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 1pmo_1_E DATA FIRST_RESID 4 DATA SEQUENCE KQVTDLRSEL LDSRFGAKSI STIAESKRFP LHEMRDDVAF QIINDELYLD DATA SEQUENCE GNARQNLATF CQTWDDENVH KLMDLSINKN WIDKEEYPQS AAIDLRCVNM DATA SEQUENCE VADLWHAPAP KNGQAVGTNT IGSSEACMLG GMAMKWRWRK RMEAAGKPTD DATA SEQUENCE KPNLVCGPVQ ICWHKFARYW DVELREIPMR PGQLFMDPKR MIEACDENTI DATA SEQUENCE GVVPTFGVTY TGNYEFPQPL HDALDKFQAD TGIDIDMHID AASGGFLAPF DATA SEQUENCE VAPDIVWDFR LPRVKSISAS GHKFGLAPLG CGWVIWRDEE ALPQELVFNV DATA SEQUENCE DYLGGQIGTF AINFSRPAGQ VIAQYYEFLR LGREGYTKVQ NASYQVAAYL DATA SEQUENCE ADEIAKLGPY EFICTGRPDE GIPAVCFKLK DGEDPGYTLY DLSERLRLRG DATA SEQUENCE WQVPAFTLGG EATDIVVMRI MCRRGFEMDF AELLLEDYKA SLKYLSDHPK DATA SEQUENCE LQGIAQQNSF KHT 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 0.000 176.601 176.600 0.001 0.000 0.988 4 K CA 0.000 56.287 56.287 0.001 0.000 0.838 4 K CB 0.000 32.500 32.500 0.001 0.000 1.064 5 Q N 3.066 122.867 119.800 0.001 0.000 2.472 5 Q HA 0.139 4.479 4.340 -0.000 0.000 0.227 5 Q C -0.153 175.849 176.000 0.002 0.000 1.156 5 Q CA -0.311 55.493 55.803 0.002 0.000 0.924 5 Q CB 0.179 28.918 28.738 0.002 0.000 1.354 5 Q HN 0.185 nan 8.270 nan 0.000 0.525 6 V N 1.848 121.763 119.914 0.002 0.000 2.843 6 V HA -0.065 4.054 4.120 -0.000 0.000 0.305 6 V C 1.284 177.380 176.094 0.003 0.000 1.120 6 V CA 0.960 63.261 62.300 0.002 0.000 1.254 6 V CB 0.393 32.218 31.823 0.002 0.000 0.901 6 V HN 0.854 nan 8.190 nan 0.000 0.503 7 T N 2.313 116.869 114.554 0.002 0.000 2.849 7 T HA -0.180 4.170 4.350 -0.000 0.000 0.270 7 T C 1.193 175.895 174.700 0.004 0.000 1.066 7 T CA 2.127 64.229 62.100 0.003 0.000 1.130 7 T CB -0.627 68.242 68.868 0.002 0.000 0.864 7 T HN 1.100 nan 8.240 nan 0.000 0.481 8 D N -0.170 120.232 120.400 0.004 0.000 2.323 8 D HA 0.039 4.679 4.640 -0.000 0.000 0.209 8 D C 0.759 177.063 176.300 0.006 0.000 0.973 8 D CA 0.288 54.291 54.000 0.004 0.000 0.874 8 D CB -0.165 40.637 40.800 0.003 0.000 0.930 8 D HN 0.316 nan 8.370 nan 0.000 0.521 9 L N 1.242 122.469 121.223 0.006 0.000 3.048 9 L HA 0.414 4.754 4.340 -0.000 0.000 0.234 9 L C -0.543 176.333 176.870 0.009 0.000 1.318 9 L CA -0.302 54.543 54.840 0.008 0.000 1.109 9 L CB -0.432 41.631 42.059 0.007 0.000 1.480 9 L HN 0.088 nan 8.230 nan 0.000 0.495 10 R N -2.450 118.056 120.500 0.010 0.000 2.579 10 R HA 0.417 4.757 4.340 -0.000 0.000 0.260 10 R C -0.588 175.720 176.300 0.013 0.000 1.103 10 R CA -0.530 55.576 56.100 0.011 0.000 0.942 10 R CB 0.578 30.882 30.300 0.008 0.000 1.251 10 R HN -0.122 nan 8.270 nan 0.000 0.450 11 S N 1.947 117.656 115.700 0.016 0.000 2.699 11 S HA 0.001 4.471 4.470 -0.000 0.000 0.251 11 S C 0.083 174.692 174.600 0.015 0.000 1.179 11 S CA -0.352 57.859 58.200 0.019 0.000 1.200 11 S CB -0.445 62.772 63.200 0.027 0.000 0.848 11 S HN 0.614 nan 8.310 nan 0.000 0.472 12 E N 1.665 121.872 120.200 0.012 0.000 3.662 12 E HA 0.159 4.509 4.350 -0.000 0.000 0.448 12 E C 0.131 176.739 176.600 0.014 0.000 1.515 12 E CA -0.421 55.985 56.400 0.011 0.000 2.557 12 E CB -0.347 29.358 29.700 0.008 0.000 0.971 12 E HN 0.241 nan 8.360 nan 0.000 0.570 13 L N -2.144 119.087 121.223 0.013 0.000 1.935 13 L HA -0.192 4.148 4.340 -0.000 0.000 0.474 13 L C -0.890 175.994 176.870 0.023 0.000 1.002 13 L CA -0.382 54.467 54.840 0.015 0.000 1.232 13 L CB -0.874 41.195 42.059 0.017 0.000 1.316 13 L HN 0.430 nan 8.230 nan 0.000 0.686 14 L N 3.837 125.072 121.223 0.019 0.000 2.379 14 L HA 0.577 4.917 4.340 -0.000 0.000 0.269 14 L C 0.230 177.117 176.870 0.030 0.000 1.084 14 L CA 0.402 55.258 54.840 0.026 0.000 0.802 14 L CB 1.396 43.464 42.059 0.014 0.000 1.175 14 L HN 0.505 nan 8.230 nan 0.000 0.448 15 D N 0.311 120.742 120.400 0.052 0.000 2.391 15 D HA 0.151 4.791 4.640 -0.000 0.000 0.245 15 D C 0.517 176.795 176.300 -0.037 0.000 1.069 15 D CA -0.040 53.981 54.000 0.034 0.000 0.831 15 D CB 1.859 42.760 40.800 0.168 0.000 1.204 15 D HN 0.636 nan 8.370 nan 0.000 0.503 16 S N 3.483 119.126 115.700 -0.094 0.000 2.515 16 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 16 S C 1.482 175.959 174.600 -0.204 0.000 0.987 16 S CA 0.353 58.483 58.200 -0.117 0.000 0.936 16 S CB 0.181 63.320 63.200 -0.101 0.000 0.766 16 S HN 0.466 nan 8.310 nan 0.000 0.528 17 R N -0.182 120.084 120.500 -0.390 0.000 2.075 17 R HA 0.246 4.586 4.340 -0.000 0.000 0.220 17 R C 1.040 176.990 176.300 -0.582 0.000 1.118 17 R CA 1.222 56.948 56.100 -0.623 0.000 0.986 17 R CB -0.276 29.363 30.300 -1.101 0.000 0.884 17 R HN 0.496 nan 8.270 nan 0.000 0.439 18 F N -0.072 119.872 119.950 -0.009 0.000 2.765 18 F HA 0.326 4.853 4.527 0.000 0.000 0.302 18 F C 1.407 177.204 175.800 -0.005 0.000 1.111 18 F CA 0.203 58.201 58.000 -0.004 0.000 1.359 18 F CB -0.181 38.817 39.000 -0.002 0.000 1.097 18 F HN 0.156 nan 8.300 nan 0.000 0.577 19 G N 0.682 109.522 108.800 0.067 0.000 2.321 19 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.287 19 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.287 19 G C 0.298 175.245 174.900 0.079 0.000 1.018 19 G CA 0.364 45.493 45.100 0.049 0.000 0.855 19 G HN 0.781 nan 8.290 nan 0.000 0.507 20 A N -0.909 121.984 122.820 0.122 0.000 2.973 20 A HA 0.993 5.313 4.320 -0.000 0.000 0.267 20 A C 0.111 177.753 177.584 0.097 0.000 1.210 20 A CA 0.296 52.397 52.037 0.106 0.000 0.749 20 A CB 1.116 20.191 19.000 0.125 0.000 1.373 20 A HN 1.046 nan 8.150 nan 0.000 0.585 21 K N -0.609 119.837 120.400 0.077 0.000 2.409 21 K HA 0.734 5.054 4.320 -0.000 0.000 0.252 21 K C 0.319 176.953 176.600 0.057 0.000 1.036 21 K CA 0.370 56.693 56.287 0.060 0.000 0.871 21 K CB 1.374 33.893 32.500 0.032 0.000 1.374 21 K HN 1.517 nan 8.250 nan 0.000 0.459 22 S N -0.415 115.313 115.700 0.046 0.000 2.991 22 S HA -0.273 4.197 4.470 -0.000 0.000 0.630 22 S C -0.033 174.593 174.600 0.044 0.000 3.057 22 S CA 1.310 59.532 58.200 0.037 0.000 3.520 22 S CB -1.076 62.136 63.200 0.021 0.000 0.309 22 S HN 1.128 nan 8.310 nan 0.000 1.629 23 I N -0.536 120.048 120.570 0.023 0.000 7.021 23 I HA -0.117 4.053 4.170 -0.000 0.000 0.126 23 I C -0.213 175.919 176.117 0.025 0.000 1.833 23 I CA 0.843 62.150 61.300 0.012 0.000 2.038 23 I CB -1.891 36.103 38.000 -0.011 0.000 3.582 23 I HN 0.651 nan 8.210 nan 0.000 0.169 24 S N 3.420 119.128 115.700 0.013 0.000 2.516 24 S HA 0.413 4.883 4.470 -0.000 0.000 0.268 24 S C 1.411 176.009 174.600 -0.004 0.000 1.251 24 S CA 0.009 58.215 58.200 0.010 0.000 1.153 24 S CB 0.949 64.154 63.200 0.009 0.000 1.009 24 S HN 0.680 nan 8.310 nan 0.000 0.479 25 T N 2.904 117.453 114.554 -0.008 0.000 2.802 25 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 25 T C 1.562 176.248 174.700 -0.024 0.000 1.062 25 T CA 1.573 63.659 62.100 -0.023 0.000 1.133 25 T CB -0.635 68.219 68.868 -0.024 0.000 0.852 25 T HN 0.708 nan 8.240 nan 0.000 0.485 26 I N 0.943 121.503 120.570 -0.016 0.000 2.703 26 I HA 0.154 4.324 4.170 -0.000 0.000 0.259 26 I C 3.116 179.225 176.117 -0.014 0.000 1.151 26 I CA 0.588 61.879 61.300 -0.016 0.000 1.470 26 I CB -0.567 37.425 38.000 -0.013 0.000 1.112 26 I HN 0.317 nan 8.210 nan 0.000 0.437 27 A N 1.366 124.179 122.820 -0.010 0.000 1.845 27 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 27 A C 1.871 179.448 177.584 -0.010 0.000 1.195 27 A CA 1.657 53.689 52.037 -0.008 0.000 0.616 27 A CB -0.475 18.524 19.000 -0.003 0.000 0.832 27 A HN 0.350 nan 8.150 nan 0.000 0.443 28 E N 0.689 120.880 120.200 -0.016 0.000 2.445 28 E HA 0.063 4.413 4.350 -0.000 0.000 0.189 28 E C 1.559 178.141 176.600 -0.031 0.000 1.069 28 E CA 0.554 56.941 56.400 -0.021 0.000 0.871 28 E CB -0.262 29.422 29.700 -0.026 0.000 0.991 28 E HN 0.689 nan 8.360 nan 0.000 0.481 29 S N 0.369 116.052 115.700 -0.029 0.000 2.493 29 S HA -0.201 4.269 4.470 -0.000 0.000 0.243 29 S C 1.466 176.051 174.600 -0.025 0.000 0.991 29 S CA 0.905 59.085 58.200 -0.034 0.000 0.957 29 S CB -0.090 63.093 63.200 -0.028 0.000 0.756 29 S HN 0.191 nan 8.310 nan 0.000 0.521 30 K N 0.478 120.870 120.400 -0.014 0.000 2.354 30 K HA 0.185 4.505 4.320 -0.000 0.000 0.194 30 K C 0.552 177.158 176.600 0.011 0.000 1.038 30 K CA -0.022 56.263 56.287 -0.003 0.000 1.052 30 K CB 0.388 32.887 32.500 -0.001 0.000 0.861 30 K HN 0.576 nan 8.250 nan 0.000 0.535 31 R N -0.759 119.746 120.500 0.009 0.000 2.892 31 R HA 0.359 4.699 4.340 -0.000 0.000 0.265 31 R C -0.906 175.424 176.300 0.050 0.000 1.025 31 R CA -0.847 55.278 56.100 0.042 0.000 0.982 31 R CB 0.359 30.678 30.300 0.031 0.000 1.185 31 R HN -0.224 nan 8.270 nan 0.000 0.484 32 F N 2.063 121.995 119.950 -0.030 0.000 2.495 32 F HA 0.328 4.855 4.527 -0.000 0.000 0.365 32 F C -1.776 173.998 175.800 -0.043 0.000 1.090 32 F CA -1.804 56.177 58.000 -0.032 0.000 1.235 32 F CB 0.623 39.604 39.000 -0.032 0.000 1.119 32 F HN 0.442 nan 8.300 nan 0.000 0.562 33 P HA 0.002 nan 4.420 nan 0.000 0.265 33 P C 0.618 177.897 177.300 -0.035 0.000 1.187 33 P CA 0.215 63.213 63.100 -0.170 0.000 0.766 33 P CB 0.634 32.181 31.700 -0.254 0.000 0.820 34 L N 1.334 122.489 121.223 -0.112 0.000 2.049 34 L HA -0.019 4.320 4.340 -0.000 0.000 0.203 34 L C 1.207 177.891 176.870 -0.309 0.000 1.074 34 L CA 1.092 55.774 54.840 -0.264 0.000 0.749 34 L CB -0.437 41.288 42.059 -0.557 0.000 0.907 34 L HN 0.506 nan 8.230 nan 0.000 0.439 35 H N -0.195 118.886 119.070 0.019 0.000 2.570 35 H HA 0.350 4.906 4.556 -0.000 0.000 0.342 35 H C -0.460 174.867 175.328 -0.002 0.000 1.245 35 H CA -0.700 55.354 56.048 0.010 0.000 1.318 35 H CB 0.801 30.562 29.762 -0.001 0.000 1.694 35 H HN 0.092 nan 8.280 nan 0.000 0.592 36 E N 0.434 120.723 120.200 0.149 0.000 2.351 36 E HA 0.364 4.714 4.350 -0.000 0.000 0.255 36 E C -0.169 176.451 176.600 0.032 0.000 1.188 36 E CA -0.442 55.996 56.400 0.064 0.000 0.940 36 E CB 1.442 31.169 29.700 0.046 0.000 1.094 36 E HN 0.321 nan 8.360 nan 0.000 0.474 37 M N 0.225 119.823 119.600 -0.003 0.000 2.465 37 M HA 0.304 4.784 4.480 -0.000 0.000 0.284 37 M C -1.340 174.932 176.300 -0.046 0.000 1.212 37 M CA -0.559 54.718 55.300 -0.039 0.000 0.910 37 M CB 1.968 34.534 32.600 -0.055 0.000 1.725 37 M HN 0.327 nan 8.290 nan 0.000 0.477 38 R N 2.235 122.692 120.500 -0.072 0.000 2.538 38 R HA -0.025 4.315 4.340 -0.000 0.000 0.282 38 R C 0.139 176.412 176.300 -0.045 0.000 1.009 38 R CA 0.050 56.114 56.100 -0.060 0.000 1.063 38 R CB 0.274 30.525 30.300 -0.083 0.000 0.945 38 R HN 0.659 nan 8.270 nan 0.000 0.414 39 D N 2.243 122.634 120.400 -0.015 0.000 2.106 39 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 39 D C 1.014 177.343 176.300 0.049 0.000 0.997 39 D CA 1.580 55.588 54.000 0.012 0.000 0.834 39 D CB 0.006 40.810 40.800 0.007 0.000 0.956 39 D HN 0.531 nan 8.370 nan 0.000 0.448 40 D N -0.049 120.375 120.400 0.040 0.000 2.218 40 D HA -0.090 4.550 4.640 -0.000 0.000 0.204 40 D C 2.208 178.572 176.300 0.107 0.000 0.976 40 D CA 0.296 54.359 54.000 0.106 0.000 0.853 40 D CB -0.019 40.825 40.800 0.074 0.000 0.939 40 D HN 0.111 nan 8.370 nan 0.000 0.481 41 V N 1.226 121.104 119.914 -0.060 0.000 2.379 41 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 41 V C 2.534 178.539 176.094 -0.150 0.000 1.044 41 V CA 1.524 63.651 62.300 -0.288 0.000 1.036 41 V CB -0.592 30.900 31.823 -0.552 0.000 0.664 41 V HN 0.158 nan 8.190 nan 0.000 0.453 42 A N -0.253 122.530 122.820 -0.062 0.000 1.902 42 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 42 A C 2.103 179.711 177.584 0.039 0.000 1.181 42 A CA 1.990 54.016 52.037 -0.019 0.000 0.623 42 A CB -0.682 18.317 19.000 -0.001 0.000 0.818 42 A HN 0.533 nan 8.150 nan 0.000 0.443 43 F N 0.777 120.720 119.950 -0.011 0.000 2.102 43 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 43 F C 2.424 178.259 175.800 0.059 0.000 1.105 43 F CA 2.238 60.249 58.000 0.017 0.000 1.239 43 F CB -0.522 38.488 39.000 0.016 0.000 0.991 43 F HN 0.312 nan 8.300 nan 0.000 0.474 44 Q N 0.245 120.014 119.800 -0.051 0.000 2.170 44 Q HA -0.157 4.183 4.340 -0.000 0.000 0.203 44 Q C 2.397 178.387 176.000 -0.017 0.000 0.976 44 Q CA 1.890 57.660 55.803 -0.054 0.000 0.858 44 Q CB -0.212 28.699 28.738 0.289 0.000 0.907 44 Q HN 0.519 nan 8.270 nan 0.000 0.433 45 I N 0.369 120.976 120.570 0.062 0.000 2.179 45 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 45 I C 2.128 178.222 176.117 -0.037 0.000 1.088 45 I CA 1.227 62.569 61.300 0.069 0.000 1.357 45 I CB -0.180 37.852 38.000 0.054 0.000 1.051 45 I HN 0.216 nan 8.210 nan 0.000 0.409 46 I N 0.573 121.077 120.570 -0.111 0.000 2.286 46 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 46 I C 2.311 178.318 176.117 -0.183 0.000 1.104 46 I CA 1.370 62.594 61.300 -0.128 0.000 1.397 46 I CB -0.496 37.434 38.000 -0.115 0.000 1.072 46 I HN 0.294 nan 8.210 nan 0.000 0.417 47 N N 1.228 119.706 118.700 -0.370 0.000 2.104 47 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 47 N C 1.478 176.959 175.510 -0.048 0.000 1.024 47 N CA 1.787 54.623 53.050 -0.358 0.000 0.853 47 N CB -0.072 37.997 38.487 -0.697 0.000 1.008 47 N HN 0.174 nan 8.380 nan 0.000 0.424 48 D N -0.120 120.286 120.400 0.010 0.000 2.178 48 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 48 D C 1.582 177.969 176.300 0.144 0.000 0.974 48 D CA 1.043 55.125 54.000 0.137 0.000 0.841 48 D CB -0.285 40.516 40.800 0.001 0.000 0.953 48 D HN 0.737 nan 8.370 nan 0.000 0.478 49 E N 0.325 120.553 120.200 0.047 0.000 2.371 49 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 49 E C 2.005 178.623 176.600 0.031 0.000 1.012 49 E CA 0.139 56.559 56.400 0.033 0.000 0.860 49 E CB -0.343 29.356 29.700 -0.002 0.000 0.811 49 E HN 0.234 nan 8.360 nan 0.000 0.502 50 L N 0.223 121.445 121.223 -0.001 0.000 2.456 50 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 50 L C 1.557 178.386 176.870 -0.067 0.000 1.148 50 L CA 0.720 55.523 54.840 -0.063 0.000 0.825 50 L CB -0.347 41.634 42.059 -0.129 0.000 0.937 50 L HN 0.146 nan 8.230 nan 0.000 0.450 51 Y N -0.273 119.989 120.300 -0.063 0.000 2.497 51 Y HA -0.164 4.386 4.550 -0.000 0.000 0.292 51 Y C 2.181 178.052 175.900 -0.049 0.000 1.137 51 Y CA 0.818 58.886 58.100 -0.054 0.000 1.285 51 Y CB -0.155 38.271 38.460 -0.055 0.000 0.991 51 Y HN 0.144 nan 8.280 nan 0.000 0.556 52 L N -0.624 120.652 121.223 0.089 0.000 2.465 52 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 52 L C 0.213 177.085 176.870 0.003 0.000 1.145 52 L CA 0.312 55.173 54.840 0.035 0.000 0.834 52 L CB -0.290 41.778 42.059 0.014 0.000 0.944 52 L HN 0.054 nan 8.230 nan 0.000 0.451 53 D N 0.223 120.613 120.400 -0.016 0.000 2.339 53 D HA 0.266 4.906 4.640 -0.000 0.000 0.245 53 D C 0.438 176.717 176.300 -0.035 0.000 1.115 53 D CA 0.180 54.158 54.000 -0.036 0.000 0.917 53 D CB 1.417 42.182 40.800 -0.058 0.000 1.192 53 D HN 0.033 nan 8.370 nan 0.000 0.428 54 G N -0.002 108.777 108.800 -0.035 0.000 2.562 54 G HA2 0.183 4.143 3.960 -0.000 0.000 0.275 54 G HA3 0.183 4.143 3.960 -0.000 0.000 0.275 54 G C 0.718 175.591 174.900 -0.045 0.000 1.196 54 G CA -0.508 44.571 45.100 -0.035 0.000 0.908 54 G HN 0.539 nan 8.290 nan 0.000 0.524 55 N N -1.574 117.098 118.700 -0.047 0.000 2.236 55 N HA 0.295 5.035 4.740 -0.000 0.000 0.196 55 N C 1.270 176.756 175.510 -0.041 0.000 1.114 55 N CA 0.966 53.986 53.050 -0.050 0.000 0.859 55 N CB 0.625 39.080 38.487 -0.052 0.000 0.982 55 N HN 1.160 nan 8.380 nan 0.000 0.493 56 A N -0.358 122.439 122.820 -0.038 0.000 3.420 56 A HA -0.316 4.004 4.320 -0.000 0.000 0.269 56 A C 1.685 179.247 177.584 -0.036 0.000 1.122 56 A CA 1.346 53.367 52.037 -0.027 0.000 1.023 56 A CB -1.861 17.130 19.000 -0.015 0.000 1.099 56 A HN 0.288 nan 8.150 nan 0.000 0.860 57 R N -0.433 120.034 120.500 -0.056 0.000 2.120 57 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 57 R C 1.699 177.945 176.300 -0.090 0.000 1.123 57 R CA 1.841 57.895 56.100 -0.076 0.000 0.975 57 R CB -0.362 29.879 30.300 -0.098 0.000 0.866 57 R HN 0.884 nan 8.270 nan 0.000 0.446 58 Q N 0.335 120.060 119.800 -0.124 0.000 2.220 58 Q HA 0.081 4.421 4.340 -0.000 0.000 0.205 58 Q C -0.140 175.898 176.000 0.064 0.000 0.865 58 Q CA -0.303 55.411 55.803 -0.148 0.000 0.960 58 Q CB 0.359 28.789 28.738 -0.513 0.000 1.097 58 Q HN 0.105 nan 8.270 nan 0.000 0.493 59 N N 1.149 119.858 118.700 0.016 0.000 2.414 59 N HA 0.099 4.839 4.740 -0.000 0.000 0.256 59 N C -0.246 175.257 175.510 -0.013 0.000 1.029 59 N CA 0.049 53.120 53.050 0.035 0.000 0.948 59 N CB 0.762 39.262 38.487 0.022 0.000 1.102 59 N HN 0.209 nan 8.380 nan 0.000 0.496 60 L N 2.800 124.015 121.223 -0.013 0.000 2.872 60 L HA 0.318 4.658 4.340 -0.000 0.000 0.245 60 L C 1.503 178.325 176.870 -0.081 