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 3lsm_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTAWTCAT 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 0.000 176.267 176.300 -0.054 0.000 1.140 43 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 43 M CB 0.000 32.351 32.600 -0.415 0.000 1.302 44 D N 3.163 123.561 120.400 -0.002 0.000 2.354 44 D HA 0.189 4.834 4.640 0.008 0.000 0.238 44 D C 1.118 177.320 176.300 -0.164 0.000 1.250 44 D CA 0.132 54.037 54.000 -0.159 0.000 0.911 44 D CB 0.793 41.370 40.800 -0.373 0.000 1.163 44 D HN 0.681 nan 8.370 nan 0.000 0.456 45 I N -2.539 117.925 120.570 -0.176 0.000 4.057 45 I HA 0.232 4.407 4.170 0.008 0.000 0.334 45 I C 0.429 176.485 176.117 -0.102 0.000 1.308 45 I CA 0.048 61.294 61.300 -0.089 0.000 1.125 45 I CB 0.084 38.055 38.000 -0.049 0.000 1.034 45 I HN -0.032 nan 8.210 nan 0.000 0.401 46 K N 0.718 120.944 120.400 -0.289 0.000 2.376 46 K HA 0.568 4.893 4.320 0.008 0.000 0.257 46 K C -1.741 174.525 176.600 -0.556 0.000 0.939 46 K CA -0.482 55.652 56.287 -0.256 0.000 0.809 46 K CB 1.018 33.434 32.500 -0.140 0.000 1.121 46 K HN 0.124 nan 8.250 nan 0.000 0.425 47 Y N 1.147 121.431 120.300 -0.027 0.000 2.633 47 Y HA 0.273 4.828 4.550 0.009 0.000 0.339 47 Y C 0.695 176.566 175.900 -0.049 0.000 1.045 47 Y CA -0.718 57.357 58.100 -0.041 0.000 1.098 47 Y CB 1.785 40.219 38.460 -0.043 0.000 1.296 47 Y HN 0.631 nan 8.280 nan 0.000 0.494 48 D N -0.012 120.467 120.400 0.133 0.000 2.120 48 D HA 0.031 4.676 4.640 0.008 0.000 0.202 48 D C -0.307 175.991 176.300 -0.005 0.000 0.972 48 D CA 1.416 55.477 54.000 0.102 0.000 0.837 48 D CB 0.245 41.173 40.800 0.213 0.000 0.989 48 D HN 0.106 nan 8.370 nan 0.000 0.469 49 V N 1.137 121.044 119.914 -0.012 0.000 2.656 49 V HA 0.399 4.524 4.120 0.008 0.000 0.307 49 V C -0.276 175.728 176.094 -0.149 0.000 1.051 49 V CA -1.052 61.152 62.300 -0.161 0.000 0.893 49 V CB 2.446 34.150 31.823 -0.198 0.000 0.999 49 V HN -0.004 nan 8.190 nan 0.000 0.426 50 V N 2.835 122.621 119.914 -0.213 0.000 2.495 50 V HA 0.740 4.865 4.120 0.008 0.000 0.298 50 V C -0.664 175.384 176.094 -0.077 0.000 1.031 50 V CA -0.562 61.676 62.300 -0.105 0.000 0.871 50 V CB 1.578 33.421 31.823 0.032 0.000 0.988 50 V HN 0.689 nan 8.190 nan 0.000 0.432 51 I N 4.657 125.199 120.570 -0.047 0.000 2.389 51 I HA 0.466 4.641 4.170 0.008 0.000 0.288 51 I C -0.472 175.669 176.117 0.040 0.000 0.999 51 I CA -0.928 60.332 61.300 -0.066 0.000 1.129 51 I CB 2.175 40.121 38.000 -0.091 0.000 1.288 51 I HN 0.445 nan 8.210 nan 0.000 0.444 52 V N 5.600 125.527 119.914 0.021 0.000 2.368 52 V HA 0.755 4.880 4.120 0.008 0.000 0.266 52 V C 0.530 176.630 176.094 0.011 0.000 1.045 52 V CA -0.292 62.040 62.300 0.053 0.000 0.899 52 V CB 0.450 32.279 31.823 0.011 0.000 1.006 52 V HN 1.064 nan 8.190 nan 0.000 0.470 53 G N 3.851 112.673 108.800 0.037 0.000 3.233 53 G HA2 -0.037 3.928 3.960 0.008 0.000 0.686 53 G HA3 -0.037 3.928 3.960 0.008 0.000 0.686 53 G C -0.007 174.910 174.900 0.028 0.000 1.153 53 G CA -0.253 44.861 45.100 0.023 0.000 0.853 53 G HN 1.244 nan 8.290 nan 0.000 0.582 54 S N 1.292 117.014 115.700 0.036 0.000 2.583 54 S HA 0.580 5.055 4.470 0.008 0.000 0.239 54 S C 1.382 176.001 174.600 0.031 0.000 0.966 54 S CA 0.718 58.947 58.200 0.048 0.000 0.973 54 S CB 0.579 63.818 63.200 0.064 0.000 0.794 54 S HN 1.873 nan 8.310 nan 0.000 0.463 55 G N 2.637 111.446 108.800 0.016 0.000 2.570 55 G HA2 0.372 4.337 3.960 0.008 0.000 0.276 55 G HA3 0.372 4.337 3.960 0.008 0.000 0.276 55 G C -1.225 173.666 174.900 -0.015 0.000 1.346 55 G CA -1.213 43.883 45.100 -0.007 0.000 1.034 55 G HN 0.261 nan 8.290 nan 0.000 0.512 56 P HA -0.034 nan 4.420 nan 0.000 0.223 56 P C 1.677 178.935 177.300 -0.070 0.000 1.151 56 P CA 0.636 63.703 63.100 -0.055 0.000 0.787 56 P CB 0.209 31.899 31.700 -0.018 0.000 0.788 57 I N 0.241 120.800 120.570 -0.017 0.000 2.277 57 I HA -0.019 4.156 4.170 0.008 0.000 0.243 57 I C 2.712 178.887 176.117 0.097 0.000 1.094 57 I CA 1.503 62.822 61.300 0.032 0.000 1.393 57 I CB -2.303 35.739 38.000 0.070 0.000 1.078 57 I HN -0.008 nan 8.210 nan 0.000 0.417 58 G N 0.306 109.142 108.800 0.060 0.000 2.469 58 G HA2 -0.257 3.708 3.960 0.008 0.000 0.220 58 G HA3 -0.257 3.708 3.960 0.008 0.000 0.220 58 G C 1.727 176.638 174.900 0.018 0.000 1.136 58 G CA 1.119 46.245 45.100 0.043 0.000 0.759 58 G HN 0.422 nan 8.290 nan 0.000 0.562 59 C N 0.556 119.843 119.300 -0.021 0.000 2.468 59 C HA 0.085 4.550 4.460 0.008 0.000 0.277 59 C C 3.137 178.015 174.990 -0.187 0.000 1.400 59 C CA 1.194 60.158 59.018 -0.089 0.000 1.770 59 C CB -0.890 26.844 27.740 -0.010 0.000 1.905 59 C HN 0.454 nan 8.230 nan 0.000 0.519 60 T N 0.133 114.602 114.554 -0.142 0.000 2.708 60 T HA -0.164 4.191 4.350 0.008 0.000 0.266 60 T C 1.454 176.012 174.700 -0.238 0.000 1.037 60 T CA 1.619 63.603 62.100 -0.193 0.000 1.146 60 T CB -0.402 68.369 68.868 -0.162 0.000 0.865 60 T HN 0.561 nan 8.240 nan 0.000 0.435 61 Y N 1.497 121.662 120.300 -0.225 0.000 2.145 61 Y HA -0.057 4.497 4.550 0.008 0.000 0.286 61 Y C 2.785 178.474 175.900 -0.352 0.000 1.145 61 Y CA 0.971 58.917 58.100 -0.256 0.000 1.148 61 Y CB -0.648 37.680 38.460 -0.221 0.000 0.981 61 Y HN 0.195 nan 8.280 nan 0.000 0.507 62 A N 0.177 122.818 122.820 -0.298 0.000 1.877 62 A HA -0.237 4.088 4.320 0.008 0.000 0.216 62 A C 2.261 179.267 177.584 -0.963 0.000 1.186 62 A CA 1.811 53.432 52.037 -0.692 0.000 0.620 62 A CB -0.803 17.583 19.000 -1.024 0.000 0.822 62 A HN 0.430 nan 8.150 nan 0.000 0.443 63 R N -0.353 119.639 120.500 -0.846 0.000 2.112 63 R HA -0.200 4.145 4.340 0.008 0.000 0.242 63 R C 2.088 178.168 176.300 -0.367 0.000 1.137 63 R CA 1.995 57.746 56.100 -0.581 0.000 0.944 63 R CB -0.278 29.707 30.300 -0.524 0.000 0.857 63 R HN 0.611 nan 8.270 nan 0.000 0.435 64 E N 0.138 120.161 120.200 -0.295 0.000 2.072 64 E HA -0.155 4.200 4.350 0.008 0.000 0.190 64 E C 2.105 178.632 176.600 -0.122 0.000 0.982 64 E CA 1.153 57.455 56.400 -0.163 0.000 0.803 64 E CB 0.004 29.601 29.700 -0.171 0.000 0.755 64 E HN 0.433 nan 8.360 nan 0.000 0.453 65 L N 0.267 121.387 121.223 -0.173 0.000 2.307 65 L HA -0.030 4.315 4.340 0.008 0.000 0.211 65 L C 2.412 179.317 176.870 0.058 0.000 1.099 65 L CA 0.136 54.924 54.840 -0.087 0.000 0.816 65 L CB -0.014 41.895 42.059 -0.249 0.000 0.952 65 L HN -0.055 nan 8.230 nan 0.000 0.455 66 V N 0.366 120.223 119.914 -0.095 0.000 2.358 66 V HA -0.143 3.982 4.120 0.008 0.000 0.246 66 V C 2.625 178.742 176.094 0.037 0.000 1.047 66 V CA 1.958 64.248 62.300 -0.016 0.000 1.035 66 V CB -1.063 30.683 31.823 -0.127 0.000 0.658 66 V HN 0.539 nan 8.190 nan 0.000 0.452 67 G N -0.255 108.539 108.800 -0.011 0.000 2.432 67 G HA2 -0.175 3.790 3.960 0.008 0.000 0.219 67 G HA3 -0.175 3.790 3.960 0.008 0.000 0.219 67 G C 1.509 176.440 174.900 0.053 0.000 1.135 67 G CA 0.885 46.000 45.100 0.025 0.000 0.767 67 G HN 0.624 nan 8.290 nan 0.000 0.550 68 A N -0.494 122.384 122.820 0.097 0.000 2.238 68 A HA 0.476 4.801 4.320 0.008 0.000 0.208 68 A C 1.933 179.541 177.584 0.039 0.000 1.177 68 A CA 1.266 53.375 52.037 0.120 0.000 0.804 68 A CB -0.375 18.787 19.000 0.270 0.000 0.823 68 A HN 1.575 nan 8.150 nan 0.000 0.482 69 G N -2.457 106.372 108.800 0.047 0.000 2.159 69 G HA2 -0.250 3.715 3.960 0.008 0.000 0.227 69 G HA3 -0.250 3.715 3.960 0.008 0.000 0.227 69 G C -0.065 174.765 174.900 -0.116 0.000 0.986 69 G CA 0.044 45.123 45.100 -0.035 0.000 0.651 69 G HN 0.378 nan 8.290 nan 0.000 0.523 70 Y N 0.474 120.770 120.300 -0.006 0.000 2.336 70 Y HA 0.438 4.993 4.550 0.008 0.000 0.331 70 Y C 1.116 177.001 175.900 -0.024 0.000 1.211 70 Y CA 0.054 58.146 58.100 -0.014 0.000 1.346 70 Y CB 0.729 39.173 38.460 -0.026 0.000 1.271 70 Y HN 0.093 nan 8.280 nan 0.000 0.538 71 K N 2.669 123.132 120.400 0.105 0.000 2.292 71 K HA 0.397 4.722 4.320 0.008 0.000 0.290 71 K C -1.517 175.174 176.600 0.151 0.000 1.083 71 K CA -0.105 56.224 56.287 0.069 0.000 0.918 71 K CB -0.040 32.464 32.500 0.008 0.000 1.089 71 K HN 0.485 nan 8.250 nan 0.000 0.473 72 V N 3.115 123.094 119.914 0.108 0.000 2.581 72 V HA 0.634 4.759 4.120 0.008 0.000 0.303 72 V C -0.345 175.596 176.094 -0.254 0.000 1.041 72 V CA -0.920 61.388 62.300 0.013 0.000 0.907 72 V CB 1.561 33.445 31.823 0.102 0.000 0.994 72 V HN 0.892 nan 8.190 nan 0.000 0.442 73 A N 5.385 127.893 122.820 -0.520 0.000 2.350 73 A HA 0.948 5.273 4.320 0.008 0.000 0.324 73 A C -0.699 176.511 177.584 -0.625 0.000 1.118 73 A CA -0.627 50.880 52.037 -0.883 0.000 0.783 73 A CB 1.651 19.740 19.000 -1.518 0.000 1.236 73 A HN 0.915 nan 8.150 nan 0.000 0.457 74 M N 2.171 121.325 119.600 -0.744 0.000 2.393 74 M HA 0.745 5.230 4.480 0.008 0.000 0.299 74 M C -2.210 173.761 176.300 -0.549 0.000 1.103 74 M CA -0.450 54.608 55.300 -0.403 0.000 0.910 74 M CB 1.298 33.857 32.600 -0.069 0.000 1.659 74 M HN 0.590 nan 8.290 nan 0.000 0.445 75 F N 2.319 122.263 119.950 -0.011 0.000 2.482 75 F HA 0.529 5.061 4.527 0.008 0.000 0.331 75 F C -0.127 175.673 175.800 0.001 0.000 1.115 75 F CA -0.557 57.456 58.000 0.023 0.000 0.955 75 F CB 1.422 40.420 39.000 -0.003 0.000 1.136 75 F HN 0.464 nan 8.300 nan 0.000 0.452 76 D N 2.944 123.438 120.400 0.156 0.000 2.619 76 D HA 0.257 4.902 4.640 0.008 0.000 0.241 76 D C 0.647 176.972 176.300 0.042 0.000 1.087 76 D CA -0.358 53.686 54.000 0.073 0.000 0.851 76 D CB 2.526 43.351 40.800 0.042 0.000 1.474 76 D HN 0.655 nan 8.370 nan 0.000 0.478 77 I N 1.894 122.440 120.570 -0.040 0.000 2.493 77 I HA 0.006 4.181 4.170 0.008 0.000 0.254 77 I C 1.146 177.221 176.117 -0.070 0.000 1.160 77 I CA 0.812 62.042 61.300 -0.116 0.000 1.445 77 I CB 0.158 37.969 38.000 -0.315 0.000 1.086 77 I HN 0.330 nan 8.210 nan 0.000 0.433 78 G N -0.121 108.656 108.800 -0.040 0.000 2.537 78 G HA2 0.387 4.351 3.960 0.008 0.000 0.297 78 G HA3 0.387 4.351 3.960 0.008 0.000 0.297 78 G C -0.874 174.042 174.900 0.027 0.000 1.310 78 G CA -0.421 44.682 45.100 0.005 0.000 1.027 78 G HN 0.287 nan 8.290 nan 0.000 0.505 79 E N -1.394 118.828 120.200 0.036 0.000 2.320 79 E HA 0.372 4.727 4.350 0.008 0.000 0.264 79 E C -0.431 176.192 176.600 0.037 0.000 0.923 79 E CA -0.750 55.673 56.400 0.039 0.000 0.796 79 E CB 2.524 32.250 29.700 0.043 0.000 1.262 79 E HN 0.263 nan 8.360 nan 0.000 0.428 80 I N 1.669 122.260 120.570 0.034 0.000 2.598 80 I HA -0.036 4.139 4.170 0.008 0.000 0.284 80 I C 0.143 176.286 176.117 0.042 0.000 1.140 80 I CA 0.953 62.274 61.300 0.034 0.000 1.420 80 I CB 0.227 38.242 38.000 0.025 0.000 1.387 80 I HN 0.532 nan 8.210 nan 0.000 0.553 81 D N 2.259 122.689 120.400 0.051 0.000 2.523 81 D HA 0.096 4.741 4.640 0.008 0.000 0.269 81 D C 0.268 176.619 176.300 0.085 0.000 1.374 81 D CA 0.209 54.247 54.000 0.063 0.000 0.820 81 D CB 0.668 41.504 40.800 0.059 0.000 1.211 81 D HN 0.318 nan 8.370 nan 0.000 0.502 82 S N 0.015 115.767 115.700 0.087 0.000 2.809 82 S HA 0.588 5.063 4.470 0.008 0.000 0.248 82 S C 0.687 175.353 174.600 0.110 0.000 1.071 82 S CA -0.108 58.162 58.200 0.116 0.000 1.059 82 S CB 1.153 64.424 63.200 0.118 0.000 0.923 82 S HN 0.456 nan 8.310 nan 0.000 0.516 83 G N 1.722 110.575 108.800 0.089 0.000 2.584 83 G HA2 -0.227 3.738 3.960 0.008 0.000 0.229 83 G HA3 -0.227 3.738 3.960 0.008 0.000 0.229 83 G C 0.304 175.235 174.900 0.052 0.000 1.320 83 G CA -0.243 44.901 45.100 0.072 0.000 0.891 83 G HN 0.321 nan 8.290 nan 0.000 0.573 84 L N 0.334 121.582 121.223 0.041 0.000 2.395 84 L HA 0.097 4.442 4.340 0.008 0.000 0.218 84 L C 1.375 178.255 176.870 0.016 0.000 1.130 84 L CA 0.970 55.823 54.840 0.023 0.000 0.826 84 L CB -0.390 41.677 42.059 0.014 0.000 0.941 84 L HN 0.331 nan 8.230 nan 0.000 0.451 85 K N 1.682 122.102 120.400 0.034 0.000 2.273 85 K HA 0.346 4.671 4.320 0.008 0.000 0.287 85 K C -0.306 176.315 176.600 0.035 0.000 1.089 85 K CA -0.239 56.065 56.287 0.029 0.000 0.909 85 K CB 1.022 33.553 32.500 0.052 0.000 1.123 85 K HN 0.073 nan 8.250 nan 0.000 0.473 86 I N 1.877 122.451 120.570 0.006 0.000 2.533 86 I HA -0.019 4.156 4.170 0.008 0.000 0.284 86 I C 1.322 177.456 176.117 0.027 0.000 1.109 86 I CA 0.629 61.937 61.300 0.014 0.000 1.412 86 I CB 0.552 38.549 38.000 -0.005 0.000 1.396 86 I HN 0.944 nan 8.210 nan 0.000 0.543 87 G N 4.372 113.200 108.800 0.046 0.000 2.179 87 G HA2 -0.208 3.757 3.960 0.008 0.000 0.257 87 G HA3 -0.208 3.757 3.960 0.008 0.000 0.257 87 G C 0.306 175.256 174.900 0.082 0.000 1.010 87 G CA 0.138 45.272 45.100 0.056 0.000 0.736 87 G HN 0.958 nan 8.290 nan 0.000 0.513 88 A N -0.540 122.342 122.820 0.104 0.000 2.272 88 A HA 0.633 4.958 4.320 0.008 0.000 0.275 88 A C 0.586 178.288 177.584 0.196 0.000 1.096 88 A CA -0.363 51.771 52.037 0.162 0.000 0.822 88 A CB 0.315 19.411 19.000 0.161 0.000 1.088 88 A HN 0.624 nan 8.150 nan 0.000 0.495 89 H N 0.469 119.671 119.070 0.221 0.000 2.975 89 H HA 0.095 4.656 4.556 0.007 0.000 0.303 89 H C 0.755 176.201 175.328 0.195 0.000 1.023 89 H CA 0.711 56.900 56.048 0.235 0.000 1.473 89 H CB 0.782 30.706 29.762 0.271 0.000 1.498 89 H HN 0.669 nan 8.280 nan 0.000 0.549 90 K N 3.476 124.066 120.400 0.317 0.000 2.362 90 K HA -0.110 4.215 4.320 0.008 0.000 0.200 90 K C 1.630 178.445 176.600 0.360 0.000 1.046 90 K CA 0.736 57.258 56.287 0.391 0.000 0.952 90 K CB 0.354 33.104 32.500 0.417 0.000 0.753 90 K HN 0.398 nan 8.250 nan 0.000 0.466 91 K N 0.951 121.414 120.400 0.106 0.000 2.487 91 K HA 0.013 4.338 4.320 0.008 0.000 0.192 91 K C 0.375 176.981 176.600 0.010 0.000 1.027 91 K CA 0.291 56.321 56.287 -0.428 0.000 1.054 91 K CB 0.266 32.097 32.500 -1.114 0.000 0.824 91 K HN 0.005 nan 8.250 nan 0.000 0.510 92 N N 1.659 120.482 118.700 0.205 0.000 2.410 92 N HA -0.027 4.718 4.740 0.008 0.000 0.231 92 N C -0.587 175.186 175.510 0.437 0.000 1.172 92 N CA 0.315 53.532 53.050 0.278 0.000 0.849 92 N CB 0.570 39.253 38.487 0.327 0.000 1.116 92 N HN 0.264 nan 8.380 nan 0.000 0.485 93 T N -4.095 110.687 114.554 0.380 0.000 2.929 93 T HA 0.329 4.684 4.350 0.008 0.000 0.284 93 T C 1.562 176.480 174.700 0.364 0.000 1.014 93 T CA -0.761 61.538 62.100 0.331 0.000 1.051 93 T CB 1.726 70.726 68.868 0.221 0.000 1.028 93 T HN -0.201 nan 8.240 nan 0.000 0.485 94 V N 1.321 121.396 119.914 0.268 0.000 2.392 94 V HA -0.109 4.016 4.120 0.008 0.000 0.249 94 V C 2.800 178.968 176.094 0.124 0.000 1.059 94 V CA 2.310 64.745 62.300 0.224 0.000 1.051 94 V CB -0.990 30.874 31.823 0.069 0.000 0.658 94 V HN 1.032 nan 8.190 nan 0.000 0.455 95 E N -0.381 119.828 120.200 0.014 0.000 2.106 95 E HA -0.195 4.160 4.350 0.008 0.000 0.192 95 E C 1.970 178.499 176.600 -0.117 0.000 0.984 95 E CA 1.503 57.841 56.400 -0.104 0.000 0.806 95 E CB -0.293 29.276 29.700 -0.219 0.000 0.750 95 E HN 0.682 nan 8.360 nan 0.000 0.458 96 Y N 0.605 120.974 120.300 0.114 0.000 2.439 96 Y HA 0.018 4.572 4.550 0.007 0.000 0.292 96 Y C 2.056 177.978 175.900 0.036 0.000 1.130 96 Y CA 1.008 59.160 58.100 0.087 0.000 1.254 96 Y CB -0.076 38.436 38.460 0.086 0.000 1.000 96 Y HN 0.163 nan 8.280 nan 0.000 0.554 97 Q N -0.325 119.578 119.800 0.173 0.000 2.331 97 Q HA -0.073 4.272 4.340 0.008 0.000 0.203 97 Q C 1.615 177.676 176.000 0.100 0.000 0.944 97 Q CA 0.635 56.500 55.803 0.104 0.000 0.892 97 Q CB 0.060 28.826 28.738 0.048 0.000 0.983 97 Q HN 0.441 nan 8.270 nan 0.000 0.482 98 K N 0.349 120.808 120.400 0.099 0.000 2.365 98 K HA 0.049 4.374 4.320 0.008 0.000 0.197 98 K C 0.316 176.952 176.600 0.061 0.000 1.042 98 K CA 0.444 56.770 56.287 0.066 0.000 0.987 98 K CB 0.423 32.950 32.500 0.045 0.000 0.779 98 K HN 0.078 