.000 0.000 0.194 112 Q C -0.036 175.964 176.000 -0.001 0.000 0.974 112 Q CA 0.644 56.446 55.803 -0.002 0.000 0.827 112 Q CB 0.714 29.451 28.738 -0.002 0.000 0.902 112 Q HN 0.064 nan 8.270 nan 0.000 0.462 113 V N 0.463 120.376 119.914 -0.001 0.000 2.709 113 V HA 0.259 4.379 4.120 -0.000 0.000 0.308 113 V C -2.303 173.790 176.094 -0.001 0.000 1.062 113 V CA -1.916 60.384 62.300 -0.000 0.000 0.901 113 V CB 1.913 33.737 31.823 0.001 0.000 1.003 113 V HN 0.114 nan 8.190 nan 0.000 0.425 114 P HA -0.075 nan 4.420 nan 0.000 0.220 114 P C 1.341 178.641 177.300 -0.000 0.000 1.148 114 P CA 1.802 64.901 63.100 -0.001 0.000 0.803 114 P CB 0.003 31.703 31.700 -0.001 0.000 0.782 115 T N -3.827 110.727 114.554 0.001 0.000 3.227 115 T HA 0.165 4.515 4.350 -0.000 0.000 0.257 115 T C 1.656 176.356 174.700 0.001 0.000 1.162 115 T CA 0.567 62.667 62.100 0.001 0.000 1.051 115 T CB -0.833 68.037 68.868 0.002 0.000 0.953 115 T HN -0.016 nan 8.240 nan 0.000 0.535 116 A N 2.584 125.405 122.820 0.000 0.000 1.978 116 A HA 0.040 4.360 4.320 -0.000 0.000 0.220 116 A C 2.262 179.846 177.584 0.001 0.000 1.170 116 A CA 1.436 53.473 52.037 -0.000 0.000 0.636 116 A CB -0.890 18.109 19.000 -0.002 0.000 0.810 116 A HN 0.899 nan 8.150 nan 0.000 0.448 117 I N -3.163 117.407 120.570 0.001 0.000 3.001 117 I HA -0.038 4.131 4.170 -0.000 0.000 0.268 117 I C 1.392 177.510 176.117 0.002 0.000 1.267 117 I CA 0.862 62.163 61.300 0.001 0.000 1.472 117 I CB -0.270 37.731 38.000 0.000 0.000 1.089 117 I HN 0.171 nan 8.210 nan 0.000 0.468 118 L N 0.605 121.829 121.223 0.003 0.000 2.558 118 L HA 0.138 4.478 4.340 -0.000 0.000 0.225 118 L C 1.386 178.258 176.870 0.004 0.000 1.128 118 L CA -0.021 54.821 54.840 0.003 0.000 0.868 118 L CB -0.328 41.733 42.059 0.003 0.000 1.006 118 L HN 0.233 nan 8.230 nan 0.000 0.454 119 S N 0.627 116.330 115.700 0.005 0.000 2.548 119 S HA 0.199 4.669 4.470 -0.000 0.000 0.277 119 S C 0.952 175.556 174.600 0.007 0.000 1.315 119 S CA -0.384 57.820 58.200 0.006 0.000 1.050 119 S CB 0.557 63.761 63.200 0.006 0.000 0.918 119 S HN 0.288 nan 8.310 nan 0.000 0.497 120 R N 2.621 123.125 120.500 0.007 0.000 2.586 120 R HA 0.169 4.509 4.340 -0.000 0.000 0.336 120 R C 0.032 176.337 176.300 0.009 0.000 1.060 120 R CA -0.199 55.906 56.100 0.008 0.000 1.079 120 R CB 0.310 30.613 30.300 0.005 0.000 1.317 120 R HN 0.677 nan 8.270 nan 0.000 0.568 121 Q N 0.847 120.654 119.800 0.012 0.000 2.315 121 Q HA 0.010 4.349 4.340 -0.000 0.000 0.289 121 Q C 0.196 176.210 176.000 0.022 0.000 1.044 121 Q CA 0.957 56.769 55.803 0.014 