0.000 1.211 60 L CA -0.181 54.578 54.840 -0.135 0.000 1.013 60 L CB 0.200 42.131 42.059 -0.213 0.000 1.326 60 L HN 0.517 nan 8.230 nan 0.000 0.525 61 A N -0.907 121.911 122.820 -0.003 0.000 1.973 61 A HA 0.089 4.408 4.320 -0.000 0.000 0.210 61 A C 1.283 178.902 177.584 0.059 0.000 1.200 61 A CA 0.510 52.577 52.037 0.050 0.000 0.707 61 A CB 0.133 19.211 19.000 0.129 0.000 0.862 61 A HN 0.243 nan 8.150 nan 0.000 0.461 62 T N -1.552 113.049 114.554 0.078 0.000 2.882 62 T HA 0.427 4.777 4.350 -0.000 0.000 0.287 62 T C 0.262 175.015 174.700 0.089 0.000 1.014 62 T CA -0.244 61.963 62.100 0.178 0.000 1.049 62 T CB 0.141 69.099 68.868 0.149 0.000 1.001 62 T HN 0.170 nan 8.240 nan 0.000 0.525 63 F N 0.793 120.731 119.950 -0.021 0.000 2.714 63 F HA 0.300 4.827 4.527 -0.000 0.000 0.294 63 F C 1.663 177.379 175.800 -0.139 0.000 1.120 63 F CA -0.784 57.173 58.000 -0.071 0.000 1.398 63 F CB -0.435 38.579 39.000 0.024 0.000 1.120 63 F HN 0.415 nan 8.300 nan 0.000 0.589 64 C N 2.288 121.666 119.300 0.129 0.000 2.662 64 C HA 0.146 4.605 4.460 -0.000 0.000 0.420 64 C C 0.812 175.794 174.990 -0.013 0.000 1.314 64 C CA -1.129 57.907 59.018 0.029 0.000 1.963 64 C CB -0.244 27.469 27.740 -0.045 0.000 2.686 64 C HN 0.222 nan 8.230 nan 0.000 0.609 65 Q N 1.722 121.521 119.800 -0.002 0.000 2.286 65 Q HA 0.089 4.429 4.340 -0.000 0.000 0.290 65 Q C 1.147 177.163 176.000 0.025 0.000 1.049 65 Q CA 0.867 56.680 55.803 0.016 0.000 0.923 65 Q CB 0.509 29.278 28.738 0.052 0.000 1.183 65 Q HN 1.008 nan 8.270 nan 0.000 0.383 66 T N -2.304 112.286 114.554 0.060 0.000 3.087 66 T HA 0.109 4.459 4.350 -0.000 0.000 0.283 66 T C 0.013 174.786 174.700 0.121 0.000 0.956 66 T CA -0.583 61.551 62.100 0.056 0.000 0.894 66 T CB 0.037 68.922 68.868 0.028 0.000 1.160 66 T HN 0.438 nan 8.240 nan 0.000 0.532 67 W N 2.635 123.920 121.300 -0.026 0.000 2.183 67 W HA 0.557 5.217 4.660 -0.000 0.000 0.348 67 W C -0.996 175.539 176.519 0.027 0.000 1.257 67 W CA -0.500 56.840 57.345 -0.009 0.000 1.324 67 W CB 0.675 30.131 29.460 -0.007 0.000 1.144 67 W HN 0.010 nan 8.180 nan 0.000 0.622 68 D N 2.958 122.865 120.400 -0.822 0.000 2.391 68 D HA 0.069 4.709 4.640 -0.000 0.000 0.245 68 D C -1.440 174.264 176.300 -0.994 0.000 1.069 68 D CA -0.272 53.370 54.000 -0.596 0.000 0.831 68 D CB 1.683 42.286 40.800 -0.329 0.000 1.204 68 D HN 0.233 nan 8.370 nan 0.000 0.503 69 D N 2.022 122.153 120.400 -0.449 0.000 2.492 69 D HA 0.034 4.674 4.640 -0.000 0.000 0.248 69 D C 0.813 177.076 176.300 -0.061 0.000 1.101 69 D CA -0.387 53.424 54.000 -0.316 0.000 0.840 69 D CB 1.836 42.627 40.800 -0.014 0.000 1.209 69 D HN 0.371 nan 8.370 nan 0.000 0.524 70 E N 3.104 123.239 120.200 -0.109 0.000 2.097 70 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 70 E C 0.908 177.479 176.600 -0.048 0.000 1.000 70 E CA 1.205 57.559 56.400 -0.078 0.000 0.804 70 E CB 0.259 29.903 29.700 -0.093 0.000 0.740 70 E HN 0.426 nan 8.360 nan 0.000 0.454 71 N N 0.046 118.690 118.700 -0.092 0.000 2.223 71 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 71 N C 1.863 177.179 175.510 -0.323 0.000 1.016 71 N CA 1.037 53.944 53.050 -0.238 0.000 0.863 71 N CB -0.192 38.056 38.487 -0.398 0.000 0.983 71 N HN 0.091 nan 8.380 nan 0.000 0.429 72 V N 1.214 120.991 119.914 -0.228 0.000 2.427 72 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 72 V C 2.114 178.114 176.094 -0.156 0.000 1.051 72 V CA 1.286 63.472 62.300 -0.189 0.000 1.048 72 V CB -0.575 31.201 31.823 -0.078 0.000 0.666 72 V HN 0.406 nan 8.190 nan 0.000 0.456 73 H N 0.579 119.565 119.070 -0.140 0.000 2.353 73 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 73 H C 2.396 177.662 175.328 -0.103 0.000 1.090 73 H CA 1.673 57.654 56.048 -0.112 0.000 1.327 73 H CB 0.154 29.848 29.762 -0.114 0.000 1.383 73 H HN 0.436 nan 8.280 nan 0.000 0.508 74 K N 0.444 120.845 120.400 0.001 0.000 2.057 74 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 74 K C 2.416 178.979 176.600 -0.062 0.000 1.050 74 K CA 0.682 56.947 56.287 -0.037 0.000 0.935 74 K CB -0.003 32.462 32.500 -0.058 0.000 0.715 74 K HN 0.142 nan 8.250 nan 0.000 0.439 75 L N 0.456 121.616 121.223 -0.105 0.000 2.046 75 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 75 L C 2.555 179.386 176.870 -0.065 0.000 1.077 75 L CA 0.843 55.629 54.840 -0.090 0.000 0.747 75 L CB -0.314 41.666 42.059 -0.130 0.000 0.896 75 L HN 0.241 nan 8.230 nan 0.000 0.432 76 M N -0.669 118.882 119.600 -0.083 0.000 2.132 76 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 76 M C 1.925 178.191 176.300 -0.057 0.000 1.065 76 M CA 1.628 56.880 55.300 -0.079 0.000 1.122 76 M CB -1.090 31.436 32.600 -0.123 0.000 1.365 76 M HN 0.219 nan 8.290 nan 0.000 0.411 77 D N 0.834 121.208 120.400 -0.045 0.000 2.144 77 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 77 D C 1.764 178.050 176.300 -0.023 0.000 0.984 77 D CA 1.064 55.048 54.000 -0.026 0.000 0.834 77 D CB 0.022 40.816 40.800 -0.011 0.000 0.955 77 D HN 0.367 nan 8.370 nan 0.000 0.465 78 L N -1.798 119.411 121.223 -0.023 0.000 2.478 78 L HA 0.290 4.630 4.340 -0.000 0.000 0.223 78 L C 1.616 178.478 176.870 -0.013 0.000 1.140 78 L CA 0.837 55.670 54.840 -0.012 0.000 0.842 78 L CB -0.253 41.802 42.059 -0.007 0.000 0.953 78 L HN -0.180 nan 8.230 nan 0.000 0.452 79 S N -0.437 115.245 115.700 -0.029 0.000 2.540 79 S HA 0.270 4.740 4.470 -0.000 0.000 0.218 79 S C 1.691 176.252 174.600 -0.065 0.000 0.977 79 S CA -0.002 58.170 58.200 -0.047 0.000 0.918 79 S CB -0.256 62.918 63.200 -0.043 0.000 0.806 79 S HN 0.476 nan 8.310 nan 0.000 0.496 80 I N 2.294 122.835 120.570 -0.047 0.000 2.236 80 I HA -0.283 3.887 4.170 -0.000 0.000 0.249 80 I C 0.855 176.940 176.117 -0.053 0.000 1.102 80 I CA 1.407 62.681 61.300 -0.045 0.000 1.365 80 I CB 0.066 38.049 38.000 -0.028 0.000 1.051 80 I HN 0.224 nan 8.210 nan 0.000 0.420 81 N N 0.835 119.501 118.700 -0.057 0.000 2.205 81 N HA 0.095 4.835 4.740 -0.000 0.000 0.201 81 N C -0.291 175.093 175.510 -0.211 0.000 1.128 81 N CA 0.128 53.142 53.050 -0.061 0.000 0.867 81 N CB 0.260 38.758 38.487 0.017 0.000 0.996 81 N HN 0.345 nan 8.380 nan 0.000 0.503 82 K N 1.734 121.933 120.400 -0.335 0.000 2.378 82 K HA 0.090 4.410 4.320 -0.000 0.000 0.288 82 K C -0.055 176.123 176.600 -0.704 0.000 1.057 82 K CA -0.224 55.566 56.287 -0.829 0.000 0.971 82 K CB 0.427 32.656 32.500 -0.451 0.000 0.975 82 K HN -0.086 nan 8.250 nan 0.000 0.475 83 N N 2.924 121.025 118.700 -0.998 0.000 2.406 83 N HA -0.023 4.717 4.740 -0.000 0.000 0.251 83 N C 0.346 175.787 175.510 -0.116 0.000 1.069 83 N CA -0.374 52.500 53.050 -0.292 0.000 0.947 83 N CB 0.435 38.908 38.487 -0.022 0.000 1.111 83 N HN 0.651 nan 8.380 nan 0.000 0.497 84 W N 5.103 126.289 121.300 -0.189 0.000 2.325 84 W HA -0.178 4.482 4.660 -0.000 0.000 0.299 84 W C 1.505 177.964 176.519 -0.100 0.000 1.215 84 W CA 0.892 58.161 57.345 -0.127 0.000 1.244 84 W CB -0.084 29.304 29.460 -0.119 0.000 1.140 84 W HN 0.633 nan 8.180 nan 0.000 0.523 85 I N 0.416 120.937 120.570 -0.081 0.000 2.876 85 I HA -0.073 4.097 4.170 -0.000 0.000 0.264 85 I C 0.665 176.664 176.117 -0.195 0.000 1.204 85 I CA 1.138 62.234 61.300 -0.340 0.000 1.485 85 I CB -0.498 37.192 38.000 -0.517 0.000 1.103 85 I HN -0.228 nan 8.210 nan 0.000 0.446 86 D N 0.519 120.905 120.400 -0.023 0.000 2.558 86 D HA 0.025 4.665 4.640 -0.000 0.000 0.221 86 D C 1.265 177.579 176.300 0.023 0.000 1.143 86 D CA 0.018 54.085 54.000 0.111 0.000 1.010 86 D CB 0.579 41.540 40.800 0.269 0.000 1.068 86 D HN -0.030 nan 8.370 nan 0.000 0.511 87 K N 0.897 121.154 120.400 -0.238 0.000 2.152 87 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 87 K C 1.680 178.101 176.600 -0.299 0.000 1.048 87 K CA 0.815 56.858 56.287 -0.407 0.000 0.933 87 K CB 0.093 32.080 32.500 -0.854 0.000 0.721 87 K HN 0.430 nan 8.250 nan 0.000 0.447 88 E N 0.079 120.141 120.200 -0.231 0.000 2.017 88 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 88 E C 1.808 178.314 176.600 -0.158 0.000 0.997 88 E CA 1.400 57.728 56.400 -0.120 0.000 0.804 88 E CB 0.035 29.758 29.700 0.038 0.000 0.757 88 E HN 0.222 nan 8.360 nan 0.000 0.448 89 E N -0.684 119.376 120.200 -0.234 0.000 2.216 89 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 89 E C -0.250 175.925 176.600 -0.709 0.000 0.988 89 E CA 0.824 56.917 56.400 -0.512 0.000 0.834 89 E CB 0.143 29.408 29.700 -0.725 0.000 0.772 89 E HN 0.272 nan 8.360 nan 0.000 0.479 90 Y N 0.158 120.420 120.300 -0.063 0.000 2.638 90 Y HA 0.311 4.861 4.550 -0.000 0.000 0.367 90 Y C -1.849 173.994 175.900 -0.095 0.000 1.001 90 Y CA -2.273 55.789 58.100 -0.062 0.000 1.133 90 Y CB 1.086 39.516 38.460 -0.050 0.000 1.199 90 Y HN 0.087 nan 8.280 nan 0.000 0.642 91 P HA -0.210 nan 4.420 nan 0.000 0.217 91 P C 1.416 178.694 177.300 -0.036 0.000 1.150 91 P CA 1.306 64.368 63.100 -0.062 0.000 0.832 91 P CB 0.709 32.364 31.700 -0.074 0.000 0.787 92 Q N 0.415 120.214 119.800 -0.001 0.000 2.119 92 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 92 Q C 2.425 178.424 176.000 -0.001 0.000 0.972 92 Q CA 1.676 57.479 55.803 0.001 0.000 0.847 92 Q CB -1.083 27.668 28.738 0.023 0.000 0.903 92 Q HN 0.095 nan 8.270 nan 0.000 0.433 93 S N -0.106 115.613 115.700 0.032 0.000 2.382 93 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 93 S C 1.837 176.429 174.600 -0.013 0.000 1.027 93 S CA 0.967 59.183 58.200 0.027 0.000 0.991 93 S CB -0.432 62.797 63.200 0.049 0.000 0.823 93 S HN 0.576 nan 8.310 nan 0.000 0.469 94 A N 1.360 124.148 122.820 -0.054 0.000 1.930 94 A HA 0.178 4.498 4.320 -0.000 0.000 0.217 94 A C 2.316 179.849 177.584 -0.085 0.000 1.175 94 A CA 1.573 53.538 52.037 -0.119 0.000 0.627 94 A CB -0.941 17.946 19.000 -0.188 0.000 0.815 94 A HN 0.501 nan 8.150 nan 0.000 0.443 95 A N 0.055 122.830 122.820 -0.076 0.000 1.898 95 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 95 A C 2.093 179.611 177.584 -0.109 0.000 1.181 95 A CA 1.449 53.441 52.037 -0.076 0.000 0.620 95 A CB -0.588 18.374 19.000 -0.064 0.000 0.819 95 A HN 0.482 nan 8.150 nan 0.000 0.442 96 I N -0.256 120.224 120.570 -0.150 0.000 2.286 96 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 96 I C 2.254 178.269 176.117 -0.170 0.000 1.115 96 I CA 1.804 62.911 61.300 -0.322 0.000 1.392 96 I CB -0.370 37.449 38.000 -0.301 0.000 1.065 96 I HN 0.355 nan 8.210 nan 0.000 0.418 97 D N 1.105 121.507 120.400 0.002 0.000 2.117 97 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 97 D C 2.250 178.650 176.300 0.166 0.000 0.987 97 D CA 1.313 55.420 54.000 0.178 0.000 0.829 97 D CB -0.035 40.900 40.800 0.224 0.000 0.961 97 D HN 0.232 nan 8.370 nan 0.000 0.460 98 L N -0.247 121.014 121.223 0.062 0.000 2.093 98 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 98 L C 2.712 179.603 176.870 0.036 0.000 1.085 98 L CA 0.856 55.732 54.840 0.060 0.000 0.755 98 L CB -0.295 41.773 42.059 0.015 0.000 0.904 98 L HN 0.031 nan 8.230 nan 0.000 0.435 99 R N -0.904 119.584 120.500 -0.019 0.000 2.073 99 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 99 R C 2.435 178.760 176.300 0.042 0.000 1.134 99 R CA 1.748 57.840 56.100 -0.012 0.000 0.952 99 R CB -0.739 29.503 30.300 -0.096 0.000 0.850 99 R HN 0.393 nan 8.270 nan 0.000 0.433 100 C N 0.038 119.374 119.300 0.061 0.000 2.413 100 C HA -0.086 4.374 4.460 -0.000 0.000 0.276 100 C C 2.720 177.611 174.990 -0.164 0.000 1.248 100 C CA 0.545 59.593 59.018 0.050 0.000 1.742 100 C CB -0.667 27.098 27.740 0.041 0.000 2.017 100 C HN 0.315 nan 8.230 nan 0.000 0.481 101 V N 1.699 121.599 119.914 -0.024 0.000 2.343 101 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 101 V C 2.249 178.307 176.094 -0.060 0.000 1.051 101 V CA 2.050 64.356 62.300 0.010 0.000 1.036 101 V CB -0.668 31.274 31.823 0.199 0.000 0.654 101 V HN 0.545 nan 8.190 nan 0.000 0.451 102 N N -0.128 118.552 118.700 -0.033 0.000 2.142 102 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 102 N C 1.831 177.264 175.510 -0.128 0.000 1.023 102 N CA 1.584 54.600 53.050 -0.056 0.000 0.852 102 N CB -0.300 38.172 38.487 -0.025 0.000 0.998 102 N HN 0.441 nan 8.380 nan 0.000 0.424 103 M N 0.064 119.580 119.600 -0.141 0.000 2.159 103 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 103 M C 2.052 178.096 176.300 -0.426 0.000 1.063 103 M CA 1.015 56.172 55.300 -0.239 0.000 1.110 103 M CB -0.145 32.337 32.600 -0.198 0.000 1.374 103 M HN -0.098 nan 8.290 nan 0.000 0.411 104 V N 0.268 119.884 119.914 -0.498 0.000 2.453 104 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 104 V C 2.636 178.288 176.094 -0.736 0.000 1.048 104 V CA 1.822 63.648 62.300 -0.789 0.000 1.049 104 V CB -1.121 30.163 31.823 -0.898 0.000 0.672 104 V HN 0.490 nan 8.190 nan 0.000 0.457 105 A N 0.358 122.957 122.820 -0.369 0.000 1.902 105 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 105 A C 2.039 179.532 177.584 -0.152 0.000 1.181 105 A CA 2.236 54.185 52.037 -0.147 0.000 0.623 105 A CB -0.710 18.247 19.000 -0.072 0.000 0.818 105 A HN 0.614 nan 8.150 nan 0.000 0.443 106 D N -0.667 119.603 120.400 -0.218 0.000 2.117 106 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 106 D C 1.734 177.846 176.300 -0.313 0.000 0.987 106 D CA 1.301 55.172 54.000 -0.215 0.000 0.829 106 D CB -0.216 40.467 40.800 -0.196 0.000 0.961 106 D HN 0.228 nan 8.370 nan 0.000 0.460 107 L N -0.365 120.611 121.223 -0.412 0.000 2.079 107 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 107 L C 1.075 177.757 176.870 -0.314 0.000 1.081 107 L CA 1.297 55.858 54.840 -0.465 0.000 0.752 107 L CB -0.438 41.237 42.059 -0.640 0.000 0.896 107 L HN 0.276 nan 8.230 nan 0.000 0.433 108 W N -0.189 120.922 121.300 -0.316 0.000 3.325 108 W HA 0.233 4.893 4.660 -0.000 0.000 0.370 108 W C 0.522 176.983 176.519 -0.097 0.000 1.169 108 W CA -0.298 56.862 57.345 -0.309 0.000 1.874 108 W CB -1.124 28.161 29.460 -0.291 0.000 1.076 108 W HN 0.347 nan 8.180 nan 0.000 0.684 109 H N -1.390 117.719 119.070 0.066 0.000 2.862 109 H HA -0.152 4.404 4.556 -0.000 0.000 0.290 109 H C 0.861 176.233 175.328 0.073 0.000 1.211 109 H CA 0.883 56.943 56.048 0.019 0.000 1.140 109 H CB -1.703 28.020 29.762 -0.065 0.000 1.341 109 H HN 0.115 nan 8.280 nan 0.000 0.392 110 A N 1.170 124.069 122.820 0.131 0.000 2.462 110 A HA 0.395 4.715 4.320 -0.000 0.000 0.243 110 A C -1.532 175.968 177.584 -0.140 0.000 1.076 110 A CA -0.846 51.068 52.037 -0.206 0.000 0.773 110 A CB 0.272 19.045 19.000 -0.378 0.000 1.010 110 A HN 0.036 nan 8.150 nan 0.000 0.493 111 P HA 0.220 nan 4.420 nan 0.000 0.267 111 P C -0.100 177.151 177.300 -0.082 0.000 1.200 111 P CA 0.436 63.480 63.100 -0.094 0.000 0.772 111 P CB 0.484 32.129 31.700 -0.092 0.000 0.855 112 A N 4.758 127.547 122.820 -0.051 0.000 2.548 112 A HA 0.242 4.562 4.320 -0.000 0.000 0.247 112 A C -1.801 175.760 177.584 -0.038 0.000 1.067 112 A CA -0.691 51.321 52.037 -0.041 0.000 0.757 112 A CB -1.348 17.635 19.000 -0.028 0.000 0.996 112 A HN 0.428 nan 8.150 nan 0.000 0.504 113 P HA 0.104 nan 4.420 nan 0.000 0.266 113 P C 0.201 177.491 177.300 -0.016 0.000 1.195 113 P CA 0.057 63.144 63.100 -0.023 0.000 0.768 113 P CB 0.485 32.177 31.700 -0.014 0.000 0.838 114 K N 1.738 122.130 120.400 -0.013 0.000 2.365 114 K HA -0.017 4.303 4.320 -0.000 0.000 0.197 114 K C 0.958 177.554 176.600 -0.007 0.000 1.042 114 K CA 0.785 57.066 56.287 -0.010 0.000 0.987 114 K CB -0.175 32.320 32.500 -0.009 0.000 0.779 114 K HN 0.427 nan 8.250 nan 0.000 0.484 115 N N -0.613 118.084 118.700 -0.004 0.000 2.299 115 N HA 0.099 4.839 4.740 -0.000 0.000 0.246 115 N C 0.821 176.330 175.510 -0.001 0.000 1.254 115 N CA 0.432 53.481 53.050 -0.002 0.000 0.879 115 N CB 0.961 39.449 38.487 0.001 0.000 1.214 115 N HN 0.205 nan 8.380 nan 0.000 0.510 116 G N 0.376 109.174 108.800 -0.003 0.000 2.347 116 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.247 116 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.247 116 G C -0.074 174.826 174.900 0.001 0.000 1.037 116 G CA 0.577 45.675 45.100 -0.003 0.000 0.622 116 G HN 0.658 nan 8.290 nan 0.000 0.521 117 Q N 1.183 120.987 119.800 0.007 0.000 2.307 117 Q HA 0.786 5.126 4.340 -0.000 0.000 0.262 117 Q C 0.341 176.357 176.000 0.027 0.000 0.961 117 Q CA 0.408 56.222 55.803 0.019 0.000 0.882 117 Q CB 1.328 30.082 28.738 0.027 0.000 1.264 117 Q HN 1.110 nan 8.270 nan 0.000 0.446 118 A N 2.932 125.770 122.820 0.030 0.000 2.406 118 A HA 0.426 4.746 4.320 -0.000 0.000 0.243 118 A C -0.602 177.043 177.584 0.102 0.000 1.082 118 A CA -0.445 51.615 52.037 0.039 0.000 0.786 118 A CB 0.512 19.525 19.000 0.021 