nan 8.250 nan 0.000 0.484 99 N N 0.939 119.695 118.700 0.094 0.000 2.672 99 N HA 0.040 4.785 4.740 0.008 0.000 0.295 99 N C 0.119 175.734 175.510 0.176 0.000 1.924 99 N CA 0.016 53.131 53.050 0.110 0.000 0.851 99 N CB 1.001 39.545 38.487 0.095 0.000 1.281 99 N HN -0.024 nan 8.380 nan 0.000 0.494 100 I N 1.262 121.901 120.570 0.114 0.000 2.335 100 I HA -0.210 3.965 4.170 0.008 0.000 0.251 100 I C 1.523 177.685 176.117 0.075 0.000 1.129 100 I CA 1.660 63.014 61.300 0.089 0.000 1.402 100 I CB 0.062 38.069 38.000 0.010 0.000 1.069 100 I HN 0.181 nan 8.210 nan 0.000 0.424 101 D N 0.379 120.805 120.400 0.045 0.000 2.218 101 D HA -0.146 4.499 4.640 0.008 0.000 0.204 101 D C 1.926 178.245 176.300 0.033 0.000 0.976 101 D CA 0.714 54.715 54.000 0.002 0.000 0.853 101 D CB -0.041 40.754 40.800 -0.008 0.000 0.939 101 D HN 0.343 nan 8.370 nan 0.000 0.481 102 K N 0.155 120.628 120.400 0.122 0.000 2.365 102 K HA -0.080 4.245 4.320 0.008 0.000 0.199 102 K C 1.755 178.425 176.600 0.116 0.000 1.045 102 K CA 0.009 56.392 56.287 0.160 0.000 0.962 102 K CB -0.355 32.310 32.500 0.275 0.000 0.759 102 K HN 0.209 nan 8.250 nan 0.000 0.469 103 F N 1.403 121.298 119.950 -0.091 0.000 2.407 103 F HA -0.127 4.405 4.527 0.009 0.000 0.299 103 F C 1.839 177.496 175.800 -0.238 0.000 1.097 103 F CA 0.399 58.188 58.000 -0.351 0.000 1.422 103 F CB -0.021 38.743 39.000 -0.393 0.000 1.067 103 F HN -0.305 nan 8.300 nan 0.000 0.539 104 V N 0.654 120.458 119.914 -0.184 0.000 2.380 104 V HA -0.386 3.739 4.120 0.008 0.000 0.251 104 V C 1.828 177.763 176.094 -0.264 0.000 1.063 104 V CA 2.515 64.670 62.300 -0.242 0.000 1.055 104 V CB -0.963 30.738 31.823 -0.203 0.000 0.657 104 V HN 0.395 nan 8.190 nan 0.000 0.455 105 N N -0.314 118.261 118.700 -0.209 0.000 2.244 105 N HA -0.122 4.623 4.740 0.008 0.000 0.183 105 N C 1.659 177.027 175.510 -0.236 0.000 1.016 105 N CA 1.155 54.109 53.050 -0.160 0.000 0.866 105 N CB -0.207 38.238 38.487 -0.071 0.000 0.980 105 N HN 0.324 nan 8.380 nan 0.000 0.430 106 V N 1.377 121.037 119.914 -0.422 0.000 2.343 106 V HA -0.214 3.911 4.120 0.008 0.000 0.247 106 V C 2.037 177.848 176.094 -0.472 0.000 1.051 106 V CA 1.437 63.427 62.300 -0.516 0.000 1.036 106 V CB -0.501 30.761 31.823 -0.934 0.000 0.654 106 V HN 0.310 nan 8.190 nan 0.000 0.451 107 I N -0.312 119.911 120.570 -0.578 0.000 2.179 107 I HA -0.320 3.855 4.170 0.008 0.000 0.242 107 I C 2.712 178.732 176.117 -0.162 0.000 1.088 107 I CA 1.721 62.830 61.300 -0.319 0.000 1.357 107 I CB -0.482 37.362 38.000 -0.260 0.000 1.051 107 I HN 0.347 nan 8.210 nan 0.000 0.409 108 Q N 0.511 120.221 119.800 -0.150 0.000 2.135 108 Q HA -0.159 4.186 4.340 0.008 0.000 0.204 108 Q C 2.293 178.259 176.000 -0.057 0.000 0.981 108 Q CA 1.602 57.359 55.803 -0.075 0.000 0.856 108 Q CB -0.460 28.237 28.738 -0.069 0.000 0.902 108 Q HN 0.653 nan 8.270 nan 0.000 0.425 109 G N 1.075 109.827 108.800 -0.080 0.000 2.559 109 G HA2 -0.225 3.740 3.960 0.008 0.000 0.216 109 G HA3 -0.225 3.740 3.960 0.008 0.000 0.216 109 G C 1.026 175.910 174.900 -0.027 0.000 1.126 109 G CA 0.663 45.735 45.100 -0.047 0.000 0.778 109 G HN 0.483 nan 8.290 nan 0.000 0.543 110 Q N -0.686 119.092 119.800 -0.037 0.000 2.159 110 Q HA 0.404 4.749 4.340 0.008 0.000 0.217 110 Q C -0.039 175.973 176.000 0.020 0.000 0.818 110 Q CA -0.277 55.523 55.803 -0.005 0.000 1.008 110 Q CB 0.199 28.928 28.738 -0.015 0.000 1.148 110 Q HN 0.250 nan 8.270 nan 0.000 0.491 111 L N 2.045 123.280 121.223 0.020 0.000 2.276 111 L HA 0.497 4.842 4.340 0.008 0.000 0.286 111 L C -0.860 176.043 176.870 0.055 0.000 1.024 111 L CA -0.790 54.078 54.840 0.047 0.000 0.826 111 L CB 1.184 43.270 42.059 0.046 0.000 1.211 111 L HN 0.180 nan 8.230 nan 0.000 0.422 112 M N 2.304 121.950 119.600 0.076 0.000 2.088 112 M HA 0.254 4.739 4.480 0.008 0.000 0.346 112 M C 0.208 176.562 176.300 0.090 0.000 1.111 112 M CA 0.036 55.386 55.300 0.084 0.000 1.017 112 M CB 1.566 34.230 32.600 0.106 0.000 1.568 112 M HN 0.339 nan 8.290 nan 0.000 0.445 113 S N 1.969 117.712 115.700 0.071 0.000 2.546 113 S HA 0.068 4.543 4.470 0.008 0.000 0.290 113 S C 1.522 176.172 174.600 0.084 0.000 1.290 113 S CA -0.607 57.635 58.200 0.070 0.000 1.069 113 S CB 0.531 63.760 63.200 0.048 0.000 0.846 113 S HN 0.588 nan 8.310 nan 0.000 0.495 114 V N 2.519 122.495 119.914 0.103 0.000 2.307 114 V HA -0.031 4.094 4.120 0.008 0.000 0.245 114 V C 1.262 177.374 176.094 0.031 0.000 1.045 114 V CA 1.602 63.957 62.300 0.091 0.000 1.024 114 V CB -0.074 31.841 31.823 0.153 0.000 0.651 114 V HN 0.817 nan 8.190 nan 0.000 0.449 115 S N -0.616 115.118 115.700 0.055 0.000 2.737 115 S HA 0.486 4.961 4.470 0.008 0.000 0.269 115 S C -1.128 173.484 174.600 0.019 0.000 1.150 115 S CA -0.473 57.724 58.200 -0.004 0.000 1.077 115 S CB 1.426 64.589 63.200 -0.061 0.000 1.075 115 S HN 0.004 nan 8.310 nan 0.000 0.476 116 V N 7.950 127.863 119.914 -0.003 0.000 2.328 116 V HA 0.511 4.636 4.120 0.008 0.000 0.278 116 V C -1.962 174.122 176.094 -0.017 0.000 1.021 116 V CA -1.777 60.520 62.300 -0.004 0.000 0.838 116 V CB 1.298 33.121 31.823 -0.001 0.000 0.999 116 V HN 0.692 nan 8.190 nan 0.000 0.447 117 P HA 0.135 nan 4.420 nan 0.000 0.272 117 P C -0.116 177.167 177.300 -0.029 0.000 1.240 117 P CA -0.091 62.995 63.100 -0.023 0.000 0.791 117 P CB 0.807 32.493 31.700 -0.023 0.000 0.978 118 V N 2.324 122.224 119.914 -0.023 0.000 2.599 118 V HA -0.039 4.086 4.120 0.008 0.000 0.300 118 V C 1.314 177.372 176.094 -0.060 0.000 1.034 118 V CA 0.147 62.431 62.300 -0.027 0.000 1.115 118 V CB -0.709 31.117 31.823 0.005 0.000 0.934 118 V HN 0.608 nan 8.190 nan 0.000 0.485 119 N N 3.552 122.212 118.700 -0.067 0.000 2.470 119 N HA 0.066 4.811 4.740 0.008 0.000 0.268 119 N C 0.629 176.029 175.510 -0.183 0.000 1.136 119 N CA 0.480 53.474 53.050 -0.093 0.000 0.961 119 N CB 1.427 39.879 38.487 -0.057 0.000 1.067 119 N HN 0.890 nan 8.380 nan 0.000 0.468 120 T N 0.903 115.242 114.554 -0.357 0.000 3.252 120 T HA 0.263 4.618 4.350 0.008 0.000 0.286 120 T C 0.810 175.149 174.700 -0.602 0.000 1.013 120 T CA -0.463 61.073 62.100 -0.941 0.000 0.914 120 T CB -0.413 67.907 68.868 -0.913 0.000 1.131 120 T HN 0.274 nan 8.240 nan 0.000 0.529 121 L N 1.754 122.854 121.223 -0.206 0.000 2.485 121 L HA 0.333 4.678 4.340 0.008 0.000 0.275 121 L C 0.126 177.057 176.870 0.101 0.000 1.207 121 L CA -0.630 54.176 54.840 -0.056 0.000 0.855 121 L CB 0.652 42.703 42.059 -0.013 0.000 1.114 121 L HN 0.063 nan 8.230 nan 0.000 0.485 122 V N 4.514 124.492 119.914 0.107 0.000 2.364 122 V HA 0.187 4.312 4.120 0.008 0.000 0.272 122 V C 0.131 176.291 176.094 0.110 0.000 1.036 122 V CA -0.439 61.969 62.300 0.180 0.000 0.880 122 V CB 1.545 33.456 31.823 0.147 0.000 0.991 122 V HN 0.419 nan 8.190 nan 0.000 0.460 123 V N 5.509 125.490 119.914 0.112 0.000 2.293 123 V HA 0.343 4.468 4.120 0.008 0.000 0.275 123 V C 0.206 176.330 176.094 0.051 0.000 1.021 123 V CA -0.440 61.903 62.300 0.071 0.000 0.815 123 V CB 1.329 33.196 31.823 0.074 0.000 1.025 123 V HN 1.056 nan 8.190 nan 0.000 0.448 124 D N 1.963 122.386 120.400 0.038 0.000 2.501 124 D HA 0.008 4.653 4.640 0.008 0.000 0.224 124 D C 1.157 177.466 176.300 0.015 0.000 1.202 124 D CA 0.261 54.274 54.000 0.021 0.000 0.829 124 D CB 0.427 41.239 40.800 0.019 0.000 1.023 124 D HN 0.544 nan 8.370 nan 0.000 0.499 125 T N -1.794 112.772 114.554 0.020 0.000 3.215 125 T HA 0.322 4.677 4.350 0.008 0.000 0.271 125 T C 0.703 175.415 174.700 0.020 0.000 1.012 125 T CA -0.568 61.543 62.100 0.018 0.000 0.899 125 T CB -0.363 68.516 68.868 0.019 0.000 1.089 125 T HN 0.028 nan 8.240 nan 0.000 0.552 126 L N 2.027 123.263 121.223 0.022 0.000 2.483 126 L HA 0.274 4.619 4.340 0.008 0.000 0.275 126 L C 1.155 178.035 176.870 0.016 0.000 1.220 126 L CA -0.494 54.361 54.840 0.026 0.000 0.833 126 L CB 0.266 42.344 42.059 0.031 0.000 1.102 126 L HN 0.252 nan 8.230 nan 0.000 0.490 127 S N 2.023 117.736 115.700 0.022 0.000 2.560 127 S HA 0.107 4.582 4.470 0.008 0.000 0.284 127 S C -1.411 173.194 174.600 0.008 0.000 1.327 127 S CA -1.041 57.169 58.200 0.016 0.000 1.055 127 S CB 0.833 64.046 63.200 0.022 0.000 0.868 127 S HN 0.408 nan 8.310 nan 0.000 0.506 128 P HA -0.078 nan 4.420 nan 0.000 0.220 128 P C 1.332 178.629 177.300 -0.006 0.000 1.144 128 P CA 1.346 64.440 63.100 -0.010 0.000 0.800 128 P CB -0.192 31.502 31.700 -0.010 0.000 0.772 129 T N -5.686 108.875 114.554 0.010 0.000 3.067 129 T HA 0.096 4.451 4.350 0.008 0.000 0.261 129 T C 1.015 175.741 174.700 0.044 0.000 1.110 129 T CA 0.047 62.160 62.100 0.022 0.000 1.113 129 T CB -0.604 68.280 68.868 0.027 0.000 0.917 129 T HN -0.104 nan 8.240 nan 0.000 0.499 130 S N 1.420 117.150 115.700 0.050 0.000 2.564 130 S HA 0.258 4.733 4.470 0.008 0.000 0.278 130 S C -0.525 174.144 174.600 0.114 0.000 1.333 130 S CA -0.971 57.287 58.200 0.097 0.000 1.048 130 S CB 0.095 63.351 63.200 0.093 0.000 0.900 130 S HN 0.605 nan 8.310 nan 0.000 0.505 131 W N 3.179 124.487 121.300 0.013 0.000 2.322 131 W HA 0.158 4.821 4.660 0.006 0.000 0.328 131 W C 0.277 176.810 176.519 0.023 0.000 1.395 131 W CA 0.261 57.613 57.345 0.012 0.000 1.267 131 W CB 0.180 29.647 29.460 0.011 0.000 1.259 131 W HN 0.532 nan 8.180 nan 0.000 0.560 132 Q N 5.177 124.597 119.800 -0.634 0.000 2.321 132 Q HA 0.573 4.918 4.340 0.008 0.000 0.270 132 Q C -0.435 175.027 176.000 -0.897 0.000 1.032 132 Q CA -0.848 54.664 55.803 -0.485 0.000 0.784 132 Q CB 1.659 30.226 28.738 -0.286 0.000 1.264 132 Q HN 0.618 nan 8.270 nan 0.000 0.448 133 A N 2.351 124.882 122.820 -0.482 0.000 2.498 133 A HA 0.171 4.496 4.320 0.008 0.000 0.239 133 A C 0.500 177.899 177.584 -0.308 0.000 1.068 133 A CA 0.136 51.984 52.037 -0.315 0.000 0.766 133 A CB 0.517 19.606 19.000 0.148 0.000 1.003 133 A HN 0.887 nan 8.150 nan 0.000 0.497 134 S N -0.353 115.201 115.700 -0.244 0.000 2.517 134 S HA 0.139 4.614 4.470 0.008 0.000 0.214 134 S C 0.824 175.315 174.600 -0.181 0.000 0.991 134 S CA 0.752 58.834 58.200 -0.198 0.000 0.906 134 S CB -0.075 63.032 63.200 -0.154 0.000 0.789 134 S HN 1.142 nan 8.310 nan 0.000 0.513 135 T N -1.402 113.076 114.554 -0.126 0.000 2.841 135 T HA 0.643 4.998 4.350 0.008 0.000 0.296 135 T C -1.122 173.499 174.700 -0.132 0.000 1.166 135 T CA -0.725 61.298 62.100 -0.127 0.000 1.007 135 T CB 0.730 69.635 68.868 0.063 0.000 1.253 135 T HN -0.099 nan 8.240 nan 0.000 0.511 136 F N 2.886 122.926 119.950 0.150 0.000 2.467 136 F HA 0.420 4.952 4.527 0.008 0.000 0.349 136 F C 0.322 176.172 175.800 0.083 0.000 1.182 136 F CA -1.937 56.105 58.000 0.070 0.000 1.279 136 F CB -0.794 38.221 39.000 0.024 0.000 1.626 136 F HN 0.577 nan 8.300 nan 0.000 0.596 137 F N -0.802 119.250 119.950 0.169 0.000 2.375 137 F HA 0.612 5.145 4.527 0.011 0.000 0.313 137 F C -0.090 175.782 175.800 0.119 0.000 1.176 137 F CA -1.516 56.561 58.000 0.127 0.000 1.142 137 F CB -0.068 38.998 39.000 0.110 0.000 1.275 137 F HN -0.181 nan 8.300 nan 0.000 0.544 138 V N 3.731 123.785 119.914 0.233 0.000 2.439 138 V HA 0.269 4.394 4.120 0.008 0.000 0.271 138 V C 0.273 176.387 176.094 0.034 0.000 1.040 138 V CA -0.327 62.025 62.300 0.086 0.000 1.002 138 V CB -0.596 31.297 31.823 0.117 0.000 1.000 138 V HN 0.889 nan 8.190 nan 0.000 0.477 139 R N 3.671 124.100 120.500 -0.119 0.000 2.855 139 R HA 0.483 4.828 4.340 0.008 0.000 0.266 139 R C -0.289 175.980 176.300 -0.051 0.000 1.034 139 R CA -0.926 55.115 56.100 -0.099 0.000 0.944 139 R CB 0.786 30.910 30.300 -0.294 0.000 1.219 139 R HN 0.483 nan 8.270 nan 0.000 0.474 140 N N -0.321 118.368 118.700 -0.018 0.000 2.721 140 N HA -0.203 4.542 4.740 0.008 0.000 0.249 140 N C 0.769 176.275 175.510 -0.006 0.000 1.072 140 N CA 1.745 54.788 53.050 -0.011 0.000 0.710 140 N CB -1.365 37.110 38.487 -0.020 0.000 0.993 140 N HN 1.113 nan 8.380 nan 0.000 0.547 141 G N -1.791 107.010 108.800 0.002 0.000 2.155 141 G HA2 -0.345 3.620 3.960 0.008 0.000 0.257 141 G HA3 -0.345 3.620 3.960 0.008 0.000 0.257 141 G C 0.377 175.279 174.900 0.003 0.000 0.983 141 G CA 1.029 46.132 45.100 0.006 0.000 0.676 141 G HN 1.299 nan 8.290 nan 0.000 0.528 142 S N -0.710 114.987 115.700 -0.005 0.000 2.589 142 S HA 0.452 4.927 4.470 0.008 0.000 0.265 142 S C 0.175 174.772 174.600 -0.005 0.000 1.342 142 S CA 0.149 58.343 58.200 -0.010 0.000 1.005 142 S CB 1.627 64.814 63.200 -0.021 0.000 0.909 142 S HN 0.696 nan 8.310 nan 0.000 0.555 143 N N 1.658 120.348 118.700 -0.017 0.000 2.558 143 N HA 0.375 5.120 4.740 0.008 0.000 0.242 143 N C -1.830 173.670 175.510 -0.017 0.000 0.979 143 N CA -2.515 50.518 53.050 -0.030 0.000 0.931 143 N CB 1.324 39.768 38.487 -0.072 0.000 1.122 143 N HN 0.371 nan 8.380 nan 0.000 0.508 144 P HA -0.014 nan 4.420 nan 0.000 0.237 144 P C 0.334 177.659 177.300 0.042 0.000 1.178 144 P CA 0.707 63.827 63.100 0.033 0.000 0.766 144 P CB 0.630 32.364 31.700 0.056 0.000 0.876 145 E N -0.109 120.104 120.200 0.021 0.000 2.216 145 E HA -0.083 4.272 4.350 0.008 0.000 0.192 145 E C 0.913 177.526 176.600 0.022 0.000 0.988 145 E CA 0.569 57.004 56.400 0.057 0.000 0.834 145 E CB -0.146 29.534 29.700 -0.033 0.000 0.772 145 E HN 0.294 nan 8.360 nan 0.000 0.479 146 Q N 2.319 122.093 119.800 -0.045 0.000 2.296 146 Q HA 0.012 4.357 4.340 0.008 0.000 0.263 146 Q C -0.814 175.193 176.000 0.012 0.000 1.026 146 Q CA -0.102 55.674 55.803 -0.045 0.000 0.912 146 Q CB 0.638 29.337 28.738 -0.065 0.000 1.198 146 Q HN -0.183 nan 8.270 nan 0.000 0.407 147 D N 5.884 126.310 120.400 0.043 0.000 2.371 147 D HA 0.057 4.702 4.640 0.008 0.000 0.256 147 D C -1.731 174.582 176.300 0.022 0.000 1.193 147 D CA -1.917 52.108 54.000 0.041 0.000 0.881 147 D CB 1.280 42.117 40.800 0.061 0.000 1.143 147 D HN 0.412 nan 8.370 nan 0.000 0.473 148 P HA -0.067 nan 4.420 nan 0.000 0.223 148 P C 1.154 178.453 177.300 -0.002 0.000 1.151 148 P CA 0.768 63.864 63.100 -0.006 0.000 0.787 148 P CB 0.266 31.951 31.700 -0.024 0.000 0.788 149 L N -1.330 119.896 121.223 0.003 0.000 2.628 149 L HA 0.207 4.551 4.340 0.008 0.000 0.229 149 L C 1.342 178.218 176.870 0.011 0.000 1.137 149 L CA 0.190 55.032 54.840 0.003 0.000 0.909 149 L CB -0.129 41.928 42.059 -0.002 0.000 1.137 149 L HN -0.182 nan 8.230 nan 0.000 0.470 150 R N -0.207 120.309 120.500 0.027 0.000 2.734 150 R HA 0.217 4.562 4.340 0.008 0.000 0.395 150 R C -0.413 175.933 176.300 0.075 0.000 1.096 150 R CA -0.268 55.858 56.100 0.044 0.000 1.071 150 R CB 0.351 30.680 30.300 0.049 0.000 1.348 150 R HN 0.049 nan 8.270 nan 0.000 0.600 151 N N 0.502 119.224 118.700 0.037 0.000 2.483 151 N HA 0.393 5.138 4.740 0.008 0.000 0.285 151 N C -0.686 174.730 175.510 -0.157 0.000 1.210 151 N CA -0.661 52.394 53.050 0.007 0.000 0.931 151 N CB 1.233 39.724 38.487 0.006 0.000 1.220 151 N HN 0.073 nan 8.380 nan 0.000 0.542 152 L N 1.908 122.883 121.223 -0.412 0.000 2.589 152 L HA 0.223 4.568 4.340 0.008 0.000 0.244 152 L C 1.462 178.139 176.870 -0.323 0.000 1.159 152 L CA -0.280 54.181 54.840 -0.631 0.000 1.074 152 L CB 0.398 41.686 42.059 -1.285 0.000 1.391 152 L HN 0.623 nan 8.230 nan 0.000 0.423 153 S N -0.353 115.253 115.700 -0.157 0.000 2.419 153 S HA -0.131 4.344 4.470 0.008 0.000 0.233 153 S C 1.774 176.342 174.600 -0.054 0.000 1.016 153 S CA 1.142 59.303 58.200 -0.065 0.000 0.974 153 S CB -0.198 62.978 63.200 -0.039 0.000 0.786 153 S HN 0.621 nan 8.310 nan 0.000 0.492 154 G N 0.371 109.119 108.800 -0.087 0.000 2.880 154 G HA2 0.107 4.072 3.960 0.008 0.000 0.209 154 G HA3 0.107 4.072 3.960 0.008 0.000 0.209 154 G C 0.536 175.411 174.900 -0.041 0.000 1.157 154 G