0.000 0.920 121 Q CB 1.032 29.782 28.738 0.020 0.000 1.214 121 Q HN -0.023 nan 8.270 nan 0.000 0.392 122 T N -0.339 114.221 114.554 0.011 0.000 2.647 122 T HA 0.821 5.171 4.350 -0.000 0.000 0.295 122 T C -1.984 172.692 174.700 -0.039 0.000 1.126 122 T CA -0.102 62.005 62.100 0.012 0.000 1.040 122 T CB 1.633 70.501 68.868 0.000 0.000 1.472 122 T HN 0.676 nan 8.240 nan 0.000 0.500 123 A N -0.403 122.365 122.820 -0.087 0.000 2.594 123 A HA 0.917 5.237 4.320 -0.000 0.000 0.295 123 A C -0.279 177.181 177.584 -0.206 0.000 1.071 123 A CA -0.023 51.862 52.037 -0.253 0.000 0.685 123 A CB 1.444 20.056 19.000 -0.647 0.000 1.285 123 A HN 1.427 nan 8.150 nan 0.000 0.405 124 G N -0.514 108.156 108.800 -0.216 0.000 2.600 124 G HA2 0.614 4.574 3.960 -0.000 0.000 0.293 124 G HA3 0.614 4.574 3.960 -0.000 0.000 0.293 124 G C -1.684 173.136 174.900 -0.134 0.000 1.408 124 G CA -0.542 44.475 45.100 -0.139 0.000 0.782 124 G HN 0.782 nan 8.290 nan 0.000 0.482 125 I N 0.092 120.610 120.570 -0.086 0.000 2.474 125 I HA 0.607 4.777 4.170 -0.000 0.000 0.294 125 I C -0.004 176.083 176.117 -0.049 0.000 1.005 125 I CA -0.788 60.470 61.300 -0.070 0.000 1.113 125 I CB 2.378 40.345 38.000 -0.055 0.000 1.289 125 I HN 0.366 nan 8.210 nan 0.000 0.436 126 R N 4.368 124.841 120.500 -0.044 0.000 2.468 126 R HA 0.530 4.870 4.340 -0.000 0.000 0.302 126 R C 0.333 176.618 176.300 -0.025 0.000 1.041 126 R CA 0.292 56.373 56.100 -0.031 0.000 0.899 126 R CB 1.182 31.465 30.300 -0.029 0.000 1.167 126 R HN 0.929 nan 8.270 nan 0.000 0.483 127 G N 2.328 111.116 108.800 -0.020 0.000 2.596 127 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.304 127 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.304 127 G C 0.254 175.143 174.900 -0.019 0.000 1.189 127 G CA 0.577 45.667 45.100 -0.016 0.000 0.986 127 G HN 0.819 nan 8.290 nan 0.000 0.548 128 S N -1.020 114.671 115.700 -0.015 0.000 2.573 128 S HA 0.497 4.967 4.470 -0.000 0.000 0.244 128 S C 0.305 174.895 174.600 -0.018 0.000 0.984 128 S CA 0.608 58.799 58.200 -0.015 0.000 1.001 128 S CB -0.007 63.190 63.200 -0.005 0.000 0.788 128 S HN 1.461 nan 8.310 nan 0.000 0.456 129 C N 1.869 121.153 119.300 -0.025 0.000 2.408 129 C HA 0.793 5.253 4.460 -0.000 0.000 0.321 129 C C -0.530 174.428 174.990 -0.054 0.000 1.245 129 C CA -1.008 57.991 59.018 -0.031 0.000 1.523 129 C CB 0.567 28.293 27.740 -0.023 0.000 2.178 129 C HN 0.706 nan 8.230 nan 0.000 0.488 130 L N 7.357 128.539 121.223 -0.068 0.000 2.295 130 L HA 0.743 5.083 4.340 -0.000 0.000 0.285 130 L C -0.743 176.050 176.870 -0.129 