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 3k4c_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWGCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPF 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.289 176.300 -0.018 0.000 1.140 43 M CA 0.000 55.270 55.300 -0.050 0.000 0.988 43 M CB 0.000 32.247 32.600 -0.588 0.000 1.302 44 D N 3.342 123.793 120.400 0.085 0.000 2.377 44 D HA 0.324 4.964 4.640 -0.000 0.000 0.245 44 D C 1.004 177.262 176.300 -0.071 0.000 1.196 44 D CA -0.134 53.795 54.000 -0.118 0.000 0.962 44 D CB 0.903 41.420 40.800 -0.472 0.000 1.127 44 D HN 0.573 nan 8.370 nan 0.000 0.471 45 I N -1.124 119.386 120.570 -0.101 0.000 3.228 45 I HA 0.094 4.264 4.170 -0.000 0.000 0.279 45 I C 0.746 176.861 176.117 -0.002 0.000 1.221 45 I CA 0.326 61.625 61.300 -0.002 0.000 1.458 45 I CB -0.651 37.360 38.000 0.018 0.000 1.105 45 I HN 0.052 nan 8.210 nan 0.000 0.445 46 K N 0.549 120.827 120.400 -0.203 0.000 2.376 46 K HA 0.572 4.892 4.320 -0.000 0.000 0.257 46 K C -1.658 174.649 176.600 -0.489 0.000 0.939 46 K CA -0.464 55.712 56.287 -0.185 0.000 0.809 46 K CB 1.024 33.457 32.500 -0.111 0.000 1.121 46 K HN -0.014 nan 8.250 nan 0.000 0.425 47 Y N 1.064 121.370 120.300 0.011 0.000 2.634 47 Y HA 0.259 4.809 4.550 -0.000 0.000 0.340 47 Y C 0.611 176.503 175.900 -0.013 0.000 1.058 47 Y CA -0.709 57.392 58.100 0.003 0.000 1.081 47 Y CB 1.929 40.391 38.460 0.004 0.000 1.295 47 Y HN 0.632 nan 8.280 nan 0.000 0.487 48 D N 0.022 120.526 120.400 0.174 0.000 2.137 48 D HA 0.044 4.684 4.640 -0.000 0.000 0.202 48 D C -0.314 175.989 176.300 0.006 0.000 0.970 48 D CA 1.381 55.459 54.000 0.130 0.000 0.837 48 D CB 0.309 41.267 40.800 0.263 0.000 0.981 48 D HN 0.099 nan 8.370 nan 0.000 0.475 49 V N 1.017 120.932 119.914 0.002 0.000 2.760 49 V HA 0.393 4.513 4.120 -0.000 0.000 0.309 49 V C -0.386 175.630 176.094 -0.129 0.000 1.077 49 V CA -1.082 61.128 62.300 -0.150 0.000 0.910 49 V CB 2.613 34.323 31.823 -0.188 0.000 1.008 49 V HN -0.010 nan 8.190 nan 0.000 0.424 50 V N 2.634 122.432 119.914 -0.194 0.000 2.540 50 V HA 0.746 4.866 4.120 -0.000 0.000 0.302 50 V C -0.680 175.377 176.094 -0.061 0.000 1.035 50 V CA -0.581 61.666 62.300 -0.089 0.000 0.873 50 V CB 1.675 33.517 31.823 0.033 0.000 0.992 50 V HN 0.692 nan 8.190 nan 0.000 0.428 51 I N 4.351 124.907 120.570 -0.024 0.000 2.406 51 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 51 I C -0.596 175.552 176.117 0.051 0.000 0.999 51 I CA -0.979 60.290 61.300 -0.051 0.000 1.124 51 I CB 2.256 40.209 38.000 -0.080 0.000 1.289 51 I HN 0.425 nan 8.210 nan 0.000 0.441 52 V N 5.441 125.368 119.914 0.021 0.000 2.333 52 V HA 0.755 4.875 4.120 -0.000 0.000 0.274 52 V C 0.464 176.568 176.094 0.016 0.000 1.028 52 V CA -0.263 62.070 62.300 0.055 0.000 0.851 52 V CB 0.562 32.393 31.823 0.013 0.000 1.000 52 V HN 1.074 nan 8.190 nan 0.000 0.456 53 G N 4.057 112.881 108.800 0.040 0.000 3.055 53 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.686 53 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.686 53 G C 0.012 174.929 174.900 0.028 0.000 1.087 53 G CA -0.235 44.880 45.100 0.025 0.000 0.779 53 G HN 1.309 nan 8.290 nan 0.000 0.599 54 S N 1.184 116.904 115.700 0.033 0.000 2.561 54 S HA 0.600 5.070 4.470 -0.000 0.000 0.245 54 S C 1.319 175.935 174.600 0.028 0.000 1.001 54 S CA 0.718 58.945 58.200 0.045 0.000 1.002 54 S CB 0.631 63.867 63.200 0.061 0.000 0.805 54 S HN 1.909 nan 8.310 nan 0.000 0.458 55 G N 2.640 111.448 108.800 0.013 0.000 2.570 55 G HA2 0.400 4.359 3.960 -0.000 0.000 0.276 55 G HA3 0.400 4.359 3.960 -0.000 0.000 0.276 55 G C -1.218 173.672 174.900 -0.017 0.000 1.346 55 G CA -1.299 43.794 45.100 -0.011 0.000 1.034 55 G HN 0.244 nan 8.290 nan 0.000 0.512 56 P HA -0.039 nan 4.420 nan 0.000 0.221 56 P C 1.709 178.971 177.300 -0.063 0.000 1.150 56 P CA 0.675 63.744 63.100 -0.052 0.000 0.800 56 P CB 0.218 31.904 31.700 -0.023 0.000 0.787 57 I N 0.211 120.774 120.570 -0.011 0.000 2.333 57 I HA -0.044 4.126 4.170 -0.000 0.000 0.246 57 I C 2.709 178.891 176.117 0.108 0.000 1.106 57 I CA 1.537 62.859 61.300 0.038 0.000 1.411 57 I CB -2.256 35.793 38.000 0.083 0.000 1.082 57 I HN -0.005 nan 8.210 nan 0.000 0.420 58 G N 0.454 109.294 108.800 0.067 0.000 2.440 58 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 58 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 58 G C 1.797 176.699 174.900 0.003 0.000 1.154 58 G CA 1.077 46.206 45.100 0.048 0.000 0.767 58 G HN 0.402 nan 8.290 nan 0.000 0.552 59 C N 0.612 119.891 119.300 -0.036 0.000 2.419 59 C HA 0.007 4.467 4.460 -0.000 0.000 0.281 59 C C 3.209 178.082 174.990 -0.196 0.000 1.336 59 C CA 1.447 60.403 59.018 -0.105 0.000 1.770 59 C CB -1.012 26.719 27.740 -0.015 0.000 1.929 59 C HN 0.459 nan 8.230 nan 0.000 0.509 60 T N -0.096 114.370 114.554 -0.146 0.000 2.746 60 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 60 T C 1.437 175.994 174.700 -0.238 0.000 1.039 60 T CA 1.590 63.577 62.100 -0.188 0.000 1.142 60 T CB -0.397 68.377 68.868 -0.156 0.000 0.866 60 T HN 0.585 nan 8.240 nan 0.000 0.444 61 Y N 1.468 121.637 120.300 -0.219 0.000 2.181 61 Y HA -0.039 4.511 4.550 -0.000 0.000 0.288 61 Y C 2.753 178.441 175.900 -0.354 0.000 1.146 61 Y CA 0.869 58.819 58.100 -0.251 0.000 1.164 61 Y CB -0.611 37.719 38.460 -0.217 0.000 0.982 61 Y HN 0.195 nan 8.280 nan 0.000 0.515 62 A N 0.246 122.869 122.820 -0.328 0.000 1.877 62 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 62 A C 2.287 179.305 177.584 -0.943 0.000 1.186 62 A CA 1.794 53.380 52.037 -0.752 0.000 0.620 62 A CB -0.736 17.541 19.000 -1.204 0.000 0.822 62 A HN 0.421 nan 8.150 nan 0.000 0.443 63 R N -0.387 119.635 120.500 -0.797 0.000 2.091 63 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 63 R C 1.974 178.083 176.300 -0.319 0.000 1.136 63 R CA 1.730 57.527 56.100 -0.505 0.000 0.959 63 R CB -0.245 29.795 30.300 -0.433 0.000 0.856 63 R HN 0.571 nan 8.270 nan 0.000 0.437 64 E N 0.416 120.452 120.200 -0.274 0.000 2.072 64 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 64 E C 2.126 178.660 176.600 -0.110 0.000 0.985 64 E CA 1.189 57.497 56.400 -0.154 0.000 0.801 64 E CB -0.034 29.570 29.700 -0.160 0.000 0.750 64 E HN 0.424 nan 8.360 nan 0.000 0.452 65 L N 0.246 121.377 121.223 -0.154 0.000 2.202 65 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 65 L C 2.542 179.462 176.870 0.084 0.000 1.083 65 L CA 0.235 55.036 54.840 -0.065 0.000 0.790 65 L CB -0.339 41.572 42.059 -0.246 0.000 0.942 65 L HN -0.067 nan 8.230 nan 0.000 0.452 66 V N 0.824 120.703 119.914 -0.058 0.000 2.287 66 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 66 V C 2.679 178.810 176.094 0.062 0.000 1.053 66 V CA 2.187 64.500 62.300 0.021 0.000 1.027 66 V CB -1.342 30.430 31.823 -0.084 0.000 0.646 66 V HN 0.570 nan 8.190 nan 0.000 0.447 67 G N -0.469 108.339 108.800 0.014 0.000 2.450 67 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 67 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 67 G C 1.475 176.399 174.900 0.040 0.000 1.130 67 G CA 0.881 45.995 45.100 0.023 0.000 0.760 67 G HN 0.661 nan 8.290 nan 0.000 0.557 68 A N -0.446 122.428 122.820 0.091 0.000 2.238 68 A HA 0.482 4.802 4.320 -0.000 0.000 0.208 68 A C 1.912 179.516 177.584 0.032 0.000 1.177 68 A CA 1.215 53.319 52.037 0.113 0.000 0.804 68 A CB -0.435 18.711 19.000 0.243 0.000 0.823 68 A HN 1.588 nan 8.150 nan 0.000 0.482 69 G N -2.355 106.475 108.800 0.049 0.000 2.157 69 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.239 69 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.239 69 G C -0.067 174.795 174.900 -0.062 0.000 0.982 69 G CA 0.076 45.157 45.100 -0.032 0.000 0.650 69 G HN 0.391 nan 8.290 nan 0.000 0.527 70 Y N 0.511 120.841 120.300 0.049 0.000 2.336 70 Y HA 0.450 5.000 4.550 -0.000 0.000 0.331 70 Y C 1.088 177.044 175.900 0.092 0.000 1.211 70 Y CA -0.020 58.114 58.100 0.056 0.000 1.346 70 Y CB 0.762 39.234 38.460 0.019 0.000 1.271 70 Y HN 0.084 nan 8.280 nan 0.000 0.538 71 K N 2.715 123.259 120.400 0.240 0.000 2.310 71 K HA 0.435 4.755 4.320 -0.000 0.000 0.290 71 K C -1.638 175.121 176.600 0.264 0.000 1.077 71 K CA -0.127 56.297 56.287 0.227 0.000 0.922 71 K CB 0.092 32.686 32.500 0.157 0.000 1.057 71 K HN 0.504 nan 8.250 nan 0.000 0.479 72 V N 3.307 123.358 119.914 0.228 0.000 2.540 72 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 72 V C -0.500 175.527 176.094 -0.111 0.000 1.035 72 V CA -0.923 61.447 62.300 0.116 0.000 0.873 72 V CB 1.508 33.445 31.823 0.190 0.000 0.992 72 V HN 0.906 nan 8.190 nan 0.000 0.428 73 A N 5.669 128.260 122.820 -0.382 0.000 2.355 73 A HA 0.974 5.294 4.320 -0.000 0.000 0.324 73 A C -0.687 176.568 177.584 -0.548 0.000 1.117 73 A CA -0.640 50.933 52.037 -0.774 0.000 0.785 73 A CB 1.709 19.905 19.000 -1.340 0.000 1.254 73 A HN 0.923 nan 8.150 nan 0.000 0.453 74 M N 1.954 121.138 119.600 -0.693 0.000 2.393 74 M HA 0.751 5.231 4.480 -0.000 0.000 0.299 74 M C -2.198 173.773 176.300 -0.547 0.000 1.103 74 M CA -0.423 54.659 55.300 -0.363 0.000 0.910 74 M CB 1.335 33.910 32.600 -0.041 0.000 1.659 74 M HN 0.593 nan 8.290 nan 0.000 0.445 75 F N 2.154 122.094 119.950 -0.017 0.000 2.495 75 F HA 0.569 5.096 4.527 -0.000 0.000 0.327 75 F C -0.214 175.582 175.800 -0.006 0.000 1.103 75 F CA -0.495 57.513 58.000 0.013 0.000 0.949 75 F CB 1.558 40.554 39.000 -0.006 0.000 1.142 75 F HN 0.460 nan 8.300 nan 0.000 0.457 76 D N 2.755 123.248 120.400 0.155 0.000 2.879 76 D HA 0.241 4.881 4.640 -0.000 0.000 0.236 76 D C 0.551 176.873 176.300 0.036 0.000 1.171 76 D CA -0.339 53.701 54.000 0.067 0.000 0.868 76 D CB 2.562 43.383 40.800 0.036 0.000 1.598 76 D HN 0.638 nan 8.370 nan 0.000 0.497 77 I N 1.855 122.400 120.570 -0.043 0.000 2.493 77 I HA 0.005 4.175 4.170 -0.000 0.000 0.254 77 I C 1.121 177.193 176.117 -0.074 0.000 1.160 77 I CA 0.866 62.096 61.300 -0.118 0.000 1.445 77 I CB 0.188 38.002 38.000 -0.309 0.000 1.086 77 I HN 0.329 nan 8.210 nan 0.000 0.433 78 G N -0.189 108.586 108.800 -0.041 0.000 2.557 78 G HA2 0.437 4.397 3.960 -0.000 0.000 0.302 78 G HA3 0.437 4.397 3.960 -0.000 0.000 0.302 78 G C -0.939 173.973 174.900 0.021 0.000 1.311 78 G CA -0.444 44.655 45.100 -0.001 0.000 1.030 78 G HN 0.272 nan 8.290 nan 0.000 0.509 79 E N -1.298 118.919 120.200 0.030 0.000 2.281 79 E HA 0.366 4.716 4.350 -0.000 0.000 0.262 79 E C -0.551 176.068 176.600 0.031 0.000 0.933 79 E CA -0.755 55.664 56.400 0.033 0.000 0.809 79 E CB 2.578 32.300 29.700 0.037 0.000 1.242 79 E HN 0.266 nan 8.360 nan 0.000 0.418 80 I N 2.726 123.313 120.570 0.029 0.000 2.494 80 I HA -0.012 4.158 4.170 -0.000 0.000 0.289 80 I C 0.137 176.276 176.117 0.037 0.000 1.106 80 I CA 0.534 61.853 61.300 0.031 0.000 1.369 80 I CB 0.052 38.066 38.000 0.023 0.000 1.410 80 I HN 0.523 nan 8.210 nan 0.000 0.523 81 D N 2.850 123.276 120.400 0.044 0.000 2.636 81 D HA 0.026 4.666 4.640 -0.000 0.000 0.270 81 D C 0.457 176.795 176.300 0.063 0.000 1.430 81 D CA -0.098 53.931 54.000 0.049 0.000 0.796 81 D CB 0.574 41.402 40.800 0.046 0.000 1.117 81 D HN 0.319 nan 8.370 nan 0.000 0.480 82 S N -0.571 115.171 115.700 0.070 0.000 2.993 82 S HA 0.537 5.007 4.470 -0.000 0.000 0.257 82 S C 0.567 175.228 174.600 0.101 0.000 0.997 82 S CA 0.340 58.595 58.200 0.092 0.000 1.191 82 S CB -0.051 63.197 63.200 0.081 0.000 1.143 82 S HN 0.802 nan 8.310 nan 0.000 0.655 83 G N 1.111 109.961 108.800 0.085 0.000 2.685 83 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.387 83 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.387 83 G C 0.226 175.158 174.900 0.054 0.000 1.324 83 G CA -0.292 44.853 45.100 0.076 0.000 0.878 83 G HN 0.347 nan 8.290 nan 0.000 0.527 84 L N -0.059 121.190 121.223 0.043 0.000 2.217 84 L HA 0.105 4.445 4.340 -0.000 0.000 0.211 84 L C 1.597 178.480 176.870 0.021 0.000 1.107 84 L CA 1.086 55.941 54.840 0.025 0.000 0.783 84 L CB -0.307 41.762 42.059 0.016 0.000 0.919 84 L HN 0.350 nan 8.230 nan 0.000 0.442 85 K N 1.718 122.140 120.400 0.036 0.000 2.250 85 K HA 0.333 4.653 4.320 -0.000 0.000 0.285 85 K C -0.345 176.278 176.600 0.038 0.000 1.097 85 K CA -0.206 56.100 56.287 0.030 0.000 0.913 85 K CB 0.874 33.405 32.500 0.051 0.000 1.179 85 K HN 0.084 nan 8.250 nan 0.000 0.462 86 I N 1.920 122.499 120.570 0.015 0.000 2.618 86 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 86 I C 1.340 177.479 176.117 0.036 0.000 1.146 86 I CA 0.712 62.026 61.300 0.023 0.000 1.425 86 I CB 0.456 38.461 38.000 0.008 0.000 1.383 86 I HN 0.960 nan 8.210 nan 0.000 0.562 87 G N 4.343 113.173 108.800 0.051 0.000 2.160 87 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.251 87 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.251 87 G C 0.304 175.254 174.900 0.084 0.000 1.008 87 G CA 0.114 45.249 45.100 0.058 0.000 0.724 87 G HN 0.966 nan 8.290 nan 0.000 0.514 88 A N -0.490 122.393 122.820 0.105 0.000 2.272 88 A HA 0.636 4.956 4.320 -0.000 0.000 0.275 88 A C 0.597 178.300 177.584 0.198 0.000 1.096 88 A CA -0.345 51.790 52.037 0.164 0.000 0.822 88 A CB 0.309 19.406 19.000 0.162 0.000 1.088 88 A HN 0.610 nan 8.150 nan 0.000 0.495 89 H N 0.369 119.567 119.070 0.214 0.000 2.929 89 H HA 0.095 4.651 4.556 -0.000 0.000 0.317 89 H C 0.699 176.140 175.328 0.188 0.000 1.031 89 H CA 0.769 56.950 56.048 0.222 0.000 1.466 89 H CB 0.818 30.722 29.762 0.237 0.000 1.482 89 H HN 0.659 nan 8.280 nan 0.000 0.561 90 K N 3.497 124.091 120.400 0.323 0.000 2.439 90 K HA -0.087 4.233 4.320 -0.000 0.000 0.197 90 K C 1.597 178.432 176.600 0.392 0.000 1.041 90 K CA 0.548 57.071 56.287 0.393 0.000 0.970 90 K CB 0.373 33.110 32.500 0.395 0.000 0.773 90 K HN 0.391 nan 8.250 nan 0.000 0.479 91 K N 0.892 121.403 120.400 0.184 0.000 2.459 91 K HA 0.015 4.335 4.320 -0.000 0.000 0.193 91 K C 0.276 176.869 176.600 -0.012 0.000 1.030 91 K CA 0.326 56.366 56.287 -0.413 0.000 1.026 91 K CB 0.275 32.157 32.500 -1.030 0.000 0.809 91 K HN -0.016 nan 8.250 nan 0.000 0.504 92 N N 1.700 120.503 118.700 0.172 0.000 2.843 92 N HA -0.012 4.728 4.740 -0.000 0.000 0.284 92 N C -0.911 174.847 175.510 0.413 0.000 1.274 92 N CA 0.262 53.447 53.050 0.226 0.000 1.045 92 N CB 0.648 39.319 38.487 0.306 0.000 1.370 92 N HN 0.226 nan 8.380 nan 0.000 0.525 93 T N -4.559 110.211 114.554 0.360 0.000 2.908 93 T HA 0.351 4.701 4.350 -0.000 0.000 0.290 93 T C 1.431 176.337 174.700 0.344 0.000 1.034 93 T CA -0.774 61.523 62.100 0.328 0.000 1.010 93 T CB 1.594 70.593 68.868 0.219 0.000 1.068 93 T HN -0.192 nan 8.240 nan 0.000 0.481 94 V N 1.314 121.389 119.914 0.269 0.000 2.282 94 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 94 V C 2.809 178.965 176.094 0.102 0.000 1.057 94 V CA 2.453 64.881 62.300 0.214 0.000 1.032 94 V CB -0.972 30.903 31.823 0.087 0.000 0.645 94 V HN 1.048 nan 8.190 nan 0.000 0.447 95 E N -0.675 119.518 120.200 -0.012 0.000 2.110 95 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 95 E C 1.976 178.482 176.600 -0.157 0.000 0.988 95 E CA 1.556 57.876 56.400 -0.133 0.000 0.804 95 E CB -0.259 29.286 29.700 -0.258 0.000 0.745 95 E HN 0.709 nan 8.360 nan 0.000 0.458 96 Y N 0.391 120.749 120.300 0.096 0.000 2.337 96 Y HA 0.036 4.586 4.550 -0.000 0.000 0.293 96 Y C 2.056 177.961 175.900 0.009 0.000 1.123 96 Y CA 0.999 59.138 58.100 0.065 0.000 1.201 96 Y CB -0.055 38.441 38.460 0.059 0.000 1.011 96 Y HN 0.130 nan 8.280 nan 0.000 0.545 97 Q N -0.221 119.660 119.800 0.135 0.000 2.389 97 Q HA -0.077 4.263 4.340 -0.000 0.000 0.204 97 Q C 1.491 177.535 176.000 0.073 0.000 0.944 97 Q CA 0.689 56.527 55.803 0.059 0.000 0.908 97 Q CB 0.022 28.734 28.738 -0.043 0.000 1.002 97 Q HN 0.426 nan 8.270 nan 0.000 0.493 98 K N 0.392 120.838 120.400 0.077 0.000 2.426 98 K HA 0.075 4.395 4.320 -0.000 0.000 0.193 98 K C 0.152 176.783 176.600 0.052 0.000 1.028 98 K CA 0.283 56.602 56.287 0.053 0.000 1.047 98 K CB 0.485 33.005 32.500 0.034 0.000 0.821 98 K HN 0.085 nan 8.250 nan 0.000 0.513 99 N N 0.915 119.666 118.700 0.085 0.000 2.666 99 N HA 0.020 4.760 4.740 -0.000 0.000 0.253 99 N C -0.092 175.526 175.510 0.180 0.000 1.621 99 N CA 0.039 53.153 53.050 0.105 0.000 0.785 99 N CB 0.974 39.517 38.487 0.094 0.000 1.332 99 N HN -0.022 nan 8.380 nan 0.000 0.514 100 I N 0.973 121.619 120.570 0.127 0.000 2.493 100 I HA -0.128 4.042 4.170 -0.000 0.000 0.254 100 I C 1.377 177.567 176.117 0.121 0.000 1.160 100 I CA 1.524 62.891 61.300 0.112 0.000 1.445 100 I CB 0.084 38.096 38.000 0.021 0.000 1.086 100 I HN 0.139 nan 8.210 nan 0.000 0.433 101 D N 0.504 120.964 120.400 0.101 0.000 2.264 101 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 101 D C 1.943 178.302 176.300 0.098 0.000 0.966 101 D CA 0.640 54.686 54.000 0.076 0.000 0.864 101 D CB -0.030 40.804 40.800 0.057 0.000 0.933 101 D HN 0.298 nan 8.370 nan 0.000 0.499 102 K N -0.043 120.460 120.400 0.173 0.000 2.288 102 K HA -0.056 4.264 4.320 -0.000 0.000 0.201 102 K C 1.748 178.434 176.600 0.143 0.000 1.048 102 K CA -0.016 56.392 56.287 0.201 0.000 0.956 102 K CB -0.388 32.308 32.500 0.328 0.000 0.746 102 K HN 0.201 nan 8.250 nan 0.000 0.461 103 F N 1.585 121.479 119.950 -0.093 0.000 2.333 103 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 103 F C 1.850 177.508 175.800 -0.237 0.000 1.083 103 F CA 0.538 58.314 58.000 -0.373 0.000 1.395 103 F CB -0.067 38.674 39.000 -0.431 0.000 1.056 103 F HN -0.296 nan 8.300 nan 0.000 0.529 104 V N 0.509 120.342 119.914 -0.135 0.000 2.392 104 V HA -0.381 3.739 4.120 -0.000 0.000 0.249 104 V C 1.844 177.811 176.094 -0.211 0.000 1.059 104 V CA 2.436 64.637 62.300 -0.166 0.000 1.051 104 V CB -1.000 30.775 31.823 -0.080 0.000 0.658 104 V HN 0.390 nan 8.190 nan 0.000 0.455 105 N N -0.059 118.539 118.700 -0.170 0.000 2.166 105 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 105 N C 1.674 177.048 175.510 -0.227 0.000 1.019 105 N CA 1.359 54.325 53.050 -0.141 0.000 0.856 105 N CB -0.320 38.136 38.487 -0.052 0.000 0.993 105 N HN 0.337 nan 8.380 nan 0.000 0.426 106 V N 1.382 121.037 119.914 -0.431 0.000 2.287 106 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 106 V C 2.072 177.889 176.094 -0.462 0.000 1.053 106 V CA 1.486 63.472 62.300 -0.524 0.000 1.027 106 V CB -0.549 30.681 31.823 -0.988 0.000 0.646 106 V HN 0.302 nan 8.190 nan 0.000 0.447 107 I N -0.284 119.948 120.570 -0.562 0.000 2.099 107 I HA -0.335 3.834 4.170 -0.000 0.000 0.239 107 I C 2.756 178.776 176.117 -0.162 0.000 1.066 107 I CA 1.814 62.919 61.300 -0.326 0.000 1.324 107 I CB -0.549 37.286 38.000 -0.276 0.000 1.037 107 I HN 0.343 nan 8.210 nan 0.000 0.401 108 Q N 0.499 120.217 119.800 -0.136 0.000 2.133 108 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 108 Q C 2.253 178.222 176.000 -0.053 0.000 0.991 108 Q CA 1.729 57.493 55.803 -0.065 0.000 0.867 108 Q CB -0.561 28.145 28.738 -0.053 0.000 0.911 108 Q HN 0.684 nan 8.270 nan 0.000 0.417 109 G N 0.923 109.675 108.800 -0.079 0.000 2.559 109 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 109 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 109 G C 1.035 175.916 174.900 -0.032 0.000 1.126 109 G CA 0.734 45.804 45.100 -0.049 0.000 0.778 109 G HN 0.505 nan 8.290 nan 0.000 0.543 110 Q N -0.775 118.999 119.800 -0.042 0.000 2.149 110 Q HA 0.377 4.717 4.340 -0.000 0.000 0.221 110 Q C 0.043 176.051 176.000 0.013 0.000 0.807 110 Q CA -0.268 55.528 55.803 -0.012 0.000 1.000 110 Q CB 0.230 28.954 28.738 -0.023 0.000 1.157 110 Q HN 0.257 nan 8.270 nan 0.000 0.487 111 L N 2.140 123.371 121.223 0.014 0.000 2.264 111 L HA 0.473 4.813 4.340 -0.000 0.000 0.287 111 L C -0.815 176.086 176.870 0.052 0.000 1.039 111 L CA -0.733 54.132 54.840 0.042 0.000 0.829 111 L CB 1.078 43.163 42.059 0.042 0.000 1.211 111 L HN 0.150 nan 8.230 nan 0.000 0.427 112 M N 2.459 122.103 119.600 0.074 0.000 2.061 112 M HA 0.237 4.717 4.480 -0.000 0.000 0.346 112 M C 0.225 176.578 176.300 0.089 0.000 1.112 112 M CA 0.055 55.405 55.300 0.083 0.000 1.021 112 M CB 1.426 34.090 32.600 0.105 0.000 1.530 112 M HN 0.339 nan 8.290 nan 0.000 0.437 113 S N 1.872 117.613 115.700 0.068 0.000 2.552 113 S HA 0.073 4.543 4.470 -0.000 0.000 0.289 113 S C 1.468 176.116 174.600 0.079 0.000 1.304 113 S CA -0.572 57.668 58.200 0.065 0.000 1.063 113 S CB 0.591 63.817 63.200 0.043 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.342 122.313 119.914 0.095 0.000 2.346 114 V HA 0.027 4.147 