CA -0.339 44.729 45.100 -0.053 0.000 0.779 154 G HN 0.375 nan 8.290 nan 0.000 0.539 155 Q N 0.628 120.375 119.800 -0.088 0.000 2.315 155 Q HA 0.452 4.797 4.340 0.008 0.000 0.289 155 Q C -0.083 175.954 176.000 0.061 0.000 1.044 155 Q CA 0.381 56.165 55.803 -0.031 0.000 0.920 155 Q CB 1.278 29.966 28.738 -0.082 0.000 1.214 155 Q HN 0.301 nan 8.270 nan 0.000 0.392 156 A N 2.084 124.952 122.820 0.080 0.000 2.587 156 A HA 0.746 5.071 4.320 0.008 0.000 0.293 156 A C -0.958 176.694 177.584 0.113 0.000 1.087 156 A CA -0.548 51.546 52.037 0.095 0.000 0.692 156 A CB 1.376 20.425 19.000 0.081 0.000 1.291 156 A HN 0.468 nan 8.150 nan 0.000 0.407 157 V N -2.168 117.824 119.914 0.131 0.000 3.074 157 V HA 0.962 5.087 4.120 0.008 0.000 0.314 157 V C -0.420 175.752 176.094 0.129 0.000 1.117 157 V CA -0.607 61.786 62.300 0.155 0.000 1.014 157 V CB 1.639 33.613 31.823 0.251 0.000 1.057 157 V HN 0.900 nan 8.190 nan 0.000 0.438 158 T N 2.018 116.638 114.554 0.111 0.000 2.841 158 T HA 0.563 4.918 4.350 0.008 0.000 0.285 158 T C -0.414 174.320 174.700 0.056 0.000 0.991 158 T CA -0.459 61.685 62.100 0.074 0.000 0.966 158 T CB 1.224 70.127 68.868 0.058 0.000 0.962 158 T HN 0.749 nan 8.240 nan 0.000 0.438 159 R N 2.631 123.155 120.500 0.039 0.000 2.396 159 R HA 0.597 4.942 4.340 0.008 0.000 0.292 159 R C -0.672 175.638 176.300 0.017 0.000 1.240 159 R CA -0.548 55.553 56.100 0.001 0.000 1.270 159 R CB 0.723 31.003 30.300 -0.032 0.000 1.108 159 R HN 0.519 nan 8.270 nan 0.000 0.573 160 V N -1.808 118.117 119.914 0.018 0.000 3.120 160 V HA 0.430 4.555 4.120 0.008 0.000 0.303 160 V C -0.138 175.971 176.094 0.025 0.000 1.238 160 V CA -1.135 61.181 62.300 0.026 0.000 1.008 160 V CB 1.969 33.812 31.823 0.032 0.000 1.064 160 V HN 0.101 nan 8.190 nan 0.000 0.434 161 V N 3.389 123.321 119.914 0.030 0.000 2.540 161 V HA 0.521 4.646 4.120 0.008 0.000 0.297 161 V C 1.679 177.792 176.094 0.033 0.000 1.024 161 V CA 2.002 64.322 62.300 0.033 0.000 1.105 161 V CB 0.124 31.968 31.823 0.036 0.000 0.938 161 V HN 2.080 nan 8.190 nan 0.000 0.482 162 G N 3.394 112.211 108.800 0.029 0.000 2.213 162 G HA2 -0.007 3.958 3.960 0.008 0.000 0.226 162 G HA3 -0.007 3.958 3.960 0.008 0.000 0.226 162 G C 0.967 175.862 174.900 -0.009 0.000 0.992 162 G CA 0.237 45.347 45.100 0.017 0.000 0.632 162 G HN 2.044 nan 8.290 nan 0.000 0.511 163 G N 0.233 109.035 108.800 0.003 0.000 2.594 163 G HA2 -0.284 3.681 3.960 0.008 0.000 0.297 163 G HA3 -0.284 3.681 3.960 0.008 0.000 0.297 163 G C 1.194 176.087 174.900 -0.011 0.000 1.273 163 G CA 1.354 46.455 45.100 0.003 0.000 0.974 163 G HN 1.101 nan 8.290 nan 0.000 0.552 164 M N 1.569 121.160 119.600 -0.015 0.000 2.557 164 M HA 0.013 4.498 4.480 0.008 0.000 0.259 164 M C 2.714 178.976 176.300 -0.063 0.000 1.086 164 M CA 1.621 56.923 55.300 0.003 0.000 1.096 164 M CB -0.152 32.481 32.600 0.056 0.000 1.424 164 M HN 0.702 nan 8.290 nan 0.000 0.488 165 S N -0.421 115.144 115.700 -0.224 0.000 2.547 165 S HA -0.082 4.393 4.470 0.008 0.000 0.235 165 S C 1.718 176.237 174.600 -0.134 0.000 0.980 165 S CA 1.260 59.185 58.200 -0.457 0.000 0.941 165 S CB -0.989 61.917 63.200 -0.490 0.000 0.763 165 S HN 0.583 nan 8.310 nan 0.000 0.532 166 T N -2.295 112.198 114.554 -0.103 0.000 3.085 166 T HA 0.444 4.799 4.350 0.008 0.000 0.263 166 T C 1.343 175.862 174.700 -0.302 0.000 1.127 166 T CA 0.588 62.603 62.100 -0.141 0.000 1.103 166 T CB -0.086 68.776 68.868 -0.011 0.000 0.921 166 T HN 0.585 nan 8.240 nan 0.000 0.510 167 A N 0.021 122.766 122.820 -0.124 0.000 2.474 167 A HA 0.421 4.746 4.320 0.008 0.000 0.221 167 A C 0.738 178.546 177.584 0.374 0.000 1.298 167 A CA -0.638 51.489 52.037 0.149 0.000 1.008 167 A CB -0.107 18.977 19.000 0.140 0.000 1.217 167 A HN 0.641 nan 8.150 nan 0.000 0.553 168 W N 1.149 122.492 121.300 0.072 0.000 2.034 168 W HA 0.385 5.050 4.660 0.007 0.000 0.357 168 W C 0.527 177.137 176.519 0.152 0.000 1.326 168 W CA 0.875 58.304 57.345 0.139 0.000 1.318 168 W CB -0.859 28.657 29.460 0.094 0.000 1.193 168 W HN 0.247 nan 8.180 nan 0.000 0.620 169 T N -2.521 111.972 114.554 -0.102 0.000 3.144 169 T HA 0.136 4.491 4.350 0.008 0.000 0.249 169 T C 0.849 175.124 174.700 -0.708 0.000 1.089 169 T CA 0.435 62.306 62.100 -0.382 0.000 0.989 169 T CB -1.138 67.681 68.868 -0.082 0.000 0.992 169 T HN 0.718 nan 8.240 nan 0.000 0.540 170 C N 0.893 119.368 119.300 -1.375 0.000 4.392 170 C HA -0.060 4.405 4.460 0.008 0.000 0.280 170 C C 1.223 175.728 174.990 -0.807 0.000 1.381 170 C CA -0.424 57.559 59.018 -1.723 0.000 1.871 170 C CB -2.931 24.281 27.740 -0.880 0.000 1.323 170 C HN 1.011 nan 8.230 nan 0.000 0.772 171 A N 0.992 123.516 122.820 -0.493 0.000 2.354 171 A HA 0.592 4.917 4.320 0.008 0.000 0.281 171 A C 0.747 178.236 177.584 -0.159 0.000 1.174 171 A CA 0.953 52.854 52.037 -0.227 0.000 0.828 171 A CB 0.250 19.171 19.000 -0.132 0.000 1.099 171 A HN 1.343 nan 8.150 nan 0.000 0.516 172 T N 1.451 115.937 114.554 -0.113 0.000 3.504 172 T HA 0.515 4.870 4.350 0.008 0.000 0.286 172 T C -2.788 171.871 174.700 -0.069 0.000 1.530 172 T CA -1.536 60.538 62.100 -0.044 0.000 1.652 172 T CB 0.503 69.384 68.868 0.022 0.000 0.895 172 T HN 0.425 nan 8.240 nan 0.000 0.674 173 P HA 0.369 nan 4.420 nan 0.000 0.277 173 P C -0.125 177.033 177.300 -0.236 0.000 1.240 173 P CA -0.603 62.400 63.100 -0.162 0.000 0.798 173 P CB 1.037 32.607 31.700 -0.217 0.000 0.979 174 R N 1.060 121.338 120.500 -0.371 0.000 2.582 174 R HA 0.363 4.708 4.340 0.008 0.000 0.271 174 R C 0.064 176.242 176.300 -0.204 0.000 1.078 174 R CA -0.377 55.304 56.100 -0.699 0.000 1.127 174 R CB 0.143 29.895 30.300 -0.912 0.000 1.038 174 R HN 0.371 nan 8.270 nan 0.000 0.500 175 F N 2.082 121.805 119.950 -0.378 0.000 2.412 175 F HA 0.050 4.582 4.527 0.008 0.000 0.348 175 F C 0.968 176.587 175.800 -0.300 0.000 1.102 175 F CA -1.635 56.172 58.000 -0.323 0.000 1.196 175 F CB 0.234 39.035 39.000 -0.331 0.000 1.144 175 F HN 0.541 nan 8.300 nan 0.000 0.541 176 D N 2.436 122.771 120.400 -0.107 0.000 2.371 176 D HA 0.092 4.737 4.640 0.008 0.000 0.242 176 D C 1.080 177.295 176.300 -0.141 0.000 1.218 176 D CA -0.402 53.531 54.000 -0.112 0.000 0.945 176 D CB 0.577 41.328 40.800 -0.082 0.000 1.137 176 D HN 0.479 nan 8.370 nan 0.000 0.464 177 R N -0.268 120.173 120.500 -0.098 0.000 2.103 177 R HA -0.235 4.110 4.340 0.008 0.000 0.242 177 R C 2.002 178.245 176.300 -0.095 0.000 1.142 177 R CA 2.053 58.099 56.100 -0.090 0.000 0.960 177 R CB -0.378 29.904 30.300 -0.031 0.000 0.858 177 R HN 0.703 nan 8.270 nan 0.000 0.439 178 E N 0.908 121.055 120.200 -0.088 0.000 2.209 178 E HA -0.216 4.139 4.350 0.008 0.000 0.196 178 E C 1.463 177.959 176.600 -0.174 0.000 0.993 178 E CA 1.392 57.749 56.400 -0.071 0.000 0.819 178 E CB 0.162 29.882 29.700 0.034 0.000 0.745 178 E HN 0.399 nan 8.360 nan 0.000 0.477 179 Q N -0.643 118.953 119.800 -0.340 0.000 2.356 179 Q HA 0.149 4.494 4.340 0.008 0.000 0.205 179 Q C 0.302 176.191 176.000 -0.185 0.000 0.901 179 Q CA -0.129 55.405 55.803 -0.449 0.000 0.938 179 Q CB 0.604 28.755 28.738 -0.978 0.000 1.081 179 Q HN -0.016 nan 8.270 nan 0.000 0.517 180 R N 2.017 122.451 120.500 -0.110 0.000 2.532 180 R HA 0.322 4.667 4.340 0.008 0.000 0.295 180 R C -2.546 173.724 176.300 -0.051 0.000 0.968 180 R CA -2.071 53.964 56.100 -0.108 0.000 0.916 180 R CB 1.097 31.150 30.300 -0.412 0.000 1.124 180 R HN -0.120 nan 8.270 nan 0.000 0.463 181 P HA 0.088 nan 4.420 nan 0.000 0.274 181 P C -0.627 176.821 177.300 0.247 0.000 1.237 181 P CA -0.250 62.925 63.100 0.124 0.000 0.793 181 P CB 0.773 32.547 31.700 0.124 0.000 0.977 182 L N 2.301 123.646 121.223 0.205 0.000 2.367 182 L HA 0.144 4.489 4.340 0.008 0.000 0.275 182 L C 1.687 178.715 176.870 0.263 0.000 1.129 182 L CA -0.164 54.867 54.840 0.319 0.000 0.839 182 L CB 0.170 42.469 42.059 0.400 0.000 1.133 182 L HN 0.357 nan 8.230 nan 0.000 0.453 183 L N 3.582 125.002 121.223 0.327 0.000 2.609 183 L HA 0.212 4.557 4.340 0.008 0.000 0.230 183 L C -0.154 176.889 176.870 0.290 0.000 1.087 183 L CA 0.155 55.078 54.840 0.140 0.000 0.874 183 L CB 0.691 42.630 42.059 -0.200 0.000 1.114 183 L HN 0.327 nan 8.230 nan 0.000 0.488 184 V N 0.556 120.656 119.914 0.309 0.000 2.588 184 V HA 0.264 4.389 4.120 0.008 0.000 0.304 184 V C -0.581 175.613 176.094 0.167 0.000 1.042 184 V CA -1.003 61.417 62.300 0.199 0.000 0.877 184 V CB 1.940 33.828 31.823 0.107 0.000 0.996 184 V HN 0.133 nan 8.190 nan 0.000 0.425 185 K N 2.865 123.229 120.400 -0.062 0.000 2.174 185 K HA 0.556 4.881 4.320 0.008 0.000 0.275 185 K C -0.248 176.320 176.600 -0.052 0.000 1.015 185 K CA -0.570 55.643 56.287 -0.123 0.000 0.933 185 K CB 0.472 32.720 32.500 -0.420 0.000 1.025 185 K HN 0.620 nan 8.250 nan 0.000 0.463 186 D N 1.042 121.436 120.400 -0.010 0.000 2.981 186 D HA -0.151 4.493 4.640 0.008 0.000 0.223 186 D C -0.883 175.423 176.300 0.010 0.000 1.151 186 D CA 1.349 55.346 54.000 -0.005 0.000 0.827 186 D CB -0.871 39.909 40.800 -0.033 0.000 1.101 186 D HN 0.739 nan 8.370 nan 0.000 0.426 187 D N -1.310 119.109 120.400 0.031 0.000 2.634 187 D HA 0.394 5.039 4.640 0.008 0.000 0.236 187 D C 0.900 177.236 176.300 0.059 0.000 1.323 187 D CA 0.263 54.285 54.000 0.036 0.000 0.884 187 D CB 0.200 41.016 40.800 0.025 0.000 1.496 187 D HN -0.001 nan 8.370 nan 0.000 0.525 188 A N 1.966 124.822 122.820 0.060 0.000 1.972 188 A HA -0.136 4.189 4.320 0.008 0.000 0.219 188 A C 1.641 179.272 177.584 0.079 0.000 1.169 188 A CA 1.302 53.384 52.037 0.076 0.000 0.635 188 A CB 0.023 19.061 19.000 0.063 0.000 0.810 188 A HN 0.456 nan 8.150 nan 0.000 0.446 189 D N 0.111 120.548 120.400 0.061 0.000 2.149 189 D HA -0.006 4.639 4.640 0.008 0.000 0.201 189 D C 2.229 178.569 176.300 0.066 0.000 0.972 189 D CA 1.278 55.314 54.000 0.060 0.000 0.835 189 D CB -0.300 40.526 40.800 0.043 0.000 0.966 189 D HN 0.437 nan 8.370 nan 0.000 0.476 190 A N 1.223 124.078 122.820 0.060 0.000 1.902 190 A HA -0.225 4.100 4.320 0.008 0.000 0.217 190 A C 1.965 179.597 177.584 0.080 0.000 1.181 190 A CA 2.009 54.080 52.037 0.056 0.000 0.623 190 A CB -0.594 18.431 19.000 0.041 0.000 0.818 190 A HN 0.150 nan 8.150 nan 0.000 0.443 191 D N -0.181 120.289 120.400 0.117 0.000 2.087 191 D HA -0.180 4.465 4.640 0.008 0.000 0.192 191 D C 1.350 177.812 176.300 0.271 0.000 0.993 191 D CA 1.712 55.831 54.000 0.198 0.000 0.828 191 D CB -0.175 40.766 40.800 0.236 0.000 0.968 191 D HN 0.346 nan 8.370 nan 0.000 0.448 192 D N -0.181 120.347 120.400 0.214 0.000 2.116 192 D HA -0.188 4.457 4.640 0.008 0.000 0.193 192 D C 1.994 178.406 176.300 0.187 0.000 0.998 192 D CA 1.609 55.735 54.000 0.210 0.000 0.836 192 D CB -0.680 40.196 40.800 0.126 0.000 0.951 192 D HN 0.347 nan 8.370 nan 0.000 0.449 193 A N 0.622 123.513 122.820 0.118 0.000 1.902 193 A HA -0.226 4.099 4.320 0.008 0.000 0.217 193 A C 2.158 179.772 177.584 0.050 0.000 1.181 193 A CA 2.073 54.155 52.037 0.075 0.000 0.623 193 A CB -0.568 18.459 19.000 0.046 0.000 0.818 193 A HN 0.213 nan 8.150 nan 0.000 0.443 194 E N -0.885 119.327 120.200 0.020 0.000 2.051 194 E HA -0.196 4.159 4.350 0.008 0.000 0.192 194 E C 1.688 178.197 176.600 -0.151 0.000 0.991 194 E CA 1.560 57.903 56.400 -0.095 0.000 0.799 194 E CB -0.508 29.095 29.700 -0.163 0.000 0.748 194 E HN 0.711 nan 8.360 nan 0.000 0.449 195 W N 0.879 122.144 121.300 -0.058 0.000 2.338 195 W HA -0.146 4.519 4.660 0.008 0.000 0.304 195 W C 2.224 178.739 176.519 -0.008 0.000 1.212 195 W CA 1.379 58.660 57.345 -0.108 0.000 1.264 195 W CB -0.509 28.930 29.460 -0.036 0.000 1.142 195 W HN 0.257 nan 8.180 nan 0.000 0.512 196 D N -0.066 120.500 120.400 0.277 0.000 2.117 196 D HA -0.214 4.431 4.640 0.008 0.000 0.197 196 D C 2.158 178.527 176.300 0.115 0.000 0.987 196 D CA 1.539 55.669 54.000 0.216 0.000 0.829 196 D CB -0.264 40.621 40.800 0.142 0.000 0.961 196 D HN -0.030 nan 8.370 nan 0.000 0.460 197 R N -0.307 120.213 120.500 0.034 0.000 2.083 197 R HA -0.111 4.234 4.340 0.008 0.000 0.237 197 R C 2.467 178.721 176.300 -0.077 0.000 1.137 197 R CA 1.296 57.378 56.100 -0.030 0.000 0.951 197 R CB -0.343 29.922 30.300 -0.059 0.000 0.851 197 R HN 0.269 nan 8.270 nan 0.000 0.434 198 L N -0.696 120.443 121.223 -0.140 0.000 2.056 198 L HA -0.162 4.183 4.340 0.008 0.000 0.207 198 L C 2.351 179.141 176.870 -0.134 0.000 1.078 198 L CA 1.096 55.798 54.840 -0.230 0.000 0.749 198 L CB -0.591 41.221 42.059 -0.412 0.000 0.901 198 L HN 0.189 nan 8.230 nan 0.000 0.433 199 Y N 0.411 120.704 120.300 -0.011 0.000 2.224 199 Y HA -0.233 4.322 4.550 0.008 0.000 0.289 199 Y C 2.873 178.751 175.900 -0.037 0.000 1.146 199 Y CA 1.573 59.679 58.100 0.009 0.000 1.182 199 Y CB -1.071 37.430 38.460 0.068 0.000 0.983 199 Y HN 0.131 nan 8.280 nan 0.000 0.524 200 T N -0.379 114.244 114.554 0.114 0.000 2.746 200 T HA -0.223 4.132 4.350 0.008 0.000 0.267 200 T C 1.959 176.629 174.700 -0.050 0.000 1.039 200 T CA 1.719 63.840 62.100 0.036 0.000 1.142 200 T CB -0.191 68.690 68.868 0.022 0.000 0.866 200 T HN 0.217 nan 8.240 nan 0.000 0.444 201 K N 0.943 121.255 120.400 -0.147 0.000 2.057 201 K HA -0.011 4.314 4.320 0.008 0.000 0.207 201 K C 2.469 178.751 176.600 -0.530 0.000 1.049 201 K CA 1.179 57.251 56.287 -0.359 0.000 0.931 201 K CB -0.312 31.921 32.500 -0.444 0.000 0.714 201 K HN 0.272 nan 8.250 nan 0.000 0.440 202 A N 1.140 123.768 122.820 -0.320 0.000 1.902 202 A HA -0.201 4.124 4.320 0.008 0.000 0.217 202 A C 1.847 179.445 177.584 0.024 0.000 1.181 202 A CA 1.770 53.690 52.037 -0.195 0.000 0.623 202 A CB -0.503 18.487 19.000 -0.017 0.000 0.818 202 A HN 0.462 nan 8.150 nan 0.000 0.443 203 E N -0.594 119.658 120.200 0.087 0.000 2.077 203 E HA -0.157 4.198 4.350 0.008 0.000 0.193 203 E C 2.280 178.969 176.600 0.148 0.000 0.989 203 E CA 1.239 57.733 56.400 0.157 0.000 0.800 203 E CB -0.195 29.569 29.700 0.106 0.000 0.746 203 E HN 0.586 nan 8.360 nan 0.000 0.452 204 S N -0.410 115.332 115.700 0.069 0.000 2.368 204 S HA -0.173 4.302 4.470 0.008 0.000 0.225 204 S C 1.836 176.592 174.600 0.261 0.000 1.030 204 S CA 0.964 59.236 58.200 0.121 0.000 0.999 204 S CB -0.224 63.016 63.200 0.067 0.000 0.844 204 S HN 0.266 nan 8.310 nan 0.000 0.459 205 Y N 0.336 120.645 120.300 0.015 0.000 2.128 205 Y HA -0.015 4.540 4.550 0.008 0.000 0.284 205 Y C 2.101 178.020 175.900 0.032 0.000 1.154 205 Y CA 0.486 58.560 58.100 -0.042 0.000 1.149 205 Y CB -1.166 37.184 38.460 -0.184 0.000 0.976 205 Y HN 0.328 nan 8.280 nan 0.000 0.505 206 F N 0.200 120.315 119.950 0.274 0.000 2.661 206 F HA -0.011 4.521 4.527 0.009 0.000 0.298 206 F C 0.849 176.767 175.800 0.198 0.000 1.137 206 F CA 0.387 58.534 58.000 0.246 0.000 1.454 206 F CB -0.383 38.785 39.000 0.280 0.000 1.103 206 F HN 0.035 nan 8.300 nan 0.000 0.577 207 Q N 0.420 120.415 119.800 0.325 0.000 2.470 207 Q HA -0.182 4.163 4.340 0.008 0.000 0.294 207 Q C 0.037 176.138 176.000 0.168 0.000 1.356 207 Q CA 0.716 56.639 55.803 0.199 0.000 0.805 207 Q CB -2.661 26.172 28.738 0.157 0.000 1.157 207 Q HN 0.216 nan 8.270 nan 0.000 0.431 208 T N -0.050 114.617 114.554 0.189 0.000 2.901 208 T HA 0.513 4.868 4.350 0.008 0.000 0.301 208 T C 0.769 175.514 174.700 0.076 0.000 1.012 208 T CA 0.513 62.689 62.100 0.127 0.000 1.135 208 T CB 1.428 70.378 68.868 0.137 0.000 0.936 208 T HN 0.488 nan 8.240 nan 0.000 0.539 209 G N 0.456 109.285 108.800 0.049 0.000 2.684 209 G HA2 0.545 4.509 3.960 0.008 0.000 0.290 209 G HA3 0.545 4.509 3.960 0.008 0.000 0.290 209 G C 0.060 174.984 174.900 0.040 0.000 1.425 209 G CA -0.572 44.548 45.100 0.034 0.000 