0.000 1.029 118 A HN 0.596 nan 8.150 nan 0.000 0.495 119 V N 1.748 121.745 119.914 0.138 0.000 2.348 119 V HA 0.641 4.761 4.120 -0.000 0.000 0.270 119 V C 0.786 177.145 176.094 0.440 0.000 1.037 119 V CA 0.897 63.344 62.300 0.246 0.000 0.872 119 V CB -0.050 31.911 31.823 0.230 0.000 1.002 119 V HN 1.465 nan 8.190 nan 0.000 0.464 120 G N 3.011 112.103 108.800 0.487 0.000 2.322 120 G HA2 0.571 4.531 3.960 -0.000 0.000 0.295 120 G HA3 0.571 4.531 3.960 -0.000 0.000 0.295 120 G C -1.081 174.146 174.900 0.545 0.000 1.369 120 G CA 0.050 45.515 45.100 0.608 0.000 0.821 120 G HN 0.690 nan 8.290 nan 0.000 0.536 121 T N -0.627 114.263 114.554 0.560 0.000 2.889 121 T HA 0.509 4.859 4.350 -0.000 0.000 0.315 121 T C -0.997 173.966 174.700 0.439 0.000 1.291 121 T CA -0.652 61.758 62.100 0.517 0.000 1.028 121 T CB 1.693 70.865 68.868 0.506 0.000 1.235 121 T HN 0.807 nan 8.240 nan 0.000 0.491 122 N N 1.253 120.161 118.700 0.347 0.000 2.483 122 N HA 0.531 5.271 4.740 -0.000 0.000 0.269 122 N C -0.350 174.940 175.510 -0.366 0.000 1.209 122 N CA 0.061 52.970 53.050 -0.235 0.000 0.969 122 N CB 1.382 39.658 38.487 -0.351 0.000 1.173 122 N HN 0.883 nan 8.380 nan 0.000 0.475 123 T N -0.745 113.466 114.554 -0.571 0.000 2.778 123 T HA 0.359 4.709 4.350 -0.000 0.000 0.293 123 T C 1.348 175.750 174.700 -0.497 0.000 1.144 123 T CA -0.786 61.032 62.100 -0.470 0.000 1.010 123 T CB 0.719 69.425 68.868 -0.270 0.000 1.325 123 T HN 0.241 nan 8.240 nan 0.000 0.515 124 I N 0.821 121.176 120.570 -0.358 0.000 2.439 124 I HA 0.255 4.425 4.170 -0.000 0.000 0.251 124 I C 1.452 177.475 176.117 -0.156 0.000 1.139 124 I CA 1.639 62.786 61.300 -0.254 0.000 1.438 124 I CB -1.156 36.744 38.000 -0.166 0.000 1.085 124 I HN 1.026 nan 8.210 nan 0.000 0.427 125 G N -1.710 106.995 108.800 -0.158 0.000 2.489 125 G HA2 0.206 4.166 3.960 -0.000 0.000 0.305 125 G HA3 0.206 4.166 3.960 -0.000 0.000 0.305 125 G C 0.171 175.007 174.900 -0.108 0.000 1.311 125 G CA 0.111 45.143 45.100 -0.113 0.000 0.813 125 G HN -0.162 nan 8.290 nan 0.000 0.480 126 S N -0.450 115.222 115.700 -0.048 0.000 2.423 126 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 126 S C 2.601 177.155 174.600 -0.076 0.000 1.014 126 S CA 1.752 59.942 58.200 -0.017 0.000 0.965 126 S CB -0.228 62.997 63.200 0.041 0.000 0.785 126 S HN 0.513 nan 8.310 nan 0.000 0.495 127 S N 1.175 116.830 115.700 -0.076 0.000 2.351 127 S HA -0.186 4.284 4.470 -0.000 0.000 0.220 127 S C 1.927 176.439 174.600 -0.147 0.000 1.035 127 S CA 1.463 59.587 58.200 -0.127 0.000 1.031 127 S CB -0.385 62.782 63.200 -0.055 0.000 0.928 127 S HN 0.672 nan 8.310 nan 0.000 0.433 128 E N 1.050 121.191 120.200 -0.100 0.000 2.077 128 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 128 E C 2.138 178.649 176.600 -0.148 0.000 0.989 128 E CA 1.032 57.369 56.400 -0.105 0.000 0.800 128 E CB -0.296 29.338 29.700 -0.109 0.000 0.746 128 E HN 0.450 nan 8.360 nan 0.000 0.452 129 A N 0.584 123.329 122.820 -0.125 0.000 1.917 129 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 129 A C 2.495 179.989 177.584 -0.151 0.000 1.182 129 A CA 1.637 53.625 52.037 -0.082 0.000 0.633 129 A CB -1.035 17.967 19.000 0.003 0.000 0.819 129 A HN 0.555 nan 8.150 nan 0.000 0.448 130 C N -0.627 118.513 119.300 -0.267 0.000 2.440 130 C HA -0.097 4.362 4.460 -0.000 0.000 0.278 130 C C 2.952 177.491 174.990 -0.753 0.000 1.295 130 C CA 1.243 59.906 59.018 -0.592 0.000 1.738 130 C CB -1.029 26.108 27.740 -1.006 0.000 1.987 130 C HN 0.604 nan 8.230 nan 0.000 0.492 131 M N 0.683 119.980 119.600 -0.506 0.000 2.086 131 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 131 M C 2.118 178.190 176.300 -0.381 0.000 1.067 131 M CA 1.767 56.817 55.300 -0.416 0.000 1.116 131 M CB -1.452 31.054 32.600 -0.157 0.000 1.348 131 M HN 0.374 nan 8.290 nan 0.000 0.407 132 L N -0.199 120.871 121.223 -0.256 0.000 2.017 132 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 132 L C 2.814 179.846 176.870 0.271 0.000 1.073 132 L CA 1.468 56.246 54.840 -0.104 0.000 0.745 132 L CB -1.576 40.384 42.059 -0.165 0.000 0.894 132 L HN 0.397 nan 8.230 nan 0.000 0.432 133 G N -0.223 108.596 108.800 0.032 0.000 2.422 133 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 133 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 133 G C 1.586 176.428 174.900 -0.098 0.000 1.146 133 G CA 0.750 45.836 45.100 -0.023 0.000 0.769 133 G HN 0.487 nan 8.290 nan 0.000 0.547 134 G N 0.554 109.109 108.800 -0.408 0.000 2.402 134 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 134 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 134 G C 1.879 176.738 174.900 -0.068 0.000 1.162 134 G CA 0.885 45.592 45.100 -0.656 0.000 0.777 134 G HN 0.390 nan 8.290 nan 0.000 0.539 135 M N 0.710 120.328 119.600 0.030 0.000 2.086 135 M HA -0.031 4.449 4.480 -0.000 0.000 0.261 135 M C 3.084 179.566 176.300 0.303 0.000 1.067 135 M CA 1.428 56.833 55.300 0.175 0.000 1.116 135 M CB -0.264 32.333 32.600 -0.005 0.000 1.348 135 M HN 0.335 nan 8.290 nan 0.000 0.407 136 A N 0.095 123.083 122.820 0.280 0.000 1.908 136 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 136 A C 2.134 179.932 177.584 0.356 0.000 1.181 136 A CA 1.610 53.804 52.037 0.262 0.000 0.627 136 A CB -0.635 18.604 19.000 0.398 0.000 0.818 136 A HN 0.456 nan 8.150 nan 0.000 0.445 137 M N -1.019 118.786 119.600 0.341 0.000 2.086 137 M HA -0.186 4.294 4.480 -0.000 0.000 0.261 137 M C 2.361 178.897 176.300 0.392 0.000 1.067 137 M CA 2.150 57.640 55.300 0.316 0.000 1.116 137 M CB -0.335 32.390 32.600 0.209 0.000 1.348 137 M HN 0.519 nan 8.290 nan 0.000 0.407 138 K N -0.197 120.477 120.400 0.456 0.000 2.032 138 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 138 K C 1.983 178.929 176.600 0.577 0.000 1.048 138 K CA 1.508 58.114 56.287 0.532 0.000 0.927 138 K CB -0.192 32.660 32.500 0.585 0.000 0.712 138 K HN 0.452 nan 8.250 nan 0.000 0.441 139 W N 1.276 122.728 121.300 0.254 0.000 2.358 139 W HA -0.158 4.502 4.660 -0.000 0.000 0.303 139 W C 2.161 178.769 176.519 0.148 0.000 1.208 139 W CA 0.994 58.444 57.345 0.174 0.000 1.274 139 W CB -0.088 29.424 29.460 0.087 0.000 1.138 139 W HN 0.208 nan 8.180 nan 0.000 0.515 140 R N -0.974 119.757 120.500 0.385 0.000 2.081 140 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 140 R C 1.968 178.406 176.300 0.229 0.000 1.131 140 R CA 2.000 58.253 56.100 0.256 0.000 0.960 140 R CB -1.220 29.228 30.300 0.247 0.000 0.856 140 R HN 0.224 nan 8.270 nan 0.000 0.436 141 W N 1.896 123.272 121.300 0.127 0.000 2.355 141 W HA -0.143 4.517 4.660 -0.000 0.000 0.309 141 W C 2.170 178.717 176.519 0.046 0.000 1.206 141 W CA 1.137 58.536 57.345 0.090 0.000 1.284 141 W CB -0.162 29.361 29.460 0.106 0.000 1.145 141 W HN -0.131 nan 8.180 nan 0.000 0.502 142 R N 0.537 120.994 120.500 -0.073 0.000 2.083 142 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 142 R C 2.215 178.304 176.300 -0.352 0.000 1.137 142 R CA 2.203 58.064 56.100 -0.399 0.000 0.951 142 R CB -0.473 29.696 30.300 -0.218 0.000 0.851 142 R HN 0.243 nan 8.270 nan 0.000 0.434 143 K N -0.212 120.085 120.400 -0.172 0.000 2.057 143 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 143 K C 2.221 178.734 176.600 -0.144 0.000 1.049 143 K CA 1.366 57.579 56.287 -0.123 0.000 0.931 143 K CB -0.222 32.262 32.500 -0.027 0.000 0.714 143 K HN 0.085 nan 8.250 nan 0.000 0.440 144 R N 0.530 120.943 120.500 -0.144 0.000 2.083 144 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 144 R C 2.311 178.483 176.300 -0.213 0.000 1.137 144 R CA 1.642 57.662 56.100 -0.134 0.000 0.951 144 R CB -0.012 30.236 30.300 -0.088 0.000 0.851 144 R HN 0.109 nan 8.270 nan 0.000 0.434 145 M N 0.467 119.830 119.600 -0.394 0.000 2.117 145 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 145 M C 1.884 178.021 176.300 -0.272 0.000 1.065 145 M CA 1.722 56.775 55.300 -0.412 0.000 1.114 145 M CB -0.851 31.291 32.600 -0.763 0.000 1.361 145 M HN 0.228 nan 8.290 nan 0.000 0.408 146 E N 0.434 120.477 120.200 -0.261 0.000 2.106 146 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 146 E C 2.028 178.556 176.600 -0.120 0.000 0.984 146 E CA 1.163 57.460 56.400 -0.173 0.000 0.806 146 E CB -0.182 29.422 29.700 -0.160 0.000 0.750 146 E HN 0.505 nan 8.360 nan 0.000 0.458 147 A N 1.181 123.933 122.820 -0.114 0.000 2.067 147 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 147 A C 2.183 179.725 177.584 -0.071 0.000 1.158 147 A CA 1.366 53.357 52.037 -0.077 0.000 0.661 147 A CB -0.206 18.755 19.000 -0.065 0.000 0.801 147 A HN 0.253 nan 8.150 nan 0.000 0.452 148 A N -2.033 120.734 122.820 -0.089 0.000 2.308 148 A HA 0.449 4.769 4.320 -0.000 0.000 0.217 148 A C 1.685 179.229 177.584 -0.066 0.000 1.216 148 A CA 1.028 53.022 52.037 -0.071 0.000 0.864 148 A CB -0.671 18.283 19.000 -0.076 0.000 0.902 148 A HN 1.765 nan 8.150 nan 0.000 0.499 149 G N -0.150 108.604 108.800 -0.076 0.000 2.153 149 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 149 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 149 G C 0.169 175.030 174.900 -0.065 0.000 0.994 149 G CA 0.793 45.855 45.100 -0.064 0.000 0.698 149 G HN 0.602 nan 8.290 nan 0.000 0.521 150 K N 0.450 120.797 120.400 -0.089 0.000 2.087 150 K HA 0.536 4.856 4.320 -0.000 0.000 0.255 150 K C -2.290 174.255 176.600 -0.093 0.000 0.988 150 K CA -1.950 54.291 56.287 -0.077 0.000 0.915 150 K CB 0.895 33.347 32.500 -0.080 0.000 1.043 150 K HN 0.005 nan 8.250 nan 0.000 0.457 151 P HA 0.019 nan 4.420 nan 0.000 0.271 151 P C -0.247 177.037 177.300 -0.027 0.000 1.218 151 P CA -0.160 62.929 63.100 -0.018 0.000 0.780 151 P CB 0.596 32.315 31.700 0.030 0.000 0.901 152 T N -3.457 111.090 114.554 -0.011 0.000 3.339 152 T HA 0.096 4.446 4.350 -0.000 0.000 0.292 152 T C 0.448 175.310 174.700 0.270 0.000 1.012 152 T CA -0.338 61.788 62.100 0.042 0.000 0.937 152 T CB -0.506 68.249 68.868 -0.189 0.000 1.164 152 T HN 0.395 nan 8.240 nan 0.000 0.509 153 D N 0.890 121.412 120.400 0.203 0.000 2.349 153 D HA 0.044 4.684 4.640 -0.000 0.000 0.214 153 D C 0.574 176.968 176.300 0.157 0.000 1.063 153 D CA -0.258 53.837 54.000 0.158 0.000 0.847 153 D CB 0.233 41.088 40.800 0.092 0.000 0.933 153 D HN 0.334 nan 8.370 nan 0.000 0.513 154 K N 1.702 122.227 120.400 0.208 0.000 3.163 154 K HA 0.257 4.577 4.320 -0.000 0.000 0.186 154 K C -2.638 173.977 176.600 0.025 0.000 1.111 154 K CA -1.303 55.053 56.287 0.115 0.000 0.918 154 K CB 1.908 34.472 32.500 0.107 0.000 1.059 154 K HN 0.176 nan 8.250 nan 0.000 0.558 155 P HA 0.080 nan 4.420 nan 0.000 0.278 155 P C -1.120 176.020 177.300 -0.267 0.000 1.238 155 P CA -0.322 62.481 63.100 -0.494 0.000 0.794 155 P CB 0.873 32.175 31.700 -0.663 0.000 0.955 156 N N 1.286 119.802 118.700 -0.308 0.000 2.455 156 N HA 0.619 5.359 4.740 -0.000 0.000 0.278 156 N C -1.807 173.618 175.510 -0.141 0.000 1.291 156 N CA -0.960 52.001 53.050 -0.148 0.000 0.780 156 N CB 1.158 39.588 38.487 -0.096 0.000 1.520 156 N HN 0.244 nan 8.380 nan 0.000 0.486 157 L N 0.763 121.951 121.223 -0.059 0.000 2.409 157 L HA 0.657 4.997 4.340 -0.000 0.000 0.272 157 L C -1.593 175.230 176.870 -0.079 0.000 0.980 157 L CA -0.823 53.985 54.840 -0.054 0.000 0.826 157 L CB 1.989 44.075 42.059 0.046 0.000 1.268 157 L HN 0.547 nan 8.230 nan 0.000 0.407 158 V N 4.496 124.344 119.914 -0.110 0.000 2.439 158 V HA 0.705 4.825 4.120 -0.000 0.000 0.282 158 V C 0.155 176.161 176.094 -0.146 0.000 1.039 158 V CA -0.123 62.110 62.300 -0.112 0.000 0.913 158 V CB 0.965 32.720 31.823 -0.114 0.000 0.983 158 V HN 1.078 nan 8.190 nan 0.000 0.460 159 C N 2.462 121.686 119.300 -0.126 0.000 3.284 159 C HA 0.964 5.424 4.460 -0.000 0.000 0.348 159 C C 0.501 175.450 174.990 -0.069 0.000 1.448 159 C CA -0.051 58.878 59.018 -0.149 0.000 1.223 159 C CB 1.167 28.756 27.740 -0.251 0.000 1.588 159 C HN 0.985 nan 8.230 nan 0.000 0.451 160 G N -0.396 108.380 108.800 -0.040 0.000 2.940 160 G HA2 0.752 4.712 3.960 -0.000 0.000 0.164 160 G HA3 0.752 4.712 3.960 -0.000 0.000 0.164 160 G C -2.513 172.446 174.900 0.100 0.000 1.326 160 G CA -0.736 44.394 45.100 0.049 0.000 1.020 160 G HN 0.811 nan 8.290 nan 0.000 0.586 161 P HA 0.155 nan 4.420 nan 0.000 0.241 161 P C 0.501 178.009 177.300 0.348 0.000 1.760 161 P CA -0.126 63.157 63.100 0.305 0.000 1.081 161 P CB -0.226 31.701 31.700 0.378 0.000 1.975 162 V N -0.206 119.860 119.914 0.254 0.000 3.185 162 V HA 0.206 4.326 4.120 -0.000 0.000 0.305 162 V C 0.660 176.984 176.094 0.383 0.000 1.090 162 V CA -0.610 61.828 62.300 0.229 0.000 1.107 162 V CB 0.372 32.261 31.823 0.111 0.000 1.061 162 V HN 0.265 nan 8.190 nan 0.000 0.480 163 Q N 0.859 120.851 119.800 0.319 0.000 2.368 163 Q HA 0.258 4.598 4.340 -0.000 0.000 0.237 163 Q C 0.994 177.216 176.000 0.369 0.000 0.987 163 Q CA -0.117 55.839 55.803 0.255 0.000 0.896 163 Q CB 1.335 30.122 28.738 0.082 0.000 1.241 163 Q HN 0.938 nan 8.270 nan 0.000 0.485 164 I N 2.001 122.736 120.570 0.274 0.000 2.502 164 I HA -0.339 3.831 4.170 -0.000 0.000 0.258 164 I C 2.222 178.419 176.117 0.133 0.000 1.172 164 I CA 1.426 62.843 61.300 0.194 0.000 1.430 164 I CB -0.024 37.895 38.000 -0.136 0.000 1.086 164 I HN 0.851 nan 8.210 nan 0.000 0.440 165 C N -0.854 118.463 119.300 0.028 0.000 2.410 165 C HA -0.161 4.299 4.460 -0.000 0.000 0.281 165 C C 2.258 177.145 174.990 -0.172 0.000 1.318 165 C CA 0.041 58.985 59.018 -0.124 0.000 1.776 165 C CB -2.089 25.490 27.740 -0.268 0.000 1.942 165 C HN 0.708 nan 8.230 nan 0.000 0.508 166 W N -0.140 121.206 121.300 0.077 0.000 2.518 166 W HA 0.091 4.751 4.660 -0.000 0.000 0.273 166 W C 2.930 179.471 176.519 0.038 0.000 1.247 166 W CA 0.939 58.318 57.345 0.056 0.000 1.288 166 W CB -0.545 28.893 29.460 -0.037 0.000 1.107 166 W HN 0.442 nan 8.180 nan 0.000 0.586 167 H N 0.418 119.620 119.070 0.220 0.000 2.389 167 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 167 H C 1.829 177.134 175.328 -0.038 0.000 1.081 167 H CA 1.371 57.482 56.048 0.105 0.000 1.345 167 H CB -0.016 29.782 29.762 0.059 0.000 1.393 167 H HN 0.231 nan 8.280 nan 0.000 0.520 168 K N 0.167 120.545 120.400 -0.037 0.000 2.057 168 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 168 K C 2.099 178.455 176.600 -0.406 0.000 1.050 168 K CA 1.016 57.008 56.287 -0.492 0.000 0.935 168 K CB -0.247 31.992 32.500 -0.435 0.000 0.715 168 K HN 0.082 nan 8.250 nan 0.000 0.439 169 F N 2.038 121.941 119.950 -0.077 0.000 2.069 169 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 169 F C 2.210 178.199 175.800 0.316 0.000 1.113 169 F CA 1.578 59.720 58.000 0.237 0.000 1.214 169 F CB -0.535 38.495 39.000 0.050 0.000 0.978 169 F HN -0.016 nan 8.300 nan 0.000 0.474 170 A N 0.391 123.286 122.820 0.123 0.000 1.883 170 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 170 A C 2.242 179.804 177.584 -0.036 0.000 1.186 170 A CA 2.103 54.156 52.037 0.027 0.000 0.624 170 A CB -0.881 18.197 19.000 0.130 0.000 0.822 170 A HN 0.454 nan 8.150 nan 0.000 0.444 171 R N -1.317 119.155 120.500 -0.047 0.000 2.062 171 R HA -0.119 4.221 4.340 -0.000 0.000 0.231 171 R C 1.909 178.249 176.300 0.067 0.000 1.136 171 R CA 1.878 57.969 56.100 -0.015 0.000 0.948 171 R CB -0.792 29.475 30.300 -0.055 0.000 0.845 171 R HN 0.556 nan 8.270 nan 0.000 0.430 172 Y N -1.423 118.812 120.300 -0.108 0.000 2.293 172 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 172 Y C 1.292 176.886 175.900 -0.510 0.000 1.137 172 Y CA 0.178 58.065 58.100 -0.354 0.000 1.202 172 Y CB -0.401 37.724 38.460 -0.557 0.000 0.990 172 Y HN 0.212 nan 8.280 nan 0.000 0.537 173 W N 0.832 122.059 121.300 -0.121 0.000 3.067 173 W HA 0.176 4.835 4.660 -0.000 0.000 0.417 173 W C -0.363 176.076 176.519 -0.134 0.000 1.029 173 W CA -0.287 56.961 57.345 -0.163 0.000 1.992 173 W CB -0.047 29.183 29.460 -0.384 0.000 1.122 173 W HN 0.077 nan 8.180 nan 0.000 0.681 174 D N 1.186 121.610 120.400 0.040 0.000 2.735 174 D HA -0.154 4.486 4.640 -0.000 0.000 0.235 174 D C -0.396 175.924 176.300 0.034 0.000 1.175 174 D CA 0.848 54.870 54.000 0.037 0.000 0.683 174 D CB -1.338 39.492 40.800 0.049 0.000 1.008 174 D HN -0.123 nan 8.370 nan 0.000 0.416 175 V N 0.760 120.677 119.914 0.005 0.000 2.540 175 V HA 0.173 4.293 4.120 -0.000 0.000 0.302 175 V C 0.644 176.754 176.094 0.026 0.000 1.035 175 V CA -0.853 61.456 62.300 0.015 0.000 0.873 175 V CB 2.204 34.063 31.823 0.060 0.000 0.992 175 V HN 0.136 nan 8.190 nan 0.000 0.428 176 E N 4.335 124.540 120.200 0.007 0.000 2.351 176 E HA 0.090 4.440 4.350 -0.000 0.000 0.266 176 E C -0.864 175.748 176.600 0.019 0.000 1.031 176 E CA -0.366 