4.120 -0.000 0.000 0.244 114 V C 1.187 177.296 176.094 0.025 0.000 1.037 114 V CA 1.398 63.746 62.300 0.080 0.000 1.029 114 V CB 0.146 32.050 31.823 0.134 0.000 0.663 114 V HN 0.799 nan 8.190 nan 0.000 0.454 115 S N -0.385 115.348 115.700 0.054 0.000 2.776 115 S HA 0.519 4.989 4.470 -0.000 0.000 0.284 115 S C -1.137 173.471 174.600 0.014 0.000 1.160 115 S CA -0.465 57.729 58.200 -0.011 0.000 1.051 115 S CB 1.427 64.591 63.200 -0.062 0.000 1.037 115 S HN 0.005 nan 8.310 nan 0.000 0.485 116 V N 7.903 127.812 119.914 -0.008 0.000 2.347 116 V HA 0.553 4.673 4.120 -0.000 0.000 0.280 116 V C -1.925 174.155 176.094 -0.025 0.000 1.021 116 V CA -1.795 60.499 62.300 -0.011 0.000 0.847 116 V CB 1.433 33.251 31.823 -0.008 0.000 0.990 116 V HN 0.710 nan 8.190 nan 0.000 0.444 117 P HA 0.158 nan 4.420 nan 0.000 0.274 117 P C -0.145 177.131 177.300 -0.040 0.000 1.246 117 P CA -0.144 62.937 63.100 -0.032 0.000 0.795 117 P CB 0.955 32.636 31.700 -0.031 0.000 1.006 118 V N 2.505 122.398 119.914 -0.035 0.000 2.557 118 V HA -0.064 4.056 4.120 -0.000 0.000 0.301 118 V C 1.339 177.383 176.094 -0.085 0.000 1.026 118 V CA 0.314 62.589 62.300 -0.041 0.000 1.137 118 V CB -0.893 30.928 31.823 -0.002 0.000 0.917 118 V HN 0.623 nan 8.190 nan 0.000 0.484 119 N N 3.783 122.423 118.700 -0.100 0.000 2.497 119 N HA 0.091 4.831 4.740 -0.000 0.000 0.271 119 N C 0.632 175.963 175.510 -0.298 0.000 1.142 119 N CA 0.420 53.382 53.050 -0.146 0.000 0.965 119 N CB 1.543 39.974 38.487 -0.094 0.000 1.077 119 N HN 0.859 nan 8.380 nan 0.000 0.462 120 T N 0.844 115.115 114.554 -0.471 0.000 3.252 120 T HA 0.267 4.617 4.350 -0.000 0.000 0.286 120 T C 0.768 175.043 174.700 -0.708 0.000 1.013 120 T CA -0.456 60.991 62.100 -1.088 0.000 0.914 120 T CB -0.451 67.853 68.868 -0.940 0.000 1.131 120 T HN 0.287 nan 8.240 nan 0.000 0.529 121 L N 1.978 123.031 121.223 -0.282 0.000 2.455 121 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 121 L C 0.099 177.021 176.870 0.086 0.000 1.174 121 L CA -0.658 54.134 54.840 -0.080 0.000 0.869 121 L CB 0.804 42.844 42.059 -0.032 0.000 1.130 121 L HN 0.082 nan 8.230 nan 0.000 0.474 122 V N 5.074 125.056 119.914 0.114 0.000 2.368 122 V HA 0.127 4.247 4.120 -0.000 0.000 0.266 122 V C 0.219 176.379 176.094 0.110 0.000 1.045 122 V CA -0.393 62.017 62.300 0.184 0.000 0.899 122 V CB 1.355 33.270 31.823 0.153 0.000 1.006 122 V HN 0.419 nan 8.190 nan 0.000 0.470 123 V N 5.555 125.536 119.914 0.111 0.000 2.277 123 V HA 0.302 4.422 4.120 -0.000 0.000 0.269 123 V C 0.303 176.430 176.094 0.054 0.000 1.036 123 V CA -0.474 61.869 62.300 0.072 0.000 0.821 123 V CB 1.202 33.068 31.823 0.072 0.000 1.052 123 V HN 1.043 nan 8.190 nan 0.000 0.462 124 D N 1.993 122.417 120.400 0.041 0.000 2.501 124 D HA 0.010 4.650 4.640 -0.000 0.000 0.226 124 D C 1.170 177.481 176.300 0.018 0.000 1.198 124 D CA 0.148 54.162 54.000 0.024 0.000 0.830 124 D CB 0.375 41.188 40.800 0.021 0.000 1.014 124 D HN 0.543 nan 8.370 nan 0.000 0.496 125 T N -2.169 112.399 114.554 0.023 0.000 3.215 125 T HA 0.305 4.655 4.350 -0.000 0.000 0.271 125 T C 0.729 175.443 174.700 0.023 0.000 1.012 125 T CA -0.558 61.554 62.100 0.020 0.000 0.899 125 T CB -0.251 68.629 68.868 0.021 0.000 1.089 125 T HN 0.036 nan 8.240 nan 0.000 0.552 126 L N 2.017 123.255 121.223 0.026 0.000 2.483 126 L HA 0.272 4.612 4.340 -0.000 0.000 0.275 126 L C 1.170 178.053 176.870 0.022 0.000 1.220 126 L CA -0.490 54.369 54.840 0.031 0.000 0.833 126 L CB 0.336 42.417 42.059 0.038 0.000 1.102 126 L HN 0.250 nan 8.230 nan 0.000 0.490 127 S N 1.852 117.568 115.700 0.026 0.000 2.558 127 S HA 0.064 4.534 4.470 -0.000 0.000 0.288 127 S C -1.415 173.194 174.600 0.013 0.000 1.318 127 S CA -0.987 57.225 58.200 0.020 0.000 1.056 127 S CB 0.769 63.985 63.200 0.027 0.000 0.853 127 S HN 0.393 nan 8.310 nan 0.000 0.505 128 P HA -0.089 nan 4.420 nan 0.000 0.220 128 P C 1.367 178.667 177.300 -0.001 0.000 1.144 128 P CA 1.403 64.499 63.100 -0.007 0.000 0.800 128 P CB -0.130 31.566 31.700 -0.007 0.000 0.772 129 T N -5.614 108.948 114.554 0.014 0.000 3.043 129 T HA 0.082 4.432 4.350 -0.000 0.000 0.263 129 T C 1.029 175.759 174.700 0.051 0.000 1.094 129 T CA 0.101 62.217 62.100 0.027 0.000 1.127 129 T CB -0.612 68.275 68.868 0.031 0.000 0.905 129 T HN -0.098 nan 8.240 nan 0.000 0.490 130 S N 1.350 117.085 115.700 0.058 0.000 2.564 130 S HA 0.237 4.707 4.470 -0.000 0.000 0.278 130 S C -0.512 174.167 174.600 0.130 0.000 1.333 130 S CA -0.970 57.294 58.200 0.106 0.000 1.048 130 S CB 0.067 63.328 63.200 0.102 0.000 0.900 130 S HN 0.598 nan 8.310 nan 0.000 0.505 131 W N 3.174 124.485 121.300 0.019 0.000 2.417 131 W HA 0.120 4.780 4.660 0.000 0.000 0.332 131 W C 0.339 176.878 176.519 0.034 0.000 1.413 131 W CA 0.419 57.776 57.345 0.020 0.000 1.299 131 W CB 0.135 29.607 29.460 0.020 0.000 1.304 131 W HN 0.537 nan 8.180 nan 0.000 0.565 132 Q N 5.127 124.606 119.800 -0.536 0.000 2.323 132 Q HA 0.580 4.920 4.340 -0.000 0.000 0.271 132 Q C -0.631 174.952 176.000 -0.695 0.000 1.048 132 Q CA -0.873 54.712 55.803 -0.363 0.000 0.792 132 Q CB 1.734 30.339 28.738 -0.221 0.000 1.280 132 Q HN 0.588 nan 8.270 nan 0.000 0.441 133 A N 2.286 124.910 122.820 -0.327 0.000 2.462 133 A HA 0.235 4.555 4.320 -0.000 0.000 0.243 133 A C 0.500 177.928 177.584 -0.261 0.000 1.076 133 A CA 0.027 51.930 52.037 -0.225 0.000 0.773 133 A CB 0.631 19.747 19.000 0.194 0.000 1.010 133 A HN 0.884 nan 8.150 nan 0.000 0.493 134 S N -0.189 115.372 115.700 -0.233 0.000 2.503 134 S HA 0.090 4.560 4.470 -0.000 0.000 0.217 134 S C 0.976 175.477 174.600 -0.165 0.000 0.999 134 S CA 0.894 58.981 58.200 -0.188 0.000 0.914 134 S CB -0.088 63.017 63.200 -0.157 0.000 0.782 134 S HN 1.097 nan 8.310 nan 0.000 0.520 135 T N -1.351 113.149 114.554 -0.090 0.000 2.864 135 T HA 0.645 4.995 4.350 -0.000 0.000 0.289 135 T C -0.909 173.760 174.700 -0.051 0.000 1.082 135 T CA -0.760 61.286 62.100 -0.089 0.000 1.009 135 T CB 0.711 69.617 68.868 0.064 0.000 1.234 135 T HN -0.087 nan 8.240 nan 0.000 0.526 136 F N 2.905 122.941 119.950 0.143 0.000 2.605 136 F HA 0.397 4.924 4.527 -0.000 0.000 0.352 136 F C 0.323 176.191 175.800 0.113 0.000 1.236 136 F CA -1.891 56.159 58.000 0.083 0.000 1.267 136 F CB -0.932 38.085 39.000 0.030 0.000 1.632 136 F HN 0.553 nan 8.300 nan 0.000 0.639 137 F N -0.638 119.422 119.950 0.184 0.000 2.368 137 F HA 0.629 5.156 4.527 -0.000 0.000 0.308 137 F C -0.102 175.774 175.800 0.127 0.000 1.198 137 F CA -1.652 56.431 58.000 0.138 0.000 1.130 137 F CB -0.108 38.967 39.000 0.124 0.000 1.300 137 F HN -0.171 nan 8.300 nan 0.000 0.537 138 V N 2.773 122.840 119.914 0.254 0.000 2.421 138 V HA 0.272 4.392 4.120 -0.000 0.000 0.271 138 V C 0.137 176.231 176.094 -0.001 0.000 1.031 138 V CA -0.065 62.284 62.300 0.081 0.000 1.032 138 V CB -0.664 31.235 31.823 0.126 0.000 1.009 138 V HN 0.699 nan 8.190 nan 0.000 0.477 139 R N 3.842 124.234 120.500 -0.180 0.000 2.803 139 R HA 0.484 4.824 4.340 -0.000 0.000 0.276 139 R C 0.319 176.569 176.300 -0.083 0.000 0.978 139 R CA -0.879 55.089 56.100 -0.220 0.000 0.939 139 R CB 1.141 31.188 30.300 -0.421 0.000 1.179 139 R HN 0.710 nan 8.270 nan 0.000 0.472 140 N N 0.771 119.448 118.700 -0.038 0.000 2.721 140 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 140 N C 0.496 175.998 175.510 -0.013 0.000 1.072 140 N CA 1.525 54.562 53.050 -0.023 0.000 0.710 140 N CB -1.132 37.337 38.487 -0.031 0.000 0.993 140 N HN 1.076 nan 8.380 nan 0.000 0.547 141 G N -1.953 106.845 108.800 -0.004 0.000 2.176 141 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.253 141 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.253 141 G C 0.296 175.195 174.900 -0.001 0.000 0.979 141 G CA 0.870 45.971 45.100 0.003 0.000 0.641 141 G HN 1.293 nan 8.290 nan 0.000 0.530 142 S N -0.369 115.324 115.700 -0.012 0.000 2.576 142 S HA 0.429 4.898 4.470 -0.000 0.000 0.272 142 S C 0.156 174.749 174.600 -0.011 0.000 1.352 142 S CA 0.228 58.417 58.200 -0.018 0.000 1.021 142 S CB 1.581 64.761 63.200 -0.032 0.000 0.887 142 S HN 0.635 nan 8.310 nan 0.000 0.542 143 N N 1.905 120.591 118.700 -0.024 0.000 2.546 143 N HA 0.365 5.105 4.740 -0.000 0.000 0.238 143 N C -1.749 173.747 175.510 -0.023 0.000 0.984 143 N CA -2.537 50.491 53.050 -0.037 0.000 0.935 143 N CB 1.216 39.653 38.487 -0.084 0.000 1.122 143 N HN 0.354 nan 8.380 nan 0.000 0.510 144 P HA -0.048 nan 4.420 nan 0.000 0.230 144 P C 0.362 177.684 177.300 0.038 0.000 1.158 144 P CA 0.841 63.961 63.100 0.032 0.000 0.769 144 P CB 0.589 32.324 31.700 0.059 0.000 0.807 145 E N -0.088 120.120 120.200 0.012 0.000 2.274 145 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 145 E C 0.954 177.558 176.600 0.007 0.000 0.996 145 E CA 0.577 57.001 56.400 0.040 0.000 0.840 145 E CB -0.191 29.468 29.700 -0.068 0.000 0.772 145 E HN 0.312 nan 8.360 nan 0.000 0.491 146 Q N 2.406 122.174 119.800 -0.054 0.000 2.323 146 Q HA 0.017 4.357 4.340 -0.000 0.000 0.257 146 Q C -0.781 175.222 176.000 0.006 0.000 1.022 146 Q CA -0.171 55.599 55.803 -0.055 0.000 0.919 146 Q CB 0.623 29.317 28.738 -0.074 0.000 1.220 146 Q HN -0.188 nan 8.270 nan 0.000 0.427 147 D N 5.947 126.370 120.400 0.038 0.000 2.401 147 D HA 0.020 4.660 4.640 -0.000 0.000 0.254 147 D C -1.702 174.610 176.300 0.020 0.000 1.192 147 D CA -1.761 52.262 54.000 0.038 0.000 0.885 147 D CB 1.278 42.112 40.800 0.058 0.000 1.147 147 D HN 0.435 nan 8.370 nan 0.000 0.478 148 P HA -0.050 nan 4.420 nan 0.000 0.229 148 P C 1.246 178.544 177.300 -0.004 0.000 1.160 148 P CA 0.608 63.703 63.100 -0.008 0.000 0.777 148 P CB 0.326 32.010 31.700 -0.026 0.000 0.814 149 L N -1.122 120.102 121.223 0.002 0.000 2.592 149 L HA 0.183 4.523 4.340 -0.000 0.000 0.227 149 L C 1.417 178.293 176.870 0.010 0.000 1.127 149 L CA 0.264 55.105 54.840 0.001 0.000 0.884 149 L CB -0.181 41.876 42.059 -0.003 0.000 1.065 149 L HN -0.168 nan 8.230 nan 0.000 0.457 150 R N -0.239 120.276 120.500 0.026 0.000 2.734 150 R HA 0.205 4.545 4.340 -0.000 0.000 0.395 150 R C -0.394 175.954 176.300 0.080 0.000 1.096 150 R CA -0.272 55.853 56.100 0.041 0.000 1.071 150 R CB 0.326 30.654 30.300 0.046 0.000 1.348 150 R HN 0.047 nan 8.270 nan 0.000 0.600 151 N N 0.523 119.250 118.700 0.045 0.000 2.483 151 N HA 0.376 5.116 4.740 -0.000 0.000 0.285 151 N C -0.695 174.731 175.510 -0.140 0.000 1.210 151 N CA -0.634 52.431 53.050 0.025 0.000 0.931 151 N CB 1.178 39.676 38.487 0.018 0.000 1.220 151 N HN 0.076 nan 8.380 nan 0.000 0.542 152 L N 2.005 122.988 121.223 -0.399 0.000 2.494 152 L HA 0.225 4.565 4.340 -0.000 0.000 0.251 152 L C 1.366 178.050 176.870 -0.310 0.000 1.119 152 L CA -0.298 54.190 54.840 -0.587 0.000 1.026 152 L CB 0.455 41.791 42.059 -1.206 0.000 1.370 152 L HN 0.630 nan 8.230 nan 0.000 0.426 153 S N -0.439 115.171 115.700 -0.149 0.000 2.442 153 S HA -0.106 4.364 4.470 -0.000 0.000 0.236 153 S C 1.761 176.324 174.600 -0.062 0.000 1.007 153 S CA 0.937 59.098 58.200 -0.066 0.000 0.965 153 S CB -0.111 63.062 63.200 -0.044 0.000 0.773 153 S HN 0.639 nan 8.310 nan 0.000 0.504 154 G N 0.355 109.097 108.800 -0.098 0.000 2.712 154 G HA2 0.090 4.050 3.960 -0.000 0.000 0.212 154 G HA3 0.090 4.050 3.960 -0.000 0.000 0.212 154 G C 0.582 175.450 174.900 -0.053 0.000 1.142 154 G CA -0.299 44.759 45.100 -0.070 0.000 0.789 154 G HN 0.370 nan 8.290 nan 0.000 0.535 155 Q N 0.576 120.318 119.800 -0.096 0.000 2.330 155 Q HA 0.481 4.821 4.340 -0.000 0.000 0.279 155 Q C -0.062 175.970 176.000 0.053 0.000 1.024 155 Q CA 0.383 56.164 55.803 -0.036 0.000 0.900 155 Q CB 1.350 30.041 28.738 -0.079 0.000 1.221 155 Q HN 0.304 nan 8.270 nan 0.000 0.396 156 A N 1.799 124.664 122.820 0.075 0.000 2.609 156 A HA 0.745 5.065 4.320 -0.000 0.000 0.291 156 A C -1.089 176.562 177.584 0.111 0.000 1.096 156 A CA -0.508 51.584 52.037 0.092 0.000 0.684 156 A CB 1.331 20.377 19.000 0.077 0.000 1.282 156 A HN 0.479 nan 8.150 nan 0.000 0.412 157 V N -2.289 117.703 119.914 0.131 0.000 3.040 157 V HA 0.942 5.062 4.120 -0.000 0.000 0.312 157 V C -0.478 175.693 176.094 0.128 0.000 1.115 157 V CA -0.529 61.866 62.300 0.159 0.000 0.998 157 V CB 1.562 33.548 31.823 0.273 0.000 1.042 157 V HN 0.912 nan 8.190 nan 0.000 0.433 158 T N 2.648 117.266 114.554 0.108 0.000 2.824 158 T HA 0.587 4.937 4.350 -0.000 0.000 0.282 158 T C -0.334 174.394 174.700 0.048 0.000 0.993 158 T CA -0.480 61.661 62.100 0.068 0.000 0.967 158 T CB 1.267 70.164 68.868 0.048 0.000 0.960 158 T HN 0.753 nan 8.240 nan 0.000 0.441 159 R N 2.610 123.129 120.500 0.030 0.000 2.396 159 R HA 0.594 4.934 4.340 -0.000 0.000 0.292 159 R C -0.823 175.483 176.300 0.009 0.000 1.240 159 R CA -0.523 55.572 56.100 -0.008 0.000 1.270 159 R CB 0.740 31.018 30.300 -0.035 0.000 1.108 159 R HN 0.527 nan 8.270 nan 0.000 0.573 160 V N -1.652 118.268 119.914 0.009 0.000 3.120 160 V HA 0.427 4.547 4.120 -0.000 0.000 0.303 160 V C -0.094 176.009 176.094 0.016 0.000 1.238 160 V CA -1.167 61.143 62.300 0.017 0.000 1.008 160 V CB 1.906 33.741 31.823 0.021 0.000 1.064 160 V HN 0.105 nan 8.190 nan 0.000 0.434 161 V N 3.169 123.097 119.914 0.023 0.000 2.599 161 V HA 0.519 4.639 4.120 -0.000 0.000 0.300 161 V C 1.683 177.794 176.094 0.028 0.000 1.034 161 V CA 1.978 64.295 62.300 0.028 0.000 1.115 161 V CB 0.150 31.992 31.823 0.033 0.000 0.934 161 V HN 2.065 nan 8.190 nan 0.000 0.485 162 G N 3.308 112.123 108.800 0.026 0.000 2.213 162 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.226 162 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.226 162 G C 0.988 175.878 174.900 -0.016 0.000 0.992 162 G CA 0.249 45.358 45.100 0.015 0.000 0.632 162 G HN 2.098 nan 8.290 nan 0.000 0.511 163 G N 0.159 108.956 108.800 -0.006 0.000 2.581 163 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.291 163 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.291 163 G C 1.162 176.045 174.900 -0.027 0.000 1.277 163 G CA 1.232 46.326 45.100 -0.010 0.000 0.959 163 G HN 1.098 nan 8.290 nan 0.000 0.554 164 M N 1.543 121.125 119.600 -0.031 0.000 2.549 164 M HA -0.013 4.467 4.480 -0.000 0.000 0.260 164 M C 2.735 178.975 176.300 -0.100 0.000 1.076 164 M CA 1.689 56.977 55.300 -0.020 0.000 1.090 164 M CB -0.221 32.397 32.600 0.031 0.000 1.418 164 M HN 0.738 nan 8.290 nan 0.000 0.486 165 S N -0.395 115.148 115.700 -0.262 0.000 2.547 165 S HA -0.089 4.380 4.470 -0.000 0.000 0.235 165 S C 1.695 176.217 174.600 -0.130 0.000 0.980 165 S CA 1.323 59.229 58.200 -0.490 0.000 0.941 165 S CB -0.989 61.881 63.200 -0.550 0.000 0.763 165 S HN 0.590 nan 8.310 nan 0.000 0.532 166 T N -2.323 112.164 114.554 -0.112 0.000 3.085 166 T HA 0.464 4.814 4.350 -0.000 0.000 0.263 166 T C 1.266 175.763 174.700 -0.338 0.000 1.127 166 T CA 0.568 62.580 62.100 -0.148 0.000 1.103 166 T CB -0.066 68.782 68.868 -0.032 0.000 0.921 166 T HN 0.615 nan 8.240 nan 0.000 0.510 167 A N -0.031 122.678 122.820 -0.185 0.000 2.653 167 A HA 0.421 4.741 4.320 -0.000 0.000 0.248 167 A C 0.606 178.331 177.584 0.235 0.000 1.211 167 A CA -0.733 51.332 52.037 0.048 0.000 0.991 167 A CB -0.110 18.924 19.000 0.057 0.000 1.252 167 A HN 0.610 nan 8.150 nan 0.000 0.593 168 W N -0.063 121.205 121.300 -0.052 0.000 1.975 168 W HA 0.508 5.168 4.660 -0.000 0.000 0.359 168 W C 0.700 177.221 176.519 0.004 0.000 1.363 168 W CA 0.052 57.414 57.345 0.029 0.000 1.376 168 W CB -0.535 28.954 29.460 0.048 0.000 1.231 168 W HN 0.125 nan 8.180 nan 0.000 0.641 169 G N -0.515 108.183 108.800 -0.170 0.000 2.880 169 G HA2 0.072 4.032 3.960 -0.000 0.000 0.209 169 G HA3 0.072 4.032 3.960 -0.000 0.000 0.209 169 G C 0.696 175.141 174.900 -0.758 0.000 1.157 169 G CA 0.574 45.373 45.100 -0.501 0.000 0.779 169 G HN 0.857 nan 8.290 nan 0.000 0.539 170 C N -0.943 117.522 119.300 -1.392 0.000 4.400 170 C HA -0.130 4.330 4.460 -0.000 0.000 0.275 170 C C 1.610 176.123 174.990 -0.795 0.000 1.391 170 C CA -0.805 57.178 59.018 -1.725 0.000 1.816 170 C CB -2.387 24.799 27.740 -0.923 0.000 1.404 170 C HN 0.890 nan 8.230 nan 0.000 0.754 171 A N 1.060 123.619 122.820 -0.434 0.000 2.404 171 A HA 0.568 4.888 4.320 -0.000 0.000 0.273 171 A C 0.748 178.255 177.584 -0.129 0.000 1.144 171 A CA 1.061 52.993 52.037 -0.174 0.000 0.806 171 A CB 0.206 19.183 19.000 -0.038 0.000 1.080 171 A HN 1.374 nan 8.150 nan 0.000 0.509 172 T N 1.517 116.008 114.554 -0.104 0.000 3.418 172 T HA 0.519 4.869 4.350 -0.000 0.000 0.315 172 T C -2.779 171.877 174.700 -0.073 0.000 1.447 172 T CA -1.457 60.612 62.100 -0.053 0.000 1.641 172 T CB 0.656 69.517 68.868 -0.012 0.000 0.904 172 T HN 0.438 nan 8.240 nan 0.000 0.640 173 P HA 0.399 nan 4.420 nan 0.000 0.277 173 P C -0.182 176.971 177.300 -0.244 0.000 1.240 173 P CA -0.628 62.381 63.100 -0.152 0.000 0.798 173 P CB 1.126 32.728 31.700 -0.162 0.000 0.979 174 R N 0.856 121.127 120.500 -0.382 0.000 2.582 174 R HA 0.397 4.737 4.340 -0.000 0.000 0.271 174 R C 0.058 176.229 176.300 -0.215 0.000 1.078 174 R CA -0.415 55.261 56.100 -0.708 0.000 1.127 174 R CB 0.186 29.938 30.300 -0.914 0.000 1.038 174 R HN 0.375 nan 8.270 nan 0.000 0.500 175 F N 1.801 121.523 119.950 -0.380 0.000 2.384 175 F HA 0.071 4.598 4.527 -0.000 0.000 0.338 175 F C 0.913 176.529 175.800 -0.306 0.000 1.103 175 F CA -1.532 56.274 58.000 -0.324 0.000 1.157 175 F CB 0.442 39.244 39.000 -0.330 0.000 1.167 175 F HN 0.540 nan 8.300 nan 0.000 0.529 176 D N 2.192 122.524 120.400 -0.113 0.000 2.411 176 D HA 0.157 4.797 4.640 -0.000 0.000 0.251 176 D C 1.050 177.262 176.300 -0.146 0.000 1.201 176 D CA -0.465 53.463 54.000 -0.120 0.000 0.996 176 D CB 0.554 41.297 40.800 -0.095 0.000 1.101 176 D HN 0.458 nan 8.370 nan 0.000 0.504 177 R N -0.218 120.223 120.500 -0.099 0.000 2.113 177 R HA -0.221 4.119 4.340 -0.000 0.000 0.244 177 R C 2.056 178.301 176.300 -0.092 0.000 1.142 177 R CA 1.920 57.972 56.100 -0.081 0.000 0.953 177 R CB -0.323 29.965 30.300 -0.020 0.000 0.860 177 R HN 0.661 nan 8.270 nan 0.000 0.438 178 E N 0.578 120.719 120.200 -0.099 0.000 2.171 178 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 178 E C 1.550 178.034 176.600 -0.192 0.000 0.997 178 E CA 1.333 57.675 56.400 -0.095 0.000 0.810 178 E CB 0.165 29.848 29.700 -0.028 0.000 0.738 178 E HN 0.438 nan 8.360 nan 0.000 0.467 179 Q N -0.684 118.912 119.800 -0.340 0.000 2.319 179 Q HA 0.124 4.464 4.340 -0.000 0.000 0.202 179 Q C 0.301 176.184 176.000 -0.195 0.000 0.896 179 Q CA -0.107 55.431 55.803 -0.443 0.000 0.942 179 Q CB 0.719 28.896 28.738 -0.935 0.000 1.083 179 Q HN -0.058 nan 8.270 nan 0.000 0.510 180 R N 1.945 122.384 120.500 -0.101 0.000 2.514 180 R HA 0.334 4.674 4.340 -0.000 0.000 0.301 180 R C -2.558 173.741 176.300 -0.003 0.000 0.962 180 R CA -2.055 53.992 56.100 -0.088 0.000 0.882 180 R CB 1.261 31.332 30.300 -0.382 0.000 1.143 180 R HN -0.106 nan 8.270 nan 0.000 0.452 181 P HA 0.106 nan 4.420 nan 0.000 0.276 181 P C -0.699 176.778 177.300 0.294 0.000 1.252 181 P CA -0.318 62.878 63.100 0.160 0.000 0.802 181 P CB 0.886 32.665 31.700 0.132 0.000 1.035 182 L N 1.727 123.082 121.223 0.220 0.000 2.349 182 L HA 0.203 4.543 4.340 -0.000 0.000 0.275 182 L C 1.637 178.635 176.870 0.214 0.000 1.115 182 L CA -0.308 54.721 54.840 0.314 0.000 0.820 182 L CB 0.398 42.680 42.059 0.372 0.000 1.135 182 L HN 0.338 nan 8.230 nan 0.000 0.445 183 L N 3.346 124.715 121.223 0.244 0.000 2.638 183 L HA 0.248 4.588 4.340 -0.000 0.000 0.232 183 L C -0.381 176.646 176.870 0.262 0.000 1.099 183 L CA 0.120 55.000 54.840 0.066 0.000 0.883 183 L CB 0.773 42.658 42.059 -0.289 0.000 1.136 183 L HN 0.305 nan 8.230 nan 0.000 0.492 184 V N 0.323 120.417 119.914 0.301 0.000 2.623 184 V HA 0.267 4.387 4.120 -0.000 0.000 0.304 184 V C -0.355 175.831 176.094 0.153 0.000 1.054 184 V CA -1.024 61.385 62.300 0.183 0.000 0.882 184 V CB 2.238 34.114 31.823 0.090 0.000 1.002 184 V HN 0.059 nan 8.190 nan 0.000 0.424 185 K N 2.605 122.975 120.400 -0.050 0.000 2.185 185 K HA 0.324 4.644 4.320 -0.000 0.000 0.271 185 K C -0.025 176.553 176.600 -0.036 0.000 1.013 185 K CA -0.297 55.929 56.287 -0.101 0.000 0.943 185 K CB 0.409 32.697 32.500 -0.354 0.000 0.998 185 K HN 0.802 nan 8.250 nan 0.000 0.468 186 D N 1.646 122.045 120.400 -0.000 0.000 2.837 186 D HA -0.192 4.448 4.640 -0.000 0.000 0.230 186 D C -0.613 175.696 176.300 0.014 0.000 1.152 186 D CA 1.260 55.262 54.000 0.003 0.000 0.736 186 D CB -0.780 40.008 40.800 -0.021 0.000 1.084 186 D