0.822 209 G HN 0.634 nan 8.290 nan 0.000 0.482 210 T N -2.541 112.039 114.554 0.044 0.000 3.231 210 T HA 0.278 4.633 4.350 0.008 0.000 0.292 210 T C 0.135 174.884 174.700 0.082 0.000 1.001 210 T CA 0.540 62.680 62.100 0.067 0.000 0.920 210 T CB 0.395 69.301 68.868 0.064 0.000 1.140 210 T HN 0.559 nan 8.240 nan 0.000 0.525 211 D N 0.244 120.674 120.400 0.049 0.000 2.594 211 D HA 0.090 4.735 4.640 0.008 0.000 0.256 211 D C 1.097 177.375 176.300 -0.038 0.000 1.393 211 D CA -0.204 53.816 54.000 0.035 0.000 0.797 211 D CB -0.108 40.709 40.800 0.029 0.000 1.110 211 D HN 0.188 nan 8.370 nan 0.000 0.495 212 Q N -0.509 119.255 119.800 -0.060 0.000 2.437 212 Q HA 0.163 4.508 4.340 0.008 0.000 0.210 212 Q C 0.247 175.908 176.000 -0.565 0.000 0.972 212 Q CA 0.951 56.583 55.803 -0.285 0.000 0.903 212 Q CB -0.266 28.269 28.738 -0.339 0.000 0.967 212 Q HN 0.312 nan 8.270 nan 0.000 0.486 213 F N -0.122 119.696 119.950 -0.221 0.000 2.668 213 F HA 0.215 4.747 4.527 0.009 0.000 0.301 213 F C 1.258 176.928 175.800 -0.216 0.000 1.106 213 F CA -0.475 57.341 58.000 -0.307 0.000 1.289 213 F CB 0.349 39.042 39.000 -0.512 0.000 1.006 213 F HN 0.012 nan 8.300 nan 0.000 0.535 214 K N -0.227 120.166 120.400 -0.012 0.000 2.283 214 K HA -0.064 4.261 4.320 0.008 0.000 0.202 214 K C 0.766 177.429 176.600 0.105 0.000 1.048 214 K CA 1.317 57.682 56.287 0.130 0.000 0.948 214 K CB -0.076 32.468 32.500 0.072 0.000 0.742 214 K HN 0.141 nan 8.250 nan 0.000 0.458 215 E N 1.435 121.581 120.200 -0.091 0.000 2.479 215 E HA 0.016 4.371 4.350 0.008 0.000 0.193 215 E C -0.098 176.512 176.600 0.017 0.000 1.049 215 E CA 0.075 56.308 56.400 -0.278 0.000 0.870 215 E CB 0.581 30.011 29.700 -0.450 0.000 0.944 215 E HN 0.226 nan 8.360 nan 0.000 0.492 216 S N 0.809 116.595 115.700 0.144 0.000 2.505 216 S HA 0.191 4.666 4.470 0.008 0.000 0.276 216 S C 1.298 176.016 174.600 0.196 0.000 1.274 216 S CA -0.441 57.865 58.200 0.177 0.000 1.053 216 S CB 0.393 63.730 63.200 0.227 0.000 0.919 216 S HN 0.072 nan 8.310 nan 0.000 0.490 217 I N 4.998 125.545 120.570 -0.038 0.000 2.233 217 I HA -0.107 4.068 4.170 0.008 0.000 0.243 217 I C 2.637 178.648 176.117 -0.176 0.000 1.093 217 I CA 0.905 61.949 61.300 -0.427 0.000 1.380 217 I CB -0.170 37.355 38.000 -0.792 0.000 1.067 217 I HN 0.689 nan 8.210 nan 0.000 0.413 218 R N -0.429 120.036 120.500 -0.059 0.000 2.081 218 R HA -0.235 4.110 4.340 0.008 0.000 0.235 218 R C 2.344 178.715 176.300 0.118 0.000 1.131 218 R CA 1.725 57.839 56.100 0.024 0.000 0.960 218 R CB -0.666 29.652 30.300 0.030 0.000 0.856 218 R HN 0.417 nan 8.270 nan 0.000 0.436 219 H N 1.234 120.345 119.070 0.069 0.000 2.267 219 H HA -0.072 4.489 4.556 0.008 0.000 0.297 219 H C 1.795 177.206 175.328 0.138 0.000 1.080 219 H CA 2.008 58.116 56.048 0.101 0.000 1.278 219 H CB -0.138 29.713 29.762 0.148 0.000 1.365 219 H HN 0.119 nan 8.280 nan 0.000 0.489 220 N N 0.137 118.937 118.700 0.166 0.000 2.142 220 N HA -0.135 4.610 4.740 0.008 0.000 0.186 220 N C 2.085 177.713 175.510 0.197 0.000 1.023 220 N CA 1.052 54.205 53.050 0.172 0.000 0.852 220 N CB -0.359 38.407 38.487 0.465 0.000 0.998 220 N HN 0.292 nan 8.380 nan 0.000 0.424 221 L N 1.477 122.866 121.223 0.276 0.000 1.997 221 L HA -0.175 4.169 4.340 0.008 0.000 0.216 221 L C 2.163 179.091 176.870 0.098 0.000 1.074 221 L CA 1.540 56.523 54.840 0.238 0.000 0.763 221 L CB -0.710 41.466 42.059 0.195 0.000 0.890 221 L HN -0.087 nan 8.230 nan 0.000 0.434 222 V N -1.067 118.873 119.914 0.045 0.000 2.323 222 V HA -0.219 3.905 4.120 0.008 0.000 0.244 222 V C 2.400 178.445 176.094 -0.081 0.000 1.041 222 V CA 1.442 63.742 62.300 -0.001 0.000 1.025 222 V CB -0.566 31.252 31.823 -0.009 0.000 0.656 222 V HN 0.502 nan 8.190 nan 0.000 0.451 223 L N 1.082 122.227 121.223 -0.130 0.000 1.990 223 L HA -0.203 4.142 4.340 0.008 0.000 0.213 223 L C 2.193 179.000 176.870 -0.106 0.000 1.072 223 L CA 2.164 56.909 54.840 -0.157 0.000 0.755 223 L CB -0.968 40.942 42.059 -0.247 0.000 0.889 223 L HN 0.320 nan 8.230 nan 0.000 0.432 224 N N -0.338 118.336 118.700 -0.043 0.000 2.188 224 N HA -0.189 4.556 4.740 0.008 0.000 0.184 224 N C 1.824 177.311 175.510 -0.039 0.000 1.018 224 N CA 1.177 54.215 53.050 -0.019 0.000 0.858 224 N CB -0.308 38.183 38.487 0.006 0.000 0.989 224 N HN 0.272 nan 8.380 nan 0.000 0.426 225 K N 1.484 121.860 120.400 -0.040 0.000 2.002 225 K HA 0.050 4.375 4.320 0.008 0.000 0.209 225 K C 1.950 178.504 176.600 -0.078 0.000 1.048 225 K CA 0.967 57.233 56.287 -0.036 0.000 0.930 225 K CB -0.595 31.903 32.500 -0.003 0.000 0.714 225 K HN 0.118 nan 8.250 nan 0.000 0.438 226 L N 0.153 121.252 121.223 -0.206 0.000 2.079 226 L HA -0.193 4.152 4.340 0.008 0.000 0.210 226 L C 2.286 178.976 176.870 -0.300 0.000 1.081 226 L CA 1.771 56.342 54.840 -0.448 0.000 0.752 226 L CB -0.840 40.494 42.059 -1.209 0.000 0.896 226 L HN 0.257 nan 8.230 nan 0.000 0.433 227 T N -0.879 113.573 114.554 -0.169 0.000 2.708 227 T HA -0.257 4.098 4.350 0.008 0.000 0.266 227 T C 1.804 176.574 174.700 0.116 0.000 1.037 227 T CA 1.729 63.895 62.100 0.110 0.000 1.146 227 T CB -0.118 68.810 68.868 0.101 0.000 0.865 227 T HN 0.399 nan 8.240 nan 0.000 0.435 228 E N 0.531 120.756 120.200 0.041 0.000 2.051 228 E HA -0.170 4.185 4.350 0.008 0.000 0.192 228 E C 2.198 178.813 176.600 0.026 0.000 0.991 228 E CA 0.951 57.367 56.400 0.027 0.000 0.799 228 E CB 0.061 29.756 29.700 -0.008 0.000 0.748 228 E HN 0.325 nan 8.360 nan 0.000 0.449 229 E N -0.321 119.887 120.200 0.012 0.000 2.153 229 E HA -0.162 4.192 4.350 0.008 0.000 0.194 229 E C 0.783 177.278 176.600 -0.174 0.000 0.988 229 E CA 0.966 57.308 56.400 -0.096 0.000 0.811 229 E CB -0.016 29.605 29.700 -0.132 0.000 0.746 229 E HN 0.465 nan 8.360 nan 0.000 0.466 230 Y N 1.464 121.812 120.300 0.080 0.000 2.708 230 Y HA 0.064 4.618 4.550 0.008 0.000 0.287 230 Y C 0.321 176.289 175.900 0.113 0.000 1.145 230 Y CA -0.671 57.510 58.100 0.135 0.000 1.249 230 Y CB 0.170 38.800 38.460 0.283 0.000 1.152 230 Y HN -0.182 nan 8.280 nan 0.000 0.532 231 K N 0.476 120.975 120.400 0.165 0.000 2.404 231 K HA -0.013 4.312 4.320 0.008 0.000 0.271 231 K C 0.940 177.608 176.600 0.113 0.000 1.130 231 K CA 1.266 57.628 56.287 0.125 0.000 1.181 231 K CB -0.304 32.234 32.500 0.063 0.000 0.840 231 K HN 0.617 nan 8.250 nan 0.000 0.483 232 G N 2.871 111.741 108.800 0.116 0.000 2.143 232 G HA2 -0.314 3.651 3.960 0.008 0.000 0.248 232 G HA3 -0.314 3.651 3.960 0.008 0.000 0.248 232 G C 0.494 175.451 174.900 0.095 0.000 0.991 232 G CA 0.684 45.835 45.100 0.086 0.000 0.689 232 G HN 0.714 nan 8.290 nan 0.000 0.522 233 Q N -1.636 118.248 119.800 0.141 0.000 2.459 233 Q HA 0.263 4.608 4.340 0.008 0.000 0.260 233 Q C 1.147 177.214 176.000 0.111 0.000 0.828 233 Q CA 0.130 56.017 55.803 0.141 0.000 0.987 233 Q CB 1.111 29.967 28.738 0.197 0.000 1.216 233 Q HN 0.484 nan 8.270 nan 0.000 0.558 234 R N 0.437 121.002 120.500 0.108 0.000 2.707 234 R HA 0.375 4.720 4.340 0.008 0.000 0.272 234 R C -1.661 174.589 176.300 -0.084 0.000 1.011 234 R CA -0.693 55.349 56.100 -0.096 0.000 0.893 234 R CB 1.769 31.785 30.300 -0.473 0.000 1.233 234 R HN -0.042 nan 8.270 nan 0.000 0.464 235 D N 1.569 121.841 120.400 -0.215 0.000 2.192 235 D HA 0.378 5.023 4.640 0.008 0.000 0.246 235 D C -0.809 175.264 176.300 -0.378 0.000 1.042 235 D CA 0.026 53.952 54.000 -0.124 0.000 0.847 235 D CB 1.378 42.142 40.800 -0.060 0.000 1.186 235 D HN 0.138 nan 8.370 nan 0.000 0.461 236 F N 1.051 120.999 119.950 -0.002 0.000 2.508 236 F HA 0.367 4.898 4.527 0.008 0.000 0.325 236 F C 0.691 176.498 175.800 0.011 0.000 1.090 236 F CA -0.668 57.326 58.000 -0.010 0.000 0.945 236 F CB 1.780 40.770 39.000 -0.018 0.000 1.156 236 F HN 0.198 nan 8.300 nan 0.000 0.463 237 Q N 0.368 120.272 119.800 0.174 0.000 2.648 237 Q HA 0.354 4.699 4.340 0.008 0.000 0.300 237 Q C -1.472 174.626 176.000 0.163 0.000 0.954 237 Q CA -1.289 54.598 55.803 0.139 0.000 0.757 237 Q CB 1.791 30.582 28.738 0.088 0.000 1.482 237 Q HN 0.631 nan 8.270 nan 0.000 0.437 238 Q N 1.027 120.950 119.800 0.205 0.000 2.337 238 Q HA 0.193 4.538 4.340 0.008 0.000 0.270 238 Q C -0.483 175.597 176.000 0.133 0.000 1.002 238 Q CA -0.170 55.787 55.803 0.256 0.000 0.888 238 Q CB 0.490 29.390 28.738 0.269 0.000 1.222 238 Q HN 0.602 nan 8.270 nan 0.000 0.400 239 I N 6.548 127.175 120.570 0.094 0.000 2.826 239 I HA -0.075 4.100 4.170 0.008 0.000 0.295 239 I C -1.962 174.177 176.117 0.036 0.000 1.213 239 I CA -1.308 60.017 61.300 0.041 0.000 1.436 239 I CB 0.103 38.092 38.000 -0.018 0.000 1.348 239 I HN 0.468 nan 8.210 nan 0.000 0.570 240 P HA 0.240 nan 4.420 nan 0.000 0.271 240 P C -0.911 176.385 177.300 -0.007 0.000 1.233 240 P CA 0.144 63.252 63.100 0.013 0.000 0.764 240 P CB 0.464 32.159 31.700 -0.009 0.000 0.825 241 L N 2.439 123.672 121.223 0.016 0.000 2.365 241 L HA 0.638 4.983 4.340 0.008 0.000 0.273 241 L C 0.306 177.181 176.870 0.007 0.000 1.000 241 L CA -1.157 53.688 54.840 0.009 0.000 0.819 241 L CB 2.118 44.254 42.059 0.127 0.000 1.284 241 L HN 0.241 nan 8.230 nan 0.000 0.418 242 A N 3.126 125.908 122.820 -0.062 0.000 2.666 242 A HA 0.766 5.091 4.320 0.008 0.000 0.312 242 A C 0.023 177.648 177.584 0.068 0.000 1.471 242 A CA 0.096 52.144 52.037 0.018 0.000 1.134 242 A CB -0.298 18.663 19.000 -0.065 0.000 1.129 242 A HN 0.801 nan 8.150 nan 0.000 0.539 243 A N 1.800 124.629 122.820 0.015 0.000 2.597 243 A HA 0.764 5.089 4.320 0.008 0.000 0.292 243 A C -0.530 176.956 177.584 -0.164 0.000 1.057 243 A CA -0.471 51.478 52.037 -0.146 0.000 0.674 243 A CB 0.828 19.579 19.000 -0.415 0.000 1.278 243 A HN 0.645 nan 8.150 nan 0.000 0.416 244 T N 1.297 115.717 114.554 -0.224 0.000 2.890 244 T HA 0.460 4.815 4.350 0.008 0.000 0.295 244 T C -0.135 174.410 174.700 -0.258 0.000 0.993 244 T CA -0.402 61.592 62.100 -0.176 0.000 0.979 244 T CB 1.130 69.953 68.868 -0.075 0.000 0.967 244 T HN 0.740 nan 8.240 nan 0.000 0.441 245 R N 2.403 122.733 120.500 -0.282 0.000 2.442 245 R HA 0.233 4.578 4.340 0.008 0.000 0.291 245 R C 0.859 177.070 176.300 -0.149 0.000 1.069 245 R CA -0.233 55.690 56.100 -0.294 0.000 1.022 245 R CB 0.381 30.478 30.300 -0.338 0.000 0.976 245 R HN 0.398 nan 8.270 nan 0.000 0.443 246 R N 1.179 121.643 120.500 -0.060 0.000 2.250 246 R HA 0.140 4.485 4.340 0.008 0.000 0.194 246 R C 0.178 176.470 176.300 -0.012 0.000 0.927 246 R CA 0.673 56.777 56.100 0.007 0.000 1.052 246 R CB 0.391 30.770 30.300 0.130 0.000 1.055 246 R HN 0.779 nan 8.270 nan 0.000 0.537 247 S N -1.467 114.227 115.700 -0.011 0.000 2.661 247 S HA 0.377 4.852 4.470 0.008 0.000 0.268 247 S C -2.624 171.937 174.600 -0.064 0.000 1.162 247 S CA -1.017 57.164 58.200 -0.031 0.000 0.817 247 S CB 2.068 65.272 63.200 0.005 0.000 1.141 247 S HN -0.275 nan 8.310 nan 0.000 0.477 248 P HA 0.060 nan 4.420 nan 0.000 0.225 248 P C 0.940 178.203 177.300 -0.062 0.000 1.148 248 P CA 1.557 64.606 63.100 -0.086 0.000 0.779 248 P CB -0.185 31.480 31.700 -0.057 0.000 0.780 249 T N -6.708 107.843 114.554 -0.005 0.000 3.091 249 T HA 0.292 4.647 4.350 0.008 0.000 0.277 249 T C -0.225 174.526 174.700 0.085 0.000 0.996 249 T CA -0.320 61.799 62.100 0.032 0.000 0.897 249 T CB -0.537 68.369 68.868 0.063 0.000 1.109 249 T HN -0.128 nan 8.240 nan 0.000 0.534 250 F N 1.678 121.562 119.950 -0.109 0.000 2.562 250 F HA 0.658 5.190 4.527 0.009 0.000 0.319 250 F C -1.493 174.175 175.800 -0.220 0.000 1.154 250 F CA -1.067 56.864 58.000 -0.115 0.000 0.931 250 F CB 1.915 40.863 39.000 -0.085 0.000 1.198 250 F HN -0.117 nan 8.300 nan 0.000 0.444 251 V N 5.174 124.583 119.914 -0.840 0.000 2.448 251 V HA 0.279 4.404 4.120 0.008 0.000 0.295 251 V C -0.352 175.131 176.094 -1.019 0.000 1.025 251 V CA -0.870 60.905 62.300 -0.876 0.000 0.859 251 V CB 1.708 32.828 31.823 -1.171 0.000 0.988 251 V HN 0.718 nan 8.190 nan 0.000 0.431 252 E N 4.414 124.301 120.200 -0.521 0.000 1.941 252 E HA 0.143 4.498 4.350 0.008 0.000 0.275 252 E C -1.037 175.376 176.600 -0.312 0.000 1.113 252 E CA -0.548 55.715 56.400 -0.228 0.000 0.878 252 E CB 0.386 30.118 29.700 0.054 0.000 1.070 252 E HN 0.630 nan 8.360 nan 0.000 0.399 253 W N 2.860 124.058 121.300 -0.170 0.000 2.210 253 W HA 0.077 4.743 4.660 0.011 0.000 0.330 253 W C 0.735 177.295 176.519 0.069 0.000 1.334 253 W CA -0.493 56.746 57.345 -0.177 0.000 1.227 253 W CB 0.723 29.852 29.460 -0.552 0.000 1.178 253 W HN 0.308 nan 8.180 nan 0.000 0.560 254 S N 1.689 117.619 115.700 0.383 0.000 2.624 254 S HA 0.618 5.093 4.470 0.008 0.000 0.263 254 S C 0.161 175.209 174.600 0.748 0.000 1.287 254 S CA -0.494 57.998 58.200 0.485 0.000 0.990 254 S CB 1.162 64.660 63.200 0.497 0.000 0.950 254 S HN 0.528 nan 8.310 nan 0.000 0.561 255 S N -0.634 115.450 115.700 0.641 0.000 2.683 255 S HA 0.655 5.130 4.470 0.008 0.000 0.269 255 S C 0.705 175.510 174.600 0.342 0.000 1.165 255 S CA -0.329 58.177 58.200 0.510 0.000 0.840 255 S CB 0.474 63.894 63.200 0.366 0.000 1.169 255 S HN 0.746 nan 8.310 nan 0.000 0.490 256 A N 1.691 124.610 122.820 0.166 0.000 1.927 256 A HA -0.204 4.121 4.320 0.008 0.000 0.220 256 A C 2.009 179.649 177.584 0.093 0.000 1.185 256 A CA 2.237 54.330 52.037 0.093 0.000 0.639 256 A CB -1.616 17.407 19.000 0.039 0.000 0.820 256 A HN 0.888 nan 8.150 nan 0.000 0.451 257 N N -0.646 118.115 118.700 0.101 0.000 2.192 257 N HA -0.167 4.578 4.740 0.008 0.000 0.188 257 N C 1.531 177.072 175.510 0.052 0.000 1.013 257 N CA 2.033 55.117 53.050 0.056 0.000 0.863 257 N CB -0.222 38.309 38.487 0.073 0.000 0.990 257 N HN 0.487 nan 8.380 nan 0.000 0.430 258 T N 0.502 115.136 114.554 0.134 0.000 2.746 258 T HA -0.064 4.291 4.350 0.008 0.000 0.267 258 T C 2.083 176.821 174.700 0.063 0.000 1.039 258 T CA 1.183 63.367 62.100 0.140 0.000 1.142 258 T CB -0.242 68.788 68.868 0.270 0.000 0.866 258 T HN 0.056 nan 8.240 nan 0.000 0.444 259 V N -0.368 119.570 119.914 0.040 0.000 2.307 259 V HA 0.095 4.220 4.120 0.008 0.000 0.245 259 V C 0.576 176.636 176.094 -0.055 0.000 1.045 259 V CA 1.095 63.337 62.300 -0.096 0.000 1.024 259 V CB -0.366 31.357 31.823 -0.168 0.000 0.651 259 V HN 0.482 nan 8.190 nan 0.000 0.449 260 F N 0.716 120.547 119.950 -0.200 0.000 2.605 260 F HA 0.378 4.910 4.527 0.008 0.000 0.320 260 F C 0.192 175.878 175.800 -0.188 0.000 1.159 260 F CA -1.584 56.271 58.000 -0.242 0.000 0.999 260 F CB 1.413 40.220 39.000 -0.322 0.000 1.258 260 F HN 0.165 nan 8.300 nan 0.000 0.464 261 D N 4.741 124.703 120.400 -0.731 0.000 2.378 261 D HA -0.044 4.601 4.640 0.008 0.000 0.227 261 D C 1.199 177.223 176.300 -0.461 0.000 1.012 261 D CA 1.055 54.764 54.000 -0.484 0.000 0.905 261 D CB -0.050 40.520 40.800 -0.382 0.000 0.895 261 D HN 0.680 nan 8.370 nan 0.000 0.532 262 L N -2.022 118.779 121.223 -0.703 0.000 4.625 262 L HA -0.250 4.095 4.340 0.008 0.000 0.428 262 L C -0.196 176.610 176.870 -0.108 0.000 1.129 262 L CA 0.518 55.192 54.840 -0.277 0.000 0.978 262 L CB -1.298 40.752 42.059 -0.015 0.000 2.043 262 L HN 0.244 nan 8.230 nan 0.000 0.847 263 Q N 0.946 120.588 119.800 -0.263 0.000 2.332 263 Q HA 0.223 4.568 4.340 0.008 0.000 0.263 263 Q C 0.363 176.399 176.000 0.060 0.000 0.979 263 Q CA -0.053 55.691 55.803 -0.098 0.000 0.885 263 Q CB 0.611 29.261 28.738 -0.147 0.000 1.218 263 Q HN 0.134 nan 8.270 nan 0.000 0.405 264 N N 2.031 120.775 118.700 0.073 0.000 2.454 264 N HA 0.090 4.835 4.740 0.008 0.000 0.254 264 N C -0.277 175.286 175.510 0.087 0.000 1.228 264 N CA 0.364 53.467 53.050 0.088 0.000 0.900 264 N CB 0.608 39.064 38.487 -0.052 0.000 1.089 264 N HN 0.241 nan 