56.041 56.400 0.013 0.000 0.911 176 E CB 0.722 30.421 29.700 -0.001 0.000 0.986 176 E HN 0.489 nan 8.360 nan 0.000 0.446 177 L N 6.676 127.918 121.223 0.032 0.000 2.261 177 L HA 0.242 4.582 4.340 -0.000 0.000 0.289 177 L C -0.332 176.539 176.870 0.002 0.000 1.059 177 L CA -0.100 54.752 54.840 0.020 0.000 0.816 177 L CB 0.440 42.504 42.059 0.009 0.000 1.191 177 L HN 0.642 nan 8.230 nan 0.000 0.431 178 R N 4.290 124.779 120.500 -0.018 0.000 2.825 178 R HA 0.162 4.502 4.340 -0.000 0.000 0.261 178 R C -0.213 176.070 176.300 -0.028 0.000 1.341 178 R CA -0.232 55.856 56.100 -0.020 0.000 1.353 178 R CB 0.558 30.838 30.300 -0.033 0.000 1.191 178 R HN 0.560 nan 8.270 nan 0.000 0.590 179 E N 3.182 123.377 120.200 -0.009 0.000 2.152 179 E HA 0.081 4.431 4.350 -0.000 0.000 0.285 179 E C -0.444 176.165 176.600 0.014 0.000 1.043 179 E CA -0.832 55.568 56.400 -0.001 0.000 0.839 179 E CB 0.612 30.330 29.700 0.031 0.000 1.069 179 E HN 0.226 nan 8.360 nan 0.000 0.399 180 I N 7.633 128.207 120.570 0.007 0.000 2.587 180 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 180 I C -2.053 174.078 176.117 0.023 0.000 1.134 180 I CA -2.128 59.179 61.300 0.011 0.000 1.410 180 I CB 0.267 38.273 38.000 0.010 0.000 1.392 180 I HN 0.520 nan 8.210 nan 0.000 0.545 181 P HA 0.111 nan 4.420 nan 0.000 0.265 181 P C -0.344 176.949 177.300 -0.012 0.000 1.193 181 P CA -0.096 63.009 63.100 0.008 0.000 0.765 181 P CB 0.371 32.072 31.700 0.002 0.000 0.823 182 M N 3.611 123.196 119.600 -0.024 0.000 2.217 182 M HA 0.247 4.727 4.480 -0.000 0.000 0.354 182 M C 0.633 176.887 176.300 -0.076 0.000 1.225 182 M CA 0.747 56.002 55.300 -0.075 0.000 1.137 182 M CB 0.490 33.039 32.600 -0.084 0.000 1.576 182 M HN 0.280 nan 8.290 nan 0.000 0.461 183 R N 2.662 123.102 120.500 -0.100 0.000 2.668 183 R HA 0.422 4.762 4.340 -0.000 0.000 0.272 183 R C -2.724 173.525 176.300 -0.085 0.000 1.019 183 R CA -1.895 54.160 56.100 -0.074 0.000 0.894 183 R CB 1.923 32.195 30.300 -0.046 0.000 1.228 183 R HN 0.282 nan 8.270 nan 0.000 0.460 184 P HA 0.007 nan 4.420 nan 0.000 0.260 184 P C 0.419 177.693 177.300 -0.043 0.000 1.207 184 P CA 1.248 64.316 63.100 -0.054 0.000 0.780 184 P CB 0.471 32.148 31.700 -0.037 0.000 0.789 185 G N 3.052 111.824 108.800 -0.047 0.000 2.238 185 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 185 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 185 G C -0.172 174.710 174.900 -0.029 0.000 0.996 185 G CA 0.079 45.165 45.100 -0.024 0.000 0.632 185 G HN 0.647 nan 8.290 nan 0.000 0.503 186 Q N -0.144 119.613 119.800 -0.071 0.000 3.737 186 Q HA 0.546 4.886 4.340 -0.000 0.000 0.182 186 Q C 0.456 176.343 176.000 -0.189 0.000 0.855 186 Q CA -0.674 55.081 55.803 -0.081 0.000 0.781 186 Q CB -0.176 28.550 28.738 -0.020 0.000 1.464 186 Q HN 0.274 nan 8.270 nan 0.000 0.462 187 L N 0.556 121.519 121.223 -0.433 0.000 2.478 187 L HA 0.222 4.562 4.340 -0.000 0.000 0.223 187 L C -0.210 176.185 176.870 -0.791 0.000 1.140 187 L CA 0.811 55.227 54.840 -0.706 0.000 0.842 187 L CB -0.080 41.345 42.059 -1.057 0.000 0.953 187 L HN 0.368 nan 8.230 nan 0.000 0.452 188 F N -1.620 118.359 119.950 0.048 0.000 2.639 188 F HA 0.394 4.921 4.527 -0.000 0.000 0.339 188 F C 0.337 176.157 175.800 0.034 0.000 1.071 188 F CA -1.513 56.513 58.000 0.044 0.000 0.994 188 F CB 0.983 40.010 39.000 0.045 0.000 1.341 188 F HN -0.319 nan 8.300 nan 0.000 0.498 189 M N 3.588 123.328 119.600 0.233 0.000 2.292 189 M HA 0.167 4.647 4.480 -0.000 0.000 0.342 189 M C -0.792 175.577 176.300 0.114 0.000 1.538 189 M CA -0.145 55.224 55.300 0.116 0.000 1.163 189 M CB -0.307 32.330 32.600 0.061 0.000 1.823 189 M HN 0.662 nan 8.290 nan 0.000 0.462 190 D N 5.455 125.908 120.400 0.088 0.000 2.332 190 D HA 0.346 4.986 4.640 -0.000 0.000 0.252 190 D C -2.523 173.804 176.300 0.045 0.000 1.050 190 D CA -1.720 52.330 54.000 0.083 0.000 0.970 190 D CB 0.603 41.449 40.800 0.076 0.000 1.141 190 D HN 0.280 nan 8.370 nan 0.000 0.485 191 P HA -0.190 nan 4.420 nan 0.000 0.215 191 P C 1.497 178.797 177.300 -0.000 0.000 1.157 191 P CA 1.656 64.769 63.100 0.020 0.000 0.874 191 P CB 0.192 31.912 31.700 0.034 0.000 0.790 192 K N -0.038 120.369 120.400 0.012 0.000 1.985 192 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 192 K C 2.189 178.783 176.600 -0.011 0.000 1.047 192 K CA 1.570 57.860 56.287 0.005 0.000 0.932 192 K CB -0.213 32.296 32.500 0.016 0.000 0.716 192 K HN -0.097 nan 8.250 nan 0.000 0.439 193 R N 0.271 120.768 120.500 -0.004 0.000 2.120 193 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 193 R C 2.393 178.671 176.300 -0.037 0.000 1.123 193 R CA 1.582 57.675 56.100 -0.013 0.000 0.975 193 R CB -0.253 30.047 30.300 -0.001 0.000 0.866 193 R HN 0.395 nan 8.270 nan 0.000 0.446 194 M N 0.539 120.112 119.600 -0.045 0.000 2.067 194 M HA -0.184 4.295 4.480 -0.000 0.000 0.260 194 M C 1.706 177.917 176.300 -0.148 0.000 1.069 194 M CA 1.760 57.011 55.300 -0.082 0.000 1.117 194 M CB 0.030 32.587 32.600 -0.073 0.000 1.334 194 M HN 0.069 nan 8.290 nan 0.000 0.407 195 I N 0.876 121.348 120.570 -0.163 0.000 2.264 195 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 195 I C 2.119 178.111 176.117 -0.208 0.000 1.111 195 I CA 1.659 62.793 61.300 -0.277 0.000 1.382 195 I CB -1.488 36.408 38.000 -0.174 0.000 1.060 195 I HN 0.458 nan 8.210 nan 0.000 0.418 196 E N 0.558 120.701 120.200 -0.095 0.000 2.209 196 E HA -0.171 4.178 4.350 -0.000 0.000 0.196 196 E C 2.084 178.652 176.600 -0.054 0.000 0.993 196 E CA 1.267 57.640 56.400 -0.046 0.000 0.819 196 E CB -0.024 29.665 29.700 -0.019 0.000 0.745 196 E HN 0.492 nan 8.360 nan 0.000 0.477 197 A N -0.007 122.762 122.820 -0.085 0.000 2.195 197 A HA 0.047 4.367 4.320 -0.000 0.000 0.210 197 A C 0.912 178.439 177.584 -0.096 0.000 1.165 197 A CA -0.118 51.876 52.037 -0.072 0.000 0.806 197 A CB 0.147 19.108 19.000 -0.065 0.000 0.847 197 A HN 0.189 nan 8.150 nan 0.000 0.482 198 C N 1.512 120.701 119.300 -0.184 0.000 2.539 198 C HA 0.606 5.066 4.460 -0.000 0.000 0.392 198 C C 0.160 175.124 174.990 -0.043 0.000 1.269 198 C CA -0.161 58.728 59.018 -0.215 0.000 2.250 198 C CB 0.366 27.782 27.740 -0.541 0.000 2.584 198 C HN 0.778 nan 8.230 nan 0.000 0.589 199 D N 0.195 120.646 120.400 0.084 0.000 2.838 199 D HA 0.192 4.832 4.640 -0.000 0.000 0.334 199 D C 0.021 176.462 176.300 0.236 0.000 1.315 199 D CA -0.579 53.550 54.000 0.216 0.000 0.917 199 D CB 0.055 40.939 40.800 0.141 0.000 1.435 199 D HN 0.294 nan 8.370 nan 0.000 0.517 200 E N -0.561 119.775 120.200 0.226 0.000 2.338 200 E HA 0.014 4.364 4.350 -0.000 0.000 0.197 200 E C 0.769 177.601 176.600 0.387 0.000 1.007 200 E CA 0.854 57.411 56.400 0.262 0.000 0.849 200 E CB -0.335 29.482 29.700 0.195 0.000 0.774 200 E HN 0.316 nan 8.360 nan 0.000 0.506 201 N N 0.108 118.967 118.700 0.266 0.000 2.280 201 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 201 N C -0.363 175.000 175.510 -0.244 0.000 1.109 201 N CA 0.255 53.427 53.050 0.203 0.000 0.855 201 N CB 0.510 39.077 38.487 0.133 0.000 0.974 201 N HN 0.013 nan 8.380 nan 0.000 0.482 202 T N 2.308 116.803 114.554 -0.099 0.000 2.751 202 T HA 0.118 4.468 4.350 -0.000 0.000 0.290 202 T C 1.913 176.436 174.700 -0.296 0.000 0.919 202 T CA -0.231 61.758 62.100 -0.185 0.000 1.136 202 T CB 0.346 69.180 68.868 -0.058 0.000 0.875 202 T HN 0.245 nan 8.240 nan 0.000 0.532 203 I N 0.941 121.225 120.570 -0.477 0.000 2.830 203 I HA 0.379 4.549 4.170 -0.000 0.000 0.263 203 I C 0.945 177.056 176.117 -0.010 0.000 1.230 203 I CA 0.100 61.208 61.300 -0.321 0.000 1.480 203 I CB -0.133 37.729 38.000 -0.231 0.000 1.095 203 I HN 0.656 nan 8.210 nan 0.000 0.455 204 G N 0.119 108.892 108.800 -0.044 0.000 2.321 204 G HA2 0.382 4.342 3.960 -0.000 0.000 0.298 204 G HA3 0.382 4.342 3.960 -0.000 0.000 0.298 204 G C -1.680 173.177 174.900 -0.072 0.000 1.385 204 G CA -0.465 44.628 45.100 -0.010 0.000 0.856 204 G HN -0.057 nan 8.290 nan 0.000 0.584 205 V N -0.270 119.598 119.914 -0.077 0.000 2.513 205 V HA 0.671 4.791 4.120 -0.000 0.000 0.299 205 V C -0.135 175.856 176.094 -0.171 0.000 1.035 205 V CA -0.706 61.519 62.300 -0.125 0.000 0.889 205 V CB 1.799 33.562 31.823 -0.100 0.000 0.988 205 V HN 0.765 nan 8.190 nan 0.000 0.440 206 V N 6.629 126.381 119.914 -0.270 0.000 2.289 206 V HA 0.340 4.460 4.120 -0.000 0.000 0.272 206 V C -2.491 173.425 176.094 -0.296 0.000 1.026 206 V CA -1.635 60.438 62.300 -0.379 0.000 0.807 206 V CB 1.399 32.713 31.823 -0.848 0.000 1.044 206 V HN 0.745 nan 8.190 nan 0.000 0.443 207 P HA 0.296 nan 4.420 nan 0.000 0.279 207 P C -0.188 177.037 177.300 -0.125 0.000 1.239 207 P CA -0.051 62.974 63.100 -0.125 0.000 0.789 207 P CB 0.662 32.314 31.700 -0.080 0.000 0.933 208 T N 3.443 117.941 114.554 -0.093 0.000 2.832 208 T HA 0.248 4.598 4.350 -0.000 0.000 0.313 208 T C -0.274 174.387 174.700 -0.065 0.000 1.035 208 T CA -0.041 62.017 62.100 -0.069 0.000 0.950 208 T CB -0.613 68.223 68.868 -0.052 0.000 0.984 208 T HN 0.162 nan 8.240 nan 0.000 0.486 209 F N 3.740 123.535 119.950 -0.258 0.000 2.661 209 F HA 0.480 5.007 4.527 -0.000 0.000 0.356 209 F C 1.067 176.795 175.800 -0.121 0.000 1.244 209 F CA -0.557 57.225 58.000 -0.363 0.000 1.290 209 F CB -0.573 38.003 39.000 -0.706 0.000 1.677 209 F HN 0.780 nan 8.300 nan 0.000 0.649 210 G N 2.820 111.498 108.800 -0.203 0.000 2.403 210 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.393 210 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.393 210 G C -1.095 173.722 174.900 -0.139 0.000 1.106 210 G CA -0.811 44.167 45.100 -0.203 0.000 1.305 210 G HN 0.323 nan 8.290 nan 0.000 0.628 211 V N 2.081 121.892 119.914 -0.172 0.000 2.540 211 V HA 0.145 4.265 4.120 -0.000 0.000 0.297 211 V C 2.119 178.160 176.094 -0.089 0.000 1.024 211 V CA 1.147 63.390 62.300 -0.096 0.000 1.105 211 V CB 0.797 32.630 31.823 0.016 0.000 0.938 211 V HN 0.774 nan 8.190 nan 0.000 0.482 212 T N 4.086 118.460 114.554 -0.300 0.000 2.699 212 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 212 T C 1.419 176.000 174.700 -0.199 0.000 1.036 212 T CA 2.197 64.043 62.100 -0.422 0.000 1.147 212 T CB -0.357 68.008 68.868 -0.838 0.000 0.862 212 T HN 0.734 nan 8.240 nan 0.000 0.446 213 Y N 1.628 122.033 120.300 0.175 0.000 2.373 213 Y HA 0.039 4.588 4.550 -0.000 0.000 0.293 213 Y C 2.822 178.916 175.900 0.322 0.000 1.129 213 Y CA 0.910 59.166 58.100 0.261 0.000 1.226 213 Y CB -0.860 37.737 38.460 0.228 0.000 1.000 213 Y HN 0.433 nan 8.280 nan 0.000 0.549 214 T N -6.538 108.219 114.554 0.337 0.000 2.980 214 T HA 0.489 4.839 4.350 -0.000 0.000 0.252 214 T C 1.752 176.532 174.700 0.133 0.000 0.962 214 T CA 0.536 62.788 62.100 0.255 0.000 0.932 214 T CB 0.342 69.419 68.868 0.348 0.000 1.188 214 T HN 0.322 nan 8.240 nan 0.000 0.500 215 G N 1.642 110.483 108.800 0.067 0.000 2.195 215 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.224 215 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.224 215 G C -0.158 174.577 174.900 -0.275 0.000 0.990 215 G CA -0.171 44.893 45.100 -0.060 0.000 0.639 215 G HN 0.703 nan 8.290 nan 0.000 0.514 216 N N 0.069 118.594 118.700 -0.291 0.000 2.482 216 N HA 0.534 5.274 4.740 -0.000 0.000 0.260 216 N C -0.346 174.759 175.510 -0.676 0.000 1.236 216 N CA 0.020 52.755 53.050 -0.525 0.000 0.938 216 N CB 0.368 38.466 38.487 -0.647 0.000 1.128 216 N HN 0.191 nan 8.380 nan 0.000 0.448 217 Y N 0.367 120.202 120.300 -0.775 0.000 2.310 217 Y HA 0.236 4.786 4.550 -0.000 0.000 0.326 217 Y C 0.497 175.811 175.900 -0.976 0.000 1.151 217 Y CA -0.527 56.956 58.100 -1.028 0.000 1.195 217 Y CB 0.743 38.330 38.460 -1.455 0.000 1.210 217 Y HN 0.377 nan 8.280 nan 0.000 0.483 218 E N 2.969 122.881 120.200 -0.479 0.000 2.109 218 E HA 0.250 4.600 4.350 -0.000 0.000 0.278 218 E C -1.393 175.076 176.600 -0.217 0.000 0.954 218 E CA -0.563 55.663 56.400 -0.290 0.000 0.779 218 E CB 0.712 30.335 29.700 -0.128 0.000 1.093 218 E HN 0.345 nan 8.360 nan 0.000 0.401 219 F N 4.299 124.296 119.950 0.078 0.000 2.444 219 F HA 0.178 4.705 4.527 -0.000 0.000 0.360 219 F C -1.428 174.400 175.800 0.047 0.000 1.106 219 F CA -2.074 55.983 58.000 0.094 0.000 1.170 219 F CB 0.694 39.741 39.000 0.078 0.000 1.113 219 F HN 0.422 nan 8.300 nan 0.000 0.521 220 P HA -0.199 nan 4.420 nan 0.000 0.219 220 P C 1.617 178.972 177.300 0.091 0.000 1.150 220 P CA 0.923 64.064 63.100 0.068 0.000 0.814 220 P CB 0.200 31.885 31.700 -0.025 0.000 0.787 221 Q N 0.336 120.187 119.800 0.087 0.000 2.002 221 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 221 Q C -0.680 175.372 176.000 0.087 0.000 0.988 221 Q CA 2.883 58.711 55.803 0.042 0.000 0.843 221 Q CB -1.875 26.864 28.738 0.002 0.000 0.908 221 Q HN 0.181 nan 8.270 nan 0.000 0.420 222 P HA -0.140 nan 4.420 nan 0.000 0.216 222 P C 0.852 178.204 177.300 0.087 0.000 1.150 222 P CA 1.245 64.393 63.100 0.080 0.000 0.837 222 P CB -0.066 31.684 31.700 0.083 0.000 0.786 223 L N -1.831 119.449 121.223 0.094 0.000 2.093 223 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 223 L C 2.727 179.640 176.870 0.070 0.000 1.085 223 L CA 1.282 56.160 54.840 0.063 0.000 0.755 223 L CB -1.181 40.906 42.059 0.046 0.000 0.904 223 L HN 0.158 nan 8.230 nan 0.000 0.435 224 H N 0.681 119.752 119.070 0.002 0.000 2.353 224 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 224 H C 1.577 176.913 175.328 0.014 0.000 1.090 224 H CA 1.841 57.889 56.048 -0.001 0.000 1.327 224 H CB 0.214 29.965 29.762 -0.018 0.000 1.383 224 H HN 0.329 nan 8.280 nan 0.000 0.508 225 D N 0.508 121.015 120.400 0.178 0.000 2.117 225 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 225 D C 2.271 178.608 176.300 0.062 0.000 0.987 225 D CA 1.266 55.337 54.000 0.118 0.000 0.829 225 D CB -0.505 40.348 40.800 0.089 0.000 0.961 225 D HN 0.453 nan 8.370 nan 0.000 0.460 226 A N 0.630 123.480 122.820 0.050 0.000 1.933 226 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 226 A C 2.356 179.972 177.584 0.053 0.000 1.175 226 A CA 0.870 52.934 52.037 0.044 0.000 0.628 226 A CB -0.707 18.305 19.000 0.019 0.000 0.814 226 A HN 0.215 nan 8.150 nan 0.000 0.444 227 L N -0.743 120.482 121.223 0.003 0.000 2.217 227 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 227 L C 1.861 178.757 176.870 0.043 0.000 1.107 227 L CA 1.000 55.850 54.840 0.017 0.000 0.783 227 L CB -0.477 41.531 42.059 -0.086 0.000 0.919 227 L HN 0.321 nan 8.230 nan 0.000 0.442 228 D N 0.174 120.562 120.400 -0.020 0.000 2.117 228 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 228 D C 2.078 178.406 176.300 0.047 0.000 0.982 228 D CA 1.089 55.088 54.000 -0.002 0.000 0.828 228 D CB 0.069 40.877 40.800 0.013 0.000 0.967 228 D HN 0.208 nan 8.370 nan 0.000 0.464 229 K N -0.234 120.209 120.400 0.072 0.000 2.097 229 K HA -0.145 4.174 4.320 -0.000 0.000 0.205 229 K C 2.097 178.764 176.600 0.112 0.000 1.050 229 K CA 0.554 56.888 56.287 0.078 0.000 0.938 229 K CB -0.188 32.361 32.500 0.082 0.000 0.718 229 K HN -0.024 nan 8.250 nan 0.000 0.442 230 F N 2.255 122.199 119.950 -0.010 0.000 2.102 230 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 230 F C 2.501 178.300 175.800 -0.002 0.000 1.105 230 F CA 1.810 59.807 58.000 -0.004 0.000 1.239 230 F CB -0.405 38.591 39.000 -0.007 0.000 0.991 230 F HN 0.150 nan 8.300 nan 0.000 0.474 231 Q N -0.162 119.650 119.800 0.020 0.000 2.124 231 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 231 Q C 2.242 178.184 176.000 -0.098 0.000 0.977 231 Q CA 1.404 57.165 55.803 -0.069 0.000 0.850 231 Q CB -0.295 28.447 28.738 0.006 0.000 0.901 231 Q HN 0.481 nan 8.270 nan 0.000 0.429 232 A N 0.941 123.729 122.820 -0.053 0.000 1.898 232 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 232 A C 1.512 179.051 177.584 -0.075 0.000 1.181 232 A CA 1.729 53.739 52.037 -0.045 0.000 0.620 232 A CB -0.321 18.671 19.000 -0.013 0.000 0.819 232 A HN 0.436 nan 8.150 nan 0.000 0.442 233 D N -1.249 119.087 120.400 -0.106 0.000 2.289 233 D HA -0.033 4.607 4.640 -0.000 0.000 0.207 233 D C 1.806 177.991 176.300 -0.193 0.000 0.966 233 D CA 1.801 55.730 54.000 -0.119 0.000 0.868 233 D CB -0.032 40.721 40.800 -0.079 0.000 0.943 233 D HN 0.642 nan 8.370 nan 0.000 0.514 234 T N -4.746 109.613 114.554 -0.324 0.000 2.969 234 T HA 0.377 4.727 4.350 -0.000 0.000 0.258 234 T C 1.678 176.233 174.700 -0.242 0.000 0.962 234 T CA 0.781 62.673 62.100 -0.346 0.000 0.903 234 T CB 1.045 69.519 68.868 -0.658 0.000 1.177 234 T HN 0.133 nan 8.240 nan 0.000 0.511 235 G N 1.886 110.560 108.800 -0.209 0.000 2.225 235 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.254 