HN 0.605 nan 8.370 nan 0.000 0.429 187 D N -1.383 119.038 120.400 0.034 0.000 2.634 187 D HA 0.379 5.019 4.640 -0.000 0.000 0.236 187 D C 0.914 177.250 176.300 0.061 0.000 1.323 187 D CA 0.203 54.226 54.000 0.038 0.000 0.884 187 D CB 0.376 41.193 40.800 0.027 0.000 1.496 187 D HN -0.009 nan 8.370 nan 0.000 0.525 188 A N 2.272 125.130 122.820 0.063 0.000 1.940 188 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 188 A C 1.654 179.288 177.584 0.083 0.000 1.176 188 A CA 1.508 53.592 52.037 0.079 0.000 0.631 188 A CB -0.023 19.016 19.000 0.065 0.000 0.814 188 A HN 0.440 nan 8.150 nan 0.000 0.446 189 D N -0.129 120.309 120.400 0.063 0.000 2.117 189 D HA 0.007 4.647 4.640 -0.000 0.000 0.198 189 D C 2.254 178.594 176.300 0.067 0.000 0.982 189 D CA 1.449 55.485 54.000 0.060 0.000 0.828 189 D CB -0.402 40.425 40.800 0.044 0.000 0.967 189 D HN 0.413 nan 8.370 nan 0.000 0.464 190 A N 0.710 123.566 122.820 0.059 0.000 1.898 190 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 190 A C 1.960 179.587 177.584 0.072 0.000 1.181 190 A CA 1.983 54.052 52.037 0.053 0.000 0.620 190 A CB -0.641 18.382 19.000 0.038 0.000 0.819 190 A HN 0.192 nan 8.150 nan 0.000 0.442 191 D N -0.262 120.202 120.400 0.108 0.000 2.117 191 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 191 D C 1.276 177.731 176.300 0.257 0.000 0.987 191 D CA 1.616 55.720 54.000 0.175 0.000 0.829 191 D CB -0.136 40.801 40.800 0.227 0.000 0.961 191 D HN 0.343 nan 8.370 nan 0.000 0.460 192 D N -0.374 120.151 120.400 0.209 0.000 2.117 192 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 192 D C 1.989 178.407 176.300 0.196 0.000 0.987 192 D CA 1.404 55.536 54.000 0.220 0.000 0.829 192 D CB -0.544 40.338 40.800 0.136 0.000 0.961 192 D HN 0.324 nan 8.370 nan 0.000 0.460 193 A N 0.614 123.507 122.820 0.122 0.000 1.933 193 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 193 A C 2.124 179.742 177.584 0.057 0.000 1.175 193 A CA 1.861 53.947 52.037 0.081 0.000 0.628 193 A CB -0.468 18.561 19.000 0.048 0.000 0.814 193 A HN 0.183 nan 8.150 nan 0.000 0.444 194 E N -1.013 119.200 120.200 0.023 0.000 2.072 194 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 194 E C 1.647 178.163 176.600 -0.140 0.000 0.985 194 E CA 1.331 57.673 56.400 -0.097 0.000 0.801 194 E CB -0.429 29.171 29.700 -0.166 0.000 0.750 194 E HN 0.726 nan 8.360 nan 0.000 0.452 195 W N 0.678 121.946 121.300 -0.054 0.000 2.388 195 W HA -0.043 4.617 4.660 -0.000 0.000 0.294 195 W C 2.048 178.567 176.519 -0.000 0.000 1.212 195 W CA 1.151 58.427 57.345 -0.116 0.000 1.271 195 W CB -0.276 29.157 29.460 -0.044 0.000 1.126 195 W HN 0.237 nan 8.180 nan 0.000 0.535 196 D N 0.110 120.693 120.400 0.305 0.000 2.117 196 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 196 D C 2.170 178.550 176.300 0.134 0.000 0.987 196 D CA 1.521 55.661 54.000 0.232 0.000 0.829 196 D CB -0.177 40.714 40.800 0.151 0.000 0.961 196 D HN -0.044 nan 8.370 nan 0.000 0.460 197 R N -0.224 120.308 120.500 0.053 0.000 2.070 197 R HA -0.103 4.237 4.340 -0.000 0.000 0.233 197 R C 2.469 178.736 176.300 -0.056 0.000 1.137 197 R CA 1.258 57.350 56.100 -0.013 0.000 0.945 197 R CB -0.375 29.898 30.300 -0.045 0.000 0.845 197 R HN 0.273 nan 8.270 nan 0.000 0.430 198 L N -0.474 120.682 121.223 -0.111 0.000 2.017 198 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 198 L C 2.387 179.201 176.870 -0.094 0.000 1.073 198 L CA 1.308 56.032 54.840 -0.193 0.000 0.745 198 L CB -0.609 41.231 42.059 -0.364 0.000 0.894 198 L HN 0.221 nan 8.230 nan 0.000 0.432 199 Y N 0.112 120.421 120.300 0.014 0.000 2.242 199 Y HA -0.209 4.341 4.550 -0.000 0.000 0.291 199 Y C 2.864 178.741 175.900 -0.039 0.000 1.137 199 Y CA 1.484 59.591 58.100 0.012 0.000 1.181 199 Y CB -1.033 37.462 38.460 0.058 0.000 0.989 199 Y HN 0.117 nan 8.280 nan 0.000 0.527 200 T N -0.174 114.451 114.554 0.118 0.000 2.746 200 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 200 T C 1.925 176.595 174.700 -0.050 0.000 1.039 200 T CA 1.479 63.602 62.100 0.039 0.000 1.142 200 T CB -0.118 68.765 68.868 0.025 0.000 0.866 200 T HN 0.266 nan 8.240 nan 0.000 0.444 201 K N 0.823 121.138 120.400 -0.143 0.000 2.057 201 K HA 0.070 4.390 4.320 -0.000 0.000 0.206 201 K C 2.688 178.947 176.600 -0.567 0.000 1.050 201 K CA 1.054 57.125 56.287 -0.361 0.000 0.935 201 K CB -0.270 31.958 32.500 -0.453 0.000 0.715 201 K HN 0.271 nan 8.250 nan 0.000 0.439 202 A N 1.741 124.348 122.820 -0.355 0.000 1.908 202 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 202 A C 1.905 179.484 177.584 -0.008 0.000 1.181 202 A CA 1.638 53.532 52.037 -0.238 0.000 0.627 202 A CB -0.441 18.543 19.000 -0.027 0.000 0.818 202 A HN 0.319 nan 8.150 nan 0.000 0.445 203 E N 0.188 120.430 120.200 0.070 0.000 2.085 203 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 203 E C 2.406 179.091 176.600 0.141 0.000 0.994 203 E CA 1.623 58.111 56.400 0.146 0.000 0.801 203 E CB -0.203 29.555 29.700 0.097 0.000 0.743 203 E HN 0.828 nan 8.360 nan 0.000 0.453 204 S N 0.143 115.879 115.700 0.061 0.000 2.368 204 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 204 S C 1.937 176.690 174.600 0.255 0.000 1.030 204 S CA 0.852 59.122 58.200 0.116 0.000 0.999 204 S CB -0.496 62.752 63.200 0.081 0.000 0.844 204 S HN 0.209 nan 8.310 nan 0.000 0.459 205 Y N 0.648 120.957 120.300 0.015 0.000 2.181 205 Y HA 0.129 4.679 4.550 -0.000 0.000 0.288 205 Y C 2.076 177.997 175.900 0.035 0.000 1.146 205 Y CA -0.135 57.941 58.100 -0.040 0.000 1.164 205 Y CB -1.157 37.197 38.460 -0.177 0.000 0.982 205 Y HN 0.294 nan 8.280 nan 0.000 0.515 206 F N 0.243 120.352 119.950 0.266 0.000 2.780 206 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 206 F C 0.822 176.735 175.800 0.188 0.000 1.146 206 F CA 0.197 58.343 58.000 0.244 0.000 1.428 206 F CB -0.334 38.828 39.000 0.270 0.000 1.115 206 F HN 0.005 nan 8.300 nan 0.000 0.583 207 Q N 0.414 120.409 119.800 0.325 0.000 2.468 207 Q HA -0.188 4.152 4.340 -0.000 0.000 0.289 207 Q C 0.083 176.175 176.000 0.154 0.000 1.299 207 Q CA 0.787 56.704 55.803 0.191 0.000 0.838 207 Q CB -2.684 26.143 28.738 0.149 0.000 1.195 207 Q HN 0.234 nan 8.270 nan 0.000 0.456 208 T N -0.105 114.555 114.554 0.177 0.000 2.940 208 T HA 0.453 4.803 4.350 -0.000 0.000 0.309 208 T C 0.803 175.538 174.700 0.058 0.000 1.056 208 T CA 0.564 62.727 62.100 0.105 0.000 1.137 208 T CB 1.357 70.295 68.868 0.117 0.000 0.976 208 T HN 0.499 nan 8.240 nan 0.000 0.547 209 G N 0.418 109.236 108.800 0.031 0.000 2.660 209 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 209 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 209 G C 0.002 174.913 174.900 0.018 0.000 1.432 209 G CA -0.528 44.582 45.100 0.016 0.000 0.807 209 G HN 0.654 nan 8.290 nan 0.000 0.485 210 T N -2.344 112.221 114.554 0.018 0.000 3.288 210 T HA 0.286 4.636 4.350 -0.000 0.000 0.293 210 T C 0.042 174.761 174.700 0.032 0.000 1.008 210 T CA 0.452 62.572 62.100 0.032 0.000 0.929 210 T CB 0.358 69.249 68.868 0.039 0.000 1.152 210 T HN 0.528 nan 8.240 nan 0.000 0.517 211 D N 0.084 120.488 120.400 0.006 0.000 2.582 211 D HA 0.133 4.773 4.640 -0.000 0.000 0.246 211 D C 1.117 177.367 176.300 -0.084 0.000 1.334 211 D CA -0.248 53.739 54.000 -0.021 0.000 0.805 211 D CB 0.045 40.828 40.800 -0.028 0.000 1.087 211 D HN 0.206 nan 8.370 nan 0.000 0.499 212 Q N -0.616 119.138 119.800 -0.075 0.000 2.378 212 Q HA 0.226 4.566 4.340 -0.000 0.000 0.205 212 Q C 0.153 175.837 176.000 -0.527 0.000 0.954 212 Q CA 0.811 56.452 55.803 -0.270 0.000 0.901 212 Q CB -0.093 28.482 28.738 -0.271 0.000 0.981 212 Q HN 0.275 nan 8.270 nan 0.000 0.483 213 F N -0.013 119.776 119.950 -0.268 0.000 2.735 213 F HA 0.227 4.754 4.527 -0.000 0.000 0.304 213 F C 1.267 176.887 175.800 -0.300 0.000 1.119 213 F CA -0.529 57.276 58.000 -0.325 0.000 1.280 213 F CB 0.294 39.021 39.000 -0.455 0.000 0.994 213 F HN -0.003 nan 8.300 nan 0.000 0.520 214 K N 0.354 120.675 120.400 -0.131 0.000 2.209 214 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 214 K C 0.785 177.249 176.600 -0.226 0.000 1.048 214 K CA 1.702 57.945 56.287 -0.073 0.000 0.940 214 K CB -0.140 32.295 32.500 -0.107 0.000 0.729 214 K HN 0.315 nan 8.250 nan 0.000 0.451 215 E N 1.474 121.428 120.200 -0.410 0.000 2.499 215 E HA 0.049 4.399 4.350 -0.000 0.000 0.199 215 E C -0.623 175.813 176.600 -0.273 0.000 1.016 215 E CA -0.287 55.610 56.400 -0.837 0.000 0.933 215 E CB 0.917 30.129 29.700 -0.813 0.000 1.050 215 E HN 0.226 nan 8.360 nan 0.000 0.462 216 S N 0.683 116.376 115.700 -0.012 0.000 2.528 216 S HA 0.155 4.625 4.470 -0.000 0.000 0.277 216 S C 1.207 175.907 174.600 0.167 0.000 1.297 216 S CA -0.397 57.868 58.200 0.108 0.000 1.052 216 S CB 0.497 63.817 63.200 0.200 0.000 0.917 216 S HN 0.169 nan 8.310 nan 0.000 0.492 217 I N 4.966 125.498 120.570 -0.063 0.000 2.163 217 I HA -0.145 4.025 4.170 -0.000 0.000 0.240 217 I C 2.745 178.672 176.117 -0.317 0.000 1.081 217 I CA 1.195 62.172 61.300 -0.539 0.000 1.353 217 I CB -0.207 37.249 38.000 -0.907 0.000 1.054 217 I HN 0.694 nan 8.210 nan 0.000 0.407 218 R N -0.566 119.848 120.500 -0.144 0.000 2.081 218 R HA -0.243 4.097 4.340 -0.000 0.000 0.235 218 R C 2.387 178.721 176.300 0.056 0.000 1.131 218 R CA 1.856 57.929 56.100 -0.043 0.000 0.960 218 R CB -0.673 29.619 30.300 -0.013 0.000 0.856 218 R HN 0.424 nan 8.270 nan 0.000 0.436 219 H N 1.070 120.162 119.070 0.038 0.000 2.290 219 H HA -0.075 4.481 4.556 -0.000 0.000 0.298 219 H C 1.746 177.156 175.328 0.137 0.000 1.087 219 H CA 2.001 58.099 56.048 0.082 0.000 1.291 219 H CB -0.101 29.737 29.762 0.127 0.000 1.369 219 H HN 0.141 nan 8.280 nan 0.000 0.492 220 N N 0.008 118.800 118.700 0.154 0.000 2.270 220 N HA -0.118 4.622 4.740 -0.000 0.000 0.181 220 N C 2.026 177.700 175.510 0.275 0.000 1.016 220 N CA 0.940 54.140 53.050 0.251 0.000 0.870 220 N CB -0.169 38.684 38.487 0.611 0.000 0.979 220 N HN 0.316 nan 8.380 nan 0.000 0.431 221 L N 1.245 122.640 121.223 0.287 0.000 2.012 221 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 221 L C 2.111 179.050 176.870 0.115 0.000 1.073 221 L CA 1.387 56.397 54.840 0.283 0.000 0.748 221 L CB -0.507 41.674 42.059 0.204 0.000 0.891 221 L HN -0.131 nan 8.230 nan 0.000 0.431 222 V N -0.746 119.183 119.914 0.025 0.000 2.379 222 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 222 V C 2.413 178.445 176.094 -0.103 0.000 1.044 222 V CA 1.529 63.812 62.300 -0.029 0.000 1.036 222 V CB -0.549 31.238 31.823 -0.060 0.000 0.664 222 V HN 0.509 nan 8.190 nan 0.000 0.453 223 L N 0.882 122.012 121.223 -0.156 0.000 2.046 223 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 223 L C 2.162 178.971 176.870 -0.102 0.000 1.077 223 L CA 2.045 56.783 54.840 -0.170 0.000 0.747 223 L CB -0.798 41.123 42.059 -0.231 0.000 0.896 223 L HN 0.301 nan 8.230 nan 0.000 0.432 224 N N -0.242 118.447 118.700 -0.018 0.000 2.216 224 N HA -0.173 4.567 4.740 -0.000 0.000 0.183 224 N C 1.809 177.304 175.510 -0.024 0.000 1.017 224 N CA 1.132 54.186 53.050 0.006 0.000 0.861 224 N CB -0.269 38.247 38.487 0.048 0.000 0.986 224 N HN 0.259 nan 8.380 nan 0.000 0.428 225 K N 1.377 121.763 120.400 -0.024 0.000 2.057 225 K HA 0.089 4.409 4.320 -0.000 0.000 0.206 225 K C 1.891 178.450 176.600 -0.068 0.000 1.050 225 K CA 0.877 57.149 56.287 -0.025 0.000 0.935 225 K CB -0.440 32.066 32.500 0.010 0.000 0.715 225 K HN 0.118 nan 8.250 nan 0.000 0.439 226 L N 0.067 121.181 121.223 -0.181 0.000 2.093 226 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 226 L C 2.192 178.888 176.870 -0.289 0.000 1.085 226 L CA 1.537 56.159 54.840 -0.364 0.000 0.755 226 L CB -0.736 40.703 42.059 -1.035 0.000 0.904 226 L HN 0.217 nan 8.230 nan 0.000 0.435 227 T N -0.687 113.740 114.554 -0.211 0.000 2.665 227 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 227 T C 1.775 176.526 174.700 0.084 0.000 1.035 227 T CA 1.882 64.011 62.100 0.049 0.000 1.151 227 T CB -0.162 68.745 68.868 0.066 0.000 0.862 227 T HN 0.408 nan 8.240 nan 0.000 0.438 228 E N 0.538 120.752 120.200 0.022 0.000 2.077 228 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 228 E C 2.121 178.720 176.600 -0.002 0.000 0.989 228 E CA 0.945 57.352 56.400 0.011 0.000 0.800 228 E CB 0.046 29.736 29.700 -0.017 0.000 0.746 228 E HN 0.392 nan 8.360 nan 0.000 0.452 229 E N -0.482 119.702 120.200 -0.027 0.000 2.204 229 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 229 E C 0.591 177.017 176.600 -0.289 0.000 0.989 229 E CA 0.890 57.193 56.400 -0.163 0.000 0.824 229 E CB 0.062 29.633 29.700 -0.215 0.000 0.756 229 E HN 0.486 nan 8.360 nan 0.000 0.477 230 Y N 0.178 120.517 120.300 0.064 0.000 2.720 230 Y HA 0.186 4.736 4.550 -0.000 0.000 0.268 230 Y C 0.309 176.273 175.900 0.107 0.000 1.142 230 Y CA -0.805 57.367 58.100 0.121 0.000 1.193 230 Y CB 0.493 39.111 38.460 0.264 0.000 1.176 230 Y HN -0.263 nan 8.280 nan 0.000 0.542 231 K N 1.015 121.513 120.400 0.163 0.000 2.466 231 K HA 0.212 4.532 4.320 -0.000 0.000 0.278 231 K C 1.232 177.895 176.600 0.106 0.000 1.048 231 K CA 1.241 57.600 56.287 0.120 0.000 1.088 231 K CB -0.159 32.379 32.500 0.062 0.000 0.884 231 K HN 0.544 nan 8.250 nan 0.000 0.478 232 G N 3.393 112.257 108.800 0.108 0.000 2.166 232 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 232 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 232 G C 0.561 175.520 174.900 0.098 0.000 0.986 232 G CA 1.007 46.158 45.100 0.087 0.000 0.683 232 G HN 0.692 nan 8.290 nan 0.000 0.527 233 Q N -1.420 118.465 119.800 0.142 0.000 2.532 233 Q HA 0.297 4.637 4.340 -0.000 0.000 0.247 233 Q C 1.211 177.289 176.000 0.130 0.000 0.872 233 Q CA 0.309 56.202 55.803 0.150 0.000 0.963 233 Q CB 0.786 29.650 28.738 0.210 0.000 1.159 233 Q HN 0.499 nan 8.270 nan 0.000 0.598 234 R N 0.685 121.267 120.500 0.138 0.000 2.651 234 R HA 0.374 4.714 4.340 -0.000 0.000 0.278 234 R C -1.614 174.698 176.300 0.019 0.000 1.010 234 R CA -0.702 55.384 56.100 -0.024 0.000 0.896 234 R CB 1.780 31.836 30.300 -0.406 0.000 1.211 234 R HN -0.016 nan 8.270 nan 0.000 0.456 235 D N 1.934 122.289 120.400 -0.075 0.000 2.177 235 D HA 0.371 5.011 4.640 -0.000 0.000 0.247 235 D C -0.631 175.552 176.300 -0.194 0.000 1.063 235 D CA 0.125 54.123 54.000 -0.003 0.000 0.867 235 D CB 1.172 41.980 40.800 0.012 0.000 1.168 235 D HN 0.144 nan 8.370 nan 0.000 0.445 236 F N 0.708 120.664 119.950 0.010 0.000 2.538 236 F HA 0.377 4.904 4.527 -0.000 0.000 0.325 236 F C 0.655 176.472 175.800 0.028 0.000 1.066 236 F CA -0.641 57.359 58.000 0.001 0.000 0.946 236 F CB 1.758 40.753 39.000 -0.008 0.000 1.199 236 F HN 0.206 nan 8.300 nan 0.000 0.473 237 Q N 0.022 119.943 119.800 0.201 0.000 2.707 237 Q HA 0.348 4.688 4.340 -0.000 0.000 0.307 237 Q C -1.523 174.595 176.000 0.198 0.000 0.934 237 Q CA -1.313 54.591 55.803 0.167 0.000 0.753 237 Q CB 1.811 30.613 28.738 0.105 0.000 1.478 237 Q HN 0.618 nan 8.270 nan 0.000 0.458 238 Q N 0.929 120.864 119.800 0.226 0.000 2.337 238 Q HA 0.211 4.551 4.340 -0.000 0.000 0.270 238 Q C -0.501 175.561 176.000 0.103 0.000 1.002 238 Q CA -0.180 55.754 55.803 0.219 0.000 0.888 238 Q CB 0.495 29.308 28.738 0.125 0.000 1.222 238 Q HN 0.564 nan 8.270 nan 0.000 0.400 239 I N 6.672 127.281 120.570 0.064 0.000 2.821 239 I HA -0.091 4.079 4.170 -0.000 0.000 0.294 239 I C -1.977 174.150 176.117 0.017 0.000 1.210 239 I CA -1.210 60.106 61.300 0.027 0.000 1.430 239 I CB 0.070 38.059 38.000 -0.017 0.000 1.356 239 I HN 0.462 nan 8.210 nan 0.000 0.563 240 P HA 0.217 nan 4.420 nan 0.000 0.271 240 P C -0.963 176.326 177.300 -0.018 0.000 1.226 240 P CA 0.165 63.265 63.100 0.000 0.000 0.765 240 P CB 0.444 32.133 31.700 -0.017 0.000 0.835 241 L N 2.427 123.648 121.223 -0.004 0.000 2.385 241 L HA 0.627 4.967 4.340 -0.000 0.000 0.273 241 L C 0.242 177.102 176.870 -0.016 0.000 0.990 241 L CA -1.144 53.690 54.840 -0.010 0.000 0.821 241 L CB 2.136 44.254 42.059 0.098 0.000 1.279 241 L HN 0.238 nan 8.230 nan 0.000 0.412 242 A N 3.164 125.929 122.820 -0.091 0.000 2.671 242 A HA 0.768 5.088 4.320 -0.000 0.000 0.306 242 A C 0.067 177.672 177.584 0.036 0.000 1.473 242 A CA 0.164 52.189 52.037 -0.019 0.000 1.155 242 A CB -0.351 18.561 19.000 -0.146 0.000 1.123 242 A HN 0.817 nan 8.150 nan 0.000 0.545 243 A N 1.897 124.713 122.820 -0.006 0.000 2.590 243 A HA 0.714 5.034 4.320 -0.000 0.000 0.294 243 A C -0.524 176.955 177.584 -0.176 0.000 1.046 243 A CA -0.463 51.477 52.037 -0.162 0.000 0.684 243 A CB 0.679 19.410 19.000 -0.448 0.000 1.279 243 A HN 0.668 nan 8.150 nan 0.000 0.415 244 T N 1.399 115.817 114.554 -0.228 0.000 2.881 244 T HA 0.490 4.840 4.350 -0.000 0.000 0.291 244 T C -0.089 174.463 174.700 -0.247 0.000 0.990 244 T CA -0.426 61.569 62.100 -0.175 0.000 0.976 244 T CB 1.250 70.068 68.868 -0.082 0.000 0.970 244 T HN 0.730 nan 8.240 nan 0.000 0.438 245 R N 2.331 122.673 120.500 -0.263 0.000 2.401 245 R HA 0.243 4.582 4.340 -0.000 0.000 0.299 245 R C 0.748 176.958 176.300 -0.150 0.000 1.064 245 R CA -0.332 55.602 56.100 -0.278 0.000 1.000 245 R CB 0.362 30.468 30.300 -0.324 0.000 0.973 245 R HN 0.376 nan 8.270 nan 0.000 0.438 246 R N 1.130 121.588 120.500 -0.071 0.000 2.254 246 R HA 0.143 4.483 4.340 -0.000 0.000 0.193 246 R C 0.155 176.434 176.300 -0.035 0.000 0.929 246 R CA 0.619 56.707 56.100 -0.020 0.000 1.038 246 R CB 0.326 30.656 30.300 0.049 0.000 1.009 246 R HN 0.759 nan 8.270 nan 0.000 0.512 247 S N -1.333 114.350 115.700 -0.028 0.000 2.636 247 S HA 0.375 4.845 4.470 -0.000 0.000 0.268 247 S C -2.605 171.955 174.600 -0.066 0.000 1.159 247 S CA -1.006 57.170 58.200 -0.039 0.000 0.815 247 S CB 2.132 65.326 63.200 -0.009 0.000 1.130 247 S HN -0.235 nan 8.310 nan 0.000 0.471 248 P HA 0.077 nan 4.420 nan 0.000 0.230 248 P C 1.000 178.260 177.300 -0.067 0.000 1.158 248 P CA 1.412 64.461 63.100 -0.084 0.000 0.769 248 P CB -0.400 31.270 31.700 -0.051 0.000 0.807 249 T N -6.419 108.128 114.554 -0.013 0.000 3.091 249 T HA 0.289 4.639 4.350 -0.000 0.000 0.277 249 T C -0.247 174.494 174.700 0.067 0.000 0.996 249 T CA -0.368 61.744 62.100 0.019 0.000 0.897 249 T CB -0.520 68.381 68.868 0.055 0.000 1.109 249 T HN -0.121 nan 8.240 nan 0.000 0.534 250 F N 1.687 121.560 119.950 -0.127 0.000 2.562 250 F HA 0.661 5.187 4.527 -0.000 0.000 0.319 250 F C -1.484 174.170 175.800 -0.242 0.000 1.154 250 F CA -1.139 56.781 58.000 -0.134 0.000 0.931 250 F CB 1.952 40.894 39.000 -0.097 0.000 1.198 250 F HN -0.114 nan 8.300 nan 0.000 0.444 251 V N 5.205 124.711 119.914 -0.679 0.000 2.417 251 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 251 V C -0.265 175.281 176.094 -0.914 0.000 1.024 251 V CA -0.839 60.980 62.300 -0.802 0.000 0.861 251 V CB 1.660 32.765 31.823 -1.197 0.000 0.985 251 V HN 0.723 nan 8.190 nan 0.000 0.436 252 E N 4.431 124.369 120.200 -0.437 0.000 1.893 252 E HA 0.139 4.489 4.350 -0.000 0.000 0.269 252 E C -1.021 175.413 176.600 -0.275 0.000 1.129 252 E CA -0.518 55.779 56.400 -0.173 0.000 0.904 252 E CB 0.363 30.102 29.700 0.065 0.000 1.077 252 E HN 0.636 nan 8.360 nan 0.000 0.407 253 W N 2.572 123.765 121.300 -0.177 0.000 2.216 253 W HA 0.079 4.739 4.660 -0.000 0.000 0.326 253 W C 0.757 177.293 176.519 0.027 0.000 1.319 253 W CA -0.509 56.710 57.345 -0.210 0.000 1.213 253 W CB 0.787 29.888 29.460 -0.598 0.000 1.171 253 W HN 0.295 nan 8.180 nan 0.000 0.557 254 S N 1.608 117.509 115.700 0.336 0.000 2.624 254 S HA 0.596 5.066 4.470 -0.000 0.000 0.263 254 S C 0.184 175.217 174.600 0.721 0.000 1.287 254 S CA -0.525 57.945 58.200 0.450 0.000 0.990 254 S CB 1.165 64.639 63.200 0.458 0.000 0.950 254 S HN 0.527 nan 8.310 nan 0.000 0.561 255 S N -0.415 115.672 115.700 0.645 0.000 2.724 255 S HA 0.679 5.149 4.470 -0.000 0.000 0.278 255 S C 0.817 175.643 174.600 0.377 0.000 1.190 255 S CA -0.306 58.228 58.200 0.557 0.000 0.860 255 S CB 0.457 63.890 63.200 0.388 0.000 1.206 255 S HN 0.720 nan 8.310 nan 0.000 0.507 256 A N 1.630 124.561 122.820 0.185 0.000 1.917 256 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 256 A C 2.007 179.654 177.584 0.105 0.000 1.182 256 A CA 2.195 54.296 52.037 0.107 0.000 0.633 256 A CB -1.595 17.431 19.000 0.044 0.000 0.819 256 A HN 0.864 nan 8.150 nan 0.000 0.448 257 N N -0.593 118.175 118.700 0.113 0.000 2.205 257 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 257 N C 1.480 177.023 175.510 0.054 0.000 1.015 257 N CA 1.994 55.082 