8.380 nan 0.000 0.449 265 R N 1.508 122.090 120.500 0.137 0.000 2.750 265 R HA 0.499 4.844 4.340 0.008 0.000 0.281 265 R C -2.460 173.891 176.300 0.085 0.000 0.972 265 R CA -1.619 54.550 56.100 0.116 0.000 0.912 265 R CB 1.702 32.101 30.300 0.165 0.000 1.187 265 R HN 0.340 nan 8.270 nan 0.000 0.464 266 P HA 0.142 nan 4.420 nan 0.000 0.275 266 P C -1.286 176.063 177.300 0.082 0.000 1.228 266 P CA -0.315 62.866 63.100 0.134 0.000 0.786 266 P CB 0.716 32.543 31.700 0.211 0.000 0.927 267 N N -1.356 117.381 118.700 0.062 0.000 2.972 267 N HA 0.250 4.995 4.740 0.008 0.000 0.262 267 N C 0.431 175.954 175.510 0.022 0.000 1.478 267 N CA -0.734 52.334 53.050 0.030 0.000 0.841 267 N CB -0.489 38.003 38.487 0.008 0.000 1.512 267 N HN 0.015 nan 8.380 nan 0.000 0.548 268 T N -0.684 113.875 114.554 0.007 0.000 2.720 268 T HA -0.109 4.246 4.350 0.008 0.000 0.268 268 T C 0.287 174.987 174.700 -0.001 0.000 1.037 268 T CA 1.778 63.879 62.100 0.002 0.000 1.144 268 T CB -0.472 68.394 68.868 -0.005 0.000 0.864 268 T HN 0.538 nan 8.240 nan 0.000 0.444 269 D N 1.098 121.493 120.400 -0.008 0.000 2.277 269 D HA 0.186 4.831 4.640 0.008 0.000 0.208 269 D C 0.833 177.132 176.300 -0.002 0.000 0.962 269 D CA 0.433 54.426 54.000 -0.012 0.000 0.865 269 D CB 0.090 40.872 40.800 -0.030 0.000 0.939 269 D HN 0.411 nan 8.370 nan 0.000 0.510 270 A N 0.957 123.784 122.820 0.012 0.000 3.266 270 A HA 0.376 4.701 4.320 0.008 0.000 0.310 270 A C -2.001 175.624 177.584 0.067 0.000 1.066 270 A CA -0.899 51.160 52.037 0.036 0.000 0.839 270 A CB 0.988 20.010 19.000 0.036 0.000 1.192 270 A HN -0.167 nan 8.150 nan 0.000 0.496 271 P HA -0.077 nan 4.420 nan 0.000 0.223 271 P C 0.617 178.000 177.300 0.138 0.000 1.151 271 P CA 1.205 64.349 63.100 0.074 0.000 0.787 271 P CB 0.420 32.135 31.700 0.024 0.000 0.788 272 E N -0.326 119.963 120.200 0.148 0.000 2.476 272 E HA 0.121 4.476 4.350 0.008 0.000 0.196 272 E C 0.189 176.997 176.600 0.347 0.000 1.029 272 E CA 0.115 56.667 56.400 0.254 0.000 0.896 272 E CB 0.395 30.168 29.700 0.120 0.000 1.012 272 E HN 0.497 nan 8.360 nan 0.000 0.475 273 E N 1.167 121.506 120.200 0.231 0.000 2.248 273 E HA 0.421 4.776 4.350 0.008 0.000 0.272 273 E C -0.200 176.465 176.600 0.108 0.000 1.008 273 E CA -0.434 56.060 56.400 0.157 0.000 0.856 273 E CB 1.364 31.147 29.700 0.137 0.000 1.120 273 E HN -0.142 nan 8.360 nan 0.000 0.397 274 R N 2.106 122.627 120.500 0.034 0.000 2.435 274 R HA 0.442 4.787 4.340 0.008 0.000 0.308 274 R C -1.467 174.912 176.300 0.131 0.000 0.975 274 R CA -0.554 55.532 56.100 -0.024 0.000 0.867 274 R CB 0.993 31.149 30.300 -0.239 0.000 1.171 274 R HN 0.414 nan 8.270 nan 0.000 0.470 275 F N 2.194 122.130 119.950 -0.023 0.000 2.604 275 F HA 0.428 4.959 4.527 0.008 0.000 0.316 275 F C -1.666 174.067 175.800 -0.111 0.000 1.136 275 F CA -0.647 57.335 58.000 -0.030 0.000 0.989 275 F CB 2.011 41.073 39.000 0.103 0.000 1.258 275 F HN 0.394 nan 8.300 nan 0.000 0.451 276 N N 4.756 122.800 118.700 -1.093 0.000 2.295 276 N HA 0.581 5.326 4.740 0.008 0.000 0.293 276 N C -2.034 172.492 175.510 -1.640 0.000 1.040 276 N CA -0.629 51.736 53.050 -1.142 0.000 0.840 276 N CB 2.321 40.301 38.487 -0.845 0.000 1.468 276 N HN 0.574 nan 8.380 nan 0.000 0.478 277 L N 2.773 123.249 121.223 -1.245 0.000 2.295 277 L HA 0.636 4.981 4.340 0.008 0.000 0.285 277 L C -1.648 174.691 176.870 -0.886 0.000 1.035 277 L CA -0.266 54.088 54.840 -0.811 0.000 0.806 277 L CB 0.152 42.083 42.059 -0.215 0.000 1.214 277 L HN 0.458 nan 8.230 nan 0.000 0.426 278 F N 6.486 126.202 119.950 -0.390 0.000 2.359 278 F HA 0.546 5.078 4.527 0.008 0.000 0.369 278 F C -2.134 173.622 175.800 -0.073 0.000 1.084 278 F CA -1.973 55.890 58.000 -0.228 0.000 1.096 278 F CB 0.750 39.597 39.000 -0.255 0.000 1.335 278 F HN 0.426 nan 8.300 nan 0.000 0.457 279 P HA 0.327 nan 4.420 nan 0.000 0.277 279 P C -0.125 177.236 177.300 0.102 0.000 1.271 279 P CA -0.337 62.810 63.100 0.079 0.000 0.795 279 P CB 0.967 32.691 31.700 0.039 0.000 1.101 280 A N -1.196 121.666 122.820 0.070 0.000 2.687 280 A HA -0.090 4.235 4.320 0.008 0.000 0.299 280 A C -0.103 177.513 177.584 0.054 0.000 1.497 280 A CA 0.746 52.816 52.037 0.055 0.000 0.751 280 A CB -2.393 16.638 19.000 0.051 0.000 1.048 280 A HN 0.246 nan 8.150 nan 0.000 0.464 281 V N -0.252 119.707 119.914 0.075 0.000 2.447 281 V HA 0.641 4.766 4.120 0.008 0.000 0.292 281 V C 0.565 176.671 176.094 0.019 0.000 1.021 281 V CA -0.382 61.962 62.300 0.074 0.000 0.850 281 V CB 1.453 33.402 31.823 0.209 0.000 1.005 281 V HN 1.530 nan 8.190 nan 0.000 0.426 282 A N 4.095 126.905 122.820 -0.016 0.000 2.404 282 A HA 0.439 4.764 4.320 0.008 0.000 0.273 282 A C 0.215 177.782 177.584 -0.029 0.000 1.144 282 A CA -0.081 51.930 52.037 -0.042 0.000 0.806 282 A CB -0.144 18.877 19.000 0.034 0.000 1.080 282 A HN 0.869 nan 8.150 nan 0.000 0.509 283 C N 2.751 122.008 119.300 -0.073 0.000 2.435 283 C HA 0.374 4.838 4.460 0.008 0.000 0.375 283 C C 1.367 176.322 174.990 -0.058 0.000 1.281 283 C CA -0.293 58.672 59.018 -0.088 0.000 1.963 283 C CB -0.114 27.564 27.740 -0.103 0.000 2.490 283 C HN 1.012 nan 8.230 nan 0.000 0.557 284 E N 0.650 120.832 120.200 -0.031 0.000 2.332 284 E HA 0.138 4.493 4.350 0.008 0.000 0.202 284 E C 0.568 177.139 176.600 -0.048 0.000 0.877 284 E CA 0.200 56.584 56.400 -0.026 0.000 0.979 284 E CB 0.675 30.375 29.700 0.001 0.000 0.969 284 E HN 0.614 nan 8.360 nan 0.000 0.495 285 R N 0.630 121.107 120.500 -0.039 0.000 2.629 285 R HA 0.264 4.609 4.340 0.008 0.000 0.266 285 R C -1.650 174.616 176.300 -0.057 0.000 1.051 285 R CA -0.544 55.513 56.100 -0.071 0.000 0.895 285 R CB 1.943 32.159 30.300 -0.140 0.000 1.246 285 R HN -0.041 nan 8.270 nan 0.000 0.459 286 V N 0.897 120.763 119.914 -0.080 0.000 2.483 286 V HA 0.640 4.765 4.120 0.008 0.000 0.295 286 V C -0.386 175.645 176.094 -0.105 0.000 1.035 286 V CA -0.772 61.454 62.300 -0.123 0.000 0.896 286 V CB 1.704 33.407 31.823 -0.201 0.000 0.986 286 V HN 0.419 nan 8.190 nan 0.000 0.447 287 V N 5.734 125.585 119.914 -0.105 0.000 2.385 287 V HA 0.424 4.548 4.120 0.008 0.000 0.269 287 V C 0.710 176.775 176.094 -0.049 0.000 1.043 287 V CA -0.385 61.868 62.300 -0.077 0.000 0.906 287 V CB 0.585 32.398 31.823 -0.015 0.000 0.995 287 V HN 0.934 nan 8.190 nan 0.000 0.467 288 R N 3.929 124.412 120.500 -0.029 0.000 2.441 288 R HA 0.266 4.611 4.340 0.008 0.000 0.284 288 R C 0.442 176.767 176.300 0.040 0.000 1.070 288 R CA -0.590 55.551 56.100 0.068 0.000 1.047 288 R CB 0.590 30.910 30.300 0.032 0.000 1.016 288 R HN 0.869 nan 8.270 nan 0.000 0.477 289 N N 1.602 120.343 118.700 0.067 0.000 2.340 289 N HA -0.061 4.684 4.740 0.008 0.000 0.236 289 N C 0.434 175.936 175.510 -0.014 0.000 1.296 289 N CA 0.324 53.385 53.050 0.019 0.000 0.896 289 N CB 0.551 39.050 38.487 0.019 0.000 1.127 289 N HN 0.604 nan 8.380 nan 0.000 0.442 290 A N 0.718 123.523 122.820 -0.025 0.000 2.066 290 A HA 0.006 4.331 4.320 0.008 0.000 0.218 290 A C 2.130 179.680 177.584 -0.056 0.000 1.157 290 A CA 0.415 52.430 52.037 -0.037 0.000 0.670 290 A CB -0.621 18.362 19.000 -0.030 0.000 0.804 290 A HN 0.696 nan 8.150 nan 0.000 0.453 291 L N -0.898 120.283 121.223 -0.070 0.000 2.376 291 L HA -0.089 4.256 4.340 0.008 0.000 0.219 291 L C -0.019 176.742 176.870 -0.181 0.000 1.133 291 L CA 0.393 55.171 54.840 -0.103 0.000 0.816 291 L CB -0.363 41.636 42.059 -0.099 0.000 0.933 291 L HN 0.471 nan 8.230 nan 0.000 0.449 292 N N 0.282 118.853 118.700 -0.214 0.000 2.725 292 N HA -0.180 4.565 4.740 0.008 0.000 0.251 292 N C 0.818 175.692 175.510 -1.061 0.000 1.031 292 N CA 1.009 53.785 53.050 -0.458 0.000 0.720 292 N CB -1.264 37.093 38.487 -0.216 0.000 0.930 292 N HN 0.531 nan 8.380 nan 0.000 0.543 293 S N -2.309 112.951 115.700 -0.733 0.000 2.632 293 S HA 0.264 4.739 4.470 0.008 0.000 0.237 293 S C 0.222 174.626 174.600 -0.328 0.000 1.037 293 S CA -0.258 57.578 58.200 -0.607 0.000 1.009 293 S CB 1.486 64.535 63.200 -0.251 0.000 0.974 293 S HN 0.284 nan 8.310 nan 0.000 0.544 294 E N 0.587 120.723 120.200 -0.108 0.000 2.392 294 E HA 0.401 4.756 4.350 0.008 0.000 0.279 294 E C -1.533 175.274 176.600 0.345 0.000 0.964 294 E CA -0.808 55.725 56.400 0.222 0.000 0.777 294 E CB 1.680 31.468 29.700 0.147 0.000 1.249 294 E HN 0.103 nan 8.360 nan 0.000 0.449 295 I N 2.484 123.207 120.570 0.255 0.000 2.365 295 I HA 0.085 4.260 4.170 0.008 0.000 0.291 295 I C 1.088 177.164 176.117 -0.067 0.000 1.004 295 I CA 0.120 61.392 61.300 -0.048 0.000 1.311 295 I CB 1.011 38.740 38.000 -0.451 0.000 1.401 295 I HN 0.590 nan 8.210 nan 0.000 0.491 296 E N 3.107 123.269 120.200 -0.064 0.000 2.364 296 E HA 0.072 4.427 4.350 0.008 0.000 0.196 296 E C 0.339 177.000 176.600 0.102 0.000 0.990 296 E CA 0.348 56.783 56.400 0.058 0.000 0.886 296 E CB 0.560 30.297 29.700 0.062 0.000 0.866 296 E HN 0.716 nan 8.360 nan 0.000 0.493 297 S N -0.442 115.245 115.700 -0.021 0.000 2.611 297 S HA 0.477 4.952 4.470 0.008 0.000 0.270 297 S C -1.695 172.919 174.600 0.024 0.000 1.131 297 S CA -1.071 57.193 58.200 0.107 0.000 0.826 297 S CB 1.109 64.382 63.200 0.122 0.000 1.095 297 S HN 0.012 nan 8.310 nan 0.000 0.461 298 L N 2.139 123.443 121.223 0.136 0.000 2.349 298 L HA 0.582 4.927 4.340 0.008 0.000 0.278 298 L C -0.901 175.991 176.870 0.036 0.000 0.996 298 L CA -0.148 54.739 54.840 0.077 0.000 0.825 298 L CB 1.245 43.368 42.059 0.108 0.000 1.243 298 L HN 0.914 nan 8.230 nan 0.000 0.412 299 H N 6.488 125.511 119.070 -0.078 0.000 2.562 299 H HA 0.496 5.057 4.556 0.008 0.000 0.314 299 H C -0.387 174.885 175.328 -0.094 0.000 1.079 299 H CA -0.233 55.776 56.048 -0.066 0.000 1.349 299 H CB 1.389 31.119 29.762 -0.054 0.000 1.432 299 H HN 0.709 nan 8.280 nan 0.000 0.479 300 I N 0.143 120.696 120.570 -0.028 0.000 2.892 300 I HA 0.392 4.567 4.170 0.008 0.000 0.306 300 I C -0.846 175.335 176.117 0.106 0.000 1.078 300 I CA -0.955 60.317 61.300 -0.046 0.000 1.032 300 I CB 3.176 41.024 38.000 -0.253 0.000 1.229 300 I HN 0.559 nan 8.210 nan 0.000 0.435 301 H N 3.148 122.217 119.070 -0.002 0.000 2.800 301 H HA 0.231 4.791 4.556 0.008 0.000 0.322 301 H C -1.489 173.882 175.328 0.072 0.000 0.979 301 H CA -0.651 55.415 56.048 0.031 0.000 1.277 301 H CB 1.496 31.274 29.762 0.026 0.000 1.484 301 H HN 0.770 nan 8.280 nan 0.000 0.512 302 D N 5.578 126.002 120.400 0.040 0.000 2.338 302 D HA -0.001 4.644 4.640 0.008 0.000 0.255 302 D C 0.987 177.141 176.300 -0.244 0.000 1.237 302 D CA -0.088 53.906 54.000 -0.011 0.000 0.883 302 D CB 0.927 41.845 40.800 0.195 0.000 1.087 302 D HN 0.670 nan 8.370 nan 0.000 0.485 303 L N 4.144 125.230 121.223 -0.230 0.000 2.395 303 L HA -0.082 4.263 4.340 0.008 0.000 0.218 303 L C 1.844 178.655 176.870 -0.099 0.000 1.130 303 L CA 0.134 54.819 54.840 -0.258 0.000 0.826 303 L CB -0.003 42.002 42.059 -0.092 0.000 0.941 303 L HN 0.520 nan 8.230 nan 0.000 0.451 304 I N -0.738 119.813 120.570 -0.032 0.000 2.429 304 I HA -0.121 4.054 4.170 0.008 0.000 0.247 304 I C 2.692 178.820 176.117 0.019 0.000 1.099 304 I CA 1.497 62.803 61.300 0.009 0.000 1.422 304 I CB -0.965 37.054 38.000 0.032 0.000 1.112 304 I HN 0.249 nan 8.210 nan 0.000 0.430 305 S N 0.296 116.018 115.700 0.036 0.000 2.461 305 S HA 0.101 4.576 4.470 0.008 0.000 0.228 305 S C 1.842 176.468 174.600 0.043 0.000 1.005 305 S CA 0.881 59.112 58.200 0.052 0.000 0.942 305 S CB 0.092 63.349 63.200 0.095 0.000 0.776 305 S HN 0.573 nan 8.310 nan 0.000 0.514 306 G N 0.919 109.735 108.800 0.027 0.000 2.241 306 G HA2 -0.207 3.758 3.960 0.008 0.000 0.244 306 G HA3 -0.207 3.758 3.960 0.008 0.000 0.244 306 G C -0.308 174.691 174.900 0.164 0.000 0.998 306 G CA 0.191 45.359 45.100 0.114 0.000 0.621 306 G HN 0.566 nan 8.290 nan 0.000 0.519 307 D N 0.706 121.136 120.400 0.050 0.000 2.339 307 D HA 0.535 5.180 4.640 0.008 0.000 0.245 307 D C 0.871 177.077 176.300 -0.157 0.000 1.115 307 D CA 0.071 53.990 54.000 -0.135 0.000 0.917 307 D CB 0.623 41.228 40.800 -0.326 0.000 1.192 307 D HN 0.383 nan 8.370 nan 0.000 0.428 308 R N 1.069 121.355 120.500 -0.356 0.000 2.514 308 R HA 0.569 4.914 4.340 0.008 0.000 0.301 308 R C -0.672 175.282 176.300 -0.577 0.000 0.962 308 R CA -0.606 55.331 56.100 -0.273 0.000 0.882 308 R CB 1.141 31.364 30.300 -0.128 0.000 1.143 308 R HN 0.291 nan 8.270 nan 0.000 0.452 309 F N -0.200 119.698 119.950 -0.088 0.000 2.640 309 F HA 0.386 4.917 4.527 0.008 0.000 0.324 309 F C 0.192 175.826 175.800 -0.278 0.000 1.077 309 F CA -0.955 56.955 58.000 -0.150 0.000 0.965 309 F CB 1.749 40.672 39.000 -0.128 0.000 1.351 309 F HN 0.262 nan 8.300 nan 0.000 0.487 310 E N 1.775 121.932 120.200 -0.072 0.000 2.158 310 E HA 0.448 4.803 4.350 0.008 0.000 0.271 310 E C -1.423 175.138 176.600 -0.064 0.000 0.911 310 E CA -0.538 55.707 56.400 -0.257 0.000 0.767 310 E CB 1.354 30.888 29.700 -0.277 0.000 1.120 310 E HN 0.326 nan 8.360 nan 0.000 0.405 311 I N 3.608 124.154 120.570 -0.041 0.000 2.404 311 I HA 0.304 4.479 4.170 0.008 0.000 0.293 311 I C -0.034 176.178 176.117 0.158 0.000 0.992 311 I CA -0.840 60.494 61.300 0.056 0.000 1.149 311 I CB 1.398 39.412 38.000 0.023 0.000 1.315 311 I HN 0.367 nan 8.210 nan 0.000 0.446 312 K N 4.888 125.384 120.400 0.160 0.000 2.182 312 K HA 0.836 5.161 4.320 0.008 0.000 0.262 312 K C -1.102 175.570 176.600 0.120 0.000 0.957 312 K CA -0.304 56.094 56.287 0.185 0.000 0.842 312 K CB 1.780 34.348 32.500 0.113 0.000 1.099 312 K HN 0.792 nan 8.250 nan 0.000 0.438 313 A N 2.704 125.519 122.820 -0.008 0.000 2.569 313 A HA 0.419 4.744 4.320 0.008 0.000 0.290 313 A C -0.513 176.942 177.584 -0.216 0.000 1.136 313 A CA -0.660 51.234 52.037 -0.237 0.000 0.710 313 A CB 1.059 19.723 19.000 -0.561 0.000 1.303 313 A HN 0.767 nan 8.150 nan 0.000 0.413 314 D N -0.594 119.721 120.400 -0.141 0.000 2.194 314 D HA 0.145 4.790 4.640 0.008 0.000 0.204 314 D C 0.199 176.388 176.300 -0.185 0.000 0.964 314 D CA 1.552 55.536 54.000 -0.027 0.000 0.846 314 D CB 0.300 41.146 40.800 0.076 0.000 0.962 314 D HN 0.210 nan 8.370 nan 0.000 0.490 315 V N 0.732 120.391 119.914 -0.425 0.000 2.686 315 V HA 0.294 4.419 4.120 0.008 0.000 0.306 315 V C -1.309 174.499 176.094 -0.476 0.000 1.065 315 V CA -0.925 61.130 62.300 -0.409 0.000 0.894 315 V CB 1.866 33.353 31.823 -0.560 0.000 1.004 315 V HN -0.085 nan 8.190 nan 0.000 0.424 316 Y N 2.764 123.048 120.300 -0.027 0.000 2.364 316 Y HA 0.757 5.311 4.550 0.008 0.000 0.340 316 Y C -0.153 175.712 175.900 -0.058 0.000 0.975 316 Y CA -1.052 57.023 58.100 -0.043 0.000 1.089 316 Y CB 2.208 40.644 38.460 -0.040 0.000 1.192 316 Y HN 0.343 nan 8.280 nan 0.000 0.454 317 V N 5.288 125.178 119.914 -0.039 0.000 2.525 317 V HA 0.385 4.510 4.120 0.008 0.000 0.299 317 V C -0.654 175.306 176.094 -0.224 0.000 1.034 317 V CA -0.904 61.249 62.300 -0.244 0.000 0.863 317 V CB 1.713 33.186 31.823 -0.583 0.000 0.999 317 V HN 0.598 nan 8.190 nan 0.000 0.423 318 L N 5.034 126.123 121.223 -0.224 0.000 2.265 318 L HA 0.595 4.940 4.340 0.008 0.000 0.289 318 L C 0.410 177.173 176.870 -0.179 0.000 1.033 318 L CA -0.195 54.535 54.840 -0.184 0.000 0.814 318 L CB 1.634 43.568 42.059 -0.209 0.000 1.203 318 L HN 0.808 nan 8.230 nan 0.000 0.423 319 T N -1.649 112.836 114.554 -0.115 0.000 3.624 319 T HA 0.357 4.712 4.350 0.008 0.000 0.244 319 T C 0.649 175.353 174.700 0.007 0.000 1.063 319 T CA -0.088 61.984 62.100 -0.046 0.000 1.252 319 T CB 0.969 69.807 68.868 -0.051 0.000 1.021 319 T HN 0.553 nan 8.240 nan 0.000 0.590 320 A N 0.788 123.620 122.820 0.021 0.000 2.307 320 A HA 0.764 5.089 4.320 0.008 0.000 