235 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.254 235 G C 0.062 174.909 174.900 -0.088 0.000 0.988 235 G CA 0.067 45.099 45.100 -0.114 0.000 0.625 235 G HN 0.683 nan 8.290 nan 0.000 0.527 236 I N 1.955 122.437 120.570 -0.147 0.000 2.505 236 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 236 I C -0.126 176.042 176.117 0.086 0.000 1.104 236 I CA -0.185 61.113 61.300 -0.005 0.000 1.387 236 I CB 0.799 38.830 38.000 0.052 0.000 1.404 236 I HN 0.016 nan 8.210 nan 0.000 0.528 237 D N 8.639 129.102 120.400 0.105 0.000 2.396 237 D HA 0.406 5.046 4.640 -0.000 0.000 0.225 237 D C -0.467 175.920 176.300 0.145 0.000 1.121 237 D CA -0.223 53.842 54.000 0.108 0.000 0.853 237 D CB 0.601 41.444 40.800 0.072 0.000 1.043 237 D HN 0.277 nan 8.370 nan 0.000 0.500 238 I N 3.134 123.792 120.570 0.145 0.000 2.377 238 I HA 0.263 4.433 4.170 -0.000 0.000 0.293 238 I C 0.376 176.533 176.117 0.065 0.000 0.987 238 I CA -0.874 60.499 61.300 0.121 0.000 1.185 238 I CB 1.629 39.690 38.000 0.102 0.000 1.341 238 I HN 0.166 nan 8.210 nan 0.000 0.455 239 D N 6.105 126.555 120.400 0.084 0.000 2.478 239 D HA 0.646 5.286 4.640 -0.000 0.000 0.263 239 D C -0.354 175.976 176.300 0.050 0.000 1.153 239 D CA -0.314 53.730 54.000 0.074 0.000 1.038 239 D CB 1.590 42.465 40.800 0.124 0.000 1.120 239 D HN 0.305 nan 8.370 nan 0.000 0.564 240 M N -0.253 119.378 119.600 0.052 0.000 2.591 240 M HA 0.343 4.823 4.480 -0.000 0.000 0.306 240 M C -0.964 175.356 176.300 0.033 0.000 1.190 240 M CA -0.806 54.502 55.300 0.013 0.000 0.889 240 M CB 2.701 35.286 32.600 -0.024 0.000 1.728 240 M HN 0.304 nan 8.290 nan 0.000 0.458 241 H N 1.625 120.639 119.070 -0.093 0.000 2.609 241 H HA 0.553 5.109 4.556 -0.000 0.000 0.344 241 H C -1.690 173.545 175.328 -0.155 0.000 1.040 241 H CA -0.642 55.349 56.048 -0.095 0.000 1.216 241 H CB 1.102 30.836 29.762 -0.047 0.000 1.529 241 H HN 0.542 nan 8.280 nan 0.000 0.519 242 I N 4.229 124.375 120.570 -0.706 0.000 2.315 242 I HA 0.097 4.266 4.170 -0.000 0.000 0.291 242 I C 0.227 176.101 176.117 -0.406 0.000 1.006 242 I CA -0.459 60.568 61.300 -0.454 0.000 1.265 242 I CB 0.930 38.703 38.000 -0.377 0.000 1.387 242 I HN 0.733 nan 8.210 nan 0.000 0.475 243 D N 6.656 126.994 120.400 -0.103 0.000 2.453 243 D HA 0.319 4.959 4.640 -0.000 0.000 0.223 243 D C 0.343 176.642 176.300 -0.002 0.000 1.183 243 D CA -0.166 53.899 54.000 0.109 0.000 0.933 243 D CB 0.818 41.774 40.800 0.261 0.000 1.038 243 D HN 0.614 nan 8.370 nan 0.000 0.513 244 A N 3.302 126.073 122.820 -0.082 0.000 3.003 244 A HA 0.513 4.833 4.320 -0.000 0.000 0.301 244 A C 1.765 179.364 177.584 0.025 0.000 1.280 244 A CA 0.258 52.221 52.037 -0.123 0.000 0.973 244 A CB -0.081 18.660 19.000 -0.432 0.000 1.110 244 A HN 0.540 nan 8.150 nan 0.000 0.590 245 A N 0.726 123.604 122.820 0.096 0.000 1.929 245 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 245 A C 2.458 180.209 177.584 0.278 0.000 1.211 245 A CA 2.913 55.052 52.037 0.169 0.000 0.657 245 A CB -0.617 18.438 19.000 0.091 0.000 0.827 245 A HN 1.236 nan 8.150 nan 0.000 0.462 246 S N -2.401 113.448 115.700 0.249 0.000 2.591 246 S HA 0.276 4.746 4.470 -0.000 0.000 0.235 246 S C 2.091 176.869 174.600 0.297 0.000 1.074 246 S CA 0.946 59.403 58.200 0.429 0.000 0.925 246 S CB -0.965 62.526 63.200 0.486 0.000 0.818 246 S HN 0.771 nan 8.310 nan 0.000 0.535 247 G N 1.531 110.390 108.800 0.099 0.000 2.448 247 G HA2 0.081 4.041 3.960 -0.000 0.000 0.219 247 G HA3 0.081 4.041 3.960 -0.000 0.000 0.219 247 G C 1.386 176.267 174.900 -0.031 0.000 1.127 247 G CA 0.652 45.758 45.100 0.010 0.000 0.766 247 G HN 0.674 nan 8.290 nan 0.000 0.552 248 G N -0.043 108.708 108.800 -0.082 0.000 2.479 248 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.220 248 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.220 248 G C 0.900 175.857 174.900 0.095 0.000 1.115 248 G CA 0.329 45.368 45.100 -0.102 0.000 0.757 248 G HN 0.375 nan 8.290 nan 0.000 0.560 249 F N -0.557 119.674 119.950 0.469 0.000 2.735 249 F HA 0.508 5.035 4.527 -0.000 0.000 0.304 249 F C 1.353 177.518 175.800 0.607 0.000 1.119 249 F CA -0.392 57.943 58.000 0.558 0.000 1.280 249 F CB 0.501 39.876 39.000 0.625 0.000 0.994 249 F HN -0.018 nan 8.300 nan 0.000 0.520 250 L N -1.372 120.153 121.223 0.503 0.000 2.738 250 L HA 0.314 4.654 4.340 -0.000 0.000 0.175 250 L C 2.425 179.527 176.870 0.386 0.000 1.125 250 L CA 0.785 55.905 54.840 0.466 0.000 0.857 250 L CB -0.890 41.318 42.059 0.249 0.000 1.300 250 L HN -0.031 nan 8.230 nan 0.000 0.499 251 A N 0.894 123.870 122.820 0.261 0.000 1.948 251 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 251 A C -0.482 177.211 177.584 0.182 0.000 1.177 251 A CA 1.957 54.125 52.037 0.219 0.000 0.636 251 A CB -1.838 17.240 19.000 0.129 0.000 0.815 251 A HN 0.270 nan 8.150 nan 0.000 0.449 252 P HA -0.094 nan 4.420 nan 0.000 0.221 252 P C 0.637 177.767 177.300 -0.284 0.000 1.145 252 P CA 1.000 64.002 63.100 -0.163 0.000 0.795 252 P CB -0.068 31.368 31.700 -0.440 0.000 0.775 253 F N -1.626 118.452 119.950 0.213 0.000 2.419 253 F HA 0.031 4.558 4.527 -0.000 0.000 0.283 253 F C 2.044 177.940 175.800 0.160 0.000 1.044 253 F CA 0.570 58.681 58.000 0.185 0.000 1.376 253 F CB -1.243 37.901 39.000 0.241 0.000 1.131 253 F HN -0.279 nan 8.300 nan 0.000 0.585 254 V N -2.788 117.330 119.914 0.340 0.000 3.660 254 V HA 0.624 4.744 4.120 -0.000 0.000 0.276 254 V C 0.662 176.814 176.094 0.096 0.000 1.317 254 V CA 0.519 62.930 62.300 0.185 0.000 1.097 254 V CB -0.384 31.512 31.823 0.121 0.000 0.863 254 V HN 0.165 nan 8.190 nan 0.000 0.438 255 A N 0.402 123.302 122.820 0.132 0.000 3.474 255 A HA 0.672 4.992 4.320 -0.000 0.000 0.251 255 A C -1.727 175.944 177.584 0.145 0.000 1.062 255 A CA -0.543 51.564 52.037 0.118 0.000 0.945 255 A CB 0.381 19.462 19.000 0.136 0.000 1.296 255 A HN 0.318 nan 8.150 nan 0.000 0.592 256 P HA -0.142 nan 4.420 nan 0.000 0.219 256 P C 0.597 177.951 177.300 0.091 0.000 1.146 256 P CA 1.278 64.449 63.100 0.118 0.000 0.808 256 P CB 0.269 32.025 31.700 0.095 0.000 0.779 257 D N -0.723 119.718 120.400 0.068 0.000 2.312 257 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 257 D C 0.901 177.223 176.300 0.038 0.000 0.964 257 D CA 0.450 54.468 54.000 0.030 0.000 0.877 257 D CB -0.277 40.533 40.800 0.016 0.000 0.924 257 D HN 0.258 nan 8.370 nan 0.000 0.515 258 I N 1.716 122.355 120.570 0.114 0.000 2.517 258 I HA -0.042 4.128 4.170 -0.000 0.000 0.285 258 I C 0.127 176.326 176.117 0.135 0.000 1.106 258 I CA -0.184 61.218 61.300 0.170 0.000 1.402 258 I CB 1.044 39.234 38.000 0.317 0.000 1.399 258 I HN -0.344 nan 8.210 nan 0.000 0.535 259 V N 8.169 128.095 119.914 0.020 0.000 2.339 259 V HA 0.095 4.215 4.120 -0.000 0.000 0.261 259 V C 0.505 176.515 176.094 -0.139 0.000 1.058 259 V CA -0.080 62.136 62.300 -0.141 0.000 0.897 259 V CB 0.066 31.785 31.823 -0.174 0.000 1.052 259 V HN 0.945 nan 8.190 nan 0.000 0.480 260 W N 3.500 124.547 121.300 -0.422 0.000 2.413 260 W HA 0.236 4.896 4.660 -0.000 0.000 0.288 260 W C 0.005 176.130 176.519 -0.656 0.000 0.958 260 W CA 0.192 57.173 57.345 -0.606 0.000 1.333 260 W CB -0.152 28.627 29.460 -1.135 0.000 1.002 260 W HN 0.625 nan 8.180 nan 0.000 0.562 261 D N 0.982 120.419 120.400 -1.604 0.000 2.358 261 D HA 0.156 4.796 4.640 -0.000 0.000 0.287 261 D C 0.888 176.678 176.300 -0.850 0.000 1.181 261 D CA -0.283 52.744 54.000 -1.622 0.000 1.103 261 D CB -0.546 39.182 40.800 -1.787 0.000 1.168 261 D HN -0.238 nan 8.370 nan 0.000 0.552 262 F N -0.517 119.147 119.950 -0.477 0.000 2.641 262 F HA 0.151 4.677 4.527 -0.000 0.000 0.298 262 F C 2.273 177.935 175.800 -0.229 0.000 1.146 262 F CA 0.330 58.178 58.000 -0.254 0.000 1.464 262 F CB -0.496 38.427 39.000 -0.128 0.000 1.101 262 F HN 0.043 nan 8.300 nan 0.000 0.585 263 R N -0.112 120.276 120.500 -0.187 0.000 2.189 263 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 263 R C 0.360 176.526 176.300 -0.222 0.000 1.092 263 R CA 0.515 56.475 56.100 -0.232 0.000 0.989 263 R CB -0.216 29.851 30.300 -0.389 0.000 0.876 263 R HN 0.212 nan 8.270 nan 0.000 0.457 264 L N 1.534 122.597 121.223 -0.268 0.000 2.278 264 L HA 0.180 4.520 4.340 -0.000 0.000 0.287 264 L C -1.666 175.164 176.870 -0.067 0.000 1.072 264 L CA -1.949 52.684 54.840 -0.345 0.000 0.819 264 L CB 1.215 43.009 42.059 -0.441 0.000 1.176 264 L HN -0.181 nan 8.230 nan 0.000 0.435 265 P HA -0.191 nan 4.420 nan 0.000 0.216 265 P C 1.202 178.636 177.300 0.224 0.000 1.154 265 P CA 1.556 64.759 63.100 0.172 0.000 0.865 265 P CB 0.136 31.951 31.700 0.191 0.000 0.789 266 R N -1.091 119.626 120.500 0.362 0.000 2.235 266 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 266 R C 0.234 176.622 176.300 0.145 0.000 1.059 266 R CA 0.232 56.435 56.100 0.171 0.000 0.997 266 R CB -0.519 29.775 30.300 -0.011 0.000 0.884 266 R HN 0.085 nan 8.270 nan 0.000 0.462 267 V N 2.550 122.542 119.914 0.131 0.000 2.390 267 V HA -0.026 4.094 4.120 -0.000 0.000 0.260 267 V C 0.777 176.988 176.094 0.194 0.000 1.043 267 V CA 0.612 62.933 62.300 0.035 0.000 1.047 267 V CB 0.962 32.674 31.823 -0.185 0.000 1.066 267 V HN 0.061 nan 8.190 nan 0.000 0.481 268 K N 2.662 123.186 120.400 0.208 0.000 2.323 268 K HA 0.141 4.461 4.320 -0.000 0.000 0.197 268 K C 0.694 177.553 176.600 0.431 0.000 1.043 268 K CA 0.508 56.991 56.287 0.327 0.000 0.997 268 K CB 0.336 33.016 32.500 0.299 0.000 0.807 268 K HN 0.824 nan 8.250 nan 0.000 0.497 269 S N -1.051 114.793 115.700 0.240 0.000 2.565 269 S HA 0.664 5.134 4.470 -0.000 0.000 0.269 269 S C -0.807 173.570 174.600 -0.372 0.000 1.153 269 S CA -1.073 57.160 58.200 0.054 0.000 0.835 269 S CB 1.490 64.613 63.200 -0.127 0.000 1.122 269 S HN -0.042 nan 8.310 nan 0.000 0.462 270 I N 1.719 122.054 120.570 -0.390 0.000 2.686 270 I HA 0.623 4.793 4.170 -0.000 0.000 0.295 270 I C -0.558 175.434 176.117 -0.207 0.000 1.114 270 I CA -0.632 60.286 61.300 -0.636 0.000 1.038 270 I CB 2.674 40.092 38.000 -0.970 0.000 1.238 270 I HN 0.948 nan 8.210 nan 0.000 0.420 271 S N 3.701 119.298 115.700 -0.171 0.000 2.568 271 S HA 0.993 5.462 4.470 -0.000 0.000 0.293 271 S C -0.804 173.909 174.600 0.189 0.000 1.089 271 S CA -0.656 57.652 58.200 0.180 0.000 0.945 271 S CB 2.635 66.007 63.200 0.287 0.000 1.077 271 S HN 0.967 nan 8.310 nan 0.000 0.485 272 A N 1.058 124.125 122.820 0.411 0.000 2.610 272 A HA 0.798 5.118 4.320 -0.000 0.000 0.291 272 A C -0.813 177.067 177.584 0.494 0.000 1.086 272 A CA -0.855 51.449 52.037 0.444 0.000 0.677 272 A CB 1.203 20.541 19.000 0.562 0.000 1.278 272 A HN 0.868 nan 8.150 nan 0.000 0.414 273 S N 0.279 116.255 115.700 0.461 0.000 2.429 273 S HA 0.471 4.941 4.470 -0.000 0.000 0.302 273 S C 1.312 176.136 174.600 0.373 0.000 1.115 273 S CA 0.071 58.407 58.200 0.226 0.000 1.095 273 S CB 1.442 64.704 63.200 0.102 0.000 0.987 273 S HN 1.279 nan 8.310 nan 0.000 0.474 274 G N 1.899 110.810 108.800 0.185 0.000 2.403 274 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 274 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 274 G C 0.985 175.925 174.900 0.067 0.000 1.154 274 G CA 0.271 45.478 45.100 0.178 0.000 0.784 274 G HN 0.939 nan 8.290 nan 0.000 0.538 275 H N -0.450 118.676 119.070 0.093 0.000 2.556 275 H HA 0.349 4.905 4.556 -0.000 0.000 0.273 275 H C 1.204 176.561 175.328 0.047 0.000 1.030 275 H CA 0.188 56.262 56.048 0.044 0.000 1.156 275 H CB 0.218 29.984 29.762 0.007 0.000 1.326 275 H HN 0.249 nan 8.280 nan 0.000 0.609 276 K N 0.307 120.873 120.400 0.277 0.000 4.324 276 K HA 0.181 4.501 4.320 -0.000 0.000 0.228 276 K C 0.593 177.210 176.600 0.028 0.000 1.063 276 K CA -0.679 55.710 56.287 0.169 0.000 1.901 276 K CB 0.113 32.812 32.500 0.332 0.000 2.896 276 K HN -0.005 nan 8.250 nan 0.000 0.708 277 F N 1.460 121.611 119.950 0.335 0.000 2.771 277 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 277 F C 1.837 177.834 175.800 0.327 0.000 1.177 277 F CA 0.632 58.828 58.000 0.327 0.000 1.450 277 F CB -0.360 38.864 39.000 0.374 0.000 1.114 277 F HN 0.515 nan 8.300 nan 0.000 0.587 278 G N -0.564 108.366 108.800 0.217 0.000 2.598 278 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.215 278 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.215 278 G C 1.187 176.114 174.900 0.046 0.000 1.131 278 G CA 0.423 45.295 45.100 -0.379 0.000 0.785 278 G HN 0.464 nan 8.290 nan 0.000 0.539 279 L N -2.295 118.986 121.223 0.098 0.000 4.937 279 L HA -0.193 4.147 4.340 -0.000 0.000 0.422 279 L C 1.307 178.221 176.870 0.075 0.000 1.059 279 L CA -0.039 54.846 54.840 0.074 0.000 1.111 279 L CB -2.239 39.834 42.059 0.025 0.000 2.033 279 L HN 0.396 nan 8.230 nan 0.000 0.708 280 A N -0.211 122.649 122.820 0.067 0.000 2.287 280 A HA 0.699 5.019 4.320 -0.000 0.000 0.273 280 A C -2.075 175.559 177.584 0.083 0.000 1.091 280 A CA -0.895 51.181 52.037 0.066 0.000 0.817 280 A CB 0.142 19.175 19.000 0.055 0.000 1.069 280 A HN 0.001 nan 8.150 nan 0.000 0.492 281 P HA 0.241 nan 4.420 nan 0.000 0.274 281 P C -0.393 176.940 177.300 0.054 0.000 1.237 281 P CA -0.371 62.739 63.100 0.016 0.000 0.793 281 P CB 0.311 31.984 31.700 -0.045 0.000 0.977 282 L N 1.479 122.704 121.223 0.004 0.000 2.653 282 L HA 0.054 4.394 4.340 -0.000 0.000 0.288 282 L C 1.454 178.352 176.870 0.047 0.000 1.243 282 L CA 1.444 56.259 54.840 -0.042 0.000 0.906 282 L CB -1.030 40.948 42.059 -0.135 0.000 1.154 282 L HN 0.861 nan 8.230 nan 0.000 0.498 283 G N 2.126 111.073 108.800 0.245 0.000 2.173 283 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.174 283 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.174 283 G C -0.456 174.424 174.900 -0.034 0.000 1.025 283 G CA -0.306 44.847 45.100 0.089 0.000 0.706 283 G HN 0.749 nan 8.290 nan 0.000 0.499 284 C N 0.546 119.818 119.300 -0.048 0.000 2.516 284 C HA 0.908 5.368 4.460 -0.000 0.000 0.338 284 C C 0.634 175.274 174.990 -0.582 0.000 1.132 284 C CA 0.658 59.455 59.018 -0.370 0.000 1.310 284 C CB 0.664 28.258 27.740 -0.243 0.000 1.898 284 C HN 1.416 nan 8.230 nan 0.000 0.452 285 G N 3.291 111.674 108.800 -0.694 0.000 2.680 285 G HA2 0.835 4.795 3.960 -0.000 0.000 0.290 285 G HA3 0.835 4.795 3.960 -0.000 0.000 0.290 285 G C -2.131 172.337 174.900 -0.719 0.000 1.355 285 G CA -0.574 44.218 45.100 -0.512 0.000 0.903 285 G HN 0.741 nan 8.290 nan 0.000 0.474 286 W N -0.790 120.599 121.300 0.148 0.000 3.256 286 W HA 0.573 5.232 4.660 -0.000 0.000 0.324 286 W C -0.985 175.655 176.519 0.202 0.000 1.196 286 W CA -0.895 56.562 57.345 0.187 0.000 1.206 286 W CB 2.463 32.071 29.460 0.245 0.000 1.385 286 W HN 0.427 nan 8.180 nan 0.000 0.522 287 V N 5.630 125.774 119.914 0.384 0.000 2.623 287 V HA 0.652 4.772 4.120 -0.000 0.000 0.304 287 V C -1.370 174.776 176.094 0.087 0.000 1.054 287 V CA -0.784 61.606 62.300 0.151 0.000 0.882 287 V CB 1.175 32.943 31.823 -0.092 0.000 1.002 287 V HN 0.448 nan 8.190 nan 0.000 0.424 288 I N 6.120 126.751 120.570 0.102 0.000 2.569 288 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 288 I C -0.578 175.594 176.117 0.092 0.000 1.028 288 I CA -0.577 60.860 61.300 0.228 0.000 1.082 288 I CB 2.089 40.387 38.000 0.497 0.000 1.264 288 I HN 0.606 nan 8.210 nan 0.000 0.429 289 W N 4.357 125.845 121.300 0.314 0.000 2.627 289 W HA 0.393 5.053 4.660 -0.000 0.000 0.339 289 W C 1.416 177.870 176.519 -0.108 0.000 1.058 289 W CA -0.597 56.882 57.345 0.224 0.000 1.223 289 W CB 1.911 31.473 29.460 0.169 0.000 1.389 289 W HN 0.663 nan 8.180 nan 0.000 0.541 290 R N 0.736 121.232 120.500 -0.008 0.000 2.096 290 R HA -0.215 4.125 4.340 -0.000 0.000 0.240 290 R C -0.228 175.949 176.300 -0.205 0.000 1.139 290 R CA 2.544 58.394 56.100 -0.418 0.000 0.952 290 R CB 0.029 30.286 30.300 -0.072 0.000 0.854 290 R HN 0.657 nan 8.270 nan 0.000 0.436 291 D N -3.664 116.739 120.400 0.004 0.000 2.792 291 D HA 0.034 4.674 4.640 -0.000 0.000 0.335 291 D C 0.015 176.344 176.300 0.049 0.000 1.353 291 D CA -0.701 53.305 54.000 0.010 0.000 0.839 291 D CB 0.092 40.883 40.800 -0.015 0.000 1.396 291 D HN -0.205 nan 8.370 nan 0.000 0.479 292 E N 0.283 120.492 120.200 0.015 0.000 2.097 292 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 292 E C 1.389 177.975 176.600 -0.022 0.000 1.000 292 E CA 1.568 57.961 56.400 -0.013 0.000 0.804 292 E CB -0.168 29.521 29.700 -0.018 0.000 0.740 292 E HN 0.623 nan 8.360 nan 0.000 0.454 293 E N 0.766 120.968 120.200 0.004 0.000 2.160 293 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 293 E C 1.931 178.552 176.600 0.036 0.000 0.991 293 E CA 1.012 57.421 56.400 0.014 0.000 0.810 293 E CB -0.137 29.581 