0.000 1.035 130 L CA 0.026 54.795 54.840 -0.118 0.000 0.806 130 L CB 0.959 42.941 42.059 -0.127 0.000 1.214 130 L HN 0.649 nan 8.230 nan 0.000 0.426 131 I N 5.754 126.225 120.570 -0.165 0.000 2.406 131 I HA 0.492 4.662 4.170 -0.000 0.000 0.290 131 I C -0.970 175.021 176.117 -0.210 0.000 0.999 131 I CA -0.831 60.385 61.300 -0.141 0.000 1.124 131 I CB 1.916 39.857 38.000 -0.097 0.000 1.289 131 I HN 0.287 nan 8.210 nan 0.000 0.441 132 V N 5.408 125.220 119.914 -0.169 0.000 2.588 132 V HA 0.371 4.491 4.120 -0.000 0.000 0.304 132 V C -0.389 175.661 176.094 -0.073 0.000 1.042 132 V CA -0.900 61.297 62.300 -0.171 0.000 0.877 132 V CB 1.981 33.718 31.823 -0.143 0.000 0.996 132 V HN 0.617 nan 8.190 nan 0.000 0.425 133 N N 5.109 123.780 118.700 -0.048 0.000 2.414 133 N HA 0.548 5.288 4.740 -0.000 0.000 0.256 133 N C -0.631 174.877 175.510 -0.003 0.000 1.029 133 N CA -0.182 52.856 53.050 -0.020 0.000 0.948 133 N CB 1.688 40.167 38.487 -0.014 0.000 1.102 133 N HN 0.537 nan 8.380 nan 0.000 0.496 134 L N 2.699 123.917 121.223 -0.008 0.000 2.365 134 L HA 0.592 4.932 4.340 -0.000 0.000 0.267 134 L C -1.907 174.959 176.870 -0.008 0.000 1.033 134 L CA -1.933 52.900 54.840 -0.012 0.000 0.802 134 L CB 1.088 43.128 42.059 -0.032 0.000 1.267 134 L HN 0.199 nan 8.230 nan 0.000 0.457 135 P HA 0.143 nan 4.420 nan 0.000 0.297 135 P C 0.079 177.378 177.300 -0.002 0.000 1.303 135 P CA -0.260 62.836 63.100 -0.005 0.000 0.753 135 P CB 0.577 32.271 31.700 -0.010 0.000 1.281 136 G N -0.825 107.978 108.800 0.005 0.000 2.570 136 G HA2 0.001 3.961 3.960 -0.000 0.000 0.209 136 G HA3 0.001 3.961 3.960 -0.000 0.000 0.209 136 G C 0.170 175.077 174.900 0.013 0.000 1.168 136 G CA 0.160 45.267 45.100 0.013 0.000 0.831 136 G HN 0.299 nan 8.290 nan 0.000 0.564 137 K N 1.968 122.375 120.400 0.012 0.000 2.436 137 K HA 0.116 4.436 4.320 -0.000 0.000 0.282 137 K C -1.176 175.427 176.600 0.004 0.000 1.044 137 K CA -1.136 55.159 56.287 0.014 0.000 1.028 137 K CB 1.589 34.098 32.500 0.015 0.000 0.919 137 K HN 0.042 nan 8.250 nan 0.000 0.474 138 P HA -0.266 nan 4.420 nan 0.000 0.218 138 P C 0.835 178.136 177.300 0.002 0.000 1.150 138 P CA 1.498 64.599 63.100 0.002 0.000 0.841 138 P CB 0.409 32.113 31.700 0.006 0.000 0.784 139 Q N 0.064 119.868 119.800 0.006 0.000 2.398 139 Q HA 0.047 4.387 4.340 -0.000 0.000 0.204 139 Q C 1.987 177.985 176.000 -0.003 0.000 0.932 139 Q CA 1.195 57.003 55.803 0.008 0.000 0.916 139 Q CB -0.731 28.014 28.738 0.012 0.000 1.024 139 Q HN 0.096 nan 8.270 nan 0.000 0.504 140 S N -0.373 115.322 115.700 -0.008 