0.218 320 A C 1.401 179.061 177.584 0.128 0.000 1.228 320 A CA 0.122 52.195 52.037 0.060 0.000 0.857 320 A CB -0.723 18.306 19.000 0.048 0.000 0.897 320 A HN 1.732 nan 8.150 nan 0.000 0.495 321 G N -2.576 106.300 108.800 0.127 0.000 2.662 321 G HA2 0.269 4.234 3.960 0.008 0.000 0.686 321 G HA3 0.269 4.234 3.960 0.008 0.000 0.686 321 G C 0.759 175.763 174.900 0.173 0.000 1.271 321 G CA -0.266 44.922 45.100 0.146 0.000 0.816 321 G HN 1.290 nan 8.290 nan 0.000 0.608 322 A N -0.296 122.614 122.820 0.149 0.000 1.940 322 A HA 0.139 4.464 4.320 0.008 0.000 0.219 322 A C 2.648 180.314 177.584 0.137 0.000 1.176 322 A CA 3.433 55.549 52.037 0.132 0.000 0.631 322 A CB -0.408 18.642 19.000 0.085 0.000 0.814 322 A HN 1.622 nan 8.150 nan 0.000 0.446 323 V N -1.098 118.856 119.914 0.067 0.000 2.273 323 V HA -0.187 3.938 4.120 0.008 0.000 0.242 323 V C 2.224 178.279 176.094 -0.066 0.000 1.035 323 V CA 2.121 64.402 62.300 -0.032 0.000 1.013 323 V CB -1.103 30.589 31.823 -0.219 0.000 0.652 323 V HN 0.730 nan 8.190 nan 0.000 0.452 324 H N -0.001 119.136 119.070 0.112 0.000 2.495 324 H HA -0.051 4.510 4.556 0.008 0.000 0.287 324 H C 2.279 177.597 175.328 -0.016 0.000 1.033 324 H CA 1.076 57.145 56.048 0.036 0.000 1.307 324 H CB 0.019 29.786 29.762 0.008 0.000 1.401 324 H HN 0.323 nan 8.280 nan 0.000 0.555 325 N N -0.158 118.606 118.700 0.106 0.000 2.069 325 N HA -0.125 4.620 4.740 0.008 0.000 0.191 325 N C 1.762 177.241 175.510 -0.053 0.000 1.031 325 N CA 1.860 54.904 53.050 -0.010 0.000 0.852 325 N CB -0.458 38.006 38.487 -0.039 0.000 1.018 325 N HN 0.341 nan 8.380 nan 0.000 0.423 326 T N 0.667 115.259 114.554 0.063 0.000 2.777 326 T HA -0.138 4.217 4.350 0.008 0.000 0.266 326 T C 1.830 176.395 174.700 -0.225 0.000 1.040 326 T CA 0.973 63.114 62.100 0.069 0.000 1.141 326 T CB -0.204 68.847 68.868 0.306 0.000 0.868 326 T HN 0.340 nan 8.240 nan 0.000 0.444 327 Q N 0.255 119.806 119.800 -0.415 0.000 2.061 327 Q HA -0.139 4.206 4.340 0.008 0.000 0.204 327 Q C 2.306 178.042 176.000 -0.440 0.000 0.984 327 Q CA 1.235 56.502 55.803 -0.892 0.000 0.846 327 Q CB -0.257 28.205 28.738 -0.460 0.000 0.902 327 Q HN 0.353 nan 8.270 nan 0.000 0.421 328 L N 0.623 121.713 121.223 -0.220 0.000 2.046 328 L HA -0.131 4.214 4.340 0.008 0.000 0.208 328 L C 2.054 178.835 176.870 -0.148 0.000 1.077 328 L CA 1.532 56.279 54.840 -0.156 0.000 0.747 328 L CB -0.555 41.434 42.059 -0.116 0.000 0.896 328 L HN 0.305 nan 8.230 nan 0.000 0.432 329 L N -1.987 119.128 121.223 -0.179 0.000 2.056 329 L HA -0.170 4.175 4.340 0.008 0.000 0.207 329 L C 2.387 179.285 176.870 0.046 0.000 1.078 329 L CA 0.812 55.570 54.840 -0.138 0.000 0.749 329 L CB -0.556 41.300 42.059 -0.338 0.000 0.901 329 L HN 0.067 nan 8.230 nan 0.000 0.433 330 V N -0.085 119.780 119.914 -0.083 0.000 2.427 330 V HA -0.256 3.869 4.120 0.008 0.000 0.248 330 V C 2.071 178.140 176.094 -0.041 0.000 1.051 330 V CA 1.912 64.192 62.300 -0.033 0.000 1.048 330 V CB -0.711 31.065 31.823 -0.078 0.000 0.666 330 V HN 0.485 nan 8.190 nan 0.000 0.456 331 N N 0.127 118.762 118.700 -0.108 0.000 2.520 331 N HA -0.092 4.653 4.740 0.008 0.000 0.185 331 N C 1.443 176.920 175.510 -0.055 0.000 1.068 331 N CA 1.042 54.045 53.050 -0.079 0.000 0.911 331 N CB -0.038 38.387 38.487 -0.103 0.000 0.961 331 N HN 0.409 nan 8.380 nan 0.000 0.446 332 S N -1.455 114.237 115.700 -0.013 0.000 2.557 332 S HA 0.342 4.816 4.470 0.008 0.000 0.223 332 S C 1.064 175.633 174.600 -0.052 0.000 0.969 332 S CA 0.164 58.362 58.200 -0.004 0.000 0.927 332 S CB 0.540 63.785 63.200 0.076 0.000 0.806 332 S HN 0.512 nan 8.310 nan 0.000 0.489 333 G N 1.149 109.926 108.800 -0.040 0.000 2.157 333 G HA2 -0.240 3.725 3.960 0.008 0.000 0.239 333 G HA3 -0.240 3.725 3.960 0.008 0.000 0.239 333 G C -0.069 174.740 174.900 -0.151 0.000 0.982 333 G CA -0.497 44.536 45.100 -0.111 0.000 0.650 333 G HN 0.429 nan 8.290 nan 0.000 0.527 334 F N 0.909 120.834 119.950 -0.042 0.000 2.371 334 F HA 0.532 5.064 4.527 0.008 0.000 0.329 334 F C 1.673 177.483 175.800 0.017 0.000 1.107 334 F CA 1.030 59.019 58.000 -0.019 0.000 1.137 334 F CB 0.922 39.884 39.000 -0.064 0.000 1.214 334 F HN 0.732 nan 8.300 nan 0.000 0.536 335 G N 1.890 110.836 108.800 0.243 0.000 2.596 335 G HA2 -0.308 3.657 3.960 0.008 0.000 0.295 335 G HA3 -0.308 3.657 3.960 0.008 0.000 0.295 335 G C -0.656 174.319 174.900 0.126 0.000 1.240 335 G CA 0.280 45.487 45.100 0.178 0.000 0.985 335 G HN 0.861 nan 8.290 nan 0.000 0.555 336 Q N -1.061 118.819 119.800 0.133 0.000 2.285 336 Q HA 0.626 4.971 4.340 0.008 0.000 0.269 336 Q C -0.897 175.185 176.000 0.137 0.000 1.030 336 Q CA -1.001 54.860 55.803 0.097 0.000 0.788 336 Q CB 1.692 30.465 28.738 0.059 0.000 1.266 336 Q HN 0.873 nan 8.270 nan 0.000 0.438 337 L N 3.700 124.992 121.223 0.116 0.000 2.397 337 L HA 0.728 5.073 4.340 0.008 0.000 0.271 337 L C 0.370 177.316 176.870 0.126 0.000 1.148 337 L CA 2.041 56.972 54.840 0.153 0.000 0.825 337 L CB 0.885 43.008 42.059 0.107 0.000 1.117 337 L HN 0.865 nan 8.230 nan 0.000 0.456 338 G N 3.584 112.510 108.800 0.209 0.000 2.710 338 G HA2 -0.200 3.764 3.960 0.008 0.000 0.668 338 G HA3 -0.200 3.764 3.960 0.008 0.000 0.668 338 G C -0.553 174.229 174.900 -0.196 0.000 1.320 338 G CA -0.318 44.853 45.100 0.119 0.000 0.860 338 G HN 0.899 nan 8.290 nan 0.000 0.538 339 R N 0.797 120.954 120.500 -0.572 0.000 2.502 339 R HA 0.336 4.681 4.340 0.008 0.000 0.292 339 R C -1.861 173.988 176.300 -0.751 0.000 0.998 339 R CA -0.578 54.742 56.100 -1.302 0.000 1.056 339 R CB -0.054 29.801 30.300 -0.742 0.000 0.939 339 R HN 0.346 nan 8.270 nan 0.000 0.411 340 P HA -0.087 nan 4.420 nan 0.000 0.261 340 P C -1.168 175.966 177.300 -0.277 0.000 1.173 340 P CA 0.539 63.394 63.100 -0.408 0.000 0.760 340 P CB 0.415 31.895 31.700 -0.368 0.000 0.783 341 N N 4.371 122.969 118.700 -0.171 0.000 2.609 341 N HA 0.198 4.943 4.740 0.008 0.000 0.268 341 N C -2.055 173.409 175.510 -0.077 0.000 1.106 341 N CA -2.420 50.558 53.050 -0.120 0.000 0.823 341 N CB 0.991 39.416 38.487 -0.104 0.000 1.263 341 N HN 0.077 nan 8.380 nan 0.000 0.533 342 P HA -0.043 nan 4.420 nan 0.000 0.228 342 P C 0.674 177.955 177.300 -0.031 0.000 1.151 342 P CA 0.551 63.625 63.100 -0.044 0.000 0.770 342 P CB 0.266 31.940 31.700 -0.043 0.000 0.786 343 A N 0.647 123.445 122.820 -0.036 0.000 2.235 343 A HA -0.012 4.313 4.320 0.008 0.000 0.208 343 A C 0.900 178.471 177.584 -0.023 0.000 1.172 343 A CA 0.322 52.343 52.037 -0.027 0.000 0.786 343 A CB -0.809 18.174 19.000 -0.028 0.000 0.804 343 A HN 0.393 nan 8.150 nan 0.000 0.479 344 N N -0.870 117.815 118.700 -0.025 0.000 2.785 344 N HA 0.197 4.942 4.740 0.008 0.000 0.224 344 N C -3.647 171.856 175.510 -0.012 0.000 1.448 344 N CA -1.097 51.943 53.050 -0.017 0.000 0.748 344 N CB -0.006 38.470 38.487 -0.017 0.000 1.385 344 N HN -0.162 nan 8.380 nan 0.000 0.538 345 P HA 0.149 nan 4.420 nan 0.000 0.266 345 P C -2.212 175.097 177.300 0.016 0.000 1.186 345 P CA -0.199 62.905 63.100 0.007 0.000 0.767 345 P CB -0.097 31.612 31.700 0.015 0.000 0.820 346 P HA 0.021 nan 4.420 nan 0.000 0.272 346 P C 0.655 177.978 177.300 0.038 0.000 1.240 346 P CA -0.015 63.107 63.100 0.037 0.000 0.791 346 P CB 0.675 32.413 31.700 0.063 0.000 0.978 347 E N 0.588 120.806 120.200 0.030 0.000 2.060 347 E HA -0.022 4.333 4.350 0.008 0.000 0.189 347 E C 0.100 176.730 176.600 0.051 0.000 0.974 347 E CA 0.713 57.129 56.400 0.027 0.000 0.808 347 E CB -0.361 29.343 29.700 0.006 0.000 0.768 347 E HN 0.152 nan 8.360 nan 0.000 0.453 348 L N 1.822 123.083 121.223 0.063 0.000 2.295 348 L HA 0.326 4.671 4.340 0.008 0.000 0.285 348 L C -0.483 176.504 176.870 0.195 0.000 1.035 348 L CA -0.512 54.401 54.840 0.120 0.000 0.806 348 L CB 1.217 43.300 42.059 0.040 0.000 1.214 348 L HN 0.356 nan 8.230 nan 0.000 0.426 349 L N 6.557 127.925 121.223 0.242 0.000 3.943 349 L HA -0.201 4.144 4.340 0.008 0.000 0.529 349 L C -1.322 175.661 176.870 0.187 0.000 1.173 349 L CA -0.371 54.611 54.840 0.238 0.000 0.737 349 L CB -0.746 41.484 42.059 0.284 0.000 1.321 349 L HN 0.608 nan 8.230 nan 0.000 0.794 350 P HA -0.118 nan 4.420 nan 0.000 0.222 350 P C 1.255 178.651 177.300 0.160 0.000 1.147 350 P CA 1.075 64.252 63.100 0.129 0.000 0.790 350 P CB 0.303 32.061 31.700 0.097 0.000 0.780 351 S N -0.565 115.248 115.700 0.188 0.000 2.558 351 S HA 0.048 4.523 4.470 0.008 0.000 0.217 351 S C 0.877 175.630 174.600 0.256 0.000 0.975 351 S CA -0.384 57.970 58.200 0.256 0.000 0.912 351 S CB -0.743 62.601 63.200 0.239 0.000 0.776 351 S HN 0.077 nan 8.310 nan 0.000 0.526 352 L N 2.454 123.807 121.223 0.217 0.000 2.559 352 L HA 0.369 4.714 4.340 0.008 0.000 0.274 352 L C 1.184 178.190 176.870 0.227 0.000 1.205 352 L CA 1.146 56.115 54.840 0.215 0.000 0.907 352 L CB -0.385 41.788 42.059 0.190 0.000 1.153 352 L HN 0.347 nan 8.230 nan 0.000 0.490 353 G N 2.438 111.381 108.800 0.239 0.000 2.168 353 G HA2 -0.282 3.683 3.960 0.008 0.000 0.263 353 G HA3 -0.282 3.683 3.960 0.008 0.000 0.263 353 G C 0.453 175.475 174.900 0.202 0.000 0.977 353 G CA 0.428 45.667 45.100 0.232 0.000 0.659 353 G HN 0.831 nan 8.290 nan 0.000 0.533 354 S N -1.475 114.352 115.700 0.212 0.000 2.718 354 S HA 0.636 5.111 4.470 0.008 0.000 0.300 354 S C 0.381 175.133 174.600 0.254 0.000 1.117 354 S CA 0.060 58.337 58.200 0.129 0.000 1.002 354 S CB 0.805 64.018 63.200 0.021 0.000 1.092 354 S HN 0.896 nan 8.310 nan 0.000 0.542 355 Y N -0.880 119.488 120.300 0.114 0.000 3.929 355 Y HA -0.200 4.355 4.550 0.008 0.000 0.225 355 Y C 0.472 176.454 175.900 0.138 0.000 1.200 355 Y CA 0.153 58.319 58.100 0.109 0.000 1.791 355 Y CB -2.125 36.394 38.460 0.099 0.000 1.561 355 Y HN 0.597 nan 8.280 nan 0.000 0.657 356 I N -0.317 120.404 120.570 0.252 0.000 2.696 356 I HA 0.526 4.701 4.170 0.008 0.000 0.284 356 I C 0.643 176.933 176.117 0.288 0.000 1.129 356 I CA 0.316 61.768 61.300 0.254 0.000 1.410 356 I CB 1.378 39.529 38.000 0.251 0.000 1.399 356 I HN 0.204 nan 8.210 nan 0.000 0.579 357 T N 1.751 116.436 114.554 0.219 0.000 2.876 357 T HA 0.670 5.025 4.350 0.008 0.000 0.289 357 T C -0.655 174.080 174.700 0.059 0.000 1.014 357 T CA -0.681 61.537 62.100 0.196 0.000 0.986 357 T CB 2.066 70.999 68.868 0.109 0.000 1.021 357 T HN 0.799 nan 8.240 nan 0.000 0.458 358 E N 1.243 121.454 120.200 0.018 0.000 2.331 358 E HA 0.336 4.691 4.350 0.008 0.000 0.275 358 E C -1.093 175.599 176.600 0.155 0.000 0.895 358 E CA -0.580 55.774 56.400 -0.077 0.000 0.753 358 E CB 2.059 31.485 29.700 -0.457 0.000 1.216 358 E HN 0.711 nan 8.360 nan 0.000 0.434 359 Q N 1.232 121.124 119.800 0.154 0.000 2.327 359 Q HA 0.406 4.751 4.340 0.008 0.000 0.254 359 Q C -0.379 175.778 176.000 0.262 0.000 0.952 359 Q CA -0.312 55.627 55.803 0.226 0.000 0.884 359 Q CB 1.132 30.031 28.738 0.268 0.000 1.224 359 Q HN 0.455 nan 8.270 nan 0.000 0.422 360 S N 1.807 117.593 115.700 0.143 0.000 2.549 360 S HA 0.247 4.722 4.470 0.008 0.000 0.283 360 S C -0.577 174.037 174.600 0.024 0.000 1.320 360 S CA -0.388 57.775 58.200 -0.061 0.000 1.058 360 S CB 0.288 63.346 63.200 -0.238 0.000 0.882 360 S HN 0.371 nan 8.310 nan 0.000 0.498 361 L N 4.981 126.183 121.223 -0.034 0.000 2.385 361 L HA 0.752 5.097 4.340 0.008 0.000 0.273 361 L C -0.777 175.916 176.870 -0.295 0.000 0.990 361 L CA -0.697 54.008 54.840 -0.224 0.000 0.821 361 L CB 1.718 43.586 42.059 -0.319 0.000 1.279 361 L HN 0.463 nan 8.230 nan 0.000 0.412 362 V N 2.111 121.779 119.914 -0.410 0.000 2.715 362 V HA 0.770 4.894 4.120 0.008 0.000 0.310 362 V C -1.071 174.882 176.094 -0.236 0.000 1.054 362 V CA -0.624 61.376 62.300 -0.501 0.000 0.928 362 V CB 1.632 32.977 31.823 -0.796 0.000 1.007 362 V HN 0.833 nan 8.190 nan 0.000 0.437 363 F N 5.005 124.748 119.950 -0.345 0.000 2.608 363 F HA 0.874 5.402 4.527 0.001 0.000 0.309 363 F C -0.459 175.259 175.800 -0.137 0.000 1.103 363 F CA -0.403 57.504 58.000 -0.154 0.000 0.954 363 F CB 1.435 40.406 39.000 -0.049 0.000 1.267 363 F HN 1.210 nan 8.300 nan 0.000 0.444 364 C N 3.156 121.982 119.300 -0.790 0.000 3.318 364 C HA 0.820 5.285 4.460 0.008 0.000 0.322 364 C C -1.630 172.987 174.990 -0.621 0.000 1.398 364 C CA -0.641 57.867 59.018 -0.850 0.000 1.339 364 C CB 1.675 29.084 27.740 -0.552 0.000 1.668 364 C HN 0.975 nan 8.230 nan 0.000 0.462 365 Q N 0.624 120.210 119.800 -0.356 0.000 2.399 365 Q HA 0.780 5.125 4.340 0.008 0.000 0.276 365 Q C -0.366 175.714 176.000 0.134 0.000 1.098 365 Q CA -0.284 55.540 55.803 0.034 0.000 0.827 365 Q CB 2.684 31.440 28.738 0.030 0.000 1.386 365 Q HN 0.940 nan 8.270 nan 0.000 0.443 366 T N -2.670 112.037 114.554 0.254 0.000 2.930 366 T HA 0.719 5.074 4.350 0.008 0.000 0.290 366 T C -0.563 174.216 174.700 0.131 0.000 1.052 366 T CA -0.718 61.475 62.100 0.156 0.000 1.017 366 T CB 1.239 70.203 68.868 0.159 0.000 1.137 366 T HN 0.263 nan 8.240 nan 0.000 0.511 367 V N 2.280 122.234 119.914 0.066 0.000 2.448 367 V HA 0.423 4.548 4.120 0.008 0.000 0.295 367 V C 0.209 176.327 176.094 0.041 0.000 1.025 367 V CA -0.938 61.394 62.300 0.053 0.000 0.859 367 V CB 1.322 33.162 31.823 0.028 0.000 0.988 367 V HN 1.033 nan 8.190 nan 0.000 0.431 368 M N 4.755 124.388 119.600 0.055 0.000 2.248 368 M HA 0.106 4.591 4.480 0.008 0.000 0.343 368 M C 0.848 177.163 176.300 0.026 0.000 1.243 368 M CA 0.693 56.026 55.300 0.054 0.000 1.025 368 M CB 0.636 33.268 32.600 0.054 0.000 1.759 368 M HN 0.928 nan 8.290 nan 0.000 0.452 369 S N 2.591 118.301 115.700 0.018 0.000 2.568 369 S HA 0.083 4.558 4.470 0.008 0.000 0.282 369 S C 1.003 175.609 174.600 0.009 0.000 1.338 369 S CA -0.127 58.073 58.200 -0.000 0.000 1.045 369 S CB 0.571 63.764 63.200 -0.011 0.000 0.873 369 S HN 0.810 nan 8.310 nan 0.000 0.516 370 T N 1.506 116.061 114.554 0.002 0.000 2.699 370 T HA -0.179 4.176 4.350 0.008 0.000 0.268 370 T C 1.610 176.319 174.700 0.014 0.000 1.036 370 T CA 1.876 63.981 62.100 0.008 0.000 1.147 370 T CB -0.544 68.326 68.868 0.002 0.000 0.862 370 T HN 0.860 nan 8.240 nan 0.000 0.446 371 E N 0.468 120.673 120.200 0.009 0.000 2.077 371 E HA -0.103 4.252 4.350 0.008 0.000 0.193 371 E C 2.183 178.801 176.600 0.029 0.000 0.989 371 E CA 0.857 57.264 56.400 0.013 0.000 0.800 371 E CB -0.185 29.515 29.700 0.000 0.000 0.746 371 E HN 0.441 nan 8.360 nan 0.000 0.452 372 L N 0.665 121.908 121.223 0.033 0.000 2.046 372 L HA -0.199 4.146 4.340 0.008 0.000 0.208 372 L C 2.474 179.385 176.870 0.069 0.000 1.077 372 L CA 0.482 55.356 54.840 0.057 0.000 0.747 372 L CB -0.300 41.794 42.059 0.059 0.000 0.896 372 L HN 0.284 nan 8.230 nan 0.000 0.432 373 I N -0.054 120.545 120.570 0.048 0.000 2.179 373 I HA -0.284 3.891 4.170 0.008 0.000 0.242 373 I C 2.197 178.345 176.117 0.051 0.000 1.088 373 I CA 1.528 62.852 61.300 0.040 0.000 1.357 373 I CB -1.163 36.852 38.000 0.025 0.000 1.051 373 I HN 0.280 nan 8.210 nan 0.000 0.409 374 D N 0.765 121.194 120.400 0.048 0.000 2.149 374 D HA -0.150 4.495 4.640 0.008 0.000 0.198 374 D C 2.362 178.708 176.300 0.078 0.000 0.990 374 D CA 1.721 55.753 54.000 0.053 0.000 0.839 374 D CB -0.154 40.670 40.800 0.040 0.000 0.948 374 D HN 0.383 nan 8.370 nan 0.000 0.460 375 S N 0.065 115.819 115.700 0.091 0.000 2.419 375 S HA -0.129 4.345 4.470 0.008 0.000 0.233 375 S C 2.178 176.922 174.600 0.240 0.000 1.016 375 S CA 0.876 59.157 58.200 0.135 0.000 0.974 375 S CB -0.566 62.700 63.200 0.110 0.000 0.786 375 S HN 0.096 nan 8.310 nan 0.000 0.492 376 V N 3.041 123.078 119.914 0.206 0.000 2.392 376 V HA -0.161 3.964 4.120 0.008 0.000 0.249 376 V C 2.265 178.436 176.094 0.129 0.000 