53.050 0.064 0.000 0.862 257 N CB -0.217 38.318 38.487 0.080 0.000 0.986 257 N HN 0.469 nan 8.380 nan 0.000 0.429 258 T N 0.356 114.990 114.554 0.133 0.000 2.821 258 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 258 T C 2.059 176.795 174.700 0.059 0.000 1.046 258 T CA 1.005 63.183 62.100 0.130 0.000 1.139 258 T CB -0.121 68.903 68.868 0.260 0.000 0.871 258 T HN 0.058 nan 8.240 nan 0.000 0.454 259 V N -0.441 119.497 119.914 0.040 0.000 2.323 259 V HA 0.175 4.295 4.120 -0.000 0.000 0.244 259 V C 0.468 176.531 176.094 -0.050 0.000 1.041 259 V CA 0.938 63.187 62.300 -0.084 0.000 1.025 259 V CB -0.327 31.409 31.823 -0.146 0.000 0.656 259 V HN 0.479 nan 8.190 nan 0.000 0.451 260 F N 0.993 120.828 119.950 -0.193 0.000 2.605 260 F HA 0.394 4.921 4.527 -0.000 0.000 0.320 260 F C 0.010 175.703 175.800 -0.177 0.000 1.159 260 F CA -1.670 56.187 58.000 -0.239 0.000 0.999 260 F CB 1.451 40.261 39.000 -0.316 0.000 1.258 260 F HN 0.162 nan 8.300 nan 0.000 0.464 261 D N 4.958 124.911 120.400 -0.746 0.000 2.349 261 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 261 D C 1.091 177.133 176.300 -0.430 0.000 1.029 261 D CA 0.762 54.496 54.000 -0.444 0.000 0.879 261 D CB -0.117 40.464 40.800 -0.364 0.000 0.906 261 D HN 0.674 nan 8.370 nan 0.000 0.528 262 L N -1.727 119.105 121.223 -0.652 0.000 4.367 262 L HA -0.255 4.085 4.340 -0.000 0.000 0.424 262 L C -0.127 176.739 176.870 -0.005 0.000 1.152 262 L CA 0.544 55.284 54.840 -0.166 0.000 0.974 262 L CB -1.374 40.710 42.059 0.042 0.000 2.012 262 L HN 0.259 nan 8.230 nan 0.000 0.922 263 Q N 0.674 120.371 119.800 -0.171 0.000 2.293 263 Q HA 0.264 4.604 4.340 -0.000 0.000 0.251 263 Q C 0.375 176.452 176.000 0.128 0.000 0.930 263 Q CA -0.254 55.528 55.803 -0.035 0.000 0.893 263 Q CB 0.798 29.476 28.738 -0.100 0.000 1.215 263 Q HN 0.123 nan 8.270 nan 0.000 0.425 264 N N 1.775 120.533 118.700 0.096 0.000 2.492 264 N HA 0.104 4.844 4.740 -0.000 0.000 0.260 264 N C -0.308 175.273 175.510 0.117 0.000 1.215 264 N CA 0.341 53.450 53.050 0.099 0.000 0.923 264 N CB 0.608 39.068 38.487 -0.046 0.000 1.092 264 N HN 0.245 nan 8.380 nan 0.000 0.448 265 R N 1.401 122.008 120.500 0.179 0.000 2.803 265 R HA 0.525 4.865 4.340 -0.000 0.000 0.276 265 R C -2.340 174.052 176.300 0.152 0.000 0.978 265 R CA -1.589 54.608 56.100 0.160 0.000 0.939 265 R CB 1.717 32.145 30.300 0.213 0.000 1.179 265 R HN 0.403 nan 8.270 nan 0.000 0.472 266 P HA 0.122 nan 4.420 nan 0.000 0.274 266 P C -1.361 175.995 177.300 0.092 0.000 1.237 266 P CA -0.279 62.916 63.100 0.158 0.000 0.793 266 P CB 0.723 32.565 31.700 0.236 0.000 0.977 267 N N -1.465 117.272 118.700 0.061 0.000 2.972 267 N HA 0.204 4.944 4.740 -0.000 0.000 0.262 267 N C 0.639 176.159 175.510 0.017 0.000 1.478 267 N CA -0.740 52.329 53.050 0.032 0.000 0.841 267 N CB -0.662 37.833 38.487 0.015 0.000 1.512 267 N HN 0.071 nan 8.380 nan 0.000 0.548 268 T N -0.396 114.160 114.554 0.005 0.000 2.653 268 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 268 T C 0.474 175.167 174.700 -0.011 0.000 1.035 268 T CA 1.995 64.093 62.100 -0.003 0.000 1.154 268 T CB -0.564 68.299 68.868 -0.008 0.000 0.862 268 T HN 0.590 nan 8.240 nan 0.000 0.441 269 D N 1.322 121.711 120.400 -0.019 0.000 2.269 269 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 269 D C 0.900 177.183 176.300 -0.027 0.000 0.963 269 D CA 0.655 54.638 54.000 -0.028 0.000 0.864 269 D CB 0.132 40.907 40.800 -0.041 0.000 0.936 269 D HN 0.421 nan 8.370 nan 0.000 0.505 270 A N 1.613 124.423 122.820 -0.016 0.000 3.266 270 A HA 0.312 4.632 4.320 -0.000 0.000 0.310 270 A C -1.984 175.602 177.584 0.003 0.000 1.066 270 A CA -0.927 51.104 52.037 -0.010 0.000 0.839 270 A CB 1.073 20.074 19.000 0.003 0.000 1.192 270 A HN -0.159 nan 8.150 nan 0.000 0.496 271 P HA -0.049 nan 4.420 nan 0.000 0.229 271 P C 0.582 177.829 177.300 -0.088 0.000 1.160 271 P CA 1.149 64.241 63.100 -0.012 0.000 0.777 271 P CB 0.568 32.249 31.700 -0.030 0.000 0.814 272 E N -0.418 119.671 120.200 -0.186 0.000 2.501 272 E HA 0.110 4.460 4.350 -0.000 0.000 0.201 272 E C 0.189 176.671 176.600 -0.196 0.000 1.016 272 E CA -0.026 56.100 56.400 -0.457 0.000 0.920 272 E CB 0.125 29.578 29.700 -0.412 0.000 1.023 272 E HN 0.310 nan 8.360 nan 0.000 0.474 273 E N 0.134 120.353 120.200 0.032 0.000 2.250 273 E HA 0.489 4.839 4.350 -0.000 0.000 0.269 273 E C -0.453 176.308 176.600 0.268 0.000 1.018 273 E CA -0.671 55.815 56.400 0.143 0.000 0.873 273 E CB 1.557 31.331 29.700 0.124 0.000 1.134 273 E HN -0.100 nan 8.360 nan 0.000 0.403 274 R N 1.866 122.532 120.500 0.277 0.000 2.473 274 R HA 0.413 4.753 4.340 -0.000 0.000 0.303 274 R C -1.582 174.898 176.300 0.300 0.000 1.002 274 R CA -0.522 55.739 56.100 0.268 0.000 0.884 274 R CB 0.966 31.407 30.300 0.235 0.000 1.173 274 R HN 0.397 nan 8.270 nan 0.000 0.464 275 F N 2.169 122.173 119.950 0.090 0.000 2.615 275 F HA 0.456 4.983 4.527 -0.000 0.000 0.312 275 F C -1.730 174.038 175.800 -0.053 0.000 1.119 275 F CA -0.710 57.314 58.000 0.040 0.000 0.979 275 F CB 2.055 41.135 39.000 0.135 0.000 1.266 275 F HN 0.380 nan 8.300 nan 0.000 0.444 276 N N 4.782 122.790 118.700 -1.153 0.000 2.352 276 N HA 0.550 5.290 4.740 -0.000 0.000 0.291 276 N C -2.006 172.470 175.510 -1.723 0.000 1.040 276 N CA -0.602 51.711 53.050 -1.228 0.000 0.864 276 N CB 2.360 40.308 38.487 -0.899 0.000 1.440 276 N HN 0.602 nan 8.380 nan 0.000 0.483 277 L N 2.552 123.004 121.223 -1.285 0.000 2.275 277 L HA 0.632 4.972 4.340 -0.000 0.000 0.288 277 L C -1.594 174.755 176.870 -0.869 0.000 1.046 277 L CA -0.188 54.142 54.840 -0.851 0.000 0.805 277 L CB 0.055 41.965 42.059 -0.248 0.000 1.193 277 L HN 0.449 nan 8.230 nan 0.000 0.426 278 F N 6.583 126.286 119.950 -0.412 0.000 2.359 278 F HA 0.541 5.068 4.527 -0.000 0.000 0.369 278 F C -2.122 173.621 175.800 -0.094 0.000 1.084 278 F CA -2.091 55.755 58.000 -0.256 0.000 1.096 278 F CB 0.732 39.536 39.000 -0.327 0.000 1.335 278 F HN 0.424 nan 8.300 nan 0.000 0.457 279 P HA 0.334 nan 4.420 nan 0.000 0.276 279 P C -0.070 177.282 177.300 0.086 0.000 1.261 279 P CA -0.211 62.927 63.100 0.064 0.000 0.800 279 P CB 1.080 32.798 31.700 0.031 0.000 1.066 280 A N -0.993 121.864 122.820 0.061 0.000 2.791 280 A HA -0.091 4.229 4.320 -0.000 0.000 0.292 280 A C -0.105 177.508 177.584 0.049 0.000 1.487 280 A CA 0.696 52.761 52.037 0.048 0.000 0.760 280 A CB -2.406 16.621 19.000 0.045 0.000 1.031 280 A HN 0.252 nan 8.150 nan 0.000 0.503 281 V N -0.328 119.631 119.914 0.075 0.000 2.443 281 V HA 0.672 4.792 4.120 -0.000 0.000 0.293 281 V C 0.547 176.658 176.094 0.028 0.000 1.021 281 V CA -0.304 62.044 62.300 0.080 0.000 0.848 281 V CB 1.608 33.565 31.823 0.223 0.000 0.998 281 V HN 1.508 nan 8.190 nan 0.000 0.424 282 A N 4.179 126.995 122.820 -0.007 0.000 2.347 282 A HA 0.450 4.770 4.320 -0.000 0.000 0.287 282 A C 0.160 177.734 177.584 -0.016 0.000 1.199 282 A CA -0.181 51.835 52.037 -0.035 0.000 0.851 282 A CB -0.130 18.886 19.000 0.027 0.000 1.118 282 A HN 0.873 nan 8.150 nan 0.000 0.525 283 C N 2.986 122.249 119.300 -0.062 0.000 2.482 283 C HA 0.283 4.743 4.460 -0.000 0.000 0.378 283 C C 1.413 176.373 174.990 -0.051 0.000 1.284 283 C CA -0.185 58.786 59.018 -0.079 0.000 1.826 283 C CB -0.612 27.074 27.740 -0.091 0.000 2.473 283 C HN 1.016 nan 8.230 nan 0.000 0.562 284 E N 0.920 121.107 120.200 -0.022 0.000 2.256 284 E HA 0.137 4.487 4.350 -0.000 0.000 0.198 284 E C 0.441 177.018 176.600 -0.038 0.000 0.908 284 E CA 0.396 56.789 56.400 -0.012 0.000 0.915 284 E CB 0.505 30.221 29.700 0.026 0.000 0.890 284 E HN 0.603 nan 8.360 nan 0.000 0.484 285 R N 0.598 121.071 120.500 -0.045 0.000 2.643 285 R HA 0.279 4.619 4.340 -0.000 0.000 0.269 285 R C -1.284 174.918 176.300 -0.163 0.000 1.037 285 R CA -0.553 55.482 56.100 -0.108 0.000 0.894 285 R CB 2.534 32.749 30.300 -0.141 0.000 1.238 285 R HN -0.085 nan 8.270 nan 0.000 0.459 286 V N 0.215 120.022 119.914 -0.178 0.000 2.439 286 V HA 0.516 4.636 4.120 -0.000 0.000 0.282 286 V C 0.004 175.943 176.094 -0.258 0.000 1.039 286 V CA -0.760 61.388 62.300 -0.253 0.000 0.913 286 V CB 1.524 33.183 31.823 -0.273 0.000 0.983 286 V HN 0.372 nan 8.190 nan 0.000 0.460 287 V N 6.121 125.842 119.914 -0.322 0.000 2.385 287 V HA 0.404 4.524 4.120 -0.000 0.000 0.269 287 V C 0.769 176.772 176.094 -0.152 0.000 1.043 287 V CA -0.437 61.703 62.300 -0.267 0.000 0.906 287 V CB 0.610 32.248 31.823 -0.308 0.000 0.995 287 V HN 0.927 nan 8.190 nan 0.000 0.467 288 R N 3.847 124.292 120.500 -0.092 0.000 2.490 288 R HA 0.224 4.564 4.340 -0.000 0.000 0.280 288 R C 0.412 176.725 176.300 0.021 0.000 1.077 288 R CA -0.521 55.598 56.100 0.031 0.000 1.065 288 R CB 0.486 30.786 30.300 -0.001 0.000 1.003 288 R HN 0.873 nan 8.270 nan 0.000 0.470 289 N N 1.587 120.324 118.700 0.062 0.000 2.371 289 N HA -0.032 4.708 4.740 -0.000 0.000 0.243 289 N C 0.561 176.069 175.510 -0.002 0.000 1.287 289 N CA 0.241 53.303 53.050 0.020 0.000 0.911 289 N CB 0.478 38.976 38.487 0.018 0.000 1.142 289 N HN 0.586 nan 8.380 nan 0.000 0.451 290 A N 0.642 123.452 122.820 -0.016 0.000 1.972 290 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 290 A C 2.136 179.696 177.584 -0.041 0.000 1.169 290 A CA 0.916 52.937 52.037 -0.027 0.000 0.635 290 A CB -0.797 18.190 19.000 -0.022 0.000 0.810 290 A HN 0.663 nan 8.150 nan 0.000 0.446 291 L N -0.908 120.285 121.223 -0.051 0.000 2.478 291 L HA -0.039 4.301 4.340 -0.000 0.000 0.223 291 L C 0.101 176.885 176.870 -0.143 0.000 1.140 291 L CA 0.089 54.881 54.840 -0.080 0.000 0.842 291 L CB -0.513 41.502 42.059 -0.074 0.000 0.953 291 L HN 0.394 nan 8.230 nan 0.000 0.452 292 N N 0.092 118.700 118.700 -0.152 0.000 2.738 292 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 292 N C 0.875 175.838 175.510 -0.911 0.000 1.047 292 N CA 1.036 53.906 53.050 -0.301 0.000 0.707 292 N CB -1.167 37.248 38.487 -0.120 0.000 0.937 292 N HN 0.554 nan 8.380 nan 0.000 0.545 293 S N -2.072 113.231 115.700 -0.661 0.000 2.632 293 S HA 0.256 4.726 4.470 -0.000 0.000 0.237 293 S C 0.283 174.682 174.600 -0.334 0.000 1.037 293 S CA -0.172 57.670 58.200 -0.597 0.000 1.009 293 S CB 1.553 64.599 63.200 -0.257 0.000 0.974 293 S HN 0.389 nan 8.310 nan 0.000 0.544 294 E N 0.358 120.508 120.200 -0.084 0.000 2.372 294 E HA 0.440 4.790 4.350 -0.000 0.000 0.279 294 E C -1.645 175.144 176.600 0.315 0.000 0.946 294 E CA -0.861 55.660 56.400 0.202 0.000 0.769 294 E CB 1.320 31.097 29.700 0.129 0.000 1.230 294 E HN 0.087 nan 8.360 nan 0.000 0.442 295 I N 3.586 124.301 120.570 0.242 0.000 2.395 295 I HA 0.116 4.286 4.170 -0.000 0.000 0.289 295 I C 0.928 176.999 176.117 -0.077 0.000 1.023 295 I CA 0.153 61.410 61.300 -0.072 0.000 1.350 295 I CB 1.232 38.938 38.000 -0.491 0.000 1.409 295 I HN 0.704 nan 8.210 nan 0.000 0.507 296 E N 3.200 123.345 120.200 -0.090 0.000 2.431 296 E HA 0.085 4.435 4.350 -0.000 0.000 0.200 296 E C 0.287 176.933 176.600 0.077 0.000 0.995 296 E CA 0.286 56.709 56.400 0.038 0.000 0.915 296 E CB 0.622 30.345 29.700 0.038 0.000 0.930 296 E HN 0.716 nan 8.360 nan 0.000 0.496 297 S N -0.329 115.322 115.700 -0.082 0.000 2.627 297 S HA 0.458 4.928 4.470 -0.000 0.000 0.268 297 S C -1.726 172.839 174.600 -0.059 0.000 1.130 297 S CA -1.070 57.184 58.200 0.090 0.000 0.819 297 S CB 1.152 64.455 63.200 0.172 0.000 1.100 297 S HN 0.012 nan 8.310 nan 0.000 0.465 298 L N 1.997 123.319 121.223 0.165 0.000 2.333 298 L HA 0.724 5.064 4.340 -0.000 0.000 0.280 298 L C -1.461 175.521 176.870 0.188 0.000 1.004 298 L CA -0.117 54.772 54.840 0.082 0.000 0.820 298 L CB 1.174 43.318 42.059 0.141 0.000 1.247 298 L HN 0.910 nan 8.230 nan 0.000 0.416 299 H N 5.803 124.832 119.070 -0.068 0.000 2.562 299 H HA 0.615 5.171 4.556 -0.000 0.000 0.314 299 H C -0.234 175.047 175.328 -0.079 0.000 1.079 299 H CA -0.253 55.763 56.048 -0.054 0.000 1.349 299 H CB 0.949 30.684 29.762 -0.046 0.000 1.432 299 H HN 0.712 nan 8.280 nan 0.000 0.479 300 I N -0.482 120.105 120.570 0.027 0.000 2.892 300 I HA 0.463 4.633 4.170 -0.000 0.000 0.306 300 I C -0.736 175.463 176.117 0.138 0.000 1.078 300 I CA -0.901 60.390 61.300 -0.014 0.000 1.032 300 I CB 3.073 40.930 38.000 -0.238 0.000 1.229 300 I HN 0.522 nan 8.210 nan 0.000 0.435 301 H N 2.903 121.986 119.070 0.021 0.000 2.800 301 H HA 0.242 4.798 4.556 -0.000 0.000 0.322 301 H C -1.449 173.937 175.328 0.097 0.000 0.979 301 H CA -0.679 55.405 56.048 0.059 0.000 1.277 301 H CB 1.397 31.184 29.762 0.042 0.000 1.484 301 H HN 0.802 nan 8.280 nan 0.000 0.512 302 D N 5.309 125.779 120.400 0.116 0.000 2.358 302 D HA -0.015 4.625 4.640 -0.000 0.000 0.258 302 D C 0.905 177.076 176.300 -0.215 0.000 1.223 302 D CA -0.049 53.961 54.000 0.016 0.000 0.886 302 D CB 0.873 41.793 40.800 0.201 0.000 1.120 302 D HN 0.640 nan 8.370 nan 0.000 0.482 303 L N 3.914 125.006 121.223 -0.217 0.000 2.313 303 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 303 L C 1.730 178.547 176.870 -0.089 0.000 1.119 303 L CA 0.055 54.754 54.840 -0.236 0.000 0.809 303 L CB -0.135 41.876 42.059 -0.081 0.000 0.933 303 L HN 0.521 nan 8.230 nan 0.000 0.449 304 I N -0.291 120.262 120.570 -0.028 0.000 2.235 304 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 304 I C 2.749 178.877 176.117 0.017 0.000 1.085 304 I CA 1.702 63.006 61.300 0.008 0.000 1.378 304 I CB -1.252 36.765 38.000 0.029 0.000 1.076 304 I HN 0.256 nan 8.210 nan 0.000 0.415 305 S N 0.059 115.780 115.700 0.036 0.000 2.446 305 S HA 0.167 4.637 4.470 -0.000 0.000 0.225 305 S C 1.840 176.470 174.600 0.050 0.000 1.016 305 S CA 0.695 58.928 58.200 0.054 0.000 0.943 305 S CB 0.008 63.264 63.200 0.094 0.000 0.786 305 S HN 0.581 nan 8.310 nan 0.000 0.508 306 G N 1.091 109.917 108.800 0.042 0.000 2.175 306 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 306 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 306 G C -0.429 174.577 174.900 0.178 0.000 0.982 306 G CA 0.141 45.314 45.100 0.121 0.000 0.641 306 G HN 0.553 nan 8.290 nan 0.000 0.527 307 D N 0.440 120.896 120.400 0.095 0.000 2.313 307 D HA 0.531 5.171 4.640 -0.000 0.000 0.247 307 D C 0.973 177.242 176.300 -0.053 0.000 1.094 307 D CA 0.016 53.977 54.000 -0.064 0.000 0.925 307 D CB 0.688 41.336 40.800 -0.254 0.000 1.188 307 D HN 0.384 nan 8.370 nan 0.000 0.430 308 R N 0.689 121.026 120.500 -0.271 0.000 2.598 308 R HA 0.664 5.004 4.340 -0.000 0.000 0.279 308 R C -0.651 175.312 176.300 -0.563 0.000 0.984 308 R CA -0.604 55.360 56.100 -0.227 0.000 0.999 308 R CB 1.158 31.353 30.300 -0.175 0.000 1.114 308 R HN 0.309 nan 8.270 nan 0.000 0.493 309 F N -0.209 119.668 119.950 -0.121 0.000 2.662 309 F HA 0.306 4.833 4.527 -0.000 0.000 0.312 309 F C -0.657 175.024 175.800 -0.199 0.000 1.113 309 F CA -1.117 56.800 58.000 -0.138 0.000 0.951 309 F CB 2.066 41.005 39.000 -0.101 0.000 1.344 309 F HN 0.296 nan 8.300 nan 0.000 0.462 310 E N 2.223 122.459 120.200 0.060 0.000 2.155 310 E HA 0.492 4.842 4.350 -0.000 0.000 0.264 310 E C -1.162 175.517 176.600 0.131 0.000 0.886 310 E CA -0.394 56.029 56.400 0.039 0.000 0.752 310 E CB 1.426 31.116 29.700 -0.017 0.000 1.133 310 E HN 0.234 nan 8.360 nan 0.000 0.414 311 I N 2.487 123.142 120.570 0.141 0.000 2.336 311 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 311 I C 0.172 176.439 176.117 0.250 0.000 0.991 311 I CA -0.903 60.494 61.300 0.162 0.000 1.227 311 I CB 1.160 39.209 38.000 0.083 0.000 1.366 311 I HN 0.416 nan 8.210 nan 0.000 0.466 312 K N 4.707 125.244 120.400 0.228 0.000 2.156 312 K HA 0.774 5.094 4.320 -0.000 0.000 0.271 312 K C -0.783 175.914 176.600 0.162 0.000 0.995 312 K CA -0.295 56.136 56.287 0.241 0.000 0.890 312 K CB 1.438 34.039 32.500 0.168 0.000 1.073 312 K HN 0.816 nan 8.250 nan 0.000 0.454 313 A N 2.809 125.637 122.820 0.015 0.000 2.532 313 A HA 0.340 4.660 4.320 -0.000 0.000 0.290 313 A C -0.456 177.010 177.584 -0.198 0.000 1.143 313 A CA -0.731 51.170 52.037 -0.226 0.000 0.728 313 A CB 1.106 19.723 19.000 -0.639 0.000 1.317 313 A HN 0.823 nan 8.150 nan 0.000 0.414 314 D N -0.516 119.809 120.400 -0.126 0.000 2.183 314 D HA 0.093 4.733 4.640 -0.000 0.000 0.203 314 D C 0.286 176.476 176.300 -0.184 0.000 0.969 314 D CA 1.635 55.615 54.000 -0.032 0.000 0.842 314 D CB 0.133 40.973 40.800 0.066 0.000 0.957 314 D HN 0.203 nan 8.370 nan 0.000 0.484 315 V N 0.684 120.342 119.914 -0.427 0.000 2.638 315 V HA 0.285 4.405 4.120 -0.000 0.000 0.306 315 V C -1.282 174.533 176.094 -0.466 0.000 1.052 315 V CA -0.905 61.154 62.300 -0.402 0.000 0.885 315 V CB 1.817 33.295 31.823 -0.575 0.000 0.999 315 V HN -0.068 nan 8.190 nan 0.000 0.424 316 Y N 2.848 123.140 120.300 -0.014 0.000 2.341 316 Y HA 0.734 5.283 4.550 -0.000 0.000 0.338 316 Y C -0.143 175.725 175.900 -0.053 0.000 0.965 316 Y CA -1.022 57.056 58.100 -0.037 0.000 1.108 316 Y CB 2.186 40.620 38.460 -0.043 0.000 1.180 316 Y HN 0.346 nan 8.280 nan 0.000 0.458 317 V N 5.333 125.223 119.914 -0.040 0.000 2.443 317 V HA 0.369 4.489 4.120 -0.000 0.000 0.293 317 V C -0.544 175.423 176.094 -0.211 0.000 1.021 317 V CA -0.914 61.246 62.300 -0.233 0.000 0.848 317 V CB 1.635 33.111 31.823 -0.578 0.000 0.998 317 V HN 0.607 nan 8.190 nan 0.000 0.424 318 L N 5.149 126.248 121.223 -0.208 0.000 2.257 318 L HA 0.572 4.912 4.340 -0.000 0.000 0.290 318 L C 0.390 177.160 176.870 -0.167 0.000 1.044 318 L CA -0.118 54.618 54.840 -0.174 0.000 0.810 318 L CB 1.513 43.448 42.059 -0.207 0.000 1.193 318 L HN 0.825 nan 8.230 nan 0.000 0.425 319 T N -1.408 113.084 114.554 -0.104 0.000 3.732 319 T HA 0.375 4.725 4.350 -0.000 0.000 0.234 319 T C 0.549 175.259 174.700 0.017 0.000 1.146 319 T CA -0.186 61.896 62.100 -0.031 0.000 1.454 319 T CB 1.010 69.861 68.868 -0.029 0.000 0.910 319 T HN 0.539 nan 8.240 nan 0.000 0.640 320 A N 0.802 123.642 122.820 0.032 0.000 2.379 320 A HA 0.782 5.102 4.320 -0.000 0.000 0.236 320 A C 1.397 179.061 177.584 0.133 0.000 1.272 320 A CA 0.086 52.160 52.037 0.062 0.000 0.886 320 A CB -0.755 18.274 19.000 0.048 0.000 0.962 320 A HN 1.765 nan 8.150 nan 0.000 0.504 321 G N -2.387 106.492 108.800 0.132 0.000 2.707 321 G HA2 0.243 4.203 3.960 -0.000 0.000 0.686 321 G HA3 0.243 4.203 3.960 -0.000 0.000 0.686 321 G C 0.777 175.791 174.900 0.191 0.000 1.315 321 G CA -0.314 44.880 45.100 0.156 0.000 0.832 321 G HN 1.294 nan 8.290 nan 0.000 0.573 322 A N -0.544 122.373 122.820 0.162 0.000 1.972 322 A HA 0.249 4.569 4.320 -0.000 0.000 0.219 322 A C 2.610 180.291 177.584 0.160 0.000 1.169 322 A CA 3.145 55.272 52.037 0.150 0.000 0.635 322 A CB -0.291 18.766 19.000 0.095 0.000 0.810 322 A HN 1.555 nan 8.150 nan 0.000 0.446 323 V N -1.064 118.904 119.914 0.089 0.000 2.331 323 V HA -0.154 3.966 4.120 -0.000 0.000 0.242 323 V C 2.175 178.261 176.094 -0.013 0.000 1.034 323 V CA 2.002 64.307 62.300 0.008 0.000 1.027 323 V CB -0.985 30.726 31.823 -0.186 0.000 0.667 323 V HN 0.724 nan 8.190 nan 0.000 0.457 324 H N -0.104 119.044 119.070 0.130 0.000 2.495 324 H HA -0.025 4.531 4.556 -0.000 0.000 0.287 324 H C 2.211 177.534 175.328 -0.009 0.000 1.033 324 H CA 0.958 57.036 56.048 0.052 0.000 1.307 324 H CB 0.045 29.818 29.762 0.018 0.000 1.401 324 H HN 0.313 nan 8.280 nan 0.000 0.555 325 N N -0.150 118.621 118.700 0.118 0.000 2.120 325 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 325 N C 1.734 177.216 175.510 -0.045 0.000 1.024 325 N CA 1.728 54.773 53.050 -0.009 0.000 0.852 325 N CB -0.416 38.058 38.487 -0.022 0.000 1.003 325 N HN 0.318 nan 8.380 nan 0.000 0.424 326 T N 0.665 115.270 114.554 0.085 0.000 2.746 326 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 326 T C 1.832 176.370 174.700 -0.269 0.000 1.039 326 T CA 1.062 63.211 62.100 0.080 0.000 1.142 326 T CB -0.177 68.889 68.868 0.331 0.000 0.866 326 T HN 0.354 nan 8.240 nan 0.000 0.444 327 Q N 0.389 119.903 119.800 -0.476 0.000 2.050 327 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 327 Q C 2.340 178.041 176.000 -0.498 0.000 0.980 327 Q CA 1.155 56.335 55.803 -1.039 0.000 0.840 327 Q CB -0.283 28.200 28.738 -0.425 0.000 0.898 327 Q HN 0.496 nan 8.270 nan 0.000 0.424 328 L N 0.318 121.390 121.223 -0.252 0.000 2.017 328 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 328 L C 2.274 179.042 176.870 -0.169 0.000 1.073 328 L CA 0.994 55.732 54.840 -0.170 0.000 0.745 328 L CB -0.163 41.819 42.059 -0.128 0.000 0.894 328 L HN 0.337 nan 8.230 nan 0.000 0.432 329 L N -1.265 