0.000 2.446 140 S HA 0.127 4.597 4.470 -0.000 0.000 0.225 140 S C 1.648 176.226 174.600 -0.036 0.000 1.016 140 S CA 0.472 58.662 58.200 -0.016 0.000 0.943 140 S CB -0.021 63.173 63.200 -0.009 0.000 0.786 140 S HN 0.397 nan 8.310 nan 0.000 0.508 141 I N 1.701 122.243 120.570 -0.046 0.000 2.353 141 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 141 I C 2.510 178.536 176.117 -0.152 0.000 1.119 141 I CA 1.052 62.300 61.300 -0.087 0.000 1.417 141 I CB -0.198 37.757 38.000 -0.075 0.000 1.078 141 I HN 0.227 nan 8.210 nan 0.000 0.421 142 K N 1.130 121.469 120.400 -0.102 0.000 2.057 142 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 142 K C 2.105 178.656 176.600 -0.082 0.000 1.049 142 K CA 1.335 57.565 56.287 -0.096 0.000 0.931 142 K CB 0.060 32.581 32.500 0.035 0.000 0.714 142 K HN 0.094 nan 8.250 nan 0.000 0.440 143 V N 0.962 120.847 119.914 -0.049 0.000 2.295 143 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 143 V C 2.549 178.610 176.094 -0.056 0.000 1.049 143 V CA 1.794 64.074 62.300 -0.034 0.000 1.024 143 V CB -0.475 31.335 31.823 -0.022 0.000 0.648 143 V HN 0.518 nan 8.190 nan 0.000 0.447 144 C N -0.543 118.712 119.300 -0.074 0.000 2.446 144 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 144 C C 2.660 177.589 174.990 -0.102 0.000 1.275 144 C CA 0.785 59.761 59.018 -0.070 0.000 1.727 144 C CB -1.032 26.676 27.740 -0.053 0.000 2.010 144 C HN 0.523 nan 8.230 nan 0.000 0.486 145 L N 0.555 121.656 121.223 -0.203 0.000 2.046 145 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 145 L C 2.286 179.075 176.870 -0.136 0.000 1.077 145 L CA 1.506 56.160 54.840 -0.311 0.000 0.747 145 L CB -0.748 40.773 42.059 -0.896 0.000 0.896 145 L HN 0.377 nan 8.230 nan 0.000 0.432 146 D N -0.024 120.340 120.400 -0.060 0.000 2.218 146 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 146 D C 2.098 178.404 176.300 0.010 0.000 0.976 146 D CA 1.449 55.487 54.000 0.063 0.000 0.853 146 D CB 0.163 41.005 40.800 0.070 0.000 0.939 146 D HN 0.370 nan 8.370 nan 0.000 0.481 147 A N 0.503 123.303 122.820 -0.034 0.000 1.935 147 A HA -0.035 4.284 4.320 -0.000 0.000 0.214 147 A C 2.353 179.882 177.584 -0.093 0.000 1.178 147 A CA 1.278 53.279 52.037 -0.061 0.000 0.640 147 A CB -0.225 18.734 19.000 -0.069 0.000 0.825 147 A HN 0.218 nan 8.150 nan 0.000 0.447 148 V N -3.945 115.919 119.914 -0.083 0.000 3.125 148 V HA 0.037 4.157 4.120 -0.000 0.000 0.249 148 V C 2.177 178.264 176.094 -0.012 0.000 1.113 148 V CA 1.437 63.666 62.300 -0.118 0.000 1.106 148 V CB -0.623 31.170 31.823 -0.051 0.000 