1.059 376 V CA 2.142 64.582 62.300 0.233 0.000 1.051 376 V CB -0.833 31.043 31.823 0.088 0.000 0.658 376 V HN 0.838 nan 8.190 nan 0.000 0.455 377 K N 0.370 120.832 120.400 0.103 0.000 2.493 377 K HA 0.153 4.478 4.320 0.008 0.000 0.207 377 K C 1.502 178.158 176.600 0.093 0.000 1.033 377 K CA 0.669 57.000 56.287 0.074 0.000 1.161 377 K CB 0.154 32.690 32.500 0.060 0.000 0.873 377 K HN 0.435 nan 8.250 nan 0.000 0.491 378 S N 0.415 116.206 115.700 0.151 0.000 2.447 378 S HA -0.111 4.364 4.470 0.008 0.000 0.233 378 S C 0.974 175.621 174.600 0.077 0.000 1.006 378 S CA 0.890 59.152 58.200 0.104 0.000 0.957 378 S CB -0.153 63.099 63.200 0.087 0.000 0.773 378 S HN 0.291 nan 8.310 nan 0.000 0.507 379 D N 0.908 121.369 120.400 0.102 0.000 2.355 379 D HA 0.177 4.821 4.640 0.008 0.000 0.218 379 D C 0.217 176.575 176.300 0.097 0.000 1.004 379 D CA 0.409 54.458 54.000 0.081 0.000 0.880 379 D CB -0.033 40.812 40.800 0.076 0.000 0.911 379 D HN 0.370 nan 8.370 nan 0.000 0.528 380 M N 0.508 120.158 119.600 0.083 0.000 2.249 380 M HA 0.190 4.675 4.480 0.008 0.000 0.351 380 M C 0.290 176.625 176.300 0.059 0.000 1.180 380 M CA 0.027 55.380 55.300 0.090 0.000 1.127 380 M CB 1.023 33.663 32.600 0.068 0.000 1.546 380 M HN -0.340 nan 8.290 nan 0.000 0.461 381 T N 4.441 119.023 114.554 0.047 0.000 2.767 381 T HA 0.654 5.009 4.350 0.008 0.000 0.288 381 T C 0.048 174.735 174.700 -0.022 0.000 0.963 381 T CA -0.309 61.799 62.100 0.013 0.000 1.019 381 T CB 0.417 69.287 68.868 0.004 0.000 0.923 381 T HN 0.414 nan 8.240 nan 0.000 0.468 382 I N 3.764 124.321 120.570 -0.022 0.000 2.406 382 I HA 0.459 4.634 4.170 0.008 0.000 0.290 382 I C 0.338 176.431 176.117 -0.041 0.000 0.999 382 I CA -0.657 60.608 61.300 -0.058 0.000 1.124 382 I CB 1.409 39.415 38.000 0.009 0.000 1.289 382 I HN 0.306 nan 8.210 nan 0.000 0.441 383 R N 4.111 124.556 120.500 -0.091 0.000 2.599 383 R HA 0.772 5.117 4.340 0.008 0.000 0.295 383 R C 0.057 176.377 176.300 0.033 0.000 0.963 383 R CA -0.610 55.474 56.100 -0.027 0.000 0.883 383 R CB 2.051 32.329 30.300 -0.038 0.000 1.171 383 R HN 0.886 nan 8.270 nan 0.000 0.450 384 G N 1.044 109.906 108.800 0.103 0.000 2.725 384 G HA2 -0.238 3.727 3.960 0.008 0.000 0.220 384 G HA3 -0.238 3.727 3.960 0.008 0.000 0.220 384 G C -0.847 174.226 174.900 0.287 0.000 1.357 384 G CA -0.736 44.472 45.100 0.180 0.000 0.866 384 G HN 0.505 nan 8.290 nan 0.000 0.548 385 T N 3.104 117.788 114.554 0.216 0.000 2.829 385 T HA 0.650 5.005 4.350 0.008 0.000 0.280 385 T C -2.444 172.109 174.700 -0.245 0.000 0.999 385 T CA -0.633 61.495 62.100 0.047 0.000 0.983 385 T CB 2.053 70.923 68.868 0.003 0.000 0.968 385 T HN 0.507 nan 8.240 nan 0.000 0.446 386 P HA 0.177 nan 4.420 nan 0.000 0.265 386 P C 1.085 178.112 177.300 -0.454 0.000 1.187 386 P CA 1.078 63.539 63.100 -1.065 0.000 0.766 386 P CB 0.297 31.585 31.700 -0.686 0.000 0.820 387 G N 0.951 109.542 108.800 -0.347 0.000 2.253 387 G HA2 -0.198 3.767 3.960 0.008 0.000 0.251 387 G HA3 -0.198 3.767 3.960 0.008 0.000 0.251 387 G C 0.147 175.012 174.900 -0.058 0.000 0.998 387 G CA -0.243 44.775 45.100 -0.137 0.000 0.621 387 G HN 0.523 nan 8.290 nan 0.000 0.524 388 E N 0.320 120.499 120.200 -0.036 0.000 2.373 388 E HA 0.462 4.817 4.350 0.008 0.000 0.263 388 E C 1.781 178.423 176.600 0.069 0.000 1.073 388 E CA -0.540 55.877 56.400 0.028 0.000 0.894 388 E CB 0.677 30.407 29.700 0.050 0.000 1.008 388 E HN 0.254 nan 8.360 nan 0.000 0.420 389 L N 0.893 122.146 121.223 0.050 0.000 2.187 389 L HA -0.193 4.152 4.340 0.008 0.000 0.213 389 L C 2.168 179.077 176.870 0.064 0.000 1.100 389 L CA 1.797 56.667 54.840 0.050 0.000 0.765 389 L CB -0.574 41.502 42.059 0.030 0.000 0.904 389 L HN 0.583 nan 8.230 nan 0.000 0.437 390 T N -4.372 110.227 114.554 0.075 0.000 3.129 390 T HA -0.088 4.267 4.350 0.008 0.000 0.251 390 T C 0.535 175.293 174.700 0.097 0.000 1.117 390 T CA -0.333 61.807 62.100 0.066 0.000 1.034 390 T CB -0.397 68.502 68.868 0.051 0.000 0.968 390 T HN 0.124 nan 8.240 nan 0.000 0.526 391 Y N 2.506 122.807 120.300 0.002 0.000 2.610 391 Y HA 0.421 4.976 4.550 0.009 0.000 0.332 391 Y C 0.113 176.015 175.900 0.005 0.000 1.201 391 Y CA -0.426 57.676 58.100 0.004 0.000 1.465 391 Y CB 0.410 38.871 38.460 0.002 0.000 1.283 391 Y HN 0.196 nan 8.280 nan 0.000 0.563 392 S N 5.255 120.623 115.700 -0.554 0.000 2.668 392 S HA 0.620 5.095 4.470 0.008 0.000 0.277 392 S C -1.997 172.294 174.600 -0.515 0.000 1.170 392 S CA -0.731 57.222 58.200 -0.411 0.000 0.994 392 S CB 0.611 63.699 63.200 -0.187 0.000 1.051 392 S HN 0.487 nan 8.310 nan 0.000 0.484 393 V N 5.163 124.840 119.914 -0.395 0.000 2.350 393 V HA 0.655 4.780 4.120 0.008 0.000 0.285 393 V C 0.204 176.262 176.094 -0.060 0.000 1.014 393 V CA -0.422 61.750 62.300 -0.214 0.000 0.831 393 V CB 1.204 32.936 31.823 -0.152 0.000 1.000 393 V HN 0.982 nan 8.190 nan 0.000 0.433 394 T N 1.987 116.533 114.554 -0.013 0.000 2.916 394 T HA 0.888 5.243 4.350 0.008 0.000 0.292 394 T C -0.902 173.878 174.700 0.134 0.000 1.064 394 T CA -0.721 61.393 62.100 0.024 0.000 1.011 394 T CB 2.403 71.240 68.868 -0.052 0.000 1.152 394 T HN 0.700 nan 8.240 nan 0.000 0.510 395 Y N -1.805 118.488 120.300 -0.011 0.000 2.677 395 Y HA 0.783 5.338 4.550 0.009 0.000 0.334 395 Y C -0.910 174.988 175.900 -0.002 0.000 1.154 395 Y CA -1.356 56.742 58.100 -0.003 0.000 1.070 395 Y CB 0.831 39.297 38.460 0.010 0.000 1.294 395 Y HN 0.622 nan 8.280 nan 0.000 0.475 396 T N 4.043 118.581 114.554 -0.026 0.000 2.770 396 T HA 0.416 4.771 4.350 0.008 0.000 0.297 396 T C -2.811 171.876 174.700 -0.022 0.000 0.997 396 T CA -1.351 60.678 62.100 -0.120 0.000 0.949 396 T CB 0.741 69.594 68.868 -0.024 0.000 0.941 396 T HN 0.343 nan 8.240 nan 0.000 0.457 397 P HA 0.217 nan 4.420 nan 0.000 0.265 397 P C 1.086 178.426 177.300 0.066 0.000 1.193 397 P CA 0.682 63.824 63.100 0.070 0.000 0.765 397 P CB 0.395 32.101 31.700 0.010 0.000 0.823 398 G N 1.849 110.710 108.800 0.102 0.000 2.168 398 G HA2 -0.224 3.741 3.960 0.008 0.000 0.263 398 G HA3 -0.224 3.741 3.960 0.008 0.000 0.263 398 G C 0.461 175.383 174.900 0.036 0.000 0.977 398 G CA 0.049 45.184 45.100 0.058 0.000 0.659 398 G HN 0.858 nan 8.290 nan 0.000 0.533 399 A N 0.497 123.341 122.820 0.041 0.000 2.488 399 A HA 0.650 4.975 4.320 0.008 0.000 0.249 399 A C 1.761 179.348 177.584 0.005 0.000 1.083 399 A CA 1.199 53.248 52.037 0.021 0.000 0.768 399 A CB 0.320 19.336 19.000 0.026 0.000 1.017 399 A HN 1.693 nan 8.150 nan 0.000 0.496 400 S N 1.557 117.254 115.700 -0.005 0.000 2.419 400 S HA -0.170 4.305 4.470 0.008 0.000 0.233 400 S C 1.496 176.078 174.600 -0.030 0.000 1.016 400 S CA 1.684 59.874 58.200 -0.017 0.000 0.974 400 S CB -0.898 62.294 63.200 -0.014 0.000 0.786 400 S HN 1.259 nan 8.310 nan 0.000 0.492 401 T N -0.690 113.849 114.554 -0.026 0.000 3.148 401 T HA 0.181 4.536 4.350 0.008 0.000 0.253 401 T C 0.387 175.054 174.700 -0.055 0.000 1.134 401 T CA -0.375 61.702 62.100 -0.037 0.000 1.051 401 T CB -0.624 68.229 68.868 -0.025 0.000 0.959 401 T HN 0.191 nan 8.240 nan 0.000 0.525 402 N N 2.102 120.770 118.700 -0.052 0.000 2.518 402 N HA 0.219 4.964 4.740 0.008 0.000 0.266 402 N C 0.866 176.266 175.510 -0.183 0.000 1.196 402 N CA -0.286 52.715 53.050 -0.082 0.000 0.947 402 N CB 1.065 39.531 38.487 -0.035 0.000 1.098 402 N HN 0.243 nan 8.380 nan 0.000 0.450 403 K N 1.041 121.254 120.400 -0.312 0.000 2.367 403 K HA 0.092 4.417 4.320 0.008 0.000 0.194 403 K C -0.152 175.939 176.600 -0.847 0.000 1.027 403 K CA 0.394 56.353 56.287 -0.546 0.000 1.075 403 K CB 0.298 32.406 32.500 -0.654 0.000 0.845 403 K HN 0.575 nan 8.250 nan 0.000 0.529 404 H N 0.284 119.074 119.070 -0.467 0.000 2.865 404 H HA 0.331 4.892 4.556 0.008 0.000 0.372 404 H C -2.537 172.496 175.328 -0.492 0.000 1.173 404 H CA -2.256 53.361 56.048 -0.718 0.000 1.147 404 H CB 1.539 30.508 29.762 -1.322 0.000 1.805 404 H HN -0.192 nan 8.280 nan 0.000 0.553 405 P HA 0.004 nan 4.420 nan 0.000 0.272 405 P C 0.450 177.605 177.300 -0.240 0.000 1.240 405 P CA -0.206 62.749 63.100 -0.240 0.000 0.791 405 P CB 1.031 32.584 31.700 -0.246 0.000 0.978 406 D N 0.124 120.498 120.400 -0.043 0.000 2.123 406 D HA -0.152 4.493 4.640 0.008 0.000 0.196 406 D C 1.839 178.172 176.300 0.054 0.000 0.992 406 D CA 1.276 55.314 54.000 0.065 0.000 0.833 406 D CB -0.540 40.383 40.800 0.205 0.000 0.954 406 D HN 0.610 nan 8.370 nan 0.000 0.455 407 W N 0.306 121.676 121.300 0.116 0.000 2.363 407 W HA -0.151 4.514 4.660 0.008 0.000 0.296 407 W C 1.950 178.541 176.519 0.121 0.000 1.212 407 W CA 0.198 57.609 57.345 0.110 0.000 1.260 407 W CB -1.301 28.220 29.460 0.101 0.000 1.131 407 W HN 0.067 nan 8.180 nan 0.000 0.530 408 W N 3.603 124.381 121.300 -0.870 0.000 2.378 408 W HA -0.185 4.480 4.660 0.009 0.000 0.313 408 W C 1.945 178.152 176.519 -0.519 0.000 1.197 408 W CA 1.843 58.645 57.345 -0.905 0.000 1.304 408 W CB -1.085 27.670 29.460 -1.175 0.000 1.148 408 W HN -0.102 nan 8.180 nan 0.000 0.494 409 N N 1.000 119.593 118.700 -0.178 0.000 2.149 409 N HA -0.227 4.518 4.740 0.008 0.000 0.188 409 N C 1.503 176.711 175.510 -0.503 0.000 1.019 409 N CA 2.084 54.812 53.050 -0.537 0.000 0.857 409 N CB -0.663 37.075 38.487 -1.248 0.000 0.997 409 N HN 0.298 nan 8.380 nan 0.000 0.426 410 E N 1.405 121.484 120.200 -0.201 0.000 2.072 410 E HA -0.063 4.292 4.350 0.008 0.000 0.191 410 E C 1.626 178.278 176.600 0.086 0.000 0.985 410 E CA 1.226 57.688 56.400 0.104 0.000 0.801 410 E CB 0.063 29.898 29.700 0.224 0.000 0.750 410 E HN 0.252 nan 8.360 nan 0.000 0.452 411 K N -0.437 120.000 120.400 0.061 0.000 2.057 411 K HA -0.106 4.219 4.320 0.008 0.000 0.207 411 K C 2.096 178.694 176.600 -0.003 0.000 1.049 411 K CA 1.465 57.777 56.287 0.042 0.000 0.931 411 K CB -0.138 32.385 32.500 0.038 0.000 0.714 411 K HN 0.029 nan 8.250 nan 0.000 0.440 412 V N 1.867 121.733 119.914 -0.079 0.000 2.307 412 V HA -0.236 3.889 4.120 0.008 0.000 0.245 412 V C 2.377 178.499 176.094 0.046 0.000 1.045 412 V CA 1.566 63.830 62.300 -0.060 0.000 1.024 412 V CB -0.391 31.368 31.823 -0.107 0.000 0.651 412 V HN 0.331 nan 8.190 nan 0.000 0.449 413 K N 0.298 120.727 120.400 0.049 0.000 2.032 413 K HA -0.233 4.092 4.320 0.008 0.000 0.209 413 K C 2.006 178.669 176.600 0.105 0.000 1.048 413 K CA 1.938 58.289 56.287 0.108 0.000 0.927 413 K CB -0.237 32.394 32.500 0.218 0.000 0.712 413 K HN 0.415 nan 8.250 nan 0.000 0.441 414 N N 0.376 119.143 118.700 0.111 0.000 2.142 414 N HA -0.174 4.571 4.740 0.008 0.000 0.186 414 N C 1.767 177.337 175.510 0.099 0.000 1.023 414 N CA 1.312 54.420 53.050 0.096 0.000 0.852 414 N CB -0.611 37.938 38.487 0.103 0.000 0.998 414 N HN 0.434 nan 8.380 nan 0.000 0.424 415 H N 0.660 119.756 119.070 0.042 0.000 2.321 415 H HA 0.079 4.640 4.556 0.008 0.000 0.300 415 H C 2.064 177.434 175.328 0.070 0.000 1.087 415 H CA 1.774 57.857 56.048 0.058 0.000 1.319 415 H CB -0.086 29.639 29.762 -0.061 0.000 1.379 415 H HN 0.097 nan 8.280 nan 0.000 0.501 416 M N -0.791 118.842 119.600 0.054 0.000 2.159 416 M HA -0.153 4.332 4.480 0.008 0.000 0.263 416 M C 1.828 178.182 176.300 0.089 0.000 1.063 416 M CA 1.213 56.552 55.300 0.066 0.000 1.110 416 M CB 0.016 32.705 32.600 0.150 0.000 1.374 416 M HN 0.366 nan 8.290 nan 0.000 0.411 417 M N -0.544 119.092 119.600 0.060 0.000 2.287 417 M HA -0.083 4.402 4.480 0.008 0.000 0.266 417 M C 1.819 178.109 176.300 -0.017 0.000 1.079 417 M CA 1.605 56.947 55.300 0.070 0.000 1.146 417 M CB -0.846 31.776 32.600 0.038 0.000 1.374 417 M HN 0.311 nan 8.290 nan 0.000 0.435 418 Q N -0.960 118.764 119.800 -0.127 0.000 2.398 418 Q HA -0.023 4.321 4.340 0.008 0.000 0.204 418 Q C 0.015 175.667 176.000 -0.581 0.000 0.932 418 Q CA 0.651 56.272 55.803 -0.303 0.000 0.916 418 Q CB 0.441 28.993 28.738 -0.309 0.000 1.024 418 Q HN 0.497 nan 8.270 nan 0.000 0.504 419 H N 0.200 119.183 119.070 -0.144 0.000 2.336 419 H HA 0.201 4.763 4.556 0.009 0.000 0.230 419 H C -0.014 175.226 175.328 -0.147 0.000 1.426 419 H CA -0.080 55.876 56.048 -0.155 0.000 1.359 419 H CB 0.564 30.153 29.762 -0.288 0.000 1.555 419 H HN 0.243 nan 8.280 nan 0.000 0.512 420 Q N 0.621 120.406 119.800 -0.026 0.000 2.435 420 Q HA -0.085 4.260 4.340 0.008 0.000 0.207 420 Q C 1.671 177.631 176.000 -0.067 0.000 0.956 420 Q CA 0.615 56.373 55.803 -0.074 0.000 0.917 420 Q CB 0.489 29.149 28.738 -0.129 0.000 0.997 420 Q HN 0.527 nan 8.270 nan 0.000 0.497 421 E N 0.837 121.042 120.200 0.009 0.000 2.481 421 E HA -0.078 4.277 4.350 0.008 0.000 0.195 421 E C -0.392 176.241 176.600 0.056 0.000 1.047 421 E CA 0.414 56.829 56.400 0.025 0.000 0.867 421 E CB 0.076 29.811 29.700 0.059 0.000 0.858 421 E HN 0.145 nan 8.360 nan 0.000 0.513 422 D N 1.796 122.240 120.400 0.073 0.000 2.193 422 D HA 0.162 4.807 4.640 0.008 0.000 0.244 422 D C -1.682 174.664 176.300 0.076 0.000 1.064 422 D CA -2.178 51.889 54.000 0.112 0.000 0.845 422 D CB 1.781 42.666 40.800 0.141 0.000 1.148 422 D HN -0.191 nan 8.370 nan 0.000 0.464 423 P HA 0.146 nan 4.420 nan 0.000 0.261 423 P C -0.263 177.076 177.300 0.066 0.000 1.268 423 P CA 0.046 63.181 63.100 0.058 0.000 0.833 423 P CB 0.471 32.198 31.700 0.045 0.000 1.231 424 L N 1.816 123.087 121.223 0.080 0.000 2.334 424 L HA 0.393 4.738 4.340 0.008 0.000 0.272 424 L C -1.441 175.449 176.870 0.033 0.000 1.020 424 L CA -2.239 52.619 54.840 0.029 0.000 0.812 424 L CB 2.388 44.433 42.059 -0.023 0.000 1.264 424 L HN -0.293 nan 8.230 nan 0.000 0.439 425 P HA 0.137 nan 4.420 nan 0.000 0.261 425 P C 0.134 177.261 177.300 -0.289 0.000 1.268 425 P CA 0.393 63.465 63.100 -0.047 0.000 0.833 425 P CB 0.475 32.162 31.700 -0.021 0.000 1.231 426 I N 2.216 122.529 120.570 -0.429 0.000 2.371 426 I HA 0.232 4.407 4.170 0.008 0.000 0.290 426 I C -2.171 173.438 176.117 -0.847 0.000 1.028 426 I CA -2.734 58.269 61.300 -0.495 0.000 1.345 426 I CB 0.774 38.589 38.000 -0.308 0.000 1.407 426 I HN -0.259 nan 8.210 nan 0.000 0.501 427 P HA -0.003 nan 4.420 nan 0.000 0.267 427 P C 0.331 177.410 177.300 -0.369 0.000 1.200 427 P CA 0.038 62.802 63.100 -0.561 0.000 0.772 427 P CB 0.355 31.940 31.700 -0.193 0.000 0.855 428 F N 1.035 120.912 119.950 -0.122 0.000 2.126 428 F HA -0.170 4.361 4.527 0.008 0.000 0.299 428 F C 1.676 177.451 175.800 -0.043 0.000 1.096 428 F CA 1.680 59.638 58.000 -0.070 0.000 1.255 428 F CB -1.150 37.818 39.000 -0.055 0.000 0.997 428 F HN 0.421 nan 8.300 nan 0.000 0.479 429 E N -0.508 119.790 120.200 0.163 0.000 2.437 429 E HA 0.009 4.364 4.350 0.008 0.000 0.189 429 E C -0.126 176.502 176.600 0.048 0.000 1.054 429 E CA -0.131 56.328 56.400 0.097 0.000 0.874 429 E CB -0.356 29.396 29.700 0.087 0.000 1.011 429 E HN 0.164 nan 8.360 nan 0.000 0.474 430 D N 2.685 123.093 120.400 0.014 0.000 2.472 430 D HA 0.006 4.651 4.640 0.008 0.000 0.248 430 D C -2.180 174.145 176.300 0.041 0.000 1.174 430 D CA -1.412 52.584 54.000 -0.006 0.000 0.883 430 D CB 0.673 41.433 40.800 -0.067 0.000 1.149 430 D HN -0.103 nan 8.370 nan 0.000 0.488 431 P HA 0.061 nan 4.420 nan 0.000 0.270 431 P C -0.469 176.949 177.300 0.197 0.000 1.223 431 P CA -0.359 62.836 63.100 0.158 0.000 0.785 431 P CB 0.353 32.145 31.700 0.153 0.000 0.923 432 E N 2.353 122.683 120.200 0.217 0.000 2.418 432 E HA 0.099 4.454 4.350 0.008 0.000 0.261 432 E C -2.333 174.287 176.600 0.033 0.000 1.070 432 E CA -1.775 54.673 56.400 0.079 0.000 0.931 432 E CB -0.916 28.786 29.700 0.005 0.000 0.954 432 E HN 0.282 nan 8.360 nan 0.000 0.439 433 P HA 0.057 nan 4.420 nan 0.000 0.275 433 P C -0.495 176.822 177.300 0.028 0.000 1.228 