29.700 0.030 0.000 0.742 293 E HN 0.226 nan 8.360 nan 0.000 0.466 294 A N 0.755 123.621 122.820 0.077 0.000 2.119 294 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 294 A C 1.044 178.658 177.584 0.050 0.000 1.153 294 A CA 0.363 52.501 52.037 0.169 0.000 0.692 294 A CB 0.046 19.246 19.000 0.333 0.000 0.799 294 A HN 0.166 nan 8.150 nan 0.000 0.458 295 L N 0.733 121.849 121.223 -0.179 0.000 2.324 295 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 295 L C -2.905 173.757 176.870 -0.346 0.000 1.012 295 L CA -2.557 51.977 54.840 -0.510 0.000 0.859 295 L CB 1.240 42.794 42.059 -0.841 0.000 1.224 295 L HN -0.167 nan 8.230 nan 0.000 0.429 296 P HA 0.045 nan 4.420 nan 0.000 0.258 296 P C 0.139 177.265 177.300 -0.290 0.000 1.187 296 P CA 0.059 63.056 63.100 -0.172 0.000 0.767 296 P CB 0.502 32.182 31.700 -0.033 0.000 0.770 297 Q N 2.379 122.058 119.800 -0.201 0.000 2.297 297 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 297 Q C 1.148 176.996 176.000 -0.253 0.000 0.981 297 Q CA 1.544 57.215 55.803 -0.221 0.000 0.876 297 Q CB -0.118 28.535 28.738 -0.141 0.000 0.921 297 Q HN 0.580 nan 8.270 nan 0.000 0.446 298 E N -0.015 120.068 120.200 -0.195 0.000 2.333 298 E HA -0.096 4.254 4.350 -0.000 0.000 0.198 298 E C 1.641 178.034 176.600 -0.344 0.000 1.007 298 E CA 0.544 56.840 56.400 -0.173 0.000 0.845 298 E CB -0.048 29.697 29.700 0.076 0.000 0.766 298 E HN 0.297 nan 8.360 nan 0.000 0.507 299 L N 0.044 120.945 121.223 -0.537 0.000 2.446 299 L HA 0.092 4.432 4.340 -0.000 0.000 0.219 299 L C 0.223 176.811 176.870 -0.469 0.000 1.116 299 L CA -0.129 54.292 54.840 -0.698 0.000 0.844 299 L CB 0.350 41.593 42.059 -1.359 0.000 0.970 299 L HN -0.052 nan 8.230 nan 0.000 0.457 300 V N 0.177 119.841 119.914 -0.417 0.000 2.546 300 V HA 0.193 4.313 4.120 -0.000 0.000 0.284 300 V C -0.399 175.602 176.094 -0.155 0.000 1.050 300 V CA -0.271 61.940 62.300 -0.149 0.000 0.981 300 V CB 1.171 32.901 31.823 -0.155 0.000 0.990 300 V HN -0.088 nan 8.190 nan 0.000 0.474 301 F N 3.141 123.123 119.950 0.052 0.000 2.458 301 F HA 0.491 5.018 4.527 -0.000 0.000 0.336 301 F C 0.539 176.380 175.800 0.068 0.000 1.114 301 F CA -0.714 57.324 58.000 0.063 0.000 0.987 301 F CB 1.487 40.550 39.000 0.104 0.000 1.130 301 F HN 0.413 nan 8.300 nan 0.000 0.458 302 N N 3.337 122.128 118.700 0.152 0.000 2.425 302 N HA 0.447 5.187 4.740 -0.000 0.000 0.268 302 N C -0.904 174.659 175.510 0.088 0.000 0.991 302 N CA -0.289 52.825 53.050 0.107 0.000 0.931 302 N CB 2.108 40.621 38.487 0.044 0.000 1.130 302 N HN 0.360 nan 8.380 nan 0.000 0.493 303 V N -0.946 118.987 119.914 0.032 0.000 2.732 303 V HA 0.481 4.601 4.120 -0.000 0.000 0.310 303 V C 0.131 176.054 176.094 -0.285 0.000 1.053 303 V CA -1.024 61.204 62.300 -0.119 0.000 0.957 303 V CB 2.011 33.721 31.823 -0.189 0.000 1.018 303 V HN 0.356 nan 8.190 nan 0.000 0.452 304 D N 1.662 121.903 120.400 -0.266 0.000 2.308 304 D HA 0.466 5.106 4.640 -0.000 0.000 0.251 304 D C -0.984 175.093 176.300 -0.372 0.000 1.127 304 D CA 0.578 54.451 54.000 -0.211 0.000 0.876 304 D CB 1.170 41.916 40.800 -0.091 0.000 1.176 304 D HN 0.626 nan 8.370 nan 0.000 0.446 305 Y N 0.595 120.906 120.300 0.018 0.000 2.602 305 Y HA 0.149 4.699 4.550 -0.000 0.000 0.342 305 Y C 0.863 176.763 175.900 0.000 0.000 1.029 305 Y CA -0.934 57.169 58.100 0.005 0.000 1.080 305 Y CB 0.972 39.427 38.460 -0.008 0.000 1.284 305 Y HN 0.115 nan 8.280 nan 0.000 0.485 306 L N 1.157 122.487 121.223 0.178 0.000 2.201 306 L HA 0.041 4.380 4.340 -0.000 0.000 0.212 306 L C 1.888 178.802 176.870 0.072 0.000 1.105 306 L CA 2.025 56.917 54.840 0.087 0.000 0.775 306 L CB -0.837 41.255 42.059 0.056 0.000 0.913 306 L HN 0.926 nan 8.230 nan 0.000 0.440 307 G N -2.287 106.565 108.800 0.087 0.000 3.141 307 G HA2 0.454 4.414 3.960 -0.000 0.000 0.218 307 G HA3 0.454 4.414 3.960 -0.000 0.000 0.218 307 G C 0.797 175.736 174.900 0.064 0.000 1.170 307 G CA 0.509 45.637 45.100 0.048 0.000 0.769 307 G HN 0.691 nan 8.290 nan 0.000 0.546 308 G N -0.279 108.582 108.800 0.102 0.000 2.055 308 G HA2 0.171 4.131 3.960 -0.000 0.000 0.160 308 G HA3 0.171 4.131 3.960 -0.000 0.000 0.160 308 G C -0.693 174.288 174.900 0.135 0.000 1.087 308 G CA 0.039 45.194 45.100 0.091 0.000 1.269 308 G HN 1.178 nan 8.290 nan 0.000 0.461 309 Q N -0.438 119.460 119.800 0.162 0.000 2.403 309 Q HA 0.692 5.032 4.340 -0.000 0.000 0.267 309 Q C -1.782 174.355 176.000 0.228 0.000 0.991 309 Q CA -0.955 54.965 55.803 0.195 0.000 0.906 309 Q CB 1.817 30.602 28.738 0.077 0.000 1.422 309 Q HN 0.785 nan 8.270 nan 0.000 0.400 310 I N 1.617 122.400 120.570 0.354 0.000 2.498 310 I HA 0.567 4.737 4.170 -0.000 0.000 0.290 310 I C 0.267 176.512 176.117 0.213 0.000 1.032 310 I CA -1.105 60.344 61.300 0.249 0.000 1.073 310 I CB 2.164 40.283 38.000 0.199 0.000 1.251 310 I HN 0.851 nan 8.210 nan 0.000 0.426 311 G N 3.337 112.219 108.800 0.137 0.000 2.390 311 G HA2 0.565 4.525 3.960 -0.000 0.000 0.270 311 G HA3 0.565 4.525 3.960 -0.000 0.000 0.270 311 G C -0.277 174.726 174.900 0.171 0.000 1.211 311 G CA -0.131 45.053 45.100 0.139 0.000 0.842 311 G HN 0.631 nan 8.290 nan 0.000 0.519 312 T N -0.984 113.714 114.554 0.240 0.000 2.886 312 T HA 0.586 4.936 4.350 -0.000 0.000 0.292 312 T C -1.334 173.620 174.700 0.423 0.000 1.012 312 T CA -0.788 61.488 62.100 0.292 0.000 0.982 312 T CB 1.862 70.881 68.868 0.253 0.000 1.018 312 T HN 0.388 nan 8.240 nan 0.000 0.451 313 F N 2.871 122.952 119.950 0.219 0.000 2.434 313 F HA 0.786 5.313 4.527 -0.000 0.000 0.367 313 F C -0.621 175.323 175.800 0.239 0.000 1.093 313 F CA -1.390 56.724 58.000 0.191 0.000 1.085 313 F CB 0.275 39.310 39.000 0.058 0.000 1.322 313 F HN 1.136 nan 8.300 nan 0.000 0.452 314 A N 5.784 128.677 122.820 0.122 0.000 2.604 314 A HA 0.574 4.894 4.320 -0.000 0.000 0.295 314 A C -0.134 177.464 177.584 0.024 0.000 1.067 314 A CA -0.605 51.434 52.037 0.003 0.000 0.683 314 A CB 0.824 19.941 19.000 0.195 0.000 1.281 314 A HN 0.604 nan 8.150 nan 0.000 0.407 315 I N 0.477 121.035 120.570 -0.020 0.000 2.480 315 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 315 I C 0.705 176.864 176.117 0.070 0.000 1.124 315 I CA 0.477 61.802 61.300 0.042 0.000 1.444 315 I CB -0.037 37.997 38.000 0.056 0.000 1.098 315 I HN 0.574 nan 8.210 nan 0.000 0.428 316 N N 0.051 118.785 118.700 0.056 0.000 2.463 316 N HA 0.179 4.919 4.740 -0.000 0.000 0.270 316 N C -0.042 175.613 175.510 0.241 0.000 1.205 316 N CA -0.117 52.988 53.050 0.091 0.000 0.974 316 N CB 1.822 40.304 38.487 -0.008 0.000 1.197 316 N HN -0.062 nan 8.380 nan 0.000 0.504 317 F N 0.203 120.200 119.950 0.077 0.000 2.056 317 F HA 0.286 4.813 4.527 -0.000 0.000 0.210 317 F C 0.699 176.615 175.800 0.193 0.000 1.238 317 F CA -0.169 57.918 58.000 0.145 0.000 1.288 317 F CB -0.384 38.663 39.000 0.080 0.000 1.811 317 F HN 0.197 nan 8.300 nan 0.000 0.251 318 S N 2.150 117.995 115.700 0.243 0.000 2.549 318 S HA 0.491 4.961 4.470 -0.000 0.000 0.283 318 S C -0.682 173.978 174.600 0.099 0.000 1.320 318 S CA -0.239 58.035 58.200 0.122 0.000 1.058 318 S CB -0.060 63.244 63.200 0.173 0.000 0.882 318 S HN 0.495 nan 8.310 nan 0.000 0.498 319 R N 1.166 121.711 120.500 0.074 0.000 2.825 319 R HA 0.352 4.692 4.340 -0.000 0.000 0.274 319 R C -3.766 172.538 176.300 0.008 0.000 1.026 319 R CA -1.767 54.340 56.100 0.011 0.000 0.867 319 R CB -0.113 30.150 30.300 -0.062 0.000 1.268 319 R HN 0.257 nan 8.270 nan 0.000 0.491 320 P HA 0.109 nan 4.420 nan 0.000 0.269 320 P C -0.228 177.050 177.300 -0.035 0.000 1.209 320 P CA -0.056 63.009 63.100 -0.057 0.000 0.776 320 P CB 0.972 32.631 31.700 -0.068 0.000 0.876 321 A N 2.387 125.193 122.820 -0.023 0.000 2.387 321 A HA 0.288 4.608 4.320 -0.000 0.000 0.234 321 A C 2.036 179.628 177.584 0.012 0.000 1.253 321 A CA 0.746 52.815 52.037 0.052 0.000 0.894 321 A CB -0.969 18.074 19.000 0.071 0.000 0.963 321 A HN 0.595 nan 8.150 nan 0.000 0.508 322 G N 0.148 108.929 108.800 -0.031 0.000 2.440 322 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 322 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 322 G C 1.417 176.306 174.900 -0.018 0.000 1.154 322 G CA 1.206 46.289 45.100 -0.029 0.000 0.767 322 G HN 0.538 nan 8.290 nan 0.000 0.552 323 Q N -0.121 119.655 119.800 -0.040 0.000 2.119 323 Q HA 0.021 4.361 4.340 -0.000 0.000 0.201 323 Q C 2.796 178.800 176.000 0.007 0.000 0.972 323 Q CA 1.022 56.803 55.803 -0.035 0.000 0.847 323 Q CB -0.395 28.297 28.738 -0.077 0.000 0.903 323 Q HN 0.349 nan 8.270 nan 0.000 0.433 324 V N 0.490 120.416 119.914 0.020 0.000 2.295 324 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 324 V C 2.013 178.208 176.094 0.168 0.000 1.049 324 V CA 1.677 64.057 62.300 0.134 0.000 1.024 324 V CB -0.460 31.477 31.823 0.190 0.000 0.648 324 V HN 0.360 nan 8.190 nan 0.000 0.447 325 I N 0.369 121.015 120.570 0.128 0.000 2.226 325 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 325 I C 2.632 178.853 176.117 0.174 0.000 1.100 325 I CA 1.565 62.959 61.300 0.157 0.000 1.374 325 I CB -0.563 37.496 38.000 0.098 0.000 1.057 325 I HN 0.284 nan 8.210 nan 0.000 0.413 326 A N 0.043 122.923 122.820 0.100 0.000 1.933 326 A HA -0.283 4.036 4.320 -0.000 0.000 0.218 326 A C 2.234 179.890 177.584 0.121 0.000 1.175 326 A CA 1.944 54.044 52.037 0.104 0.000 0.628 326 A CB -0.600 18.422 19.000 0.036 0.000 0.814 326 A HN 0.457 nan 8.150 nan 0.000 0.444 327 Q N -1.582 118.246 119.800 0.047 0.000 2.119 327 Q HA -0.197 4.143 4.340 -0.000 0.000 0.201 327 Q C 1.809 177.583 176.000 -0.377 0.000 0.972 327 Q CA 2.044 57.759 55.803 -0.147 0.000 0.847 327 Q CB -0.581 28.141 28.738 -0.026 0.000 0.903 327 Q HN 0.686 nan 8.270 nan 0.000 0.433 328 Y N -0.264 119.907 120.300 -0.214 0.000 2.242 328 Y HA -0.235 4.315 4.550 -0.000 0.000 0.291 328 Y C 1.943 177.868 175.900 0.042 0.000 1.137 328 Y CA 1.650 59.685 58.100 -0.109 0.000 1.181 328 Y CB -0.731 37.759 38.460 0.051 0.000 0.989 328 Y HN 0.362 nan 8.280 nan 0.000 0.527 329 Y N 1.217 121.474 120.300 -0.073 0.000 2.165 329 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 329 Y C 2.133 177.994 175.900 -0.065 0.000 1.155 329 Y CA 2.229 60.271 58.100 -0.098 0.000 1.164 329 Y CB -0.367 38.083 38.460 -0.018 0.000 0.978 329 Y HN 0.108 nan 8.280 nan 0.000 0.513 330 E N -0.132 119.981 120.200 -0.145 0.000 2.051 330 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 330 E C 2.149 178.827 176.600 0.130 0.000 0.991 330 E CA 1.143 57.464 56.400 -0.133 0.000 0.799 330 E CB -0.736 28.984 29.700 0.035 0.000 0.748 330 E HN 0.449 nan 8.360 nan 0.000 0.449 331 F N 1.020 120.994 119.950 0.041 0.000 2.095 331 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 331 F C 2.482 178.233 175.800 -0.080 0.000 1.104 331 F CA 0.586 58.620 58.000 0.056 0.000 1.232 331 F CB -1.180 37.833 39.000 0.020 0.000 0.987 331 F HN -0.001 nan 8.300 nan 0.000 0.475 332 L N 0.087 121.270 121.223 -0.066 0.000 2.027 332 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 332 L C 2.735 179.518 176.870 -0.146 0.000 1.074 332 L CA 1.642 56.373 54.840 -0.182 0.000 0.745 332 L CB -0.462 41.378 42.059 -0.365 0.000 0.898 332 L HN 0.152 nan 8.230 nan 0.000 0.433 333 R N -0.155 120.192 120.500 -0.253 0.000 2.153 333 R HA -0.083 4.257 4.340 -0.000 0.000 0.218 333 R C 1.845 178.051 176.300 -0.156 0.000 1.072 333 R CA 1.006 56.956 56.100 -0.249 0.000 0.990 333 R CB -0.179 29.833 30.300 -0.480 0.000 0.889 333 R HN 0.332 nan 8.270 nan 0.000 0.452 334 L N 0.201 121.357 121.223 -0.112 0.000 2.262 334 L HA 0.293 4.633 4.340 -0.000 0.000 0.197 334 L C 1.178 178.072 176.870 0.040 0.000 1.073 334 L CA 0.567 55.364 54.840 -0.072 0.000 0.800 334 L CB -0.578 41.353 42.059 -0.213 0.000 0.987 334 L HN 0.533 nan 8.230 nan 0.000 0.470 335 G N 0.290 109.175 108.800 0.141 0.000 2.752 335 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.234 335 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.234 335 G C 0.377 175.360 174.900 0.140 0.000 1.367 335 G CA 0.256 45.420 45.100 0.107 0.000 0.879 335 G HN 0.218 nan 8.290 nan 0.000 0.563 336 R N 0.169 120.750 120.500 0.135 0.000 2.081 336 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 336 R C 2.617 179.002 176.300 0.143 0.000 1.131 336 R CA 1.830 58.069 56.100 0.232 0.000 0.960 336 R CB -0.307 30.142 30.300 0.247 0.000 0.856 336 R HN 0.770 nan 8.270 nan 0.000 0.436 337 E N 0.181 120.436 120.200 0.092 0.000 2.058 337 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 337 E C 1.985 178.597 176.600 0.020 0.000 0.997 337 E CA 1.635 58.069 56.400 0.058 0.000 0.801 337 E CB -0.240 29.483 29.700 0.038 0.000 0.746 337 E HN 0.404 nan 8.360 nan 0.000 0.450 338 G N -0.746 108.049 108.800 -0.008 0.000 2.394 338 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.215 338 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.215 338 G C 1.170 175.974 174.900 -0.160 0.000 1.165 338 G CA 0.751 45.803 45.100 -0.081 0.000 0.784 338 G HN 0.302 nan 8.290 nan 0.000 0.535 339 Y N 1.437 121.543 120.300 -0.323 0.000 2.224 339 Y HA -0.109 4.441 4.550 -0.000 0.000 0.289 339 Y C 3.330 179.018 175.900 -0.352 0.000 1.146 339 Y CA 1.775 59.543 58.100 -0.553 0.000 1.182 339 Y CB -0.390 37.160 38.460 -1.516 0.000 0.983 339 Y HN 0.140 nan 8.280 nan 0.000 0.524 340 T N -0.237 114.293 114.554 -0.039 0.000 2.720 340 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 340 T C 1.781 176.537 174.700 0.094 0.000 1.037 340 T CA 1.791 63.972 62.100 0.135 0.000 1.144 340 T CB -0.179 68.792 68.868 0.173 0.000 0.864 340 T HN 0.261 nan 8.240 nan 0.000 0.444 341 K N 0.397 120.814 120.400 0.027 0.000 2.103 341 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 341 K C 2.310 178.906 176.600 -0.005 0.000 1.052 341 K CA 0.673 56.967 56.287 0.012 0.000 0.945 341 K CB -0.312 32.178 32.500 -0.017 0.000 0.722 341 K HN 0.113 nan 8.250 nan 0.000 0.443 342 V N 1.681 121.561 119.914 -0.056 0.000 2.295 342 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 342 V C 2.315 178.421 176.094 0.019 0.000 1.049 342 V CA 1.616 63.870 62.300 -0.077 0.000 1.024 342 V CB -0.431 31.276 31.823 -0.192 0.000 0.648 342 V HN 0.331 nan 8.190 nan 0.000 0.447 343 Q N 0.043 119.902 119.800 0.099 0.000 2.079 343 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 343 Q C 2.039 178.193 176.000 0.257 0.000 0.974 343 Q CA 1.687 57.612 55.803 0.203 0.000 0.840 343 Q CB -0.831 28.118 28.738 0.351 0.000 0.898 343 Q HN 0.731 nan 8.270 nan 0.000 0.430 344 N N 0.662 119.512 118.700 0.251 0.000 2.149 344 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 344 N C 1.735 177.348 175.510 0.171 0.000 1.019 344 N CA 1.007 54.206 53.050 0.249 0.000 0.857 344 N CB -0.061 38.512 38.487 0.143 0.000 0.997 344 N HN 0.275 nan 8.380 nan 0.000 0.426 345 A N 0.263 123.136 122.820 0.088 0.000 1.902 345 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 345 A C 2.314 179.923 177.584 0.042 0.000 1.181 345 A CA 1.542 53.600 52.037 0.035 0.000 0.623 345 A CB -0.542 18.449 19.000 -0.016 0.000 0.818 345 A HN 0.198 nan 8.150 nan 0.000 0.443 346 S N -1.554 114.171 115.700 0.042 0.000 2.383 346 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 346 S C 1.801 176.397 174.600 -0.005 0.000 1.026 346 S CA 1.279 59.487 58.200 0.014 0.000 0.981 346 S CB -0.510 62.691 63.200 0.002 0.000 0.818 346 S HN 0.649 nan 8.310 nan 0.000 0.472 347 Y N 2.315 122.643 120.300 0.047 0.000 2.224 347 Y HA -0.119 4.431 4.550 -0.000 0.000 0.289 347 Y C 2.604 178.522 175.900 0.029 0.000 1.146 347 Y CA 0.986 59.100 58.100 0.023 0.000 1.182 347 Y CB -0.526 37.941 38.460 0.011 0.000 0.983 347 Y HN 0.331 nan 8.280 nan 0.000 0.524 348 Q N -0.841 119.064 119.800 0.176 0.000 2.084 348 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 348 Q C 2.357 178.414 176.000 0.095 0.000 0.978 348 Q CA 1.827 57.692 55.803 0.102 0.000 0.844 348 Q CB -0.412 28.353 28.738 0.045 0.000 0.898 348 Q HN 0.313 nan 8.270 nan 0.000 0.426 349 V N 1.052 121.010 119.914 0.073 0.000 2.295 349 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 349 V C 2.297 178.482 176.094 0.152 0.000 1.049 349 V CA 1.855 64.203 62.300 0.079 0.000 1.024 349 V CB -1.039 30.796 31.823 0.021 0.000 0.648 349 V HN 0.412 nan 8.190 nan 0.000 0.447 350 A N 0.149 123.050 122.820 0.134 0.000 1.865 350 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 350 A C 2.449 180.091 177.584 0.098 0.000 1.191 350 A CA 2.362 54.471 52.037 0.120 0.000 0.623 350 A CB -0.996 18.054 19.000 0.082 0.000 0.826 350 A HN 0.593 nan 8.150 nan 0.000 0.444 351 A N -1.670 121.215 122.820 0.108 0.000 1.940 