0.768 148 V HN 0.288 nan 8.190 nan 0.000 0.468 149 M N 2.063 121.683 119.600 0.034 0.000 2.144 149 M HA 0.006 4.486 4.480 -0.000 0.000 0.260 149 M C -0.358 175.986 176.300 0.073 0.000 1.067 149 M CA 1.953 57.304 55.300 0.084 0.000 1.095 149 M CB -1.681 31.012 32.600 0.155 0.000 1.365 149 M HN 0.265 nan 8.290 nan 0.000 0.406 150 P HA -0.081 nan 4.420 nan 0.000 0.218 150 P C 0.517 177.873 177.300 0.094 0.000 1.146 150 P CA 1.939 65.074 63.100 0.059 0.000 0.813 150 P CB -0.157 31.552 31.700 0.015 0.000 0.778 151 A N -2.275 120.584 122.820 0.065 0.000 2.390 151 A HA 0.173 4.493 4.320 -0.000 0.000 0.232 151 A C 1.850 179.553 177.584 0.199 0.000 1.233 151 A CA -0.070 52.043 52.037 0.126 0.000 0.907 151 A CB -0.835 18.169 19.000 0.007 0.000 0.967 151 A HN 0.056 nan 8.150 nan 0.000 0.512 152 I N 0.384 121.059 120.570 0.174 0.000 2.193 152 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 152 I C -0.659 175.523 176.117 0.108 0.000 1.084 152 I CA 1.130 62.537 61.300 0.179 0.000 1.365 152 I CB -0.912 37.175 38.000 0.144 0.000 1.064 152 I HN 0.147 nan 8.210 nan 0.000 0.410 153 P HA -0.231 nan 4.420 nan 0.000 0.216 153 P C 1.527 178.872 177.300 0.076 0.000 1.153 153 P CA 1.519 64.624 63.100 0.007 0.000 0.858 153 P CB -0.136 31.531 31.700 -0.056 0.000 0.789 154 Y N -0.401 119.909 120.300 0.017 0.000 2.200 154 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 154 Y C 2.477 178.413 175.900 0.059 0.000 1.137 154 Y CA 0.823 58.948 58.100 0.042 0.000 1.163 154 Y CB -1.210 37.297 38.460 0.079 0.000 0.988 154 Y HN 0.002 nan 8.280 nan 0.000 0.518 155 C N 0.341 119.660 119.300 0.032 0.000 2.413 155 C HA -0.196 4.264 4.460 -0.000 0.000 0.276 155 C C 2.721 177.660 174.990 -0.086 0.000 1.236 155 C CA 1.507 60.496 59.018 -0.048 0.000 1.735 155 C CB -1.524 26.282 27.740 0.110 0.000 2.031 155 C HN 0.631 nan 8.230 nan 0.000 0.474 156 I N 0.924 121.474 120.570 -0.034 0.000 2.264 156 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 156 I C 2.138 178.226 176.117 -0.047 0.000 1.111 156 I CA 1.844 63.123 61.300 -0.035 0.000 1.382 156 I CB -0.646 37.342 38.000 -0.019 0.000 1.060 156 I HN 0.363 nan 8.210 nan 0.000 0.418 157 D N 1.017 121.381 120.400 -0.061 0.000 2.097 157 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 157 D C 2.293 178.529 176.300 -0.107 0.000 0.989 157 D CA 1.261 55.236 54.000 -0.043 0.000 0.827 157 D CB -0.315 40.484 40.800 -0.001 0.000 0.966 157 D HN 0.295 nan 8.370 nan 0.000 0.456 158 L N 0.722 121.805 121.223 -0.233 0.000 2.275 158 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 