119.839 121.223 -0.199 0.000 2.017 329 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 329 L C 2.445 179.326 176.870 0.019 0.000 1.073 329 L CA 1.115 55.864 54.840 -0.151 0.000 0.745 329 L CB -0.615 41.269 42.059 -0.292 0.000 0.894 329 L HN 0.098 nan 8.230 nan 0.000 0.432 330 V N -0.122 119.738 119.914 -0.089 0.000 2.407 330 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 330 V C 2.049 178.116 176.094 -0.046 0.000 1.055 330 V CA 1.925 64.207 62.300 -0.031 0.000 1.049 330 V CB -0.749 31.041 31.823 -0.054 0.000 0.662 330 V HN 0.489 nan 8.190 nan 0.000 0.455 331 N N -0.073 118.557 118.700 -0.117 0.000 2.550 331 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 331 N C 1.462 176.944 175.510 -0.047 0.000 1.110 331 N CA 0.939 53.944 53.050 -0.075 0.000 0.912 331 N CB -0.014 38.415 38.487 -0.097 0.000 0.968 331 N HN 0.375 nan 8.380 nan 0.000 0.448 332 S N -1.540 114.152 115.700 -0.012 0.000 2.557 332 S HA 0.338 4.808 4.470 -0.000 0.000 0.223 332 S C 0.999 175.566 174.600 -0.054 0.000 0.969 332 S CA 0.199 58.394 58.200 -0.008 0.000 0.927 332 S CB 0.629 63.869 63.200 0.066 0.000 0.806 332 S HN 0.521 nan 8.310 nan 0.000 0.489 333 G N 1.081 109.854 108.800 -0.045 0.000 2.159 333 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.227 333 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.227 333 G C -0.114 174.663 174.900 -0.205 0.000 0.986 333 G CA -0.540 44.480 45.100 -0.134 0.000 0.651 333 G HN 0.408 nan 8.290 nan 0.000 0.523 334 F N 0.835 120.748 119.950 -0.062 0.000 2.377 334 F HA 0.592 5.119 4.527 -0.000 0.000 0.328 334 F C 1.461 177.265 175.800 0.008 0.000 1.094 334 F CA 0.826 58.803 58.000 -0.040 0.000 1.093 334 F CB 1.315 40.259 39.000 -0.093 0.000 1.214 334 F HN 0.812 nan 8.300 nan 0.000 0.518 335 G N 2.026 110.957 108.800 0.219 0.000 2.569 335 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.259 335 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.259 335 G C -0.810 174.161 174.900 0.118 0.000 1.263 335 G CA -0.235 44.968 45.100 0.172 0.000 0.928 335 G HN 0.806 nan 8.290 nan 0.000 0.572 336 Q N -0.810 119.066 119.800 0.127 0.000 2.309 336 Q HA 0.621 4.960 4.340 -0.000 0.000 0.270 336 Q C -0.503 175.575 176.000 0.131 0.000 1.023 336 Q CA -0.964 54.893 55.803 0.090 0.000 0.758 336 Q CB 1.517 30.286 28.738 0.052 0.000 1.247 336 Q HN 0.826 nan 8.270 nan 0.000 0.455 337 L N 3.751 125.043 121.223 0.115 0.000 2.452 337 L HA 0.676 5.016 4.340 -0.000 0.000 0.267 337 L C 0.473 177.423 176.870 0.133 0.000 1.188 337 L CA 1.948 56.883 54.840 0.160 0.000 0.821 337 L CB 0.801 42.928 42.059 0.115 0.000 1.102 337 L HN 0.852 nan 8.230 nan 0.000 0.470 338 G N 3.332 112.264 108.800 0.221 0.000 2.725 338 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 338 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 338 G C -0.450 174.328 174.900 -0.203 0.000 1.357 338 G CA -0.073 45.110 45.100 0.138 0.000 0.866 338 G HN 0.939 nan 8.290 nan 0.000 0.548 339 R N 0.625 120.790 120.500 -0.557 0.000 2.537 339 R HA 0.407 4.747 4.340 -0.000 0.000 0.280 339 R C -2.019 173.827 176.300 -0.755 0.000 1.058 339 R CA -0.819 54.522 56.100 -1.266 0.000 1.057 339 R CB 0.136 29.996 30.300 -0.733 0.000 0.973 339 R HN 0.321 nan 8.270 nan 0.000 0.438 340 P HA -0.018 nan 4.420 nan 0.000 0.267 340 P C -1.356 175.780 177.300 -0.274 0.000 1.205 340 P CA 0.388 63.236 63.100 -0.421 0.000 0.765 340 P CB 0.414 31.893 31.700 -0.368 0.000 0.828 341 N N 3.955 122.552 118.700 -0.171 0.000 2.640 341 N HA 0.186 4.926 4.740 -0.000 0.000 0.262 341 N C -2.032 173.433 175.510 -0.075 0.000 1.174 341 N CA -1.870 51.109 53.050 -0.117 0.000 0.791 341 N CB 1.320 39.743 38.487 -0.106 0.000 1.279 341 N HN 0.052 nan 8.380 nan 0.000 0.535 342 P HA -0.080 nan 4.420 nan 0.000 0.216 342 P C 1.172 178.454 177.300 -0.029 0.000 1.150 342 P CA 0.843 63.919 63.100 -0.040 0.000 0.837 342 P CB 0.159 31.835 31.700 -0.040 0.000 0.786 343 A N -0.944 121.856 122.820 -0.033 0.000 2.194 343 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 343 A C 1.102 178.673 177.584 -0.021 0.000 1.162 343 A CA 0.969 52.991 52.037 -0.025 0.000 0.674 343 A CB -1.353 17.631 19.000 -0.027 0.000 0.789 343 A HN 0.341 nan 8.150 nan 0.000 0.470 344 N N 0.170 118.856 118.700 -0.024 0.000 2.504 344 N HA 0.307 5.047 4.740 -0.000 0.000 0.280 344 N C -3.194 172.310 175.510 -0.011 0.000 1.052 344 N CA -1.780 51.260 53.050 -0.018 0.000 0.887 344 N CB 1.861 40.335 38.487 -0.021 0.000 1.323 344 N HN -0.058 nan 8.380 nan 0.000 0.509 345 P HA 0.203 nan 4.420 nan 0.000 0.271 345 P C -2.662 174.644 177.300 0.011 0.000 1.220 345 P CA -0.851 62.253 63.100 0.006 0.000 0.768 345 P CB 0.348 32.053 31.700 0.007 0.000 0.848 346 P HA 0.107 nan 4.420 nan 0.000 0.272 346 P C 0.944 178.260 177.300 0.028 0.000 1.223 346 P CA -0.054 63.064 63.100 0.030 0.000 0.784 346 P CB 0.826 32.559 31.700 0.055 0.000 0.923 347 E N 1.586 121.795 120.200 0.015 0.000 2.106 347 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 347 E C -0.074 176.546 176.600 0.032 0.000 0.984 347 E CA 1.021 57.426 56.400 0.009 0.000 0.806 347 E CB -0.013 29.677 29.700 -0.017 0.000 0.750 347 E HN 0.367 nan 8.360 nan 0.000 0.458 348 L N 0.638 121.892 121.223 0.051 0.000 2.401 348 L HA 0.328 4.668 4.340 -0.000 0.000 0.266 348 L C -0.459 176.526 176.870 0.190 0.000 0.991 348 L CA -1.117 53.792 54.840 0.116 0.000 0.818 348 L CB 1.955 44.038 42.059 0.040 0.000 1.321 348 L HN 0.084 nan 8.230 nan 0.000 0.413 349 L N 2.922 124.285 121.223 0.233 0.000 3.823 349 L HA -0.184 4.156 4.340 -0.000 0.000 0.525 349 L C -1.534 175.446 176.870 0.183 0.000 1.247 349 L CA -0.485 54.494 54.840 0.232 0.000 0.776 349 L CB -0.898 41.328 42.059 0.279 0.000 1.443 349 L HN 0.576 nan 8.230 nan 0.000 0.831 350 P HA -0.094 nan 4.420 nan 0.000 0.226 350 P C 1.280 178.676 177.300 0.159 0.000 1.153 350 P CA 0.953 64.129 63.100 0.127 0.000 0.777 350 P CB 0.332 32.089 31.700 0.095 0.000 0.794 351 S N -0.600 115.213 115.700 0.189 0.000 2.593 351 S HA 0.060 4.530 4.470 -0.000 0.000 0.217 351 S C 0.804 175.563 174.600 0.265 0.000 0.966 351 S CA -0.375 57.982 58.200 0.262 0.000 0.914 351 S CB -0.725 62.622 63.200 0.244 0.000 0.776 351 S HN 0.062 nan 8.310 nan 0.000 0.523 352 L N 2.187 123.545 121.223 0.225 0.000 2.513 352 L HA 0.406 4.746 4.340 -0.000 0.000 0.272 352 L C 1.191 178.205 176.870 0.239 0.000 1.187 352 L CA 1.147 56.123 54.840 0.227 0.000 0.895 352 L CB -0.331 41.850 42.059 0.204 0.000 1.147 352 L HN 0.325 nan 8.230 nan 0.000 0.483 353 G N 2.409 111.360 108.800 0.253 0.000 2.184 353 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.264 353 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.264 353 G C 0.485 175.515 174.900 0.216 0.000 0.975 353 G CA 0.373 45.620 45.100 0.245 0.000 0.642 353 G HN 0.823 nan 8.290 nan 0.000 0.536 354 S N -1.400 114.437 115.700 0.227 0.000 2.722 354 S HA 0.641 5.111 4.470 -0.000 0.000 0.292 354 S C 0.392 175.163 174.600 0.285 0.000 1.135 354 S CA 0.165 58.452 58.200 0.146 0.000 1.003 354 S CB 0.814 64.026 63.200 0.020 0.000 1.067 354 S HN 0.932 nan 8.310 nan 0.000 0.546 355 Y N -1.056 119.317 120.300 0.121 0.000 4.272 355 Y HA -0.196 4.354 4.550 -0.000 0.000 0.232 355 Y C 0.508 176.493 175.900 0.142 0.000 1.149 355 Y CA 0.171 58.341 58.100 0.116 0.000 1.961 355 Y CB -2.223 36.301 38.460 0.106 0.000 1.611 355 Y HN 0.615 nan 8.280 nan 0.000 0.682 356 I N -0.001 120.724 120.570 0.258 0.000 2.754 356 I HA 0.475 4.644 4.170 -0.000 0.000 0.285 356 I C 0.657 176.938 176.117 0.273 0.000 1.166 356 I CA 0.500 61.950 61.300 0.251 0.000 1.417 356 I CB 1.301 39.447 38.000 0.243 0.000 1.382 356 I HN 0.222 nan 8.210 nan 0.000 0.588 357 T N 1.846 116.520 114.554 0.201 0.000 2.893 357 T HA 0.670 5.020 4.350 -0.000 0.000 0.293 357 T C -0.711 174.000 174.700 0.019 0.000 1.027 357 T CA -0.693 61.510 62.100 0.171 0.000 0.988 357 T CB 2.078 71.004 68.868 0.097 0.000 1.043 357 T HN 0.838 nan 8.240 nan 0.000 0.461 358 E N 1.271 121.441 120.200 -0.050 0.000 2.340 358 E HA 0.391 4.741 4.350 -0.000 0.000 0.273 358 E C -1.083 175.601 176.600 0.140 0.000 0.891 358 E CA -0.565 55.761 56.400 -0.122 0.000 0.757 358 E CB 2.099 31.502 29.700 -0.495 0.000 1.231 358 E HN 0.721 nan 8.360 nan 0.000 0.439 359 Q N 0.994 120.898 119.800 0.172 0.000 2.299 359 Q HA 0.490 4.830 4.340 -0.000 0.000 0.246 359 Q C -0.490 175.696 176.000 0.311 0.000 0.935 359 Q CA -0.600 55.356 55.803 0.256 0.000 0.887 359 Q CB 1.371 30.280 28.738 0.285 0.000 1.223 359 Q HN 0.479 nan 8.270 nan 0.000 0.439 360 S N 1.526 117.323 115.700 0.161 0.000 2.549 360 S HA 0.316 4.786 4.470 -0.000 0.000 0.279 360 S C -0.720 173.886 174.600 0.010 0.000 1.321 360 S CA -0.447 57.704 58.200 -0.082 0.000 1.054 360 S CB 0.345 63.376 63.200 -0.282 0.000 0.899 360 S HN 0.368 nan 8.310 nan 0.000 0.497 361 L N 4.883 126.069 121.223 -0.062 0.000 2.406 361 L HA 0.668 5.008 4.340 -0.000 0.000 0.272 361 L C -0.772 175.905 176.870 -0.322 0.000 0.980 361 L CA -0.680 54.018 54.840 -0.237 0.000 0.831 361 L CB 1.594 43.466 42.059 -0.312 0.000 1.253 361 L HN 0.478 nan 8.230 nan 0.000 0.406 362 V N 2.237 121.897 119.914 -0.423 0.000 2.547 362 V HA 0.751 4.871 4.120 -0.000 0.000 0.299 362 V C -0.981 174.943 176.094 -0.283 0.000 1.040 362 V CA -0.579 61.399 62.300 -0.537 0.000 0.913 362 V CB 1.589 32.919 31.823 -0.821 0.000 0.992 362 V HN 0.779 nan 8.190 nan 0.000 0.449 363 F N 5.310 125.018 119.950 -0.403 0.000 2.591 363 F HA 0.873 5.400 4.527 -0.000 0.000 0.309 363 F C -0.381 175.288 175.800 -0.219 0.000 1.098 363 F CA -0.444 57.418 58.000 -0.231 0.000 0.937 363 F CB 1.514 40.412 39.000 -0.170 0.000 1.250 363 F HN 1.189 nan 8.300 nan 0.000 0.447 364 C N 3.076 121.872 119.300 -0.839 0.000 3.318 364 C HA 0.797 5.257 4.460 -0.000 0.000 0.322 364 C C -1.632 172.939 174.990 -0.698 0.000 1.398 364 C CA -0.700 57.770 59.018 -0.912 0.000 1.339 364 C CB 1.652 29.035 27.740 -0.594 0.000 1.668 364 C HN 0.945 nan 8.230 nan 0.000 0.462 365 Q N 0.888 120.429 119.800 -0.431 0.000 2.301 365 Q HA 0.745 5.085 4.340 -0.000 0.000 0.267 365 Q C -0.254 175.803 176.000 0.096 0.000 1.035 365 Q CA -0.215 55.580 55.803 -0.013 0.000 0.856 365 Q CB 2.522 31.265 28.738 0.007 0.000 1.337 365 Q HN 0.923 nan 8.270 nan 0.000 0.450 366 T N -2.510 112.176 114.554 0.221 0.000 2.932 366 T HA 0.685 5.035 4.350 -0.000 0.000 0.289 366 T C -0.467 174.308 174.700 0.126 0.000 1.039 366 T CA -0.754 61.436 62.100 0.151 0.000 1.024 366 T CB 1.220 70.178 68.868 0.151 0.000 1.090 366 T HN 0.265 nan 8.240 nan 0.000 0.496 367 V N 2.665 122.616 119.914 0.061 0.000 2.357 367 V HA 0.394 4.514 4.120 -0.000 0.000 0.284 367 V C 0.282 176.397 176.094 0.035 0.000 1.018 367 V CA -0.906 61.422 62.300 0.046 0.000 0.841 367 V CB 1.093 32.930 31.823 0.025 0.000 0.991 367 V HN 1.019 nan 8.190 nan 0.000 0.437 368 M N 4.847 124.477 119.600 0.050 0.000 2.251 368 M HA 0.109 4.589 4.480 -0.000 0.000 0.343 368 M C 0.904 177.217 176.300 0.021 0.000 1.245 368 M CA 0.721 56.050 55.300 0.049 0.000 1.061 368 M CB 0.653 33.280 32.600 0.046 0.000 1.723 368 M HN 0.935 nan 8.290 nan 0.000 0.449 369 S N 2.566 118.275 115.700 0.015 0.000 2.573 369 S HA 0.058 4.528 4.470 -0.000 0.000 0.277 369 S C 0.997 175.602 174.600 0.007 0.000 1.346 369 S CA -0.055 58.144 58.200 -0.002 0.000 1.034 369 S CB 0.520 63.714 63.200 -0.010 0.000 0.879 369 S HN 0.809 nan 8.310 nan 0.000 0.528 370 T N 1.919 116.473 114.554 -0.000 0.000 2.720 370 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 370 T C 1.663 176.372 174.700 0.014 0.000 1.037 370 T CA 1.925 64.029 62.100 0.006 0.000 1.144 370 T CB -0.517 68.351 68.868 0.000 0.000 0.864 370 T HN 0.763 nan 8.240 nan 0.000 0.444 371 E N 0.526 120.731 120.200 0.008 0.000 2.038 371 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 371 E C 2.278 178.898 176.600 0.032 0.000 1.000 371 E CA 1.019 57.427 56.400 0.014 0.000 0.803 371 E CB -0.275 29.427 29.700 0.003 0.000 0.750 371 E HN 0.421 nan 8.360 nan 0.000 0.448 372 L N 0.715 121.960 121.223 0.038 0.000 2.093 372 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 372 L C 2.429 179.340 176.870 0.069 0.000 1.085 372 L CA 0.366 55.243 54.840 0.063 0.000 0.755 372 L CB -0.231 41.867 42.059 0.064 0.000 0.904 372 L HN 0.202 nan 8.230 nan 0.000 0.435 373 I N 0.046 120.643 120.570 0.046 0.000 2.179 373 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 373 I C 2.183 178.330 176.117 0.051 0.000 1.088 373 I CA 1.505 62.828 61.300 0.038 0.000 1.357 373 I CB -1.186 36.827 38.000 0.022 0.000 1.051 373 I HN 0.278 nan 8.210 nan 0.000 0.409 374 D N 0.903 121.332 120.400 0.048 0.000 2.158 374 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 374 D C 2.330 178.676 176.300 0.076 0.000 0.995 374 D CA 1.853 55.885 54.000 0.053 0.000 0.846 374 D CB -0.191 40.631 40.800 0.038 0.000 0.941 374 D HN 0.404 nan 8.370 nan 0.000 0.456 375 S N -0.228 115.528 115.700 0.094 0.000 2.481 375 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 375 S C 2.098 176.834 174.600 0.227 0.000 0.996 375 S CA 0.430 58.716 58.200 0.144 0.000 0.942 375 S CB -0.301 62.980 63.200 0.135 0.000 0.768 375 S HN 0.079 nan 8.310 nan 0.000 0.520 376 V N 2.861 122.881 119.914 0.177 0.000 2.490 376 V HA -0.121 3.999 4.120 -0.000 0.000 0.250 376 V C 2.149 178.357 176.094 0.189 0.000 1.061 376 V CA 2.006 64.431 62.300 0.208 0.000 1.064 376 V CB -0.676 31.205 31.823 0.096 0.000 0.670 376 V HN 0.784 nan 8.190 nan 0.000 0.461 377 K N 0.250 120.729 120.400 0.131 0.000 2.498 377 K HA 0.171 4.491 4.320 -0.000 0.000 0.207 377 K C 1.546 178.204 176.600 0.097 0.000 1.033 377 K CA 0.679 57.031 56.287 0.108 0.000 1.138 377 K CB 0.163 32.713 32.500 0.083 0.000 0.860 377 K HN 0.426 nan 8.250 nan 0.000 0.490 378 S N 0.712 116.487 115.700 0.125 0.000 2.419 378 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 378 S C 0.912 175.532 174.600 0.035 0.000 1.016 378 S CA 1.209 59.452 58.200 0.071 0.000 0.974 378 S CB -0.173 63.059 63.200 0.053 0.000 0.786 378 S HN 0.300 nan 8.310 nan 0.000 0.492 379 D N 0.378 120.807 120.400 0.048 0.000 2.349 379 D HA 0.263 4.903 4.640 -0.000 0.000 0.214 379 D C 0.088 176.422 176.300 0.056 0.000 1.063 379 D CA 0.167 54.179 54.000 0.021 0.000 0.847 379 D CB 0.020 40.815 40.800 -0.009 0.000 0.933 379 D HN 0.338 nan 8.370 nan 0.000 0.513 380 M N 0.697 120.332 119.600 0.059 0.000 2.235 380 M HA 0.186 4.666 4.480 -0.000 0.000 0.351 380 M C 0.241 176.567 176.300 0.042 0.000 1.178 380 M CA 0.152 55.493 55.300 0.067 0.000 1.143 380 M CB 0.801 33.433 32.600 0.054 0.000 1.530 380 M HN -0.301 nan 8.290 nan 0.000 0.461 381 T N 4.623 119.197 114.554 0.033 0.000 2.749 381 T HA 0.615 4.965 4.350 -0.000 0.000 0.287 381 T C 0.179 174.855 174.700 -0.040 0.000 0.970 381 T CA -0.327 61.772 62.100 -0.000 0.000 0.980 381 T CB 0.396 69.261 68.868 -0.006 0.000 0.924 381 T HN 0.430 nan 8.240 nan 0.000 0.456 382 I N 3.558 124.103 120.570 -0.042 0.000 2.371 382 I HA 0.353 4.523 4.170 -0.000 0.000 0.282 382 I C 0.525 176.602 176.117 -0.066 0.000 1.031 382 I CA -0.633 60.616 61.300 -0.084 0.000 1.180 382 I CB 0.776 38.765 38.000 -0.018 0.000 1.336 382 I HN 0.279 nan 8.210 nan 0.000 0.467 383 R N 4.879 125.306 120.500 -0.122 0.000 2.404 383 R HA 0.604 4.944 4.340 -0.000 0.000 0.291 383 R C 0.516 176.826 176.300 0.017 0.000 1.025 383 R CA 0.589 56.657 56.100 -0.054 0.000 0.991 383 R CB 1.312 31.572 30.300 -0.067 0.000 1.053 383 R HN 0.826 nan 8.270 nan 0.000 0.479 384 G N 1.844 110.690 108.800 0.077 0.000 2.645 384 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 384 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 384 G C -0.889 174.154 174.900 0.238 0.000 1.322 384 G CA -0.002 45.181 45.100 0.139 0.000 0.898 384 G HN 0.738 nan 8.290 nan 0.000 0.573 385 T N -0.542 114.138 114.554 0.210 0.000 2.876 385 T HA 0.673 5.023 4.350 -0.000 0.000 0.289 385 T C -2.992 171.617 174.700 -0.152 0.000 1.014 385 T CA -1.407 60.757 62.100 0.108 0.000 0.986 385 T CB 2.441 71.321 68.868 0.020 0.000 1.021 385 T HN 0.530 nan 8.240 nan 0.000 0.458 386 P HA 0.245 nan 4.420 nan 0.000 0.262 386 P C 1.185 178.249 177.300 -0.393 0.000 1.182 386 P CA 1.297 63.817 63.100 -0.966 0.000 0.761 386 P CB 0.100 31.389 31.700 -0.684 0.000 0.795 387 G N 1.092 109.719 108.800 -0.290 0.000 2.195 387 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 387 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 387 G C 0.149 175.011 174.900 -0.063 0.000 0.984 387 G CA -0.137 44.886 45.100 -0.129 0.000 0.633 387 G HN 0.532 nan 8.290 nan 0.000 0.525 388 E N -0.811 119.363 120.200 -0.043 0.000 2.263 388 E HA 0.736 5.085 4.350 -0.000 0.000 0.264 388 E C 1.525 178.156 176.600 0.051 0.000 0.923 388 E CA -0.907 55.498 56.400 0.008 0.000 0.802 388 E CB 1.192 30.900 29.700 0.013 0.000 1.228 388 E HN -0.004 nan 8.360 nan 0.000 0.417 389 L N 0.653 121.901 121.223 0.042 0.000 2.261 389 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 389 L C 1.737 178.646 176.870 0.065 0.000 1.114 389 L CA 1.895 56.763 54.840 0.046 0.000 0.777 389 L CB -0.522 41.555 42.059 0.030 0.000 0.910 389 L HN 0.631 nan 8.230 nan 0.000 0.440 390 T N -4.651 109.951 114.554 0.080 0.000 3.067 390 T HA -0.123 4.227 4.350 -0.000 0.000 0.257 390 T C 0.660 175.435 174.700 0.125 0.000 1.105 390 T CA -0.201 61.947 62.100 0.081 0.000 1.104 390 T CB -0.343 68.566 68.868 0.069 0.000 0.925 390 T HN 0.067 nan 8.240 nan 0.000 0.498 391 Y N 2.861 123.163 120.300 0.003 0.000 2.620 391 Y HA 0.418 4.968 4.550 -0.000 0.000 0.330 391 Y C 0.250 176.154 175.900 0.006 0.000 1.186 391 Y CA -0.545 57.557 58.100 0.004 0.000 1.467 391 Y CB 0.277 38.738 38.460 0.001 0.000 1.262 391 Y HN 0.225 nan 8.280 nan 0.000 0.550 392 S N 4.853 120.279 115.700 -0.456 0.000 2.566 392 S HA 0.692 5.162 4.470 -0.000 0.000 0.273 392 S C -2.081 172.235 174.600 -0.474 0.000 1.157 392 S CA -0.730 57.259 58.200 -0.351 0.000 0.938 392 S CB 0.739 63.852 63.200 -0.144 0.000 1.087 392 S HN 0.441 nan 8.310 nan 0.000 0.474 393 V N 4.534 124.233 119.914 -0.358 0.000 2.444 393 V HA 0.772 4.892 4.120 -0.000 0.000 0.294 393 V C 0.141 176.200 176.094 -0.058 0.000 1.022 393 V CA -0.347 61.821 62.300 -0.221 0.000 0.850 393 V CB 1.429 33.141 31.823 -0.185 0.000 0.992 393 V HN 1.048 nan 8.190 nan 0.000 0.426 394 T N 1.781 116.330 114.554 -0.007 0.000 2.865 394 T HA 0.903 5.253 4.350 -0.000 0.000 0.294 394 T C -1.031 173.761 174.700 0.154 0.000 1.119 394 T CA -0.786 61.342 62.100 0.046 0.000 1.007 394 T CB 2.413 71.262 68.868 -0.031 0.000 1.225 394 T HN 0.993 nan 8.240 nan 0.000 0.515 395 Y N -1.977 118.312 120.300 -0.017 0.000 2.656 395 Y HA 0.717 5.267 4.550 -0.000 0.000 0.334 395 Y C -1.338 174.555 175.900 -0.011 0.000 1.179 395 Y CA -1.183 56.909 58.100 -0.012 0.000 1.050 395 Y CB 0.889 39.349 38.460 -0.000 0.000 1.308 395 Y HN 0.684 nan 8.280 nan 0.000 0.456 396 T N 4.384 118.889 114.554 -0.082 0.000 2.801 396 T HA 0.412 4.762 4.350 -0.000 0.000 0.306 396 T C -2.868 171.805 174.700 -0.046 0.000 1.020 396 T CA -1.396 60.602 62.100 -0.170 0.000 0.948 396 T CB 0.798 69.636 68.868 -0.049 0.000 0.962 396 T HN 0.365 nan 8.240 nan 0.000 0.465 397 P HA 0.168 nan 4.420 nan 0.000 0.261 397 P C 1.121 178.459 177.300 0.062 0.000 1.183 397 P CA 0.949 64.103 63.100 0.090 0.000 0.761 397 P CB 0.236 31.945 31.700 0.014 0.000 0.785 398 G N 2.186 111.039 108.800 0.088 0.000 2.179 398 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 398 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 398 G C 0.456 175.369 174.900 0.021 0.000 0.977 398 G CA -0.019 45.107 45.100 0.043 0.000 0.641 398 G HN 0.862 nan 8.290 nan 0.000 0.533 399 A N 0.754 123.589 122.820 0.024 0.000 2.524 399 A HA 0.587 4.907 4.320 -0.000 0.000 0.250 399 A C 1.673 179.248 177.584 -0.015 0.000 1.078 399 A CA 1.313 53.352 52.037 0.003 0.000 0.761 399 A CB 0.238 19.242 19.000 0.007 0.000 1.012 399 A HN 1.725 nan 8.150 nan 0.000 0.500 400 S N 1.378 117.065 115.700 -0.021 0.000 2.561 400 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 400 S C 1.256 175.826 174.600 -0.050 0.000 0.977 400 S CA 1.066 59.246 58.200 -0.033 0.000 0.926 400 S CB -0.657 62.528 63.200 -0.026 0.000 0.769 400 S HN 1.017 nan 8.310 nan 0.000 0.533 401 T N -0.885 113.641 114.554 -0.048 0.000 3.100 401 T HA 0.170 4.520 4.350 -0.000 0.000 0.253 401 T C 0.428 175.073 174.700 -0.090 