351 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 351 A C 2.158 179.770 177.584 0.048 0.000 1.176 351 A CA 1.858 53.932 52.037 0.063 0.000 0.631 351 A CB -0.818 18.226 19.000 0.073 0.000 0.814 351 A HN 0.783 nan 8.150 nan 0.000 0.446 352 Y N 0.345 120.626 120.300 -0.032 0.000 2.163 352 Y HA -0.126 4.424 4.550 -0.000 0.000 0.288 352 Y C 1.964 177.821 175.900 -0.072 0.000 1.136 352 Y CA 1.712 59.779 58.100 -0.055 0.000 1.147 352 Y CB -0.352 38.077 38.460 -0.051 0.000 0.987 352 Y HN 0.213 nan 8.280 nan 0.000 0.509 353 L N -0.427 120.739 121.223 -0.095 0.000 2.046 353 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 353 L C 2.776 179.507 176.870 -0.232 0.000 1.077 353 L CA 1.187 55.913 54.840 -0.191 0.000 0.747 353 L CB -1.021 41.038 42.059 0.000 0.000 0.896 353 L HN 0.350 nan 8.230 nan 0.000 0.432 354 A N 0.149 122.877 122.820 -0.154 0.000 1.865 354 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 354 A C 1.881 179.209 177.584 -0.426 0.000 1.191 354 A CA 2.233 54.132 52.037 -0.230 0.000 0.623 354 A CB -0.657 18.217 19.000 -0.211 0.000 0.826 354 A HN 0.362 nan 8.150 nan 0.000 0.444 355 D N -0.887 119.302 120.400 -0.351 0.000 2.144 355 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 355 D C 1.938 178.039 176.300 -0.332 0.000 0.984 355 D CA 1.507 55.308 54.000 -0.332 0.000 0.834 355 D CB -0.203 40.461 40.800 -0.225 0.000 0.955 355 D HN 0.488 nan 8.370 nan 0.000 0.465 356 E N 0.068 120.012 120.200 -0.426 0.000 2.076 356 E HA 0.040 4.389 4.350 -0.000 0.000 0.190 356 E C 2.081 178.488 176.600 -0.322 0.000 0.979 356 E CA 0.336 56.484 56.400 -0.420 0.000 0.807 356 E CB -0.126 29.181 29.700 -0.655 0.000 0.761 356 E HN 0.268 nan 8.360 nan 0.000 0.454 357 I N 0.189 120.552 120.570 -0.346 0.000 2.394 357 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 357 I C 2.118 178.223 176.117 -0.021 0.000 1.136 357 I CA 0.884 61.978 61.300 -0.343 0.000 1.425 357 I CB -0.256 37.434 38.000 -0.517 0.000 1.079 357 I HN 0.104 nan 8.210 nan 0.000 0.425 358 A N 0.848 123.673 122.820 0.009 0.000 2.070 358 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 358 A C 2.141 179.743 177.584 0.031 0.000 1.159 358 A CA 1.421 53.540 52.037 0.136 0.000 0.656 358 A CB -0.390 18.485 19.000 -0.208 0.000 0.800 358 A HN 0.384 nan 8.150 nan 0.000 0.453 359 K N -0.506 119.863 120.400 -0.052 0.000 2.459 359 K HA 0.229 4.549 4.320 -0.000 0.000 0.193 359 K C 0.931 177.508 176.600 -0.038 0.000 1.030 359 K CA 0.348 56.600 56.287 -0.058 0.000 1.026 359 K CB -0.011 32.442 32.500 -0.079 0.000 0.809 359 K HN 0.473 nan 8.250 nan 0.000 0.504 360 L N -0.432 120.788 121.223 -0.004 0.000 2.554 360 L HA 0.215 4.555 4.340 -0.000 0.000 0.225 360 L C 0.919 177.794 176.870 0.007 0.000 1.104 360 L CA -0.320 54.552 54.840 0.052 0.000 0.866 360 L CB 0.564 42.695 42.059 0.121 0.000 1.047 360 L HN 0.109 nan 8.230 nan 0.000 0.468 361 G N -0.278 108.335 108.800 -0.312 0.000 2.559 361 G HA2 0.339 4.299 3.960 -0.000 0.000 0.291 361 G HA3 0.339 4.299 3.960 -0.000 0.000 0.291 361 G C -2.975 171.346 174.900 -0.966 0.000 1.424 361 G CA -0.503 44.152 45.100 -0.741 0.000 0.786 361 G HN -0.327 nan 8.290 nan 0.000 0.485 362 P HA 0.295 nan 4.420 nan 0.000 0.252 362 P C -1.424 175.747 177.300 -0.216 0.000 1.727 362 P CA 0.045 62.946 63.100 -0.332 0.000 1.134 362 P CB -0.359 31.231 31.700 -0.185 0.000 1.876 363 Y N -0.044 120.299 120.300 0.071 0.000 2.509 363 Y HA 0.494 5.044 4.550 -0.000 0.000 0.341 363 Y C 0.823 176.755 175.900 0.053 0.000 1.038 363 Y CA -1.764 56.352 58.100 0.027 0.000 1.089 363 Y CB 1.708 40.082 38.460 -0.143 0.000 1.241 363 Y HN 0.253 nan 8.280 nan 0.000 0.468 364 E N 2.239 122.539 120.200 0.166 0.000 2.165 364 E HA 0.471 4.821 4.350 -0.000 0.000 0.266 364 E C -1.849 174.790 176.600 0.066 0.000 0.889 364 E CA -0.526 55.970 56.400 0.160 0.000 0.756 364 E CB 0.686 30.444 29.700 0.097 0.000 1.131 364 E HN 0.435 nan 8.360 nan 0.000 0.411 365 F N 4.365 124.395 119.950 0.134 0.000 2.394 365 F HA 0.334 4.861 4.527 -0.000 0.000 0.340 365 F C 1.018 176.882 175.800 0.105 0.000 1.105 365 F CA -0.467 57.612 58.000 0.132 0.000 1.124 365 F CB 0.959 40.004 39.000 0.075 0.000 1.145 365 F HN 0.552 nan 8.300 nan 0.000 0.505 366 I N 0.719 121.428 120.570 0.232 0.000 3.526 366 I HA 0.082 4.252 4.170 -0.000 0.000 0.294 366 I C 0.148 176.393 176.117 0.214 0.000 1.229 366 I CA 0.614 62.029 61.300 0.193 0.000 1.408 366 I CB 0.590 38.671 38.000 0.135 0.000 1.127 366 I HN 0.467 nan 8.210 nan 0.000 0.439 367 C N 0.842 120.274 119.300 0.221 0.000 2.701 367 C HA 0.429 4.889 4.460 -0.000 0.000 0.336 367 C C 0.915 176.023 174.990 0.197 0.000 1.123 367 C CA -0.268 58.844 59.018 0.157 0.000 1.326 367 C CB 0.887 28.684 27.740 0.095 0.000 1.833 367 C HN 0.474 nan 8.230 nan 0.000 0.473 368 T N 0.301 114.924 114.554 0.116 0.000 3.182 368 T HA 0.416 4.765 4.350 -0.000 0.000 0.277 368 T C 1.126 175.853 174.700 0.044 0.000 1.013 368 T CA 0.723 62.862 62.100 0.066 0.000 0.900 368 T CB 0.106 68.947 68.868 -0.044 0.000 1.098 368 T HN 2.250 nan 8.240 nan 0.000 0.543 369 G N 2.567 111.406 108.800 0.065 0.000 2.176 369 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.252 369 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.252 369 G C -0.063 174.940 174.900 0.171 0.000 1.024 369 G CA -0.597 44.575 45.100 0.119 0.000 0.755 369 G HN 0.588 nan 8.290 nan 0.000 0.507 370 R N -0.546 119.987 120.500 0.054 0.000 2.297 370 R HA 0.334 4.674 4.340 -0.000 0.000 0.308 370 R C -1.483 174.724 176.300 -0.155 0.000 1.029 370 R CA -2.151 53.929 56.100 -0.034 0.000 0.929 370 R CB 0.959 31.241 30.300 -0.029 0.000 1.046 370 R HN 0.038 nan 8.270 nan 0.000 0.461 371 P HA -0.198 nan 4.420 nan 0.000 0.216 371 P C 0.744 177.942 177.300 -0.169 0.000 1.150 371 P CA 1.403 64.087 63.100 -0.694 0.000 0.843 371 P CB 0.221 31.506 31.700 -0.691 0.000 0.787 372 D N -0.849 119.519 120.400 -0.053 0.000 2.317 372 D HA -0.115 4.525 4.640 -0.000 0.000 0.211 372 D C 1.443 177.900 176.300 0.263 0.000 0.966 372 D CA 0.891 54.959 54.000 0.113 0.000 0.876 372 D CB -0.338 40.493 40.800 0.052 0.000 0.927 372 D HN 0.246 nan 8.370 nan 0.000 0.519 373 E N -0.137 120.128 120.200 0.109 0.000 2.251 373 E HA 0.307 4.657 4.350 -0.000 0.000 0.194 373 E C 0.988 177.413 176.600 -0.292 0.000 0.964 373 E CA 0.438 56.894 56.400 0.092 0.000 0.868 373 E CB 0.924 30.640 29.700 0.027 0.000 0.828 373 E HN 0.376 nan 8.360 nan 0.000 0.481 374 G N 0.605 109.018 108.800 -0.645 0.000 2.485 374 G HA2 0.211 4.171 3.960 -0.000 0.000 0.182 374 G HA3 0.211 4.171 3.960 -0.000 0.000 0.182 374 G C -1.116 173.193 174.900 -0.984 0.000 1.172 374 G CA -0.465 43.725 45.100 -1.517 0.000 0.996 374 G HN 0.125 nan 8.290 nan 0.000 0.496 375 I N -1.050 119.104 120.570 -0.694 0.000 3.078 375 I HA 0.680 4.850 4.170 -0.000 0.000 0.318 375 I C -2.420 173.489 176.117 -0.346 0.000 1.016 375 I CA -2.532 58.491 61.300 -0.461 0.000 1.130 375 I CB 2.003 39.737 38.000 -0.444 0.000 1.397 375 I HN 0.098 nan 8.210 nan 0.000 0.570 376 P HA 0.268 nan 4.420 nan 0.000 0.241 376 P C -1.035 176.167 177.300 -0.163 0.000 1.760 376 P CA 0.187 62.997 63.100 -0.484 0.000 1.081 376 P CB -0.070 31.255 31.700 -0.625 0.000 1.975 377 A N 1.472 124.236 122.820 -0.092 0.000 2.556 377 A HA 0.712 5.032 4.320 -0.000 0.000 0.294 377 A C -1.180 176.424 177.584 0.033 0.000 1.091 377 A CA -0.626 51.386 52.037 -0.042 0.000 0.704 377 A CB 1.571 20.524 19.000 -0.079 0.000 1.300 377 A HN 0.066 nan 8.150 nan 0.000 0.406 378 V N 0.114 120.073 119.914 0.074 0.000 2.487 378 V HA 0.583 4.703 4.120 -0.000 0.000 0.298 378 V C -0.681 175.526 176.094 0.188 0.000 1.028 378 V CA -0.520 61.882 62.300 0.170 0.000 0.860 378 V CB 1.148 33.088 31.823 0.195 0.000 0.991 378 V HN 1.093 nan 8.190 nan 0.000 0.427 379 C N 7.631 127.065 119.300 0.223 0.000 2.481 379 C HA 0.930 5.390 4.460 -0.000 0.000 0.324 379 C C -0.929 174.122 174.990 0.102 0.000 1.170 379 C CA -0.685 58.389 59.018 0.095 0.000 1.361 379 C CB 0.145 27.920 27.740 0.059 0.000 1.977 379 C HN 0.877 nan 8.230 nan 0.000 0.459 380 F N 3.956 123.703 119.950 -0.339 0.000 2.711 380 F HA 0.847 5.374 4.527 -0.000 0.000 0.313 380 F C -1.051 174.498 175.800 -0.419 0.000 1.141 380 F CA -0.989 56.695 58.000 -0.527 0.000 0.941 380 F CB 1.033 39.327 39.000 -1.176 0.000 1.349 380 F HN 0.656 nan 8.300 nan 0.000 0.464 381 K N 1.140 121.388 120.400 -0.252 0.000 2.466 381 K HA 0.735 5.055 4.320 -0.000 0.000 0.260 381 K C -1.755 174.852 176.600 0.011 0.000 1.011 381 K CA -1.037 55.104 56.287 -0.243 0.000 0.871 381 K CB 2.343 34.728 32.500 -0.191 0.000 1.404 381 K HN 0.832 nan 8.250 nan 0.000 0.450 382 L N 2.028 123.268 121.223 0.028 0.000 2.426 382 L HA 0.225 4.565 4.340 -0.000 0.000 0.271 382 L C 0.228 177.133 176.870 0.059 0.000 1.169 382 L CA -0.511 54.411 54.840 0.138 0.000 0.836 382 L CB 0.539 42.625 42.059 0.045 0.000 1.112 382 L HN 0.570 nan 8.230 nan 0.000 0.465 383 K N 1.992 122.431 120.400 0.066 0.000 2.485 383 K HA 0.007 4.327 4.320 -0.000 0.000 0.277 383 K C -0.553 176.047 176.600 -0.000 0.000 0.990 383 K CA -0.470 55.834 56.287 0.030 0.000 0.994 383 K CB 0.244 32.757 32.500 0.021 0.000 0.906 383 K HN 0.428 nan 8.250 nan 0.000 0.488 384 D N 1.226 121.624 120.400 -0.004 0.000 2.533 384 D HA -0.002 4.638 4.640 -0.000 0.000 0.236 384 D C 1.178 177.468 176.300 -0.017 0.000 1.137 384 D CA 1.173 55.165 54.000 -0.013 0.000 0.867 384 D CB 0.603 41.397 40.800 -0.011 0.000 1.170 384 D HN 0.787 nan 8.370 nan 0.000 0.474 385 G N 1.748 110.535 108.800 -0.022 0.000 2.179 385 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 385 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 385 G C 0.221 175.102 174.900 -0.032 0.000 1.010 385 G CA 0.345 45.431 45.100 -0.024 0.000 0.736 385 G HN 0.489 nan 8.290 nan 0.000 0.513 386 E N 0.263 120.438 120.200 -0.041 0.000 2.176 386 E HA 0.542 4.891 4.350 -0.000 0.000 0.267 386 E C -1.195 175.354 176.600 -0.086 0.000 0.893 386 E CA -0.800 55.565 56.400 -0.058 0.000 0.761 386 E CB 1.203 30.870 29.700 -0.056 0.000 1.133 386 E HN 0.098 nan 8.360 nan 0.000 0.409 387 D N 5.039 125.381 120.400 -0.097 0.000 2.432 387 D HA 0.286 4.926 4.640 -0.000 0.000 0.265 387 D C -1.892 174.310 176.300 -0.164 0.000 1.160 387 D CA -1.915 52.009 54.000 -0.127 0.000 0.911 387 D CB 1.276 42.028 40.800 -0.080 0.000 1.052 387 D HN 0.248 nan 8.370 nan 0.000 0.508 388 P HA 0.191 nan 4.420 nan 0.000 0.234 388 P C 0.692 177.861 177.300 -0.217 0.000 1.167 388 P CA 0.546 63.464 63.100 -0.303 0.000 0.763 388 P CB 0.418 31.779 31.700 -0.565 0.000 0.835 389 G N -1.464 107.206 108.800 -0.216 0.000 2.135 389 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.183 389 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.183 389 G C -0.275 174.692 174.900 0.112 0.000 1.004 389 G CA -0.247 44.844 45.100 -0.014 0.000 0.677 389 G HN 0.500 nan 8.290 nan 0.000 0.512 390 Y N -2.529 117.802 120.300 0.052 0.000 2.732 390 Y HA 0.710 5.260 4.550 -0.000 0.000 0.342 390 Y C -0.257 175.676 175.900 0.055 0.000 1.203 390 Y CA -0.793 57.342 58.100 0.059 0.000 1.092 390 Y CB 0.242 38.741 38.460 0.065 0.000 1.345 390 Y HN 0.863 nan 8.280 nan 0.000 0.458 391 T N -1.013 113.710 114.554 0.282 0.000 2.949 391 T HA 0.507 4.856 4.350 -0.000 0.000 0.287 391 T C 0.472 175.310 174.700 0.230 0.000 1.034 391 T CA -0.943 61.253 62.100 0.160 0.000 1.018 391 T CB 1.333 70.288 68.868 0.147 0.000 1.135 391 T HN 0.860 nan 8.240 nan 0.000 0.532 392 L N -0.119 121.102 121.223 -0.004 0.000 2.275 392 L HA -0.002 4.338 4.340 -0.000 0.000 0.215 392 L C 2.139 178.937 176.870 -0.120 0.000 1.119 392 L CA 1.011 55.785 54.840 -0.111 0.000 0.790 392 L CB -0.629 41.212 42.059 -0.362 0.000 0.919 392 L HN 0.688 nan 8.230 nan 0.000 0.443 393 Y N 0.341 120.641 120.300 -0.000 0.000 2.200 393 Y HA -0.224 4.326 4.550 -0.000 0.000 0.290 393 Y C 2.493 178.400 175.900 0.011 0.000 1.137 393 Y CA 0.954 59.054 58.100 -0.000 0.000 1.163 393 Y CB -0.498 37.969 38.460 0.012 0.000 0.988 393 Y HN 0.233 nan 8.280 nan 0.000 0.518 394 D N -0.269 120.255 120.400 0.206 0.000 2.117 394 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 394 D C 2.229 178.547 176.300 0.030 0.000 0.987 394 D CA 1.008 55.085 54.000 0.129 0.000 0.829 394 D CB -0.534 40.367 40.800 0.168 0.000 0.961 394 D HN 0.246 nan 8.370 nan 0.000 0.460 395 L N 0.915 122.120 121.223 -0.030 0.000 2.046 395 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 395 L C 2.311 179.100 176.870 -0.135 0.000 1.077 395 L CA 1.559 56.284 54.840 -0.192 0.000 0.747 395 L CB -0.885 41.001 42.059 -0.287 0.000 0.896 395 L HN -0.111 nan 8.230 nan 0.000 0.432 396 S N -0.955 114.710 115.700 -0.058 0.000 2.368 396 S HA -0.269 4.201 4.470 -0.000 0.000 0.225 396 S C 2.073 176.684 174.600 0.018 0.000 1.030 396 S CA 1.588 59.780 58.200 -0.014 0.000 0.999 396 S CB -0.384 62.837 63.200 0.035 0.000 0.844 396 S HN 0.676 nan 8.310 nan 0.000 0.459 397 E N -0.099 120.118 120.200 0.028 0.000 2.072 397 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 397 E C 2.184 178.779 176.600 -0.008 0.000 0.985 397 E CA 0.744 57.158 56.400 0.023 0.000 0.801 397 E CB -0.046 29.672 29.700 0.030 0.000 0.750 397 E HN 0.249 nan 8.360 nan 0.000 0.452 398 R N 0.497 120.975 120.500 -0.036 0.000 2.096 398 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 398 R C 2.448 178.726 176.300 -0.036 0.000 1.127 398 R CA 0.840 56.897 56.100 -0.072 0.000 0.968 398 R CB -1.031 29.210 30.300 -0.097 0.000 0.861 398 R HN 0.336 nan 8.270 nan 0.000 0.440 399 L N 0.062 121.278 121.223 -0.012 0.000 2.141 399 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 399 L C 2.606 179.576 176.870 0.166 0.000 1.094 399 L CA 1.037 55.931 54.840 0.091 0.000 0.763 399 L CB -0.304 41.786 42.059 0.052 0.000 0.908 399 L HN 0.116 nan 8.230 nan 0.000 0.437 400 R N 0.063 120.617 120.500 0.091 0.000 2.092 400 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 400 R C 2.207 178.527 176.300 0.033 0.000 1.119 400 R CA 1.045 57.189 56.100 0.074 0.000 0.970 400 R CB -0.235 30.093 30.300 0.048 0.000 0.864 400 R HN 0.345 nan 8.270 nan 0.000 0.440 401 L N 0.183 121.409 121.223 0.005 0.000 2.362 401 L HA -0.114 4.226 4.340 -0.000 0.000 0.219 401 L C 1.793 178.653 176.870 -0.016 0.000 1.134 401 L CA 0.999 55.821 54.840 -0.031 0.000 0.807 401 L CB -0.072 41.936 42.059 -0.084 0.000 0.927 401 L HN 0.095 nan 8.230 nan 0.000 0.447 402 R N -0.560 119.965 120.500 0.041 0.000 2.427 402 R HA 0.185 4.525 4.340 -0.000 0.000 0.262 402 R C 1.171 177.443 176.300 -0.045 0.000 0.943 402 R CA 0.638 56.778 56.100 0.066 0.000 1.081 402 R CB 0.740 31.170 30.300 0.217 0.000 1.166 402 R HN 0.369 nan 8.270 nan 0.000 0.534 403 G N 0.584 109.344 108.800 -0.067 0.000 2.195 403 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 403 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 403 G C -0.318 174.455 174.900 -0.212 0.000 0.984 403 G CA -0.189 44.797 45.100 -0.190 0.000 0.633 403 G HN 0.284 nan 8.290 nan 0.000 0.525 404 W N 0.271 121.584 121.300 0.021 0.000 2.381 404 W HA 0.695 5.355 4.660 -0.000 0.000 0.329 404 W C 0.453 176.975 176.519 0.004 0.000 1.157 404 W CA -0.769 56.587 57.345 0.018 0.000 1.240 404 W CB 1.143 30.624 29.460 0.036 0.000 1.199 404 W HN 0.101 nan 8.180 nan 0.000 0.579 405 Q N 2.415 122.376 119.800 0.269 0.000 2.456 405 Q HA 0.433 4.773 4.340 -0.000 0.000 0.252 405 Q C -1.698 174.386 176.000 0.139 0.000 1.042 405 Q CA -0.432 55.466 55.803 0.160 0.000 0.766 405 Q CB 0.969 29.773 28.738 0.110 0.000 1.196 405 Q HN 0.359 nan 8.270 nan 0.000 0.504 406 V N 7.284 127.267 119.914 0.114 0.000 2.304 406 V HA 0.468 4.588 4.120 -0.000 0.000 0.278 406 V C -2.127 174.000 176.094 0.054 0.000 1.018 406 V CA -1.695 60.640 62.300 0.058 0.000 0.814 406 V CB 1.248 33.087 31.823 0.026 0.000 1.021 406 V HN 0.719 nan 8.190 nan 0.000 0.440 407 P HA 0.242 nan 4.420 nan 0.000 0.267 407 P C -0.577 176.746 177.300 0.039 0.000 1.205 407 P CA 0.235 63.436 63.100 0.169 0.000 0.765 407 P CB 1.342 33.230 31.700 0.313 0.000 0.828 408 A N 4.418 127.273 122.820 0.058 0.000 2.330 408 A HA 0.832 5.152 4.320 -0.000 0.000 0.313 408 A C -0.691 176.902 177.584 0.016 0.000 1.124 408 A CA -0.505 51.403 52.037 -0.216 0.000 0.774 408 A CB 0.556 19.413 19.000 -0.240 0.000 1.198 408 A HN 0.556 nan 8.150 nan 0.000 0.465 409 F N -0.664 119.199 119.950 -0.145 0.000 2.779 409 F HA 0.788 5.315 4.527 -0.000 0.000 0.316 409 F C -0.399 175.346 175.800 -0.092 0.000 1.164 409 F CA -0.715 57.272 58.000 -0.021 0.000 0.924 409 F CB 1.093 40.089 39.000 -0.007 0.000 1.348 409 F HN 0.452 nan 8.300 nan 0.000 0.467 410 T N 1.735 116.444 114.554 0.258 0.000 2.928 410 T HA 0.656 5.006 4.350 -0.000 0.000 0.284 410 T C -0.426 174.349 174.700 0.125 0.000 1.008 410 T CA -0.537 61.623 62.100 0.101 0.000 1.057 410 T CB 0.619 69.544 68.868 0.095 0.000 1.018 410 T HN 0.663 nan 8.240 nan 0.000 0.493 411 L N 2.702 123.936 121.223 0.018 0.000 2.439 411 L HA 0.558 4.898 4.340 -0.000 0.000 0.259 411 L C 1.496 178.328 176.870 -0.064 0.000 1.129 411 L CA -0.818 54.010 54.840 -0.019 0.000 0.803 411 L CB 0.562 42.597 42.059 -0.039 0.000 1.161 411 L HN 0.820 nan 8.230 nan 0.000 0.462 412 G N -0.661 108.071 108.800 -0.114 0.000 2.531 412 G HA2 0.480 4.439 3.960 -0.000 0.000 0.253 412 G HA3 0.480 4.439 3.960 -0.000 0.000 0.253 412 G C 0.489 175.358 174.900 -0.051 0.000 1.439 412 G CA 0.079 45.123 45.100 -0.094 0.000 1.056 412 G HN 0.957 nan 8.290 nan 0.000 0.555 413 G N -0.239 108.543 108.800 -0.030 0.000 2.672 413 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.324 413 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.324 413 G C 0.645 175.534 174.900 -0.018 0.000 1.286 413 G CA 1.104 46.195 45.100 -0.015 0.000 1.004 413 G HN 0.726 nan 8.290 nan 0.000 0.548 414 E N 1.284 121.471 120.200 -0.021 0.000 2.394 414 E HA 0.585 4.934 4.350 -0.000 0.000 0.191 414 E C 1.450 178.032 176.600 -0.030 0.000 1.044 414 E CA 0.880 57.267 56.400 -0.021 0.000 0.939 414 E CB 0.382 30.072 29.700 -0.017 0.000 1.089 414 E HN 0.915 nan 8.360 nan 0.000 0.456 415 A N -0.427 122.370 122.820 -0.038 0.000 2.571 415 A HA 0.068 4.387 4.320 -0.000 0.000 0.274 415 A C 1.758 179.318 177.584 -0.041 0.000 1.196 415 A CA 0.199 52.207 52.037 -0.048 0.000 0.957 415 A CB -0.101 18.858 19.000 -0.069 0.000 1.150 415 A HN 0.179 nan 8.150 nan 0.000 0.539 416 T N -0.568 113.968 114.554 -0.030 0.000 2.918 416 T HA -0.193 4.157 4.350 -0.000 0.000 0.271 416 T C 1.154 175.847 174.700 -0.010 0.000 1.104 416 T CA 2.052 64.140 62.100 -0.020 0.000 1.114 416 T CB -0.420 68.440 68.868 -0.013 0.000 0.855 416 T HN 0.460 nan 8.240 nan 0.000 0.518 417 D N -0.434 119.955 120.400 -0.017 0.000 2.339 417 D HA 0.200 4.840 4.640 -0.000 0.000 0.217 417 D C 0.069 176.351 176.300 -0.030 0.000 1.050 417 D CA -0.019 53.973 54.000 -0.013 0.000 0.856 417 D CB -0.068 40.724 40.800 -0.013 0.000 0.922 417 D HN 0.490 nan 8.370 nan 0.000 0.518 418 I N 1.145 121.687 120.570 -0.048 0.000 2.315 418 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 418 I C -0.444 175.599 176.117 -0.124 0.000 1.006 418 I CA -0.859 60.391 61.300 -0.083 0.000 1.265 418 I CB 1.872 39.818 38.000 -0.089 0.000 1.387 418 I HN -0.282 nan 8.210 nan 0.000 0.475 419 V N 7.491 127.295 119.914 -0.184 0.000 2.370 419 V HA 0.404 4.524 4.120 -0.000 0.000 0.279 419 V C 0.155 175.994 176.094 -0.426 0.000 1.029 419 V CA -0.572 61.539 62.300 -0.315 0.000 0.870 419 V CB 1.527 33.109 31.823 -0.401 0.000 0.984 419 V HN 0.558 nan 8.190 nan 0.000 0.451 420 V N 2.756 122.329 119.914 -0.568 0.000 3.046 420 V HA 0.768 4.888 4.120 -0.000 0.000 0.316 420 V C -0.525 175.027 176.094 -0.904 0.000 1.104 420 V CA -1.006 60.878 62.300 -0.693 0.000 1.006 420 V CB 2.148 33.621 31.823 -0.583 0.000 1.058 420 V HN 0.855 nan 8.190 nan 0.000 0.440 421 M N 2.916 121.930 119.600 -0.976 0.000 2.321 421 M HA 0.629 5.108 4.480 -0.000 0.000 0.315 421 M C -0.777 175.153 176.300 -0.616 0.000 1.052 421 M CA -0.612 54.177 55.300 -0.852 0.000 0.936 421 M CB 1.630 33.611 32.600 -1.031 0.000 1.639 421 M HN 0.943 nan 8.290 nan 0.000 0.433 422 R N 5.308 125.605 120.500 -0.339 0.000 2.534 422 R HA 0.689 5.029 4.340 -0.000 0.000 0.301 422 R C -1.901 174.382 176.300 -0.028 0.000 0.961 422 R CA -0.486 55.551 56.100 -0.105 0.000 0.871 422 R CB 1.331 31.666 30.300 0.057 0.000 1.170 422 R HN 0.824 nan 8.270 nan 0.000 0.446 423 I N 4.799 125.368 120.570 -0.001 0.000 2.406 423 I HA 0.329 4.498 4.170 -0.000 0.000 0.290 423 I C -0.301 175.771 176.117 -0.076 0.000 0.999 423 I CA -0.816 60.468 61.300 -0.027 0.000 1.124 423 I CB 1.930 39.948 38.000 0.029 0.000 1.289 423 I HN 0.395 nan 8.210 nan 0.000 0.441 424 M N 5.190 124.693 119.600 -0.162 0.000 2.238 424 M HA 0.330 4.810 4.480 -0.000 0.000 0.350 424 M C -1.031 175.186 176.300 -0.138 0.000 1.138 424 M CA -0.449 54.720 55.300 -0.218 0.000 1.040 424 M CB 1.307 33.660 32.600 -0.411 0.000 1.639 424 M HN 0.552 nan 8.290 nan 0.000 0.451 425 C N 5.189 124.490 119.300 0.001 0.000 2.258 425 C HA 0.580 5.040 4.460 -0.000 0.000 0.321 425 C C 0.540 175.631 174.990 0.168 0.000 1.168 425 C CA -0.913 58.203 59.018 0.164 0.000 1.531 425 C CB -0.484 27.397 27.740 0.234 0.000 2.095 425 C HN 0.855 nan 8.230 nan 0.000 0.449 426 R N 1.591 122.148 120.500 0.095 0.000 2.875 426 R HA 0.661 5.001 4.340 -0.000 0.000 0.251 426 R C -0.096 176.225 176.300 0.035 0.000 1.123 426 R CA -0.901 55.206 56.100 0.012 0.000 1.064 426 R CB 1.010 31.193 30.300 -0.196 0.000 1.205 426 R HN 0.571 nan 8.270 nan 0.000 0.503 427 R N -0.276 120.204 120.500 -0.033 0.000 2.537 427 R HA 0.060 4.399 4.340 -0.000 0.000 0.281 427 R C 0.366 176.581 176.300 -0.142 0.000 0.988 427 R CA 2.067 58.100 56.100 -0.112 0.000 1.077 427 R CB -0.091 30.117 30.300 -0.154 0.000 0.932 427 R HN 0.976 nan 8.270 nan 0.000 0.409 428 G N 3.802 112.442 108.800 -0.267 0.000 2.339 428 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.209 428 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.209 428 G C -0.135 174.725 174.900 -0.067 0.000 1.015 428 G CA -0.032 44.921 45.100 -0.245 0.000 0.635 428 G HN 0.583 nan 8.290 nan 0.000 0.499 429 F N 4.541 124.418 119.950 -0.122 0.000 2.605 429 F HA 0.585 5.112 4.527 -0.000 0.000 0.352 429 F C 0.523 176.385 175.800 0.102 0.000 1.236 429 F CA -1.301 56.681 58.000 -0.030 0.000 1.267 429 F CB -0.099 38.913 39.000 0.019 0.000 1.632 429 F HN 0.051 nan 8.300 nan 0.000 0.639 430 E N 2.825 123.042 120.200 0.030 0.000 2.369 430 E HA -0.000 4.350 4.350 -0.000 0.000 0.255 430 E C 1.334 177.834 176.600 -0.166 0.000 1.172 430 E CA -0.315 56.075 56.400 -0.016 0.000 0.932 430 E CB 0.587 30.353 29.700 0.110 0.000 1.040 430 E HN 0.570 nan 8.360 nan 0.000 0.454 431 M N 1.278 120.774 119.600 -0.173 0.000 2.143 431 M HA -0.214 4.266 4.480 -0.000 0.000 0.258 431 M C 0.893 177.068 176.300 -0.208 0.000 1.071 431 M CA 1.756 56.920 55.300 -0.226 0.000 1.088 431 M CB -0.341 32.117 32.600 -0.238 0.000 1.360 431 M HN 0.356 nan 8.290 nan 0.000 0.404 432 D N -1.038 119.245 120.400 -0.195 0.000 2.144 432 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 432 D C 1.809 177.958 176.300 -0.251 0.000 0.984 432 D CA 1.354 55.202 54.000 -0.252 0.000 0.834 432 D CB -0.326 40.261 40.800 -0.355 0.000 0.955 432 D HN 0.407 nan 8.370 nan 0.000 0.465 433 F N 1.127 121.023 119.950 -0.089 0.000 2.259 433 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 433 F C 2.454 178.264 175.800 0.017 0.000 1.088 433 F CA 0.627 58.672 58.000 0.074 0.000 1.358 433 F CB -0.509 38.584 39.000 0.154 0.000 1.040 433 F HN -0.098 nan 8.300 nan 0.000 0.505 434 A N -0.088 122.599 122.820 -0.222 0.000 1.933 434 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 434 A C 2.203 179.836 177.584 0.082 0.000 1.175 434 A CA 1.465 53.426 52.037 -0.126 0.000 0.628 434 A CB -0.479 18.413 19.000 -0.181 0.000 0.814 434 A HN 0.273 nan 8.150 nan 0.000 0.444 435 E N -0.540 119.704 120.200 0.074 0.000 2.106 435 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 435 E C 1.943 178.611 176.600 0.115 0.000 0.984 435 E CA 1.106 57.571 56.400 0.109 0.000 0.806 435 E CB -0.379 29.347 29.700 0.043 0.000 0.750 435 E HN 0.514 nan 8.360 nan 0.000 0.458 436 L N 1.211 122.531 121.223 0.163 0.000 2.093 436 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 436 L C 2.257 179.302 176.870 0.291 0.000 1.085 436 L CA 1.162 56.162 54.840 0.266 0.000 0.755 436 L CB -0.715 41.575 42.059 0.385 0.000 0.904 436 L HN 0.084 nan 8.230 nan 0.000 0.435 437 L N -0.860 120.442 121.223 0.130 0.000 2.046 437 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 437 L C 2.333 179.146 176.870 -0.095 0.000 1.077 437 L CA 1.792 56.425 54.840 -0.344 0.000 0.747 437 L CB -0.628 41.109 42.059 -0.537 0.000 0.896 437 L HN 0.284 nan 8.230 nan 0.000 0.432 438 L N -0.716 120.501 121.223 -0.009 0.000 2.079 438 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 438 L C 2.546 179.463 176.870 0.079 0.000 1.081 438 L CA 1.533 56.372 54.840 -0.001 0.000 0.752 438 L CB -0.498 41.544 42.059 -0.029 0.000 0.896 438 L HN 0.375 nan 8.230 nan 0.000 0.433 439 E N -0.149 120.111 120.200 0.101 0.000 2.051 439 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 439 E C 1.748 178.434 176.600 0.142 0.000 0.991 439 E CA 1.362 57.833 56.400 0.118 0.000 0.799 439 E CB 0.033 29.808 29.700 0.124 0.000 0.748 439 E HN 0.447 nan 8.360 nan 0.000 0.449 440 D N -0.393 120.110 120.400 0.173 0.000 2.219 440 D HA -0.152 4.488 4.640 -0.000 0.000 0.205 440 D C 1.603 177.977 176.300 0.124 0.000 0.970 440 D CA 0.734 54.842 54.000 0.180 0.000 0.851 440 D CB -0.170 40.822 40.800 0.319 0.000 0.943 440 D HN 0.200 nan 8.370 nan 0.000 0.488 441 Y N 1.827 122.112 120.300 -0.026 0.000 2.163 441 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 441 Y C 2.149 178.046 175.900 -0.005 0.000 1.136 441 Y CA 1.491 59.567 58.100 -0.040 0.000 1.147 441 Y CB 0.084 38.504 38.460 -0.066 0.000 0.987 441 Y HN -0.185 nan 8.280 nan 0.000 0.509 442 K N -0.394 120.170 120.400 0.273 0.000 2.057 442 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 442 K C 2.314 178.987 176.600 0.120 0.000 1.049 442 K CA 1.139 57.539 56.287 0.187 0.000 0.931 442 K CB -0.385 32.194 32.500 0.131 0.000 0.714 442 K HN 0.354 nan 8.250 nan 0.000 0.440 443 A N 0.929 123.814 122.820 0.108 0.000 1.933 443 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 443 A C 2.177 179.813 177.584 0.087 0.000 1.175 443 A CA 1.865 53.962 52.037 0.099 0.000 0.628 443 A CB -0.504 18.552 19.000 0.094 0.000 0.814 443 A HN 0.175 nan 8.150 nan 0.000 0.444 444 S N -0.148 115.568 115.700 0.027 0.000 2.368 444 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 444 S C 1.811 176.388 174.600 -0.038 0.000 1.029 444 S CA 1.307 59.486 58.200 -0.034 0.000 0.988 444 S CB -0.413 62.691 63.200 -0.160 0.000 0.838 444 S HN 0.521 nan 8.310 nan 0.000 0.462 445 L N 1.218 122.401 121.223 -0.065 0.000 2.046 445 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 445 L C 2.552 179.450 176.870 0.046 0.000 1.077 445 L CA 1.339 56.141 54.840 -0.064 0.000 0.747 445 L CB -0.436 41.641 42.059 0.029 0.000 0.896 445 L HN 0.300 nan 8.230 nan 0.000 0.432 446 K N -0.558 119.896 120.400 0.090 0.000 2.097 446 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 446 K C 2.247 178.929 176.600 0.137 0.000 1.050 446 K CA 1.335 57.685 56.287 0.105 0.000 0.938 446 K CB -0.224 32.340 32.500 0.107 0.000 0.718 446 K HN 0.117 nan 8.250 nan 0.000 0.442 447 Y N 1.170 121.507 120.300 0.063 0.000 2.200 447 Y HA -0.140 4.410 4.550 -0.000 0.000 0.290 447 Y C 1.694 177.689 175.900 0.160 0.000 1.137 447 Y CA 1.509 59.675 58.100 0.109 0.000 1.163 447 Y CB 0.005 38.465 38.460 0.000 0.000 0.988 447 Y HN -0.005 nan 8.280 nan 0.000 0.518 448 L N -1.156 120.187 121.223 0.200 0.000 2.131 448 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 448 L C 2.760 179.703 176.870 0.120 0.000 1.092 448 L CA 1.564 56.494 54.840 0.150 0.000 0.759 448 L CB -0.682 41.416 42.059 0.065 0.000 0.903 448 L HN 0.196 nan 8.230 nan 0.000 0.435 449 S N -0.426 115.332 115.700 0.097 0.000 2.383 449 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 449 S C 1.547 176.142 174.600 -0.009 0.000 1.026 449 S CA 1.410 59.650 58.200 0.068 0.000 0.981 449 S CB -0.142 63.099 63.200 0.068 0.000 0.818 449 S HN 0.411 nan 8.310 nan 0.000 0.472 450 D N 0.009 120.376 120.400 -0.055 0.000 2.347 450 D HA 0.067 4.707 4.640 -0.000 0.000 0.213 450 D C -0.183 175.784 176.300 -0.555 0.000 0.985 450 D CA 0.683 54.536 54.000 -0.246 0.000 0.879 450 D CB -0.052 40.598 40.800 -0.251 0.000 0.919 450 D HN 0.550 nan 8.370 nan 0.000 0.526 451 H N -1.164 117.777 119.070 -0.216 0.000 2.379 451 H HA 0.227 4.783 4.556 -0.000 0.000 0.229 451 H C -1.826 173.473 175.328 -0.048 0.000 1.423 451 H CA -1.401 54.544 56.048 -0.170 0.000 1.375 451 H CB 1.138 30.723 29.762 -0.296 0.000 1.592 451 H HN -0.106 nan 8.280 nan 0.000 0.507 452 P HA -0.221 nan 4.420 nan 0.000 0.217 452 P C 1.118 178.458 177.300 0.067 0.000 1.148 452 P CA 1.385 64.515 63.100 0.049 0.000 0.834 452 P CB 0.367 32.075 31.700 0.013 0.000 0.783 453 K N -0.862 119.576 120.400 0.063 0.000 2.360 453 K HA -0.078 4.242 4.320 -0.000 0.000 0.201 453 K C 1.867 178.517 176.600 0.083 0.000 1.046 453 K CA 0.757 57.083 56.287 0.065 0.000 0.945 453 K CB -0.529 32.007 32.500 0.060 0.000 0.750 453 K HN 0.231 nan 8.250 nan 0.000 0.464 454 L N 0.918 122.207 121.223 0.111 0.000 2.141 454 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 454 L C 1.402 178.340 176.870 0.113 0.000 1.094 454 L CA 0.463 55.374 54.840 0.119 0.000 0.763 454 L CB -0.293 41.859 42.059 0.154 0.000 0.908 454 L HN 0.311 nan 8.230 nan 0.000 0.437 455 Q N 0.374 120.246 119.800 0.120 0.000 2.269 455 Q HA 0.042 4.382 4.340 -0.000 0.000 0.300 455 Q C 1.092 177.148 176.000 0.093 0.000 1.070 455 Q CA 0.981 56.857 55.803 0.122 0.000 0.957 455 Q CB 0.363 29.166 28.738 0.107 0.000 1.131 455 Q HN 0.390 nan 8.270 nan 0.000 0.377 456 G N 3.685 112.547 108.800 0.104 0.000 2.199 456 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 456 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 456 G C 0.597 175.533 174.900 0.061 0.000 0.982 456 G CA 0.390 45.540 45.100 0.083 0.000 0.632 456 G HN 0.702 nan 8.290 nan 0.000 0.529 457 I N 1.511 122.117 120.570 0.061 0.000 2.163 457 I HA 0.135 4.305 4.170 -0.000 0.000 0.240 457 I C 2.170 178.292 176.117 0.009 0.000 1.081 457 I CA 1.109 62.430 61.300 0.035 0.000 1.353 457 I CB -0.426 37.599 38.000 0.042 0.000 1.054 457 I HN 0.424 nan 8.210 nan 0.000 0.407 458 A N 1.614 124.451 122.820 0.028 0.000 2.440 458 A HA 0.214 4.534 4.320 -0.000 0.000 0.251 458 A C 0.500 177.990 177.584 -0.156 0.000 1.089 458 A CA -0.025 52.000 52.037 -0.020 0.000 0.779 458 A CB 0.011 19.044 19.000 0.055 0.000 1.022 458 A HN 0.565 nan 8.150 nan 0.000 0.492 459 Q N 0.981 120.579 119.800 -0.336 0.000 2.052 459 Q HA 0.235 4.575 4.340 -0.000 0.000 0.250 459 Q C -0.563 175.057 176.000 -0.633 0.000 0.851 459 Q CA -0.376 55.035 55.803 -0.653 0.000 1.029 459 Q CB -0.108 28.447 28.738 -0.305 0.000 1.274 459 Q HN 0.626 nan 8.270 nan 0.000 0.411 460 Q N 1.638 121.143 119.800 -0.492 0.000 2.322 460 Q HA 0.360 4.700 4.340 -0.000 0.000 0.265 460 Q C -0.960 174.980 176.000 -0.101 0.000 0.985 460 Q CA -0.215 55.451 55.803 -0.229 0.000 0.849 460 Q CB 1.164 29.846 28.738 -0.095 0.000 1.274 460 Q HN 0.164 nan 8.270 nan 0.000 0.449 461 N N 1.699 120.422 118.700 0.038 0.000 2.508 461 N HA 0.160 4.900 4.740 -0.000 0.000 0.264 461 N C -0.625 175.004 175.510 0.199 0.000 1.216 461 N CA 0.136 53.330 53.050 0.241 0.000 0.943 461 N CB 0.975 39.593 38.487 0.218 0.000 1.113 461 N HN 0.550 nan 8.380 nan 0.000 0.447 462 S N 0.620 116.478 115.700 0.263 0.000 2.669 462 S HA 0.270 4.740 4.470 -0.000 0.000 0.270 462 S C -0.002 174.707 174.600 0.183 0.000 1.225 462 S CA -0.619 57.714 58.200 0.222 0.000 0.991 462 S CB 0.497 63.844 63.200 0.244 0.000 0.987 462 S HN 0.409 nan 8.310 nan 0.000 0.552 463 F N 2.838 122.804 119.950 0.027 0.000 2.578 463 F HA 0.158 4.685 4.527 -0.000 0.000 0.381 463 F C 1.293 177.029 175.800 -0.107 0.000 1.069 463 F CA -0.211 57.777 58.000 -0.021 0.000 1.231 463 F CB 0.298 39.315 39.000 0.029 0.000 1.086 463 F HN 0.638 nan 8.300 nan 0.000 0.564 464 K N 3.833 123.759 120.400 -0.790 0.000 2.412 464 K HA 0.090 4.410 4.320 -0.000 0.000 0.202 464 K C 0.987 177.074 176.600 -0.855 0.000 1.102 464 K CA 0.043 55.781 56.287 -0.916 0.000 1.027 464 K CB -0.106 31.502 32.500 -1.487 0.000 0.931 464 K HN 0.577 nan 8.250 nan 0.000 0.557 465 H N 0.910 119.418 119.070 -0.937 0.000 2.545 465 H HA 0.074 4.630 4.556 -0.000 0.000 0.282 465 H C 0.256 175.273 175.328 -0.517 0.000 1.020 465 H CA 1.272 56.943 56.048 -0.628 0.000 1.243 465 H CB 0.565 30.046 29.762 -0.468 0.000 1.377 465 H HN 0.314 nan 8.280 nan 0.000 0.581 466 T N 0.000 114.299 114.554 -0.425 0.000 3.816 466 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 466 T CA 0.000 62.047 62.100 -0.088 0.000 1.349 466 T CB 0.000 68.865 68.868 -0.004 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658