158 L C 1.991 178.797 176.870 -0.106 0.000 1.119 158 L CA 0.606 55.320 54.840 -0.210 0.000 0.790 158 L CB -0.387 41.483 42.059 -0.314 0.000 0.919 158 L HN 0.153 nan 8.230 nan 0.000 0.443 159 I N -3.806 116.715 120.570 -0.081 0.000 3.904 159 I HA 0.410 4.580 4.170 -0.000 0.000 0.333 159 I C 1.094 177.194 176.117 -0.029 0.000 1.361 159 I CA 0.257 61.528 61.300 -0.048 0.000 1.116 159 I CB -0.106 37.867 38.000 -0.044 0.000 1.028 159 I HN 0.143 nan 8.210 nan 0.000 0.398 160 G N 1.434 110.220 108.800 -0.024 0.000 2.176 160 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.252 160 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.252 160 G C 0.440 175.344 174.900 0.007 0.000 1.024 160 G CA -0.030 45.068 45.100 -0.004 0.000 0.755 160 G HN 0.835 nan 8.290 nan 0.000 0.507 161 G N -0.694 108.109 108.800 0.006 0.000 2.543 161 G HA2 0.814 4.774 3.960 -0.000 0.000 0.290 161 G HA3 0.814 4.774 3.960 -0.000 0.000 0.290 161 G C 0.630 175.556 174.900 0.043 0.000 1.310 161 G CA 0.203 45.313 45.100 0.016 0.000 1.025 161 G HN 1.540 nan 8.290 nan 0.000 0.502 162 A N -1.193 121.658 122.820 0.052 0.000 2.386 162 A HA 0.433 4.753 4.320 -0.000 0.000 0.248 162 A C -0.451 177.201 177.584 0.114 0.000 1.082 162 A CA -0.350 51.740 52.037 0.089 0.000 0.789 162 A CB 0.037 19.088 19.000 0.086 0.000 1.025 162 A HN 0.731 nan 8.150 nan 0.000 0.490 163 Y N 1.638 121.958 120.300 0.033 0.000 2.465 163 Y HA 0.487 5.036 4.550 -0.000 0.000 0.331 163 Y C -0.244 175.680 175.900 0.040 0.000 1.102 163 Y CA 0.365 58.487 58.100 0.036 0.000 1.358 163 Y CB 0.160 38.640 38.460 0.035 0.000 1.213 163 Y HN 0.468 nan 8.280 nan 0.000 0.525 164 I N 5.855 126.112 120.570 -0.521 0.000 2.647 164 I HA 0.323 4.493 4.170 -0.000 0.000 0.295 164 I C -1.239 174.525 176.117 -0.588 0.000 1.078 164 I CA -0.898 60.170 61.300 -0.387 0.000 1.048 164 I CB 2.202 40.075 38.000 -0.213 0.000 1.239 164 I HN 0.546 nan 8.210 nan 0.000 0.421 165 D N 2.479 122.679 120.400 -0.332 0.000 2.661 165 D HA 0.564 5.204 4.640 -0.000 0.000 0.228 165 D C -1.030 175.213 176.300 -0.094 0.000 1.210 165 D CA -0.042 53.826 54.000 -0.220 0.000 0.826 165 D CB 2.352 43.080 40.800 -0.119 0.000 1.542 165 D HN 0.618 nan 8.370 nan 0.000 0.447 166 T N -0.717 113.799 114.554 -0.064 0.000 2.942 166 T HA 0.415 4.765 4.350 -0.000 0.000 0.289 166 T C -0.255 174.430 174.700 -0.026 0.000 1.044 166 T CA -0.956 61.114 62.100 -0.049 0.000 1.023 166 T CB 1.389 70.226 68.868 -0.052 0.000 1.123 166 T HN 0.197 nan 8.240 nan 0.000 0.512 167 D N 2.697 123.077 120.400 -0.033 0.000 2.349 