0.000 1.118 401 T CA -0.385 61.679 62.100 -0.061 0.000 1.058 401 T CB -0.512 68.329 68.868 -0.045 0.000 0.953 401 T HN 0.209 nan 8.240 nan 0.000 0.515 402 N N 2.377 121.021 118.700 -0.093 0.000 2.483 402 N HA 0.168 4.907 4.740 -0.000 0.000 0.264 402 N C 0.974 176.335 175.510 -0.249 0.000 1.197 402 N CA -0.206 52.760 53.050 -0.140 0.000 0.927 402 N CB 0.934 39.361 38.487 -0.100 0.000 1.065 402 N HN 0.130 nan 8.380 nan 0.000 0.461 403 K N 1.224 121.386 120.400 -0.398 0.000 2.366 403 K HA 0.018 4.338 4.320 -0.000 0.000 0.198 403 K C -0.018 175.989 176.600 -0.987 0.000 1.044 403 K CA 0.831 56.721 56.287 -0.661 0.000 0.973 403 K CB 0.089 32.128 32.500 -0.768 0.000 0.767 403 K HN 0.575 nan 8.250 nan 0.000 0.475 404 H N -0.205 118.544 119.070 -0.536 0.000 2.797 404 H HA 0.339 4.895 4.556 -0.000 0.000 0.372 404 H C -2.327 172.662 175.328 -0.565 0.000 1.168 404 H CA -2.467 53.096 56.048 -0.809 0.000 1.163 404 H CB 1.437 30.271 29.762 -1.546 0.000 1.778 404 H HN -0.175 nan 8.280 nan 0.000 0.551 405 P HA 0.031 nan 4.420 nan 0.000 0.274 405 P C 0.413 177.488 177.300 -0.374 0.000 1.260 405 P CA -0.247 62.631 63.100 -0.370 0.000 0.793 405 P CB 1.113 32.522 31.700 -0.484 0.000 1.048 406 D N -0.565 119.745 120.400 -0.150 0.000 2.183 406 D HA -0.093 4.547 4.640 -0.000 0.000 0.203 406 D C 1.886 178.193 176.300 0.012 0.000 0.969 406 D CA 1.075 55.078 54.000 0.005 0.000 0.842 406 D CB -0.495 40.411 40.800 0.178 0.000 0.957 406 D HN 0.591 nan 8.370 nan 0.000 0.484 407 W N 0.217 121.593 121.300 0.127 0.000 2.374 407 W HA -0.127 4.533 4.660 -0.000 0.000 0.288 407 W C 1.865 178.464 176.519 0.134 0.000 1.218 407 W CA 0.091 57.505 57.345 0.115 0.000 1.245 407 W CB -1.266 28.255 29.460 0.101 0.000 1.126 407 W HN 0.044 nan 8.180 nan 0.000 0.545 408 W N 3.345 124.172 121.300 -0.788 0.000 2.444 408 W HA -0.108 4.552 4.660 -0.000 0.000 0.308 408 W C 1.902 178.157 176.519 -0.440 0.000 1.183 408 W CA 1.428 58.343 57.345 -0.716 0.000 1.340 408 W CB -1.046 27.762 29.460 -1.088 0.000 1.138 408 W HN -0.158 nan 8.180 nan 0.000 0.510 409 N N 1.143 119.777 118.700 -0.110 0.000 2.205 409 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 409 N C 1.476 176.669 175.510 -0.529 0.000 1.015 409 N CA 1.965 54.751 53.050 -0.440 0.000 0.862 409 N CB -0.570 37.333 38.487 -0.973 0.000 0.986 409 N HN 0.280 nan 8.380 nan 0.000 0.429 410 E N 1.288 121.311 120.200 -0.295 0.000 2.106 410 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 410 E C 1.577 178.216 176.600 0.064 0.000 0.984 410 E CA 1.257 57.674 56.400 0.028 0.000 0.806 410 E CB 0.095 29.904 29.700 0.182 0.000 0.750 410 E HN 0.256 nan 8.360 nan 0.000 0.458 411 K N -0.536 119.889 120.400 0.042 0.000 2.062 411 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 411 K C 2.094 178.706 176.600 0.021 0.000 1.051 411 K CA 1.142 57.455 56.287 0.043 0.000 0.941 411 K CB -0.016 32.495 32.500 0.018 0.000 0.719 411 K HN 0.004 nan 8.250 nan 0.000 0.440 412 V N 2.090 121.981 119.914 -0.038 0.000 2.295 412 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 412 V C 2.386 178.524 176.094 0.073 0.000 1.049 412 V CA 1.724 64.020 62.300 -0.007 0.000 1.024 412 V CB -0.398 31.417 31.823 -0.013 0.000 0.648 412 V HN 0.341 nan 8.190 nan 0.000 0.447 413 K N 0.191 120.623 120.400 0.053 0.000 2.020 413 K HA -0.268 4.052 4.320 -0.000 0.000 0.212 413 K C 2.060 178.722 176.600 0.104 0.000 1.050 413 K CA 2.175 58.523 56.287 0.102 0.000 0.929 413 K CB -0.267 32.348 32.500 0.191 0.000 0.714 413 K HN 0.407 nan 8.250 nan 0.000 0.443 414 N N 0.317 119.085 118.700 0.114 0.000 2.069 414 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 414 N C 1.779 177.355 175.510 0.111 0.000 1.031 414 N CA 1.627 54.739 53.050 0.104 0.000 0.852 414 N CB -0.686 37.869 38.487 0.114 0.000 1.018 414 N HN 0.434 nan 8.380 nan 0.000 0.423 415 H N 0.357 119.466 119.070 0.065 0.000 2.353 415 H HA 0.075 4.631 4.556 -0.000 0.000 0.300 415 H C 2.031 177.425 175.328 0.111 0.000 1.090 415 H CA 1.786 57.894 56.048 0.099 0.000 1.327 415 H CB -0.103 29.648 29.762 -0.018 0.000 1.383 415 H HN 0.138 nan 8.280 nan 0.000 0.508 416 M N -0.794 118.817 119.600 0.018 0.000 2.229 416 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 416 M C 1.734 178.089 176.300 0.091 0.000 1.063 416 M CA 1.099 56.421 55.300 0.036 0.000 1.114 416 M CB 0.074 32.759 32.600 0.141 0.000 1.387 416 M HN 0.354 nan 8.290 nan 0.000 0.420 417 M N -0.427 119.213 119.600 0.067 0.000 2.334 417 M HA -0.064 4.416 4.480 -0.000 0.000 0.266 417 M C 1.800 178.088 176.300 -0.020 0.000 1.082 417 M CA 1.260 56.609 55.300 0.082 0.000 1.141 417 M CB -0.756 31.875 32.600 0.053 0.000 1.380 417 M HN 0.270 nan 8.290 nan 0.000 0.440 418 Q N -0.537 119.182 119.800 -0.135 0.000 2.424 418 Q HA 0.034 4.374 4.340 -0.000 0.000 0.204 418 Q C 0.008 175.608 176.000 -0.667 0.000 0.933 418 Q CA 0.727 56.323 55.803 -0.345 0.000 0.929 418 Q CB 0.418 28.934 28.738 -0.369 0.000 1.037 418 Q HN 0.579 nan 8.270 nan 0.000 0.511 419 H N 0.518 119.504 119.070 -0.139 0.000 2.429 419 H HA 0.241 4.797 4.556 -0.000 0.000 0.231 419 H C 0.287 175.530 175.328 -0.141 0.000 1.416 419 H CA -0.096 55.875 56.048 -0.128 0.000 1.443 419 H CB 0.512 30.163 29.762 -0.185 0.000 1.591 419 H HN 0.205 nan 8.280 nan 0.000 0.507 420 Q N 0.658 120.435 119.800 -0.038 0.000 2.436 420 Q HA -0.095 4.245 4.340 -0.000 0.000 0.209 420 Q C 1.637 177.582 176.000 -0.092 0.000 0.965 420 Q CA 0.745 56.482 55.803 -0.111 0.000 0.910 420 Q CB 0.474 29.087 28.738 -0.208 0.000 0.980 420 Q HN 0.523 nan 8.270 nan 0.000 0.491 421 E N 0.968 121.164 120.200 -0.008 0.000 2.385 421 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 421 E C -0.245 176.382 176.600 0.045 0.000 1.013 421 E CA 0.382 56.789 56.400 0.011 0.000 0.866 421 E CB -0.037 29.689 29.700 0.043 0.000 0.832 421 E HN 0.144 nan 8.360 nan 0.000 0.500 422 D N 2.437 122.880 120.400 0.072 0.000 2.308 422 D HA 0.099 4.739 4.640 -0.000 0.000 0.251 422 D C -1.500 174.842 176.300 0.069 0.000 1.127 422 D CA -1.913 52.149 54.000 0.103 0.000 0.876 422 D CB 1.504 42.385 40.800 0.135 0.000 1.176 422 D HN -0.130 nan 8.370 nan 0.000 0.446 423 P HA 0.119 nan 4.420 nan 0.000 0.255 423 P C -0.274 177.061 177.300 0.058 0.000 1.248 423 P CA 0.104 63.236 63.100 0.053 0.000 0.807 423 P CB 0.453 32.178 31.700 0.042 0.000 1.150 424 L N 1.724 122.986 121.223 0.066 0.000 2.330 424 L HA 0.400 4.740 4.340 -0.000 0.000 0.271 424 L C -1.474 175.426 176.870 0.050 0.000 1.013 424 L CA -2.281 52.575 54.840 0.027 0.000 0.816 424 L CB 2.817 44.854 42.059 -0.037 0.000 1.287 424 L HN -0.308 nan 8.230 nan 0.000 0.435 425 P HA 0.121 nan 4.420 nan 0.000 0.261 425 P C 0.175 177.354 177.300 -0.203 0.000 1.268 425 P CA 0.426 63.533 63.100 0.011 0.000 0.833 425 P CB 0.594 32.306 31.700 0.021 0.000 1.231 426 I N 2.610 122.956 120.570 -0.372 0.000 2.371 426 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 426 I C -2.123 173.469 176.117 -0.875 0.000 1.028 426 I CA -2.780 58.231 61.300 -0.481 0.000 1.345 426 I CB 0.948 38.753 38.000 -0.324 0.000 1.407 426 I HN -0.211 nan 8.210 nan 0.000 0.501 427 P HA 0.026 nan 4.420 nan 0.000 0.269 427 P C 0.233 177.276 177.300 -0.429 0.000 1.215 427 P CA 0.001 62.697 63.100 -0.673 0.000 0.780 427 P CB 0.409 31.979 31.700 -0.217 0.000 0.898 428 F N 0.425 120.276 119.950 -0.165 0.000 2.259 428 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 428 F C 1.846 177.610 175.800 -0.060 0.000 1.088 428 F CA 1.426 59.364 58.000 -0.104 0.000 1.358 428 F CB -0.598 38.356 39.000 -0.078 0.000 1.040 428 F HN 0.332 nan 8.300 nan 0.000 0.505 429 E N 0.064 120.353 120.200 0.148 0.000 2.437 429 E HA -0.010 4.340 4.350 -0.000 0.000 0.189 429 E C -0.247 176.373 176.600 0.034 0.000 1.054 429 E CA -0.032 56.423 56.400 0.091 0.000 0.874 429 E CB -0.500 29.254 29.700 0.090 0.000 1.011 429 E HN 0.285 nan 8.360 nan 0.000 0.474 430 D N 2.779 123.176 120.400 -0.005 0.000 2.458 430 D HA 0.046 4.686 4.640 -0.000 0.000 0.243 430 D C -2.276 174.035 176.300 0.018 0.000 1.146 430 D CA -1.465 52.518 54.000 -0.028 0.000 0.877 430 D CB 0.844 41.589 40.800 -0.093 0.000 1.176 430 D HN -0.137 nan 8.370 nan 0.000 0.461 431 P HA 0.076 nan 4.420 nan 0.000 0.271 431 P C -0.522 176.895 177.300 0.195 0.000 1.233 431 P CA -0.334 62.845 63.100 0.133 0.000 0.789 431 P CB 0.381 32.131 31.700 0.083 0.000 0.951 432 E N 1.830 122.178 120.200 0.246 0.000 2.374 432 E HA 0.244 4.594 4.350 -0.000 0.000 0.260 432 E C -2.456 174.190 176.600 0.077 0.000 1.101 432 E CA -2.120 54.346 56.400 0.111 0.000 0.907 432 E CB -0.860 28.864 29.700 0.040 0.000 1.014 432 E HN 0.248 nan 8.360 nan 0.000 0.427 433 P HA 0.077 nan 4.420 nan 0.000 0.272 433 P C -0.430 176.890 177.300 0.033 0.000 1.230 433 P CA -0.103 63.078 63.100 0.135 0.000 0.788 433 P CB 0.474 32.219 31.700 0.076 0.000 0.949 434 Q N 0.615 120.526 119.800 0.186 0.000 3.557 434 Q HA 0.292 4.632 4.340 -0.000 0.000 0.264 434 Q C -1.019 175.079 176.000 0.163 0.000 0.850 434 Q CA -0.282 55.507 55.803 -0.023 0.000 0.833 434 Q CB 1.024 29.480 28.738 -0.470 0.000 1.505 434 Q HN 0.179 nan 8.270 nan 0.000 0.402 435 V N 0.622 120.609 119.914 0.122 0.000 2.547 435 V HA 0.743 4.863 4.120 -0.000 0.000 0.299 435 V C 0.188 176.310 176.094 0.046 0.000 1.040 435 V CA -0.342 62.027 62.300 0.114 0.000 0.913 435 V CB 2.020 33.852 31.823 0.015 0.000 0.992 435 V HN 0.431 nan 8.190 nan 0.000 0.449 436 T N 1.828 116.431 114.554 0.081 0.000 2.900 436 T HA 0.495 4.845 4.350 -0.000 0.000 0.303 436 T C -0.966 173.680 174.700 -0.090 0.000 1.142 436 T CA -0.328 61.754 62.100 -0.031 0.000 1.007 436 T CB 1.902 70.735 68.868 -0.057 0.000 1.156 436 T HN 0.815 nan 8.240 nan 0.000 0.490 437 T N 4.448 118.805 114.554 -0.327 0.000 2.791 437 T HA 0.612 4.962 4.350 -0.000 0.000 0.288 437 T C -0.128 174.438 174.700 -0.224 0.000 0.999 437 T CA -0.611 61.160 62.100 -0.548 0.000 0.952 437 T CB -0.047 68.067 68.868 -1.256 0.000 0.938 437 T HN 0.526 nan 8.240 nan 0.000 0.444 438 L N 4.240 125.408 121.223 -0.092 0.000 2.464 438 L HA 0.404 4.744 4.340 -0.000 0.000 0.264 438 L C 0.725 177.604 176.870 0.015 0.000 1.199 438 L CA -0.920 53.949 54.840 0.049 0.000 0.818 438 L CB 0.232 42.316 42.059 0.042 0.000 1.102 438 L HN 0.625 nan 8.230 nan 0.000 0.473 439 F N 2.581 122.461 119.950 -0.116 0.000 2.623 439 F HA -0.036 4.491 4.527 -0.000 0.000 0.386 439 F C 0.247 175.796 175.800 -0.417 0.000 1.068 439 F CA 0.472 58.310 58.000 -0.269 0.000 1.265 439 F CB 0.132 39.026 39.000 -0.177 0.000 1.026 439 F HN 0.375 nan 8.300 nan 0.000 0.568 440 Q N 6.671 125.969 119.800 -0.837 0.000 2.495 440 Q HA 0.276 4.616 4.340 -0.000 0.000 0.287 440 Q C -2.068 173.461 176.000 -0.784 0.000 1.078 440 Q CA -1.801 53.590 55.803 -0.687 0.000 0.793 440 Q CB 1.384 29.589 28.738 -0.888 0.000 1.459 440 Q HN 0.252 nan 8.270 nan 0.000 0.422 441 P HA -0.161 nan 4.420 nan 0.000 0.218 441 P C 1.217 178.295 177.300 -0.371 0.000 1.148 441 P CA 1.806 64.728 63.100 -0.295 0.000 0.822 441 P CB 0.308 31.932 31.700 -0.126 0.000 0.784 442 S N -1.342 114.136 115.700 -0.370 0.000 2.527 442 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 442 S C 0.523 174.926 174.600 -0.329 0.000 0.985 442 S CA 0.063 58.121 58.200 -0.237 0.000 0.921 442 S CB -1.177 61.987 63.200 -0.060 0.000 0.772 442 S HN 0.400 nan 8.310 nan 0.000 0.529 443 H N -0.882 117.735 119.070 -0.754 0.000 2.538 443 H HA 0.477 5.033 4.556 -0.000 0.000 0.239 443 H C -3.173 171.013 175.328 -1.903 0.000 1.401 443 H CA -1.865 53.343 56.048 -1.399 0.000 1.499 443 H CB 0.589 29.806 29.762 -0.908 0.000 1.624 443 H HN 0.088 nan 8.280 nan 0.000 0.524 444 P HA 0.064 nan 4.420 nan 0.000 0.226 444 P C -1.246 175.455 177.300 -0.997 0.000 1.783 444 P CA 0.184 62.198 63.100 -1.811 0.000 0.980 444 P CB -1.046 30.136 31.700 -0.864 0.000 1.967 445 W N -0.452 120.559 121.300 -0.481 0.000 3.167 445 W HA 0.533 5.193 4.660 -0.000 0.000 0.324 445 W C -0.747 175.857 176.519 0.141 0.000 1.230 445 W CA -1.281 56.086 57.345 0.037 0.000 1.184 445 W CB 0.126 29.620 29.460 0.057 0.000 1.414 445 W HN -0.008 nan 8.180 nan 0.000 0.551 446 H N 0.948 120.271 119.070 0.422 0.000 2.505 446 H HA 0.713 5.269 4.556 -0.000 0.000 0.351 446 H C -0.129 175.348 175.328 0.249 0.000 1.151 446 H CA 0.423 56.622 56.048 0.252 0.000 1.339 446 H CB 1.506 31.366 29.762 0.164 0.000 1.483 446 H HN 0.582 nan 8.280 nan 0.000 0.558 447 T N 1.933 116.158 114.554 -0.549 0.000 2.906 447 T HA 0.521 4.871 4.350 -0.000 0.000 0.295 447 T C -0.870 173.537 174.700 -0.489 0.000 1.061 447 T CA -1.126 60.672 62.100 -0.504 0.000 1.000 447 T CB 1.777 70.241 68.868 -0.674 0.000 1.103 447 T HN 0.680 nan 8.240 nan 0.000 0.486 448 Q N 1.410 121.122 119.800 -0.146 0.000 2.285 448 Q HA 0.553 4.893 4.340 -0.000 0.000 0.269 448 Q C -1.319 174.595 176.000 -0.144 0.000 1.030 448 Q CA -0.619 55.031 55.803 -0.256 0.000 0.788 448 Q CB 2.710 31.157 28.738 -0.486 0.000 1.266 448 Q HN 0.704 nan 8.270 nan 0.000 0.438 449 I N 4.561 125.023 120.570 -0.181 0.000 2.495 449 I HA 0.368 4.538 4.170 -0.000 0.000 0.277 449 I C -0.642 175.407 176.117 -0.113 0.000 1.045 449 I CA -0.494 60.597 61.300 -0.347 0.000 1.135 449 I CB 0.516 38.184 38.000 -0.554 0.000 1.241 449 I HN 0.663 nan 8.210 nan 0.000 0.469 450 H N 4.877 123.810 119.070 -0.228 0.000 2.863 450 H HA 0.591 5.147 4.556 -0.000 0.000 0.274 450 H C -1.555 173.746 175.328 -0.046 0.000 1.457 450 H CA -1.326 54.660 56.048 -0.103 0.000 1.151 450 H CB 1.352 31.080 29.762 -0.057 0.000 1.844 450 H HN 0.220 nan 8.280 nan 0.000 0.562 451 R N 1.053 121.418 120.500 -0.225 0.000 2.575 451 R HA 0.538 4.878 4.340 -0.000 0.000 0.293 451 R C -1.205 174.875 176.300 -0.366 0.000 0.983 451 R CA -0.510 55.411 56.100 -0.298 0.000 0.887 451 R CB 1.788 32.022 30.300 -0.110 0.000 1.184 451 R HN 0.847 nan 8.270 nan 0.000 0.445 452 D N 0.343 120.533 120.400 -0.350 0.000 2.671 452 D HA 0.378 5.018 4.640 -0.000 0.000 0.273 452 D C -1.398 174.755 176.300 -0.246 0.000 1.264 452 D CA -0.415 53.401 54.000 -0.307 0.000 0.788 452 D CB 2.394 43.002 40.800 -0.320 0.000 1.324 452 D HN 0.507 nan 8.370 nan 0.000 0.424 453 A N 1.364 123.961 122.820 -0.372 0.000 2.320 453 A HA 0.652 4.972 4.320 -0.000 0.000 0.287 453 A C -0.985 176.243 177.584 -0.594 0.000 1.181 453 A CA 0.062 51.932 52.037 -0.278 0.000 0.831 453 A CB -0.140 18.817 19.000 -0.072 0.000 1.102 453 A HN 0.329 nan 8.150 nan 0.000 0.513 454 F N 0.193 119.972 119.950 -0.284 0.000 2.706 454 F HA 0.388 4.915 4.527 -0.000 0.000 0.328 454 F C 1.727 177.311 175.800 -0.360 0.000 1.123 454 F CA 0.183 57.971 58.000 -0.353 0.000 0.978 454 F CB 1.569 40.159 39.000 -0.683 0.000 1.404 454 F HN 0.571 nan 8.300 nan 0.000 0.497 455 S N -0.239 115.447 115.700 -0.023 0.000 2.423 455 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 455 S C 0.828 175.445 174.600 0.028 0.000 1.014 455 S CA 1.214 59.424 58.200 0.017 0.000 0.965 455 S CB -0.883 62.388 63.200 0.119 0.000 0.785 455 S HN 0.629 nan 8.310 nan 0.000 0.495 456 Y N 1.157 121.442 120.300 -0.026 0.000 2.683 456 Y HA 0.725 5.275 4.550 -0.000 0.000 0.297 456 Y C 0.783 176.636 175.900 -0.079 0.000 1.147 456 Y CA -1.689 56.362 58.100 -0.082 0.000 1.274 456 Y CB -0.867 37.491 38.460 -0.170 0.000 1.143 456 Y HN 0.153 nan 8.280 nan 0.000 0.527 457 G N 1.062 109.741 108.800 -0.202 0.000 2.544 457 G HA2 0.485 4.445 3.960 -0.000 0.000 0.242 457 G HA3 0.485 4.445 3.960 -0.000 0.000 0.242 457 G C -0.788 174.114 174.900 0.003 0.000 1.247 457 G CA -0.086 44.951 45.100 -0.106 0.000 0.840 457 G HN 0.755 nan 8.290 nan 0.000 0.578 458 A N 1.455 124.303 122.820 0.046 0.000 2.476 458 A HA 0.555 4.875 4.320 -0.000 0.000 0.280 458 A C -0.348 177.274 177.584 0.062 0.000 1.081 458 A CA -0.537 51.536 52.037 0.060 0.000 0.753 458 A CB 1.200 20.250 19.000 0.084 0.000 1.248 458 A HN 1.097 nan 8.150 nan 0.000 0.424 459 V N 2.104 122.046 119.914 0.048 0.000 2.715 459 V HA 0.461 4.580 4.120 -0.000 0.000 0.299 459 V C 0.242 176.365 176.094 0.049 0.000 1.054 459 V CA -0.134 62.194 62.300 0.048 0.000 1.077 459 V CB 0.710 32.558 31.823 0.042 0.000 0.972 459 V HN 1.041 nan 8.190 nan 0.000 0.484 460 Q N 3.396 123.226 119.800 0.050 0.000 2.377 460 Q HA 0.581 4.921 4.340 -0.000 0.000 0.271 460 Q C -0.382 175.642 176.000 0.040 0.000 1.077 460 Q CA -0.724 55.106 55.803 0.045 0.000 0.820 460 Q CB 1.958 30.725 28.738 0.049 0.000 1.347 460 Q HN 0.385 nan 8.270 nan 0.000 0.444 461 Q N 0.559 120.380 119.800 0.035 0.000 2.280 461 Q HA 0.161 4.501 4.340 -0.000 0.000 0.228 461 Q C 1.069 177.088 176.000 0.032 0.000 0.857 461 Q CA 0.609 56.432 55.803 0.032 0.000 0.939 461 Q CB 0.787 29.541 28.738 0.027 0.000 1.114 461 Q HN 0.789 nan 8.270 nan 0.000 0.514 462 S N -0.008 115.710 115.700 0.031 0.000 2.395 462 S HA 0.049 4.519 4.470 -0.000 0.000 0.225 462 S C 0.938 175.557 174.600 0.032 0.000 1.027 462 S CA 0.295 58.513 58.200 0.029 0.000 0.965 462 S CB 0.280 63.496 63.200 0.027 0.000 0.812 462 S HN 0.107 nan 8.310 nan 0.000 0.482 463 I N 2.797 123.388 120.570 0.035 0.000 2.385 463 I HA 0.297 4.467 4.170 -0.000 0.000 0.294 463 I C 0.210 176.352 176.117 0.042 0.000 0.988 463 I CA -0.931 60.391 61.300 0.036 0.000 1.265 463 I CB 0.946 38.968 38.000 0.036 0.000 1.388 463 I HN 0.211 nan 8.210 nan 0.000 0.480 464 D N 3.835 124.262 120.400 0.044 0.000 2.493 464 D HA -0.068 4.572 4.640 -0.000 0.000 0.240 464 D C 1.217 177.547 176.300 0.051 0.000 1.142 464 D CA 0.247 54.279 54.000 0.054 0.000 0.872 464 D CB 1.155 41.991 40.800 0.059 0.000 1.173 464 D HN 0.653 nan 8.370 nan 0.000 0.467 465 S N 4.141 119.875 115.700 0.056 0.000 2.447 465 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 465 S C 1.667 176.292 174.600 0.042 0.000 1.006 465 S CA 0.468 58.698 58.200 0.050 0.000 0.957 465 S CB 0.001 63.232 63.200 0.051 0.000 0.773 465 S HN 0.534 nan 8.310 nan 0.000 0.507 466 R N 0.689 121.210 120.500 0.036 0.000 2.193 466 R HA 0.186 4.526 4.340 -0.000 0.000 0.229 466 R C 1.835 178.138 176.300 0.005 0.000 1.110 466 R CA 1.123 57.227 56.100 0.006 0.000 0.988 466 R CB -0.537 29.741 30.300 -0.036 0.000 0.871 466 R HN 0.448 nan 8.270 nan 0.000 0.458 467 L N 0.548 121.784 121.223 0.020 0.000 2.395 467 L HA 0.029 4.369 4.340 -0.000 0.000 0.218 467 L C 0.388 177.288 176.870 0.050 0.000 1.130 467 L CA 0.188 55.045 54.840 0.029 0.000 0.826 467 L CB 0.006 42.084 42.059 0.031 0.000 0.941 467 L HN 0.052 nan 8.230 nan 0.000 0.451 468 I N 0.430 121.032 120.570 0.053 0.000 2.353 468 I HA 0.270 4.440 4.170 -0.000 0.000 0.293 468 I C -0.091 176.071 176.117 0.076 0.000 0.992 468 I CA -0.255 61.089 61.300 0.073 0.000 1.268 468 I CB 1.508 39.549 38.000 0.068 0.000 1.387 468 I HN -0.327 nan 8.210 nan 0.000 0.478 469 V N 5.265 125.252 119.914 0.122 0.000 2.709 469 V HA 0.374 4.494 4.120 -0.000 0.000 0.308 469 V C -0.663 175.508 176.094 0.129 0.000 1.062 469 V CA -0.846 61.502 62.300 0.080 0.000 0.901 469 V CB 2.531 34.408 31.823 0.091 0.000 1.003 469 V HN 0.594 nan 8.190 nan 0.000 0.425 470 D N 2.559 122.978 120.400 0.032 0.000 2.175 470 D HA 0.457 5.097 4.640 -0.000 0.000 0.248 470 D C -1.020 175.303 176.300 0.039 0.000 1.047 470 D CA 0.043 54.140 54.000 0.161 0.000 0.883 470 D CB 1.487 42.392 40.800 0.174 0.000 1.180 470 D HN 0.435 nan 8.370 nan 0.000 0.438 471 W N 1.476 122.857 121.300 0.136 0.000 2.471 471 W HA 0.445 5.105 4.660 -0.000 0.000 0.318 471 W C 0.273 176.897 176.519 0.176 0.000 1.034 471 W CA -0.825 56.604 57.345 0.140 0.000 1.224 471 W CB 1.244 30.664 29.460 -0.068 0.000 1.335 471 W HN -0.069 nan 8.180 nan 0.000 0.452 472 R N 3.176 123.925 120.500 0.416 0.000 2.473 472 R HA 0.460 4.800 4.340 -0.000 0.000 0.303 472 R C -1.458 175.026 176.300 0.307 0.000 1.002 472 R CA -0.815 55.387 56.100 0.171 0.000 0.884 472 R CB 1.403 31.699 30.300 -0.007 0.000 1.173 472 R HN 0.173 nan 8.270 nan 0.000 0.464 473 F N 2.955 122.772 119.950 -0.221 0.000 2.443 473 F HA 0.517 5.044 4.527 -0.000 0.000 0.335 473 F C -0.217 175.471 175.800 -0.186 0.000 1.104 473 F CA -1.429 56.518 58.000 -0.088 0.000 1.013 473 F CB 1.013 39.924 39.000 -0.148 0.000 1.136 473 F HN 0.279 nan 8.300 nan 0.000 0.470 474 F N 1.049 121.169 119.950 0.284 0.000 2.507 474 F HA 0.644 5.171 4.527 -0.000 0.000 0.328 474 F C 0.549 176.536 175.800 0.312 0.000 1.136 474 F CA -1.207 56.953 58.000 0.266 0.000 0.930 474 F CB 1.476 40.684 39.000 0.347 