167 D HA 0.110 4.750 4.640 -0.000 0.000 0.266 167 D C -0.945 175.344 176.300 -0.019 0.000 1.293 167 D CA -1.917 52.069 54.000 -0.023 0.000 0.926 167 D CB 1.104 41.882 40.800 -0.036 0.000 1.090 167 D HN 0.262 nan 8.370 nan 0.000 0.502 168 P HA -0.148 nan 4.420 nan 0.000 0.224 168 P C 0.560 177.860 177.300 -0.001 0.000 1.142 168 P CA 0.716 63.817 63.100 0.001 0.000 0.778 168 P CB 0.458 32.161 31.700 0.005 0.000 0.764 169 N N -0.521 118.174 118.700 -0.008 0.000 2.353 169 N HA 0.038 4.778 4.740 -0.000 0.000 0.185 169 N C 1.382 176.882 175.510 -0.017 0.000 1.098 169 N CA 0.502 53.547 53.050 -0.009 0.000 0.872 169 N CB 0.354 38.836 38.487 -0.010 0.000 0.970 169 N HN 0.345 nan 8.380 nan 0.000 0.467 170 K N -0.434 119.949 120.400 -0.029 0.000 2.380 170 K HA 0.218 4.537 4.320 -0.000 0.000 0.200 170 K C -0.092 176.490 176.600 -0.030 0.000 1.201 170 K CA 0.242 56.501 56.287 -0.047 0.000 0.916 170 K CB 1.540 33.983 32.500 -0.096 0.000 1.187 170 K HN -0.142 nan 8.250 nan 0.000 0.498 171 V N 2.492 122.393 119.914 -0.022 0.000 2.789 171 V HA 0.223 4.343 4.120 -0.000 0.000 0.300 171 V C -2.145 173.958 176.094 0.016 0.000 1.184 171 V CA -0.872 61.436 62.300 0.013 0.000 0.930 171 V CB 1.763 33.608 31.823 0.037 0.000 1.041 171 V HN 0.102 nan 8.190 nan 0.000 0.430 172 K N 5.926 126.347 120.400 0.034 0.000 2.267 172 K HA 0.694 5.014 4.320 -0.000 0.000 0.282 172 K C 0.113 176.755 176.600 0.069 0.000 1.078 172 K CA 0.016 56.330 56.287 0.046 0.000 0.903 172 K CB 1.697 34.234 32.500 0.062 0.000 1.111 172 K HN 0.856 nan 8.250 nan 0.000 0.475 173 A N 4.637 127.484 122.820 0.045 0.000 2.457 173 A HA 0.100 4.419 4.320 -0.000 0.000 0.298 173 A C -0.510 177.117 177.584 0.073 0.000 1.288 173 A CA -0.381 51.688 52.037 0.054 0.000 0.956 173 A CB -0.576 18.421 19.000 -0.003 0.000 1.135 173 A HN 0.745 nan 8.150 nan 0.000 0.535 174 F N 3.269 123.194 119.950 -0.041 0.000 2.504 174 F HA 0.361 4.888 4.527 -0.000 0.000 0.369 174 F C 0.823 176.524 175.800 -0.166 0.000 1.082 174 F CA 0.528 58.476 58.000 -0.088 0.000 1.216 174 F CB 0.454 39.401 39.000 -0.089 0.000 1.108 174 F HN 0.528 nan 8.300 nan 0.000 0.554 175 R N 7.319 127.385 120.500 -0.724 0.000 2.521 175 R HA 0.301 4.641 4.340 -0.000 0.000 0.295 175 R C -2.193 173.572 176.300 -0.890 0.000 1.183 175 R CA -1.629 54.044 56.100 -0.711 0.000 0.957 175 R CB 1.074 31.209 30.300 -0.276 0.000 1.171 175 R HN 0.538 nan 8.270 nan 0.000 0.494 176 P HA 0.000 nan 4.420 nan 0.000 0.216 176 P CA 0.000 62.764 63.100 -0.560 0.000 0.800 176 P CB 0.000 31.543 31.700 -0.262 0.000 0.726