0.000 1.166 474 F HN 0.523 nan 8.300 nan 0.000 0.436 475 G N 2.099 111.129 108.800 0.385 0.000 2.477 475 G HA2 0.640 4.600 3.960 -0.000 0.000 0.304 475 G HA3 0.640 4.600 3.960 -0.000 0.000 0.304 475 G C -0.789 174.283 174.900 0.287 0.000 1.175 475 G CA -1.048 44.259 45.100 0.346 0.000 0.907 475 G HN 0.704 nan 8.290 nan 0.000 0.509 476 R N -0.720 119.945 120.500 0.275 0.000 2.486 476 R HA 0.657 4.997 4.340 -0.000 0.000 0.286 476 R C -1.012 175.374 176.300 0.145 0.000 0.999 476 R CA -0.583 55.600 56.100 0.139 0.000 0.993 476 R CB 1.229 31.619 30.300 0.149 0.000 1.084 476 R HN 0.263 nan 8.270 nan 0.000 0.487 477 T N 1.859 116.469 114.554 0.094 0.000 2.786 477 T HA 0.102 4.452 4.350 -0.000 0.000 0.283 477 T C -0.715 174.064 174.700 0.132 0.000 0.992 477 T CA -0.631 61.576 62.100 0.180 0.000 0.954 477 T CB 1.227 70.271 68.868 0.294 0.000 0.934 477 T HN 0.681 nan 8.240 nan 0.000 0.440 478 E N 4.704 124.985 120.200 0.136 0.000 2.415 478 E HA 0.084 4.434 4.350 -0.000 0.000 0.263 478 E C -2.234 174.448 176.600 0.137 0.000 0.995 478 E CA -1.429 55.042 56.400 0.119 0.000 0.915 478 E CB 0.468 30.230 29.700 0.103 0.000 0.951 478 E HN 0.165 nan 8.360 nan 0.000 0.449 479 P HA 0.105 nan 4.420 nan 0.000 0.276 479 P C -1.246 176.210 177.300 0.260 0.000 1.253 479 P CA 0.129 63.372 63.100 0.238 0.000 0.766 479 P CB 0.594 32.458 31.700 0.273 0.000 0.845 480 K N 2.600 123.091 120.400 0.152 0.000 2.378 480 K HA 0.178 4.498 4.320 -0.000 0.000 0.252 480 K C 0.941 177.367 176.600 -0.290 0.000 0.931 480 K CA -0.705 55.584 56.287 0.003 0.000 0.794 480 K CB 2.264 34.736 32.500 -0.046 0.000 1.181 480 K HN 0.426 nan 8.250 nan 0.000 0.425 481 E N 2.113 121.963 120.200 -0.585 0.000 2.160 481 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 481 E C 0.896 177.238 176.600 -0.429 0.000 0.991 481 E CA 1.475 57.297 56.400 -0.964 0.000 0.810 481 E CB 0.478 29.807 29.700 -0.618 0.000 0.742 481 E HN 0.546 nan 8.360 nan 0.000 0.466 482 E N 0.250 120.305 120.200 -0.241 0.000 2.418 482 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 482 E C -0.019 176.523 176.600 -0.097 0.000 1.026 482 E CA 0.248 56.562 56.400 -0.143 0.000 0.862 482 E CB -0.223 29.409 29.700 -0.113 0.000 0.799 482 E HN 0.066 nan 8.360 nan 0.000 0.518 483 N N 2.017 120.656 118.700 -0.102 0.000 2.406 483 N HA 0.196 4.936 4.740 -0.000 0.000 0.251 483 N C -0.818 174.757 175.510 0.109 0.000 1.069 483 N CA 0.093 53.141 53.050 -0.003 0.000 0.947 483 N CB 1.128 39.590 38.487 -0.041 0.000 1.111 483 N HN 0.098 nan 8.380 nan 0.000 0.497 484 K N 1.239 121.754 120.400 0.192 0.000 2.464 484 K HA 0.434 4.754 4.320 -0.000 0.000 0.253 484 K C -1.190 175.559 176.600 0.249 0.000 0.933 484 K CA -0.903 55.514 56.287 0.216 0.000 0.801 484 K CB 2.466 35.104 32.500 0.230 0.000 1.271 484 K HN 0.182 nan 8.250 nan 0.000 0.430 485 L N 4.206 125.522 121.223 0.154 0.000 2.305 485 L HA 0.578 4.918 4.340 -0.000 0.000 0.284 485 L C -1.249 175.554 176.870 -0.111 0.000 1.013 485 L CA -0.060 54.691 54.840 -0.149 0.000 0.819 485 L CB 0.489 42.466 42.059 -0.137 0.000 1.227 485 L HN 0.694 nan 8.230 nan 0.000 0.417 486 W N 3.711 124.717 121.300 -0.491 0.000 3.017 486 W HA 0.645 5.304 4.660 -0.000 0.000 0.341 486 W C -2.200 173.848 176.519 -0.785 0.000 1.180 486 W CA -1.225 55.887 57.345 -0.388 0.000 1.097 486 W CB 0.926 30.308 29.460 -0.129 0.000 1.468 486 W HN 0.342 nan 8.180 nan 0.000 0.584 487 F N 1.484 121.622 119.950 0.313 0.000 2.529 487 F HA 0.333 4.860 4.527 -0.000 0.000 0.320 487 F C 0.840 176.809 175.800 0.281 0.000 1.118 487 F CA -0.929 57.139 58.000 0.114 0.000 0.915 487 F CB 2.064 41.107 39.000 0.072 0.000 1.161 487 F HN 0.269 nan 8.300 nan 0.000 0.445 488 S N 1.033 116.882 115.700 0.248 0.000 2.563 488 S HA -0.000 4.470 4.470 -0.000 0.000 0.284 488 S C 0.768 175.520 174.600 0.253 0.000 1.331 488 S CA -0.321 58.057 58.200 0.295 0.000 1.047 488 S CB 0.325 63.606 63.200 0.136 0.000 0.859 488 S HN 0.691 nan 8.310 nan 0.000 0.514 489 D N 2.415 122.947 120.400 0.219 0.000 2.339 489 D HA 0.129 4.769 4.640 -0.000 0.000 0.217 489 D C 1.000 177.363 176.300 0.105 0.000 1.050 489 D CA 0.338 54.422 54.000 0.141 0.000 0.856 489 D CB 0.202 41.065 40.800 0.106 0.000 0.922 489 D HN 0.404 nan 8.370 nan 0.000 0.518 490 K N -0.193 120.274 120.400 0.110 0.000 2.485 490 K HA 0.133 4.453 4.320 -0.000 0.000 0.200 490 K C 0.033 176.678 176.600 0.076 0.000 1.352 490 K CA -0.123 56.214 56.287 0.082 0.000 0.953 490 K CB 0.961 33.507 32.500 0.076 0.000 1.387 490 K HN -0.021 nan 8.250 nan 0.000 0.512 491 I N 3.512 124.130 120.570 0.080 0.000 2.474 491 I HA 0.097 4.266 4.170 -0.000 0.000 0.287 491 I C 0.611 176.768 176.117 0.066 0.000 1.048 491 I CA 0.177 61.514 61.300 0.062 0.000 1.383 491 I CB 0.939 38.966 38.000 0.044 0.000 1.412 491 I HN 0.198 nan 8.210 nan 0.000 0.531 492 T N 1.434 116.023 114.554 0.059 0.000 2.916 492 T HA 0.611 4.961 4.350 -0.000 0.000 0.292 492 T C -0.411 174.328 174.700 0.066 0.000 1.064 492 T CA -0.941 61.200 62.100 0.070 0.000 1.011 492 T CB 2.373 71.279 68.868 0.063 0.000 1.152 492 T HN 0.530 nan 8.240 nan 0.000 0.510 493 D N 0.490 120.946 120.400 0.093 0.000 2.511 493 D HA 0.491 5.131 4.640 -0.000 0.000 0.276 493 D C 1.609 177.953 176.300 0.073 0.000 1.220 493 D CA -0.472 53.588 54.000 0.101 0.000 1.077 493 D CB 0.016 40.915 40.800 0.165 0.000 1.126 493 D HN 0.655 nan 8.370 nan 0.000 0.583 494 A N -1.365 121.485 122.820 0.051 0.000 2.125 494 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 494 A C 1.049 178.472 177.584 -0.267 0.000 1.156 494 A CA 0.915 52.883 52.037 -0.113 0.000 0.671 494 A CB -0.951 17.945 19.000 -0.173 0.000 0.794 494 A HN 0.553 nan 8.150 nan 0.000 0.459 495 Y N -1.390 118.937 120.300 0.045 0.000 2.681 495 Y HA 0.258 4.808 4.550 -0.000 0.000 0.267 495 Y C 0.670 176.600 175.900 0.051 0.000 1.166 495 Y CA -0.281 57.850 58.100 0.052 0.000 1.209 495 Y CB -0.284 38.195 38.460 0.033 0.000 1.161 495 Y HN 0.426 nan 8.280 nan 0.000 0.534 496 N N 0.144 118.917 118.700 0.122 0.000 2.747 496 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 496 N C -0.778 174.784 175.510 0.086 0.000 1.107 496 N CA 0.613 53.712 53.050 0.081 0.000 0.707 496 N CB -0.464 38.055 38.487 0.053 0.000 1.054 496 N HN 0.162 nan 8.380 nan 0.000 0.555 497 M N -0.378 119.290 119.600 0.114 0.000 2.644 497 M HA 0.453 4.933 4.480 -0.000 0.000 0.316 497 M C -2.197 174.167 176.300 0.107 0.000 1.200 497 M CA -1.994 53.360 55.300 0.090 0.000 0.944 497 M CB 1.024 33.679 32.600 0.093 0.000 1.691 497 M HN -0.268 nan 8.290 nan 0.000 0.471 498 P HA -0.018 nan 4.420 nan 0.000 0.262 498 P C -0.661 176.799 177.300 0.265 0.000 1.182 498 P CA 0.117 63.315 63.100 0.164 0.000 0.761 498 P CB 0.242 32.043 31.700 0.169 0.000 0.795 499 Q N 6.666 126.568 119.800 0.171 0.000 2.286 499 Q HA 0.170 4.510 4.340 -0.000 0.000 0.267 499 Q C -2.241 173.723 176.000 -0.060 0.000 1.028 499 Q CA -1.946 53.903 55.803 0.076 0.000 0.901 499 Q CB -0.170 28.567 28.738 -0.002 0.000 1.183 499 Q HN 0.290 nan 8.270 nan 0.000 0.392 500 P HA 0.096 nan 4.420 nan 0.000 0.271 500 P C -1.054 175.752 177.300 -0.822 0.000 1.216 500 P CA -0.106 62.568 63.100 -0.711 0.000 0.771 500 P CB 1.040 32.431 31.700 -0.516 0.000 0.864 501 T N 3.141 116.978 114.554 -1.196 0.000 2.886 501 T HA 0.522 4.872 4.350 -0.000 0.000 0.292 501 T C -0.533 173.473 174.700 -1.157 0.000 1.012 501 T CA -0.123 61.276 62.100 -1.167 0.000 0.982 501 T CB 0.541 68.392 68.868 -1.695 0.000 1.018 501 T HN 0.053 nan 8.240 nan 0.000 0.451 502 F N 1.892 121.568 119.950 -0.457 0.000 2.425 502 F HA 0.540 5.067 4.527 -0.000 0.000 0.331 502 F C 0.585 176.334 175.800 -0.086 0.000 1.085 502 F CA -1.027 56.830 58.000 -0.239 0.000 1.028 502 F CB 1.181 40.094 39.000 -0.145 0.000 1.177 502 F HN 0.404 nan 8.300 nan 0.000 0.487 503 D N 3.153 123.715 120.400 0.270 0.000 2.389 503 D HA 0.236 4.876 4.640 -0.000 0.000 0.256 503 D C -1.811 174.612 176.300 0.204 0.000 1.239 503 D CA -0.119 54.022 54.000 0.236 0.000 0.925 503 D CB 0.372 41.340 40.800 0.281 0.000 1.145 503 D HN 0.293 nan 8.370 nan 0.000 0.542 504 F N 3.358 123.301 119.950 -0.011 0.000 2.561 504 F HA 0.593 5.120 4.527 -0.000 0.000 0.313 504 F C -1.140 174.552 175.800 -0.179 0.000 1.126 504 F CA -0.593 57.334 58.000 -0.121 0.000 0.918 504 F CB 1.406 40.270 39.000 -0.227 0.000 1.199 504 F HN 0.048 nan 8.300 nan 0.000 0.444 505 R N 4.194 124.123 120.500 -0.951 0.000 2.740 505 R HA 0.376 4.716 4.340 -0.000 0.000 0.273 505 R C -1.668 173.958 176.300 -1.124 0.000 0.998 505 R CA -0.936 54.724 56.100 -0.733 0.000 0.900 505 R CB 1.842 31.944 30.300 -0.330 0.000 1.223 505 R HN 0.585 nan 8.270 nan 0.000 0.466 506 F N 2.833 122.533 119.950 -0.416 0.000 2.538 506 F HA 0.213 4.740 4.527 -0.000 0.000 0.371 506 F C -1.286 174.384 175.800 -0.217 0.000 1.087 506 F CA -1.245 56.604 58.000 -0.253 0.000 1.250 506 F CB -0.057 38.928 39.000 -0.025 0.000 1.110 506 F HN 0.142 nan 8.300 nan 0.000 0.570 507 P HA 0.198 nan 4.420 nan 0.000 0.271 507 P C -0.689 176.622 177.300 0.017 0.000 1.218 507 P CA -0.332 62.747 63.100 -0.034 0.000 0.780 507 P CB 0.609 32.303 31.700 -0.010 0.000 0.901 508 A N 1.939 124.756 122.820 -0.004 0.000 2.313 508 A HA 0.636 4.956 4.320 -0.000 0.000 0.261 508 A C 1.007 178.603 177.584 0.019 0.000 1.090 508 A CA 0.660 52.700 52.037 0.005 0.000 0.807 508 A CB -0.761 18.235 19.000 -0.007 0.000 1.055 508 A HN 0.822 nan 8.150 nan 0.000 0.492 509 G N 0.018 108.831 108.800 0.022 0.000 2.503 509 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.235 509 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.235 509 G C 1.026 175.953 174.900 0.046 0.000 1.179 509 G CA 0.664 45.783 45.100 0.031 0.000 0.944 509 G HN 0.964 nan 8.290 nan 0.000 0.580 510 R N -0.131 120.403 120.500 0.057 0.000 2.091 510 R HA -0.078 4.262 4.340 -0.000 0.000 0.238 510 R C 2.834 179.189 176.300 0.091 0.000 1.136 510 R CA 2.708 58.852 56.100 0.074 0.000 0.959 510 R CB -0.892 29.455 30.300 0.079 0.000 0.856 510 R HN 0.619 nan 8.270 nan 0.000 0.437 511 T N -0.058 114.553 114.554 0.095 0.000 2.720 511 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 511 T C 1.908 176.655 174.700 0.078 0.000 1.037 511 T CA 1.830 63.999 62.100 0.115 0.000 1.144 511 T CB -0.150 68.808 68.868 0.149 0.000 0.864 511 T HN 0.256 nan 8.240 nan 0.000 0.444 512 S N 0.278 116.008 115.700 0.050 0.000 2.377 512 S HA 0.033 4.503 4.470 -0.000 0.000 0.223 512 S C 2.018 176.622 174.600 0.007 0.000 1.030 512 S CA 0.716 58.916 58.200 0.001 0.000 0.970 512 S CB -0.109 63.088 63.200 -0.006 0.000 0.830 512 S HN 0.478 nan 8.310 nan 0.000 0.473 513 K N 1.375 121.798 120.400 0.038 0.000 2.057 513 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 513 K C 1.881 178.533 176.600 0.086 0.000 1.049 513 K CA 1.370 57.687 56.287 0.051 0.000 0.931 513 K CB -0.102 32.433 32.500 0.059 0.000 0.714 513 K HN 0.340 nan 8.250 nan 0.000 0.440 514 E N 0.071 120.347 120.200 0.125 0.000 2.077 514 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 514 E C 2.003 178.685 176.600 0.137 0.000 0.989 514 E CA 1.015 57.549 56.400 0.222 0.000 0.800 514 E CB -0.147 29.721 29.700 0.280 0.000 0.746 514 E HN 0.438 nan 8.360 nan 0.000 0.452 515 A N 1.442 124.309 122.820 0.078 0.000 1.892 515 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 515 A C 2.100 179.732 177.584 0.081 0.000 1.188 515 A CA 2.026 54.097 52.037 0.057 0.000 0.631 515 A CB -0.489 18.509 19.000 -0.003 0.000 0.822 515 A HN 0.178 nan 8.150 nan 0.000 0.447 516 E N 0.310 120.542 120.200 0.054 0.000 2.072 516 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 516 E C 1.388 177.960 176.600 -0.047 0.000 0.985 516 E CA 1.519 57.950 56.400 0.053 0.000 0.801 516 E CB -0.310 29.399 29.700 0.016 0.000 0.750 516 E HN 0.525 nan 8.360 nan 0.000 0.452 517 D N -0.081 120.292 120.400 -0.045 0.000 2.182 517 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 517 D C 1.899 177.958 176.300 -0.401 0.000 0.986 517 D CA 1.180 55.144 54.000 -0.059 0.000 0.847 517 D CB -0.316 40.581 40.800 0.162 0.000 0.942 517 D HN 0.332 nan 8.370 nan 0.000 0.467 518 M N -0.330 118.817 119.600 -0.755 0.000 2.175 518 M HA -0.183 4.297 4.480 -0.000 0.000 0.264 518 M C 2.008 177.900 176.300 -0.680 0.000 1.063 518 M CA 1.153 55.670 55.300 -1.304 0.000 1.119 518 M CB 0.040 32.065 32.600 -0.958 0.000 1.377 518 M HN -0.040 nan 8.290 nan 0.000 0.415 519 M N 0.285 119.612 119.600 -0.456 0.000 2.086 519 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 519 M C 1.784 177.879 176.300 -0.343 0.000 1.067 519 M CA 2.323 57.359 55.300 -0.440 0.000 1.116 519 M CB -0.940 31.469 32.600 -0.318 0.000 1.348 519 M HN 0.236 nan 8.290 nan 0.000 0.407 520 T N -0.002 114.417 114.554 -0.225 0.000 2.788 520 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 520 T C 1.473 176.107 174.700 -0.111 0.000 1.044 520 T CA 1.756 63.777 62.100 -0.131 0.000 1.139 520 T CB -0.582 68.249 68.868 -0.061 0.000 0.867 520 T HN 0.526 nan 8.240 nan 0.000 0.454 521 D N 0.629 120.959 120.400 -0.115 0.000 2.117 521 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 521 D C 2.071 178.377 176.300 0.011 0.000 0.987 521 D CA 0.874 54.920 54.000 0.077 0.000 0.829 521 D CB -0.228 40.732 40.800 0.266 0.000 0.961 521 D HN 0.280 nan 8.370 nan 0.000 0.460 522 M N -0.498 118.877 119.600 -0.376 0.000 2.117 522 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 522 M C 1.937 177.966 176.300 -0.451 0.000 1.065 522 M CA 1.366 56.188 55.300 -0.796 0.000 1.114 522 M CB -0.136 31.727 32.600 -1.228 0.000 1.361 522 M HN 0.204 nan 8.290 nan 0.000 0.408 523 C N -0.487 118.638 119.300 -0.291 0.000 2.429 523 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 523 C C 2.656 177.568 174.990 -0.131 0.000 1.262 523 C CA 0.820 59.765 59.018 -0.123 0.000 1.733 523 C CB -0.956 26.756 27.740 -0.047 0.000 2.010 523 C HN 0.494 nan 8.230 nan 0.000 0.483 524 V N 0.724 120.587 119.914 -0.084 0.000 2.307 524 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 524 V C 2.414 178.497 176.094 -0.020 0.000 1.045 524 V CA 2.319 64.597 62.300 -0.037 0.000 1.024 524 V CB -0.678 31.169 31.823 0.041 0.000 0.651 524 V HN 0.595 nan 8.190 nan 0.000 0.449 525 M N 0.749 120.383 119.600 0.056 0.000 2.175 525 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 525 M C 2.381 178.592 176.300 -0.147 0.000 1.063 525 M CA 2.206 57.622 55.300 0.194 0.000 1.119 525 M CB -0.164 32.720 32.600 0.474 0.000 1.377 525 M HN 0.552 nan 8.290 nan 0.000 0.415 526 S N 0.324 115.640 115.700 -0.640 0.000 2.423 526 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 526 S C 1.938 176.174 174.600 -0.607 0.000 1.014 526 S CA 0.790 58.200 58.200 -1.318 0.000 0.965 526 S CB -0.695 61.491 63.200 -1.691 0.000 0.785 526 S HN 0.556 nan 8.310 nan 0.000 0.495 527 A N 1.930 124.499 122.820 -0.417 0.000 2.121 527 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 527 A C 2.128 179.600 177.584 -0.186 0.000 1.154 527 A CA 1.033 52.871 52.037 -0.332 0.000 0.679 527 A CB -0.493 18.331 19.000 -0.294 0.000 0.795 527 A HN 0.612 nan 8.150 nan 0.000 0.458 528 K N -0.537 119.798 120.400 -0.109 0.000 2.283 528 K HA -0.001 4.319 4.320 -0.000 0.000 0.202 528 K C 1.141 177.748 176.600 0.011 0.000 1.048 528 K CA 0.885 57.154 56.287 -0.030 0.000 0.948 528 K CB -0.035 32.483 32.500 0.030 0.000 0.742 528 K HN 0.411 nan 8.250 nan 0.000 0.458 529 I N -0.796 119.800 120.570 0.044 0.000 3.339 529 I HA 0.147 4.317 4.170 -0.000 0.000 0.285 529 I C 1.077 177.225 176.117 0.051 0.000 1.201 529 I CA 0.532 61.908 61.300 0.125 0.000 1.434 529 I CB 0.232 38.454 38.000 0.370 0.000 1.152 529 I HN 0.112 nan 8.210 nan 0.000 0.443 530 G N -0.512 108.262 108.800 -0.045 0.000 2.328 530 G HA2 0.437 4.397 3.960 -0.000 0.000 0.295 530 G HA3 0.437 4.397 3.960 -0.000 0.000 0.295 530 G C -0.724 174.045 174.900 -0.219 0.000 1.413 530 G CA -0.178 44.873 45.100 -0.082 0.000 0.817 530 G HN 0.258 nan 8.290 nan 0.000 0.546 531 G N -1.143 107.527 108.800 -0.217 0.000 2.504 531 G HA2 0.590 4.550 3.960 -0.000 0.000 0.288 531 G HA3 0.590 4.550 3.960 -0.000 0.000 0.288 531 G C -0.300 174.437 174.900 -0.272 0.000 1.182 531 G CA -0.585 44.296 45.100 -0.365 0.000 0.894 531 G HN 0.460 nan 8.290 nan 0.000 0.521 532 F N -0.697 119.165 119.950 -0.146 0.000 2.553 532 F HA 0.214 4.741 4.527 -0.000 0.000 0.356 532 F C 0.687 176.429 175.800 -0.097 0.000 1.142 532 F CA -0.745 57.162 58.000 -0.155 0.000 1.322 532 F CB 0.715 39.609 39.000 -0.176 0.000 1.126 532 F HN 0.166 nan 8.300 nan 0.000 0.599 533 L N 5.873 127.166 121.223 0.118 0.000 2.315 533 L HA 0.428 4.768 4.340 -0.000 0.000 0.283 533 L C -2.396 174.499 176.870 0.042 0.000 1.089 533 L CA -2.014 52.862 54.840 0.061 0.000 0.833 533 L CB 0.105 42.191 42.059 0.046 0.000 1.170 533 L HN 0.276 nan 8.230 nan 0.000 0.442 534 P HA 0.166 nan 4.420 nan 0.000 0.263 534 P C 0.682 177.990 177.300 0.014 0.000 1.175 534 P CA 1.083 64.196 63.100 0.021 0.000 0.761 534 P CB 0.569 32.282 31.700 0.021 0.000 0.794 535 G N 2.029 110.830 108.800 0.002 0.000 2.199 535 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 535 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 535 G C 0.474 175.384 174.900 0.016 0.000 0.982 535 G CA 0.255 45.364 45.100 0.013 0.000 0.632 535 G HN 0.534 nan 8.290 nan 0.000 0.529 536 S N 0.737 116.422 115.700 -0.026 0.000 2.665 536 S HA 0.496 4.966 4.470 -0.000 0.000 0.235 536 S C 0.476 174.926 174.600 -0.249 0.000 1.084 536 S CA -0.573 57.571 58.200 -0.093 0.000 1.151 536 S CB 0.277 63.419 63.200 -0.097 0.000 1.151 536 S HN 0.472 nan 8.310 nan 0.000 0.461 537 L N 2.511 123.591 121.223 -0.238 0.000 2.464 537 L HA 0.307 4.647 4.340 -0.000 0.000 0.264 537 L C -2.075 174.473 176.870 -0.537 0.000 1.199 537 L CA -2.042 52.540 54.840 -0.429 0.000 0.818 537 L CB -0.127 41.751 42.059 -0.302 0.000 1.102 537 L HN 0.065 nan 8.230 nan 0.000 0.473 538 P HA 0.013 nan 4.420 nan 0.000 0.262 538 P C -1.362 175.677 177.300 -0.436 0.000 1.199 538 P CA 0.128 62.814 63.100 -0.689 0.000 0.763 538 P CB 0.437 31.628 31.700 -0.848 0.000 0.790 539 Q N 1.882 121.464 119.800 -0.363 0.000 2.482 539 Q HA 0.493 4.833 4.340 -0.000 0.000 0.286 539 Q C -1.318 174.494 176.000 -0.314 0.000 1.007 539 Q CA -0.919 54.746 55.803 -0.228 0.000 0.801 539 Q CB 0.796 29.466 28.738 -0.113 0.000 1.455 539 Q HN 0.091 nan 8.270 nan 0.000 0.398 540 F N 1.369 121.219 119.950 -0.166 0.000 2.429 540 F HA 0.299 4.826 4.527 -0.000 0.000 0.348 540 F C 0.510 176.212 175.800 -0.163 0.000 1.109 540 F CA -0.227 57.669 58.000 -0.172 0.000 1.232 540 F CB 0.906 39.805 39.000 -0.168 0.000 1.157 540 F HN 0.374 nan 8.300 nan 0.000 0.564 541 M N 1.539 121.102 119.600 -0.062 0.000 2.342 541 M HA 0.218 4.698 4.480 -0.000 0.000 0.332 541 M C -0.081 176.163 176.300 -0.095 0.000 1.166 541 M CA -1.065 54.123 55.300 -0.187 0.000 1.086 541 M CB 0.862 33.202 32.600 -0.433 0.000 1.541 541 M HN 0.459 nan 8.290 nan 0.000 0.462 542 E N 2.415 122.539 120.200 -0.127 0.000 2.608 542 E HA 0.025 4.375 4.350 -0.000 0.000 0.259 542 E C -2.224 174.346 176.600 -0.049 0.000 0.951 542 E CA -0.497 55.861 56.400 -0.069 0.000 0.945 542 E CB -0.373 29.276 29.700 -0.085 0.000 0.916 542 E HN 0.223 nan 8.360 nan 0.000 0.477 543 P HA -0.009 nan 4.420 nan 0.000 0.261 543 P C 0.698 177.899 177.300 -0.165 0.000 1.183 543 P CA 1.194 64.293 63.100 -0.002 0.000 0.761 543 P CB 0.635 32.323 31.700 -0.020 0.000 0.785 544 G N 2.506 111.199 108.800 -0.178 0.000 2.217 544 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.246 544 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.246 544 G C 0.723 175.560 174.900 -0.106 0.000 0.990 544 G CA 0.082 45.055 45.100 -0.213 0.000 0.627 544 G HN 0.507 nan 8.290 nan 0.000 0.522 545 L N 1.031 122.196 121.223 -0.097 0.000 2.275 545 L HA 0.247 4.587 4.340 -0.000 0.000 0.215 545 L C 2.782 179.643 176.870 -0.015 0.000 1.119 545 L CA 2.213 57.014 54.840 -0.065 0.000 0.790 545 L CB -0.253 41.701 42.059 -0.175 0.000 0.919 545 L HN 0.429 nan 8.230 nan 0.000 0.443 546 V N -0.336 119.540 119.914 -0.063 0.000 2.759 546 V HA -0.133 3.987 4.120 -0.000 0.000 0.256 546 V C 1.580 177.613 176.094 -0.101 0.000 1.080 546 V CA 0.919 63.168 62.300 -0.085 0.000 1.101 546 V CB -0.270 31.506 31.823 -0.078 0.000 0.698 546 V HN 0.480 nan 8.190 nan 0.000 0.477 547 L N 0.030 121.264 121.223 0.017 0.000 3.717 547 L HA -0.261 4.079 4.340 -0.000 0.000 0.414 547 L C 0.407 177.473 176.870 0.327 0.000 1.228 547 L CA 0.952 55.873 54.840 0.135 0.000 0.918 547 L CB -2.521 39.647 42.059 0.183 0.000 1.865 547 L HN 0.574 nan 8.230 nan 0.000 0.922 548 H N -0.839 118.342 119.070 0.186 0.000 2.475 548 H HA 0.269 4.825 4.556 -0.000 0.000 0.276 548 H C 0.597 176.058 175.328 0.222 0.000 1.126 548 H CA -1.103 55.092 56.048 0.244 0.000 1.023 548 H CB 0.657 30.598 29.762 0.299 0.000 1.669 548 H HN 0.183 nan 8.280 nan 0.000 0.573 549 L N 2.112 123.476 121.223 0.236 0.000 2.601 549 L HA 0.142 4.482 4.340 -0.000 0.000 0.277 549 L C 0.620 177.626 176.870 0.226 0.000 1.219 549 L CA 0.768 55.697 54.840 0.148 0.000 0.915 549 L CB 0.234 42.344 42.059 0.085 0.000 1.160 549 L HN 0.279 nan 8.230 nan 0.000 0.494 550 G N 2.060 111.007 108.800 0.244 0.000 2.730 550 G HA2 0.541 4.501 3.960 -0.000 0.000 0.289 550 G HA3 0.541 4.501 3.960 -0.000 0.000 0.289 550 G C 0.298 175.307 174.900 0.182 0.000 1.341 550 G CA -0.332 44.930 45.100 0.271 0.000 0.932 550 G HN 1.331 nan 8.290 nan 0.000 0.481 551 G N -1.225 107.650 108.800 0.125 0.000 2.143 551 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.248 551 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.248 551 G C 1.177 176.142 174.900 0.108 0.000 0.991 551 G CA 1.581 46.755 45.100 0.124 0.000 0.689 551 G HN 1.809 nan 8.290 nan 0.000 0.522 552 T N -2.307 112.259 114.554 0.020 0.000 3.055 552 T HA 0.220 4.570 4.350 -0.000 0.000 0.265 552 T C 0.996 175.790 174.700 0.157 0.000 1.111 552 T CA 1.681 63.842 62.100 0.103 0.000 1.118 552 T CB -0.186 68.750 68.868 0.113 0.000 0.909 552 T HN 1.504 nan 8.240 nan 0.000 0.501 553 H N -0.247 118.899 119.070 0.127 0.000 2.946 553 H HA 0.433 4.989 4.556 -0.000 0.000 0.217 553 H C -0.160 175.211 175.328 0.072 0.000 1.393 553 H CA -1.369 54.729 56.048 0.084 0.000 1.306 553 H CB -0.434 29.347 29.762 0.031 0.000 2.062 553 H HN 0.331 nan 8.280 nan 0.000 0.520 554 R N 0.828 121.416 120.500 0.146 0.000 2.641 554 R HA 0.309 4.649 4.340 -0.000 0.000 0.269 554 R C -0.325 176.033 176.300 0.096 0.000 1.074 554 R CA -0.684 55.471 56.100 0.091 0.000 1.133 554 R CB 1.016 31.363 30.300 0.079 0.000 1.029 554 R HN 0.488 nan 8.270 nan 0.000 0.488 555 M N 1.620 121.251 119.600 0.052 0.000 2.314 555 M HA 0.481 4.961 4.480 -0.000 0.000 0.342 555 M C -0.574 175.721 176.300 -0.009 0.000 1.171 555 M CA 0.125 55.431 55.300 0.010 0.000 1.098 555 M CB 1.706 34.283 32.600 -0.039 0.000 1.559 555 M HN 0.954 nan 8.290 nan 0.000 0.459 556 G N 1.962 110.765 108.800 0.004 0.000 2.548 556 G HA2 0.406 4.366 3.960 -0.000 0.000 0.301 556 G HA3 0.406 4.366 3.960 -0.000 0.000 0.301 556 G C -0.937 173.955 174.900 -0.013 0.000 1.349 556 G CA -0.654 44.400 45.100 -0.077 0.000 0.792 556 G HN 0.668 nan 8.290 nan 0.000 0.481 557 F N -0.036 120.010 119.950 0.161 0.000 2.293 557 F HA 0.283 4.810 4.527 -0.000 0.000 0.297 557 F C 1.026 176.956 175.800 0.217 0.000 1.089 557 F CA 0.955 59.054 58.000 0.166 0.000 1.377 557 F CB 0.429 39.485 39.000 0.093 0.000 1.051 557 F HN 0.359 nan 8.300 nan 0.000 0.511 558 D N -1.098 119.475 120.400 0.288 0.000 2.863 558 D HA 0.126 4.766 4.640 -0.000 0.000 0.245 558 D C 0.694 176.846 176.300 -0.247 0.000 1.211 558 D CA -0.272 53.740 54.000 0.020 0.000 0.888 558 D CB 1.351 42.168 40.800 0.029 0.000 1.483 558 D HN 0.050 nan 8.370 nan 0.000 0.533 559 E N 3.029 122.725 120.200 -0.840 0.000 2.070 559 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 559 E C 1.312 177.735 176.600 -0.295 0.000 1.004 559 E CA 1.232 57.102 56.400 -0.883 0.000 0.805 559 E CB 0.281 29.290 29.700 -1.152 0.000 0.744 559 E HN 0.426 nan 8.360 nan 0.000 0.451 560 K N 0.253 120.523 120.400 -0.216 0.000 2.044 560 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 560 K C 2.161 178.730 176.600 -0.050 0.000 1.045 560 K CA 1.147 57.376 56.287 -0.097 0.000 0.951 560 K CB -0.038 32.416 32.500 -0.075 0.000 0.738 560 K HN 0.024 nan 8.250 nan 0.000 0.443 561 E N 0.331 120.506 120.200 -0.041 0.000 2.110 561 E HA -0.162 4.187 4.350 -0.000 0.000 0.193 561 E C 0.623 177.224 176.600 0.003 0.000 0.988 561 E CA 1.436 57.834 56.400 -0.003 0.000 0.804 561 E CB 0.237 29.947 29.700 0.017 0.000 0.745 561 E HN 0.319 nan 8.360 nan 0.000 0.458 562 D N -0.134 120.264 120.400 -0.003 0.000 2.363 562 D HA 0.032 4.672 4.640 -0.000 0.000 0.214 562 D C -0.648 175.593 176.300 -0.098 0.000 1.093 562 D CA 0.039 54.032 54.000 -0.012 0.000 0.837 562 D CB -0.018 40.813 40.800 0.052 0.000 0.948 562 D HN 0.174 nan 8.370 nan 0.000 0.507 563 N N 0.683 119.327 118.700 -0.095 0.000 2.667 563 N HA -0.190 4.550 4.740 -0.000 0.000 0.263 563 N C -0.195 175.248 175.510 -0.112 0.000 1.038 563 N CA 0.505 53.479 53.050 -0.127 0.000 0.749 563 N CB -1.466 36.839 38.487 -0.305 0.000 0.892 563 N HN 0.407 nan 8.380 nan 0.000 0.546 564 C N -3.193 116.117 119.300 0.017 0.000 3.259 564 C HA 0.784 5.244 4.460 -0.000 0.000 0.328 564 C C 1.313 176.483 174.990 0.300 0.000 1.425 564 C CA -0.633 58.466 59.018 0.135 0.000 1.465 564 C CB 1.593 29.433 27.740 0.167 0.000 1.890 564 C HN 0.511 nan 8.230 nan 0.000 0.450 565 C N 0.257 119.762 119.300 0.342 0.000 3.294 565 C HA 0.507 4.967 4.460 -0.000 0.000 0.441 565 C C 0.613 175.718 174.990 0.192 0.000 1.364 565 C CA 0.621 59.837 59.018 0.330 0.000 2.059 565 C CB -0.334 27.520 27.740 0.190 0.000 2.925 565 C HN 0.972 nan 8.230 nan 0.000 0.633 566 V N 1.157 121.071 119.914 -0.001 0.000 2.962 566 V HA 0.714 4.834 4.120 -0.000 0.000 0.313 566 V C -0.839 174.893 176.094 -0.604 0.000 1.099 566 V CA -0.641 61.404 62.300 -0.425 0.000 0.971 566 V CB 1.586 33.285 31.823 -0.208 0.000 1.028 566 V HN 0.381 nan 8.190 nan 0.000 0.430 567 N N 0.834 119.021 118.700 -0.855 0.000 2.431 567 N HA 0.269 5.009 4.740 -0.000 0.000 0.289 567 N C 1.049 176.406 175.510 -0.256 0.000 1.277 567 N CA 0.227 52.986 53.050 -0.486 0.000 0.972 567 N CB 0.032 38.244 38.487 -0.457 0.000 1.143 567 N HN 0.959 nan 8.380 nan 0.000 0.578 568 T N -4.637 109.810 114.554 -0.178 0.000 3.163 568 T HA 0.007 4.357 4.350 -0.000 0.000 0.260 568 T C 0.058 174.672 174.700 -0.142 0.000 1.156 568 T CA 0.564 62.560 62.100 -0.173 0.000 1.072 568 T CB -0.444 68.325 68.868 -0.165 0.000 0.937 568 T HN 0.437 nan 8.240 nan 0.000 0.528 569 D N 1.221 121.531 120.400 -0.150 0.000 2.328 569 D HA 0.164 4.804 4.640 -0.000 0.000 0.221 569 D C 0.586 176.890 176.300 0.007 0.000 1.072 569 D CA 0.134 54.066 54.000 -0.114 0.000 0.850 569 D CB 0.046 40.662 40.800 -0.307 0.000 0.922 569 D HN 0.366 nan 8.370 nan 0.000 0.516 570 S N 0.276 115.949 115.700 -0.044 0.000 3.521 570 S HA -0.272 4.198 4.470 -0.000 0.000 0.328 570 S C 0.576 175.184 174.600 0.012 0.000 1.165 570 S CA 0.488 58.702 58.200 0.023 0.000 0.941 570 S CB -1.408 61.875 63.200 0.138 0.000 0.951 570 S HN 0.468 nan 8.310 nan 0.000 0.539 571 R N 1.047 121.427 120.500 -0.200 0.000 2.297 571 R HA 0.456 4.796 4.340 -0.000 0.000 0.308 571 R C -0.079 175.918 176.300 -0.506 0.000 1.029 571 R CA -0.429 55.356 56.100 -0.524 0.000 0.929 571 R CB 0.689 30.659 30.300 -0.549 0.000 1.046 571 R HN 0.142 nan 8.270 nan 0.000 0.461 572 V N 6.253 125.907 119.914 -0.432 0.000 2.529 572 V HA 0.017 4.137 4.120 -0.000 0.000 0.292 572 V C 0.155 176.209 176.094 -0.067 0.000 1.028 572 V CA 0.188 62.327 62.300 -0.268 0.000 1.074 572 V CB -0.029 31.621 31.823 -0.289 0.000 0.958 572 V HN 0.566 nan 8.190 nan 0.000 0.481 573 F N 3.873 123.867 119.950 0.072 0.000 2.608 573 F HA 0.398 4.925 4.527 -0.000 0.000 0.380 573 F C 1.578 177.499 175.800 0.201 0.000 1.083 573 F CA 1.529 59.592 58.000 0.104 0.000 1.266 573 F CB 0.057 39.112 39.000 0.092 0.000 1.076 573 F HN 0.784 nan 8.300 nan 0.000 0.574 574 G N 2.245 111.221 108.800 0.292 0.000 2.253 574 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 574 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 574 G C -0.057 174.736 174.900 -0.178 0.000 0.998 574 G CA -0.447 44.696 45.100 0.072 0.000 0.621 574 G HN 0.439 nan 8.290 nan 0.000 0.524 575 F N 1.475 121.455 119.950 0.051 0.000 2.404 575 F HA 0.567 5.094 4.527 -0.000 0.000 0.354 575 F C 1.462 177.259 175.800 -0.004 0.000 1.122 575 F CA -0.624 57.391 58.000 0.025 0.000 1.080 575 F CB 1.682 40.689 39.000 0.012 0.000 1.131 575 F HN -0.079 nan 8.300 nan 0.000 0.471 576 K N 1.341 121.831 120.400 0.150 0.000 2.211 576 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 576 K C 0.829 177.631 176.600 0.337 0.000 1.050 576 K CA 1.329 57.745 56.287 0.215 0.000 0.945 576 K CB -0.031 32.601 32.500 0.220 0.000 0.732 576 K HN 0.553 nan 8.250 nan 0.000 0.451 577 N N 0.079 118.952 118.700 0.289 0.000 2.377 577 N HA 0.051 4.791 4.740 -0.000 0.000 0.259 577 N C -0.984 174.636 175.510 0.184 0.000 1.332 577 N CA -0.311 52.953 53.050 0.357 0.000 0.877 577 N CB 0.269 39.015 38.487 0.432 0.000 1.299 577 N HN -0.040 nan 8.380 nan 0.000 0.501 578 L N 0.708 121.819 121.223 -0.186 0.000 2.376 578 L HA 0.688 5.028 4.340 -0.000 0.000 0.275 578 L C -1.822 174.657 176.870 -0.652 0.000 0.987 578 L CA -0.627 54.068 54.840 -0.242 0.000 0.828 578 L CB 0.983 42.883 42.059 -0.264 0.000 1.249 578 L HN -0.020 nan 8.230 nan 0.000 0.409 579 F N 4.849 124.726 119.950 -0.121 0.000 2.563 579 F HA 0.676 5.203 4.527 -0.000 0.000 0.316 579 F C -0.563 175.089 175.800 -0.247 0.000 1.076 579 F CA -0.680 57.225 58.000 -0.157 0.000 0.921 579 F CB 1.886 40.822 39.000 -0.107 0.000 1.209 579 F HN 0.176 nan 8.300 nan 0.000 0.462 580 L N 1.823 123.010 121.223 -0.060 0.000 2.346 580 L HA 0.886 5.226 4.340 -0.000 0.000 0.276 580 L C 0.016 176.897 176.870 0.018 0.000 1.006 580 L CA -0.798 53.938 54.840 -0.175 0.000 0.817 580 L CB 1.962 43.765 42.059 -0.426 0.000 1.272 580 L HN 0.782 nan 8.230 nan 0.000 0.421 581 G N 0.289 109.115 108.800 0.044 0.000 2.519 581 G HA2 0.805 4.765 3.960 -0.000 0.000 0.307 581 G HA3 0.805 4.765 3.960 -0.000 0.000 0.307 581 G C -0.540 174.491 174.900 0.217 0.000 1.266 581 G CA -0.274 44.959 45.100 0.221 0.000 0.970 581 G HN 0.967 nan 8.290 nan 0.000 0.481 582 G N -1.342 107.572 108.800 0.189 0.000 2.347 582 G HA2 0.062 4.022 3.960 -0.000 0.000 0.341 582 G HA3 0.062 4.022 3.960 -0.000 0.000 0.341 582 G C 0.674 175.624 174.900 0.084 0.000 1.287 582 G CA 0.101 45.286 45.100 0.143 0.000 0.984 582 G HN 1.133 nan 8.290 nan 0.000 0.526 583 C N 0.747 120.077 119.300 0.049 0.000 2.456 583 C HA 0.256 4.716 4.460 -0.000 0.000 0.279 583 C C 2.967 177.932 174.990 -0.042 0.000 1.427 583 C CA 1.669 60.694 59.018 0.012 0.000 1.778 583 C CB -1.252 26.532 27.740 0.074 0.000 1.842 583 C HN 1.218 nan 8.230 nan 0.000 0.531 584 G N 1.193 109.875 108.800 -0.195 0.000 2.479 584 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 584 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 584 G C 1.446 175.982 174.900 -0.608 0.000 1.115 584 G CA 0.720 45.421 45.100 -0.664 0.000 0.757 584 G HN 0.540 nan 8.290 nan 0.000 0.560 585 N N 0.315 118.873 118.700 -0.235 0.000 2.331 585 N HA 0.030 4.770 4.740 -0.000 0.000 0.180 585 N C 0.926 176.443 175.510 0.012 0.000 1.019 585 N CA 0.158 53.212 53.050 0.006 0.000 0.881 585 N CB 0.066 38.608 38.487 0.091 0.000 0.972 585 N HN 0.302 nan 8.380 nan 0.000 0.435 586 I N 2.744 123.320 120.570 0.011 0.000 2.533 586 I HA 0.044 4.214 4.170 -0.000 0.000 0.284 586 I C -1.399 174.799 176.117 0.135 0.000 1.109 586 I CA -0.995 60.339 61.300 0.055 0.000 1.412 586 I CB 1.295 39.272 38.000 -0.037 0.000 1.396 586 I HN -0.055 nan 8.210 nan 0.000 0.543 587 P HA 0.089 nan 4.420 nan 0.000 0.275 587 P C 0.133 177.521 177.300 0.148 0.000 1.310 587 P CA 0.158 63.328 63.100 0.116 0.000 0.904 587 P CB 0.368 32.098 31.700 0.050 0.000 1.381 588 T N -2.237 112.439 114.554 0.203 0.000 2.923 588 T HA 0.701 5.051 4.350 -0.000 0.000 0.281 588 T C 0.152 174.989 174.700 0.229 0.000 0.995 588 T CA -0.883 61.325 62.100 0.180 0.000 0.985 588 T CB 1.182 70.132 68.868 0.137 0.000 1.114 588 T HN 0.037 nan 8.240 nan 0.000 0.548 589 A N 1.725 124.611 122.820 0.110 0.000 2.310 589 A HA 0.610 4.930 4.320 -0.000 0.000 0.300 589 A C -0.669 176.875 177.584 -0.067 0.000 1.269 589 A CA -0.831 51.217 52.037 0.018 0.000 0.909 589 A CB -0.949 18.079 19.000 0.047 0.000 1.144 589 A HN 0.866 nan 8.150 nan 0.000 0.540 590 Y N -0.434 119.767 120.300 -0.164 0.000 2.512 590 Y HA 0.727 5.277 4.550 -0.000 0.000 0.348 590 Y C 0.693 176.456 175.900 -0.228 0.000 0.990 590 Y CA -0.735 57.082 58.100 -0.471 0.000 1.033 590 Y CB 1.435 39.387 38.460 -0.846 0.000 1.259 590 Y HN 0.371 nan 8.280 nan 0.000 0.461 591 G N 0.369 109.070 108.800 -0.164 0.000 2.743 591 G HA2 0.430 4.390 3.960 -0.000 0.000 0.206 591 G HA3 0.430 4.390 3.960 -0.000 0.000 0.206 591 G C 0.372 175.339 174.900 0.112 0.000 1.115 591 G CA 0.209 45.396 45.100 0.144 0.000 0.782 591 G HN 0.948 nan 8.290 nan 0.000 0.524 592 A N 0.713 123.438 122.820 -0.158 0.000 2.259 592 A HA 0.542 4.862 4.320 -0.000 0.000 0.278 592 A C -0.094 177.389 177.584 -0.170 0.000 1.107 592 A CA -0.553 51.266 52.037 -0.364 0.000 0.828 592 A CB 0.123 18.916 19.000 -0.344 0.000 1.111 592 A HN 0.329 nan 8.150 nan 0.000 0.498 593 N N 1.211 119.675 118.700 -0.394 0.000 2.483 593 N HA 0.283 5.023 4.740 -0.000 0.000 0.264 593 N C -2.147 173.283 175.510 -0.134 0.000 1.197 593 N CA -0.985 51.837 53.050 -0.379 0.000 0.927 593 N CB 0.472 38.790 38.487 -0.282 0.000 1.065 593 N HN 0.374 nan 8.380 nan 0.000 0.461 594 P HA 0.040 nan 4.420 nan 0.000 0.252 594 P C 0.449 177.652 177.300 -0.162 0.000 1.218 594 P CA 0.495 63.504 63.100 -0.153 0.000 0.807 594 P CB 0.347 31.946 31.700 -0.168 0.000 1.072 595 T N 1.012 115.549 114.554 -0.028 0.000 2.788 595 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 595 T C 1.759 176.553 174.700 0.156 0.000 1.044 595 T CA 1.000 63.145 62.100 0.076 0.000 1.139 595 T CB -0.755 68.192 68.868 0.133 0.000 0.867 595 T HN 0.016 nan 8.240 nan 0.000 0.454 596 L N 0.994 122.315 121.223 0.163 0.000 2.046 596 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 596 L C 2.552 179.496 176.870 0.122 0.000 1.077 596 L CA 1.735 56.721 54.840 0.243 0.000 0.747 596 L CB -1.000 41.182 42.059 0.206 0.000 0.896 596 L HN 0.171 nan 8.230 nan 0.000 0.432 597 T N -0.310 114.184 114.554 -0.100 0.000 2.746 597 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 597 T C 1.911 176.529 174.700 -0.137 0.000 1.039 597 T CA 1.249 63.197 62.100 -0.254 0.000 1.142 597 T CB -0.505 67.831 68.868 -0.886 0.000 0.866 597 T HN 0.529 nan 8.240 nan 0.000 0.444 598 A N 1.543 124.290 122.820 -0.122 0.000 1.908 598 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 598 A C 2.318 179.880 177.584 -0.038 0.000 1.181 598 A CA 1.981 53.989 52.037 -0.049 0.000 0.627 598 A CB -0.770 18.220 19.000 -0.017 0.000 0.818 598 A HN 0.530 nan 8.150 nan 0.000 0.445 599 M N -0.335 119.251 119.600 -0.022 0.000 2.086 599 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 599 M C 2.220 178.438 176.300 -0.137 0.000 1.067 599 M CA 2.180 57.437 55.300 -0.072 0.000 1.116 599 M CB -0.197 32.366 32.600 -0.061 0.000 1.348 599 M HN 0.379 nan 8.290 nan 0.000 0.407 600 S N 1.105 116.725 115.700 -0.132 0.000 2.365 600 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 600 S C 1.758 176.186 174.600 -0.287 0.000 1.039 600 S CA 1.615 59.676 58.200 -0.231 0.000 1.033 600 S CB -0.615 62.420 63.200 -0.275 0.000 0.887 600 S HN 0.521 nan 8.310 nan 0.000 0.447 601 L N 0.831 121.923 121.223 -0.219 0.000 2.083 601 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 601 L C 2.750 179.498 176.870 -0.205 0.000 1.083 601 L CA 1.195 55.906 54.840 -0.216 0.000 0.752 601 L CB -0.666 41.330 42.059 -0.105 0.000 0.899 601 L HN 0.346 nan 8.230 nan 0.000 0.433 602 A N 0.179 122.876 122.820 -0.205 0.000 1.930 602 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 602 A C 2.172 179.462 177.584 -0.490 0.000 1.175 602 A CA 1.313 53.132 52.037 -0.362 0.000 0.627 602 A CB -0.577 18.213 19.000 -0.349 0.000 0.815 602 A HN 0.361 nan 8.150 nan 0.000 0.443 603 I N -0.550 119.814 120.570 -0.344 0.000 2.286 603 I HA -0.250 3.919 4.170 -0.000 0.000 0.248 603 I C 2.504 178.462 176.117 -0.266 0.000 1.115 603 I CA 1.728 62.851 61.300 -0.295 0.000 1.392 603 I CB -0.181 37.663 38.000 -0.260 0.000 1.065 603 I HN 0.366 nan 8.210 nan 0.000 0.418 604 K N 0.460 120.700 120.400 -0.266 0.000 2.057 604 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 604 K C 2.360 178.870 176.600 -0.151 0.000 1.050 604 K CA 1.620 57.778 56.287 -0.215 0.000 0.935 604 K CB -0.073 32.264 32.500 -0.271 0.000 0.715 604 K HN 0.124 nan 8.250 nan 0.000 0.439 605 S N -0.004 115.588 115.700 -0.180 0.000 2.368 605 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 605 S C 2.034 176.528 174.600 -0.177 0.000 1.030 605 S CA 1.410 59.544 58.200 -0.111 0.000 0.999 605 S CB -0.423 62.762 63.200 -0.024 0.000 0.844 605 S HN 0.557 nan 8.310 nan 0.000 0.459 606 C N 1.476 120.591 119.300 -0.308 0.000 2.435 606 C HA 0.060 4.520 4.460 -0.000 0.000 0.279 606 C C 2.486 177.389 174.990 -0.146 0.000 1.321 606 C CA 0.560 59.413 59.018 -0.275 0.000 1.752 606 C CB -1.395 26.146 27.740 -0.332 0.000 1.959 606 C HN 0.679 nan 8.230 nan 0.000 0.500 607 E N -0.572 119.565 120.200 -0.104 0.000 2.110 607 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 607 E C 1.796 178.405 176.600 0.014 0.000 0.988 607 E CA 1.421 57.795 56.400 -0.044 0.000 0.804 607 E CB -0.273 29.397 29.700 -0.050 0.000 0.745 607 E HN 0.834 nan 8.360 nan 0.000 0.458 608 Y N 1.223 121.485 120.300 -0.064 0.000 2.163 608 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 608 Y C 1.972 177.894 175.900 0.038 0.000 1.136 608 Y CA 1.446 59.550 58.100 0.006 0.000 1.147 608 Y CB -0.080 38.416 38.460 0.060 0.000 0.987 608 Y HN -0.066 nan 8.280 nan 0.000 0.509 609 I N 0.361 120.969 120.570 0.064 0.000 2.208 609 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 609 I C 2.261 178.407 176.117 0.048 0.000 1.097 609 I CA 1.666 62.981 61.300 0.024 0.000 1.363 609 I CB -0.424 37.383 38.000 -0.322 0.000 1.051 609 I HN 0.193 nan 8.210 nan 0.000 0.413 610 K N 0.362 120.758 120.400 -0.008 0.000 2.209 610 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 610 K C 2.060 178.710 176.600 0.083 0.000 1.048 610 K CA 1.213 57.570 56.287 0.116 0.000 0.940 610 K CB -0.117 32.432 32.500 0.082 0.000 0.729 610 K HN 0.451 nan 8.250 nan 0.000 0.451 611 Q N -0.159 119.616 119.800 -0.043 0.000 2.331 611 Q HA 0.027 4.367 4.340 -0.000 0.000 0.203 611 Q C 1.242 177.134 176.000 -0.179 0.000 0.944 611 Q CA 0.649 56.388 55.803 -0.107 0.000 0.892 611 Q CB 0.337 28.985 28.738 -0.150 0.000 0.983 611 Q HN 0.269 nan 8.270 nan 0.000 0.482 612 N N -1.074 117.469 118.700 -0.261 0.000 2.227 612 N HA 0.141 4.881 4.740 -0.000 0.000 0.196 612 N C -0.844 174.281 175.510 -0.641 0.000 1.142 612 N CA 0.304 53.061 53.050 -0.489 0.000 0.887 612 N CB 0.926 38.933 38.487 -0.800 0.000 1.022 612 N HN 0.006 nan 8.380 nan 0.000 0.500 613 F N 0.121 120.094 119.950 0.038 0.000 2.578 613 F HA 0.349 4.876 4.527 -0.000 0.000 0.311 613 F C 0.076 176.008 175.800 0.219 0.000 1.094 613 F CA -0.763 57.321 58.000 0.140 0.000 0.923 613 F CB 1.888 40.994 39.000 0.176 0.000 1.230 613 F HN -0.399 nan 8.300 nan 0.000 0.450 614 T N 3.304 118.037 114.554 0.299 0.000 2.771 614 T HA 0.423 4.773 4.350 -0.000 0.000 0.281 614 T C -2.563 172.153 174.700 0.027 0.000 0.982 614 T CA -1.437 60.724 62.100 0.102 0.000 0.978 614 T CB 1.260 70.153 68.868 0.041 0.000 0.930 614 T HN 0.129 nan 8.240 nan 0.000 0.447 615 P HA 0.106 nan 4.420 nan 0.000 0.267 615 P C -0.045 177.199 177.300 -0.094 0.000 1.200 615 P CA -0.302 62.590 63.100 -0.347 0.000 0.772 615 P CB 0.298 31.661 31.700 -0.562 0.000 0.855 616 S N 3.074 118.766 115.700 -0.013 0.000 2.584 616 S HA 0.292 4.762 4.470 -0.000 0.000 0.270 616 S C -2.196 172.410 174.600 0.010 0.000 1.346 616 S CA -1.096 57.109 58.200 0.009 0.000 1.018 616 S CB -0.909 62.302 63.200 0.018 0.000 0.899 616 S HN 0.280 nan 8.310 nan 0.000 0.542 617 P HA 0.139 nan 4.420 nan 0.000 0.264 617 P C -0.223 177.126 177.300 0.081 0.000 1.193 617 P CA -0.243 62.886 63.100 0.048 0.000 0.763 617 P CB 0.072 31.790 31.700 0.029 0.000 0.810 618 F N 0.000 119.935 119.950 -0.026 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.990 58.000 -0.016 0.000 1.383 618 F CB 0.000 38.991 39.000 -0.015 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574