433 P CA -0.077 63.104 63.100 0.135 0.000 0.786 433 P CB 0.568 32.334 31.700 0.109 0.000 0.927 434 Q N 1.116 121.018 119.800 0.170 0.000 3.557 434 Q HA 0.305 4.650 4.340 0.008 0.000 0.264 434 Q C -0.870 175.237 176.000 0.178 0.000 0.850 434 Q CA -0.356 55.439 55.803 -0.014 0.000 0.833 434 Q CB 1.145 29.639 28.738 -0.408 0.000 1.505 434 Q HN 0.204 nan 8.270 nan 0.000 0.402 435 V N 0.522 120.508 119.914 0.120 0.000 2.630 435 V HA 0.721 4.846 4.120 0.008 0.000 0.305 435 V C 0.187 176.310 176.094 0.049 0.000 1.046 435 V CA -0.419 61.944 62.300 0.105 0.000 0.934 435 V CB 2.050 33.892 31.823 0.032 0.000 1.003 435 V HN 0.435 nan 8.190 nan 0.000 0.451 436 T N 1.424 116.033 114.554 0.093 0.000 2.916 436 T HA 0.491 4.846 4.350 0.008 0.000 0.305 436 T C -0.918 173.774 174.700 -0.013 0.000 1.119 436 T CA -0.322 61.789 62.100 0.018 0.000 1.008 436 T CB 1.837 70.703 68.868 -0.003 0.000 1.129 436 T HN 0.843 nan 8.240 nan 0.000 0.480 437 T N 4.602 119.025 114.554 -0.217 0.000 2.772 437 T HA 0.600 4.955 4.350 0.008 0.000 0.288 437 T C -0.101 174.497 174.700 -0.170 0.000 0.994 437 T CA -0.618 61.200 62.100 -0.469 0.000 0.951 437 T CB -0.103 68.077 68.868 -1.146 0.000 0.933 437 T HN 0.526 nan 8.240 nan 0.000 0.447 438 L N 4.554 125.739 121.223 -0.064 0.000 2.467 438 L HA 0.366 4.711 4.340 0.008 0.000 0.270 438 L C 0.758 177.632 176.870 0.007 0.000 1.205 438 L CA -0.861 54.013 54.840 0.056 0.000 0.828 438 L CB 0.176 42.252 42.059 0.029 0.000 1.101 438 L HN 0.642 nan 8.230 nan 0.000 0.479 439 F N 3.062 122.932 119.950 -0.134 0.000 2.537 439 F HA -0.123 4.409 4.527 0.008 0.000 0.402 439 F C 0.384 175.901 175.800 -0.471 0.000 1.005 439 F CA 0.776 58.591 58.000 -0.308 0.000 1.203 439 F CB 0.126 38.998 39.000 -0.214 0.000 0.955 439 F HN 0.419 nan 8.300 nan 0.000 0.547 440 Q N 6.535 125.748 119.800 -0.978 0.000 2.553 440 Q HA 0.266 4.611 4.340 0.008 0.000 0.293 440 Q C -1.996 173.489 176.000 -0.858 0.000 1.038 440 Q CA -1.737 53.621 55.803 -0.742 0.000 0.777 440 Q CB 1.269 29.506 28.738 -0.835 0.000 1.487 440 Q HN 0.230 nan 8.270 nan 0.000 0.426 441 P HA -0.187 nan 4.420 nan 0.000 0.216 441 P C 1.165 178.230 177.300 -0.391 0.000 1.150 441 P CA 2.010 64.905 63.100 -0.342 0.000 0.843 441 P CB 0.174 31.781 31.700 -0.155 0.000 0.787 442 S N -1.685 113.804 115.700 -0.353 0.000 2.561 442 S HA -0.097 4.378 4.470 0.008 0.000 0.225 442 S C 0.473 174.885 174.600 -0.313 0.000 0.977 442 S CA 0.105 58.171 58.200 -0.224 0.000 0.926 442 S CB -1.295 61.877 63.200 -0.047 0.000 0.769 442 S HN 0.449 nan 8.310 nan 0.000 0.533 443 H N -1.303 117.302 119.070 -0.775 0.000 2.596 443 H HA 0.452 5.013 4.556 0.008 0.000 0.240 443 H C -3.197 170.999 175.328 -1.886 0.000 1.406 443 H CA -1.781 53.426 56.048 -1.401 0.000 1.504 443 H CB 0.582 29.808 29.762 -0.893 0.000 1.688 443 H HN 0.062 nan 8.280 nan 0.000 0.546 444 P HA 0.071 nan 4.420 nan 0.000 0.220 444 P C -1.208 175.595 177.300 -0.827 0.000 1.778 444 P CA 0.147 62.183 63.100 -1.774 0.000 0.912 444 P CB -1.027 30.186 31.700 -0.812 0.000 1.861 445 W N -0.673 120.385 121.300 -0.403 0.000 3.107 445 W HA 0.570 5.237 4.660 0.011 0.000 0.331 445 W C -0.794 175.840 176.519 0.193 0.000 1.204 445 W CA -1.318 56.085 57.345 0.097 0.000 1.184 445 W CB 0.097 29.617 29.460 0.101 0.000 1.421 445 W HN -0.052 nan 8.180 nan 0.000 0.544 446 H N 0.945 120.273 119.070 0.430 0.000 2.482 446 H HA 0.717 5.278 4.556 0.008 0.000 0.344 446 H C -0.205 175.263 175.328 0.233 0.000 1.151 446 H CA 0.251 56.448 56.048 0.249 0.000 1.300 446 H CB 1.529 31.389 29.762 0.163 0.000 1.494 446 H HN 0.592 nan 8.280 nan 0.000 0.542 447 T N 1.874 116.064 114.554 -0.606 0.000 2.906 447 T HA 0.530 4.885 4.350 0.008 0.000 0.295 447 T C -0.775 173.619 174.700 -0.510 0.000 1.061 447 T CA -1.112 60.662 62.100 -0.544 0.000 1.000 447 T CB 1.767 70.202 68.868 -0.722 0.000 1.103 447 T HN 0.648 nan 8.240 nan 0.000 0.486 448 Q N 1.316 121.029 119.800 -0.144 0.000 2.263 448 Q HA 0.520 4.865 4.340 0.008 0.000 0.266 448 Q C -1.367 174.599 176.000 -0.057 0.000 1.002 448 Q CA -0.556 55.109 55.803 -0.231 0.000 0.790 448 Q CB 2.480 30.987 28.738 -0.385 0.000 1.272 448 Q HN 0.720 nan 8.270 nan 0.000 0.435 449 I N 3.808 124.307 120.570 -0.118 0.000 2.537 449 I HA 0.359 4.534 4.170 0.008 0.000 0.276 449 I C -0.489 175.574 176.117 -0.091 0.000 1.063 449 I CA -0.310 60.787 61.300 -0.338 0.000 1.144 449 I CB 0.423 38.085 38.000 -0.563 0.000 1.252 449 I HN 0.725 nan 8.210 nan 0.000 0.480 450 H N 3.611 122.554 119.070 -0.212 0.000 2.917 450 H HA 0.683 5.244 4.556 0.009 0.000 0.269 450 H C -1.227 174.086 175.328 -0.025 0.000 1.488 450 H CA -1.344 54.647 56.048 -0.095 0.000 1.173 450 H CB 1.488 31.209 29.762 -0.069 0.000 1.868 450 H HN 0.103 nan 8.280 nan 0.000 0.600 451 R N 1.230 121.599 120.500 -0.217 0.000 2.538 451 R HA 0.436 4.781 4.340 0.008 0.000 0.292 451 R C -1.554 174.580 176.300 -0.276 0.000 1.008 451 R CA -0.577 55.362 56.100 -0.269 0.000 0.896 451 R CB 1.821 32.051 30.300 -0.117 0.000 1.187 451 R HN 0.867 nan 8.270 nan 0.000 0.440 452 D N 0.242 120.465 120.400 -0.295 0.000 2.792 452 D HA 0.456 5.101 4.640 0.008 0.000 0.335 452 D C -1.495 174.598 176.300 -0.345 0.000 1.353 452 D CA -0.377 53.496 54.000 -0.212 0.000 0.839 452 D CB 2.157 42.916 40.800 -0.070 0.000 1.396 452 D HN 0.473 nan 8.370 nan 0.000 0.479 453 A N 0.737 123.398 122.820 -0.265 0.000 2.288 453 A HA 0.736 5.061 4.320 0.008 0.000 0.320 453 A C -0.970 176.473 177.584 -0.235 0.000 1.217 453 A CA -0.350 51.479 52.037 -0.348 0.000 0.840 453 A CB -0.182 18.792 19.000 -0.042 0.000 1.179 453 A HN 0.345 nan 8.150 nan 0.000 0.504 454 F N -0.203 119.578 119.950 -0.282 0.000 2.664 454 F HA 0.569 5.100 4.527 0.007 0.000 0.317 454 F C 1.245 176.757 175.800 -0.480 0.000 1.108 454 F CA -0.400 57.348 58.000 -0.420 0.000 0.957 454 F CB 1.145 39.732 39.000 -0.689 0.000 1.365 454 F HN 0.414 nan 8.300 nan 0.000 0.475 455 S N -0.167 115.413 115.700 -0.200 0.000 2.447 455 S HA -0.181 4.294 4.470 0.008 0.000 0.233 455 S C 1.028 175.593 174.600 -0.058 0.000 1.006 455 S CA 1.314 59.458 58.200 -0.094 0.000 0.957 455 S CB -1.071 62.157 63.200 0.046 0.000 0.773 455 S HN 0.741 nan 8.310 nan 0.000 0.507 456 Y N 1.095 121.407 120.300 0.019 0.000 2.468 456 Y HA 0.633 5.186 4.550 0.004 0.000 0.268 456 Y C 1.189 177.012 175.900 -0.128 0.000 1.177 456 Y CA -1.511 56.562 58.100 -0.044 0.000 1.265 456 Y CB -1.082 37.331 38.460 -0.079 0.000 1.103 456 Y HN 0.202 nan 8.280 nan 0.000 0.522 457 G N 1.126 109.706 108.800 -0.367 0.000 2.614 457 G HA2 0.396 4.361 3.960 0.008 0.000 0.239 457 G HA3 0.396 4.361 3.960 0.008 0.000 0.239 457 G C -0.390 174.394 174.900 -0.193 0.000 1.240 457 G CA 0.054 44.802 45.100 -0.586 0.000 0.842 457 G HN 0.608 nan 8.290 nan 0.000 0.584 458 A N -0.243 122.538 122.820 -0.065 0.000 2.337 458 A HA 0.782 5.107 4.320 0.008 0.000 0.331 458 A C -0.775 176.799 177.584 -0.017 0.000 1.137 458 A CA -0.578 51.485 52.037 0.044 0.000 0.807 458 A CB 2.046 21.158 19.000 0.186 0.000 1.250 458 A HN 1.212 nan 8.150 nan 0.000 0.468 459 V N 2.245 122.158 119.914 -0.002 0.000 2.624 459 V HA 0.466 4.591 4.120 0.008 0.000 0.294 459 V C -0.950 175.148 176.094 0.006 0.000 1.077 459 V CA -0.484 61.809 62.300 -0.012 0.000 0.905 459 V CB 1.416 33.221 31.823 -0.030 0.000 1.025 459 V HN 1.188 nan 8.190 nan 0.000 0.440 460 Q N 3.838 123.645 119.800 0.011 0.000 2.544 460 Q HA 0.723 5.068 4.340 0.008 0.000 0.291 460 Q C -0.505 175.503 176.000 0.013 0.000 1.068 460 Q CA -0.819 54.993 55.803 0.015 0.000 0.785 460 Q CB 1.834 30.584 28.738 0.021 0.000 1.481 460 Q HN 0.261 nan 8.270 nan 0.000 0.430 461 Q N -0.277 119.531 119.800 0.013 0.000 2.185 461 Q HA 0.245 4.590 4.340 0.008 0.000 0.234 461 Q C 0.925 176.935 176.000 0.015 0.000 0.819 461 Q CA 0.421 56.231 55.803 0.012 0.000 0.961 461 Q CB 1.006 29.749 28.738 0.008 0.000 1.140 461 Q HN 0.712 nan 8.270 nan 0.000 0.492 462 S N 0.091 115.801 115.700 0.017 0.000 2.377 462 S HA 0.085 4.560 4.470 0.008 0.000 0.223 462 S C 0.924 175.537 174.600 0.022 0.000 1.030 462 S CA 0.344 58.555 58.200 0.018 0.000 0.970 462 S CB 0.317 63.527 63.200 0.016 0.000 0.830 462 S HN 0.120 nan 8.310 nan 0.000 0.473 463 I N 2.651 123.235 120.570 0.024 0.000 2.385 463 I HA 0.278 4.453 4.170 0.008 0.000 0.294 463 I C 0.247 176.383 176.117 0.033 0.000 0.988 463 I CA -0.914 60.403 61.300 0.028 0.000 1.265 463 I CB 1.039 39.057 38.000 0.029 0.000 1.388 463 I HN 0.195 nan 8.210 nan 0.000 0.480 464 D N 3.718 124.142 120.400 0.039 0.000 2.493 464 D HA -0.067 4.578 4.640 0.008 0.000 0.240 464 D C 1.233 177.560 176.300 0.045 0.000 1.142 464 D CA 0.225 54.254 54.000 0.049 0.000 0.872 464 D CB 1.183 42.019 40.800 0.061 0.000 1.173 464 D HN 0.657 nan 8.370 nan 0.000 0.467 465 S N 4.226 119.953 115.700 0.045 0.000 2.419 465 S HA -0.185 4.290 4.470 0.008 0.000 0.233 465 S C 1.662 176.285 174.600 0.037 0.000 1.016 465 S CA 0.644 58.866 58.200 0.038 0.000 0.974 465 S CB -0.041 63.179 63.200 0.032 0.000 0.786 465 S HN 0.547 nan 8.310 nan 0.000 0.492 466 R N 0.645 121.169 120.500 0.040 0.000 2.237 466 R HA 0.191 4.536 4.340 0.008 0.000 0.219 466 R C 1.819 178.129 176.300 0.017 0.000 1.080 466 R CA 1.100 57.211 56.100 0.019 0.000 0.995 466 R CB -0.484 29.812 30.300 -0.007 0.000 0.875 466 R HN 0.462 nan 8.270 nan 0.000 0.462 467 L N 0.250 121.491 121.223 0.030 0.000 2.446 467 L HA 0.127 4.472 4.340 0.008 0.000 0.219 467 L C 0.723 177.628 176.870 0.058 0.000 1.116 467 L CA 0.176 55.039 54.840 0.038 0.000 0.844 467 L CB 0.099 42.180 42.059 0.037 0.000 0.970 467 L HN 0.060 nan 8.230 nan 0.000 0.457 468 I N 0.436 121.040 120.570 0.057 0.000 2.365 468 I HA 0.218 4.393 4.170 0.008 0.000 0.291 468 I C -0.585 175.580 176.117 0.081 0.000 1.004 468 I CA -0.332 61.013 61.300 0.075 0.000 1.311 468 I CB 1.640 39.676 38.000 0.059 0.000 1.401 468 I HN -0.274 nan 8.210 nan 0.000 0.491 469 V N 4.947 124.942 119.914 0.134 0.000 2.709 469 V HA 0.325 4.450 4.120 0.008 0.000 0.308 469 V C -0.740 175.440 176.094 0.145 0.000 1.062 469 V CA -0.899 61.456 62.300 0.092 0.000 0.901 469 V CB 2.132 34.011 31.823 0.093 0.000 1.003 469 V HN 0.579 nan 8.190 nan 0.000 0.425 470 D N 2.442 122.876 120.400 0.057 0.000 2.210 470 D HA 0.445 5.090 4.640 0.008 0.000 0.249 470 D C -1.007 175.337 176.300 0.074 0.000 1.062 470 D CA 0.068 54.212 54.000 0.240 0.000 0.891 470 D CB 1.439 42.452 40.800 0.356 0.000 1.186 470 D HN 0.464 nan 8.370 nan 0.000 0.432 471 W N 1.341 122.793 121.300 0.254 0.000 2.619 471 W HA 0.425 5.088 4.660 0.006 0.000 0.327 471 W C 0.205 176.883 176.519 0.264 0.000 1.027 471 W CA -0.839 56.648 57.345 0.237 0.000 1.233 471 W CB 1.297 30.760 29.460 0.006 0.000 1.370 471 W HN -0.081 nan 8.180 nan 0.000 0.453 472 R N 3.124 123.910 120.500 0.478 0.000 2.483 472 R HA 0.497 4.842 4.340 0.008 0.000 0.303 472 R C -1.549 174.916 176.300 0.274 0.000 0.987 472 R CA -0.881 55.333 56.100 0.190 0.000 0.881 472 R CB 1.625 31.919 30.300 -0.011 0.000 1.177 472 R HN 0.179 nan 8.270 nan 0.000 0.451 473 F N 2.897 122.686 119.950 -0.270 0.000 2.469 473 F HA 0.510 5.043 4.527 0.010 0.000 0.332 473 F C -0.314 175.335 175.800 -0.252 0.000 1.103 473 F CA -1.439 56.491 58.000 -0.117 0.000 0.979 473 F CB 1.124 40.040 39.000 -0.141 0.000 1.137 473 F HN 0.297 nan 8.300 nan 0.000 0.463 474 F N 1.262 121.374 119.950 0.269 0.000 2.477 474 F HA 0.653 5.187 4.527 0.011 0.000 0.335 474 F C 0.623 176.606 175.800 0.305 0.000 1.130 474 F CA -1.103 57.048 58.000 0.252 0.000 0.948 474 F CB 1.524 40.716 39.000 0.321 0.000 1.154 474 F HN 0.523 nan 8.300 nan 0.000 0.439 475 G N 2.034 111.057 108.800 0.370 0.000 2.477 475 G HA2 0.637 4.602 3.960 0.008 0.000 0.304 475 G HA3 0.637 4.602 3.960 0.008 0.000 0.304 475 G C -0.897 174.170 174.900 0.278 0.000 1.175 475 G CA -1.041 44.260 45.100 0.336 0.000 0.907 475 G HN 0.711 nan 8.290 nan 0.000 0.509 476 R N -0.713 119.951 120.500 0.273 0.000 2.474 476 R HA 0.663 5.008 4.340 0.008 0.000 0.295 476 R C -0.984 175.397 176.300 0.135 0.000 0.980 476 R CA -0.584 55.599 56.100 0.138 0.000 0.934 476 R CB 1.383 31.783 30.300 0.167 0.000 1.101 476 R HN 0.269 nan 8.270 nan 0.000 0.469 477 T N 2.454 117.056 114.554 0.079 0.000 2.792 477 T HA 0.175 4.530 4.350 0.008 0.000 0.280 477 T C -0.705 174.069 174.700 0.124 0.000 0.990 477 T CA -0.732 61.469 62.100 0.169 0.000 0.960 477 T CB 1.286 70.326 68.868 0.286 0.000 0.939 477 T HN 0.577 nan 8.240 nan 0.000 0.439 478 E N 4.382 124.658 120.200 0.128 0.000 2.384 478 E HA 0.155 4.510 4.350 0.008 0.000 0.266 478 E C -2.144 174.532 176.600 0.126 0.000 1.012 478 E CA -1.544 54.923 56.400 0.111 0.000 0.901 478 E CB 0.322 30.079 29.700 0.096 0.000 0.967 478 E HN 0.313 nan 8.360 nan 0.000 0.435 479 P HA 0.077 nan 4.420 nan 0.000 0.276 479 P C -0.904 176.543 177.300 0.246 0.000 1.243 479 P CA 0.029 63.263 63.100 0.222 0.000 0.768 479 P CB 0.695 32.544 31.700 0.247 0.000 0.856 480 K N 2.567 123.066 120.400 0.165 0.000 2.427 480 K HA 0.173 4.498 4.320 0.008 0.000 0.252 480 K C 0.926 177.376 176.600 -0.250 0.000 0.931 480 K CA -0.700 55.606 56.287 0.033 0.000 0.793 480 K CB 2.482 34.959 32.500 -0.039 0.000 1.211 480 K HN 0.448 nan 8.250 nan 0.000 0.426 481 E N 2.056 121.940 120.200 -0.525 0.000 2.110 481 E HA -0.209 4.146 4.350 0.008 0.000 0.193 481 E C 1.078 177.418 176.600 -0.432 0.000 0.988 481 E CA 1.516 57.334 56.400 -0.970 0.000 0.804 481 E CB 0.445 29.789 29.700 -0.593 0.000 0.745 481 E HN 0.550 nan 8.360 nan 0.000 0.458 482 E N 0.349 120.403 120.200 -0.243 0.000 2.347 482 E HA -0.121 4.234 4.350 0.008 0.000 0.196 482 E C -0.043 176.497 176.600 -0.099 0.000 1.008 482 E CA 0.345 56.659 56.400 -0.143 0.000 0.852 482 E CB -0.257 29.375 29.700 -0.113 0.000 0.783 482 E HN 0.080 nan 8.360 nan 0.000 0.505 483 N N 2.050 120.684 118.700 -0.109 0.000 2.406 483 N HA 0.171 4.916 4.740 0.008 0.000 0.251 483 N C -0.772 174.804 175.510 0.109 0.000 1.069 483 N CA 0.113 53.153 53.050 -0.018 0.000 0.947 483 N CB 1.073 39.511 38.487 -0.082 0.000 1.111 483 N HN 0.122 nan 8.380 nan 0.000 0.497 484 K N 1.210 121.723 120.400 0.188 0.000 2.385 484 K HA 0.491 4.816 4.320 0.008 0.000 0.248 484 K C -1.049 175.700 176.600 0.249 0.000 0.955 484 K CA -0.949 55.468 56.287 0.217 0.000 0.816 484 K CB 2.424 35.059 32.500 0.225 0.000 1.250 484 K HN 0.180 nan 8.250 nan 0.000 0.434 485 L N 3.829 125.143 121.223 0.152 0.000 2.316 485 L HA 0.539 4.884 4.340 0.008 0.000 0.280 485 L C -1.280 175.491 176.870 -0.164 0.000 1.006 485 L CA -0.120 54.637 54.840 -0.138 0.000 0.836 485 L CB 0.541 42.525 42.059 -0.126 0.000 1.221 485 L HN 0.705 nan 8.230 nan 0.000 0.418 486 W N 3.557 124.561 121.300 -0.494 0.000 2.967 486 W HA 0.687 5.353 4.660 0.010 0.000 0.342 486 W C -2.102 173.933 176.519 -0.807 0.000 1.162 486 W CA -1.228 55.865 57.345 -0.420 0.000 1.085 486 W CB 0.910 30.294 29.460 -0.128 0.000 1.460 486 W HN 0.324 nan 8.180 nan 0.000 0.584 487 F N 1.334 121.464 119.950 0.299 0.000 2.547 487 F HA 0.321 4.853 4.527 0.009 0.000 0.316 487 F C 0.728 176.688 175.800 0.267 0.000 1.121 487 F CA -0.959 57.101 58.000 0.101 0.000 0.911 487 F CB 2.089 41.126 39.000 0.062 0.000 1.179 487 F HN 0.263 nan 8.300 nan 0.000 0.443 488 S N 1.148 116.992 115.700 0.239 0.000 2.560 488 S HA 0.033 4.508 4.470 0.008 0.000 0.284 488 S C 0.794 175.535 174.600 0.235 0.000 1.327 488 S CA -0.414 57.955 58.200 0.282 0.000 1.055 488 S CB 0.346 63.621 63.200 0.125 0.000 0.868 488 S HN 0.703 nan 8.310 nan 0.000 0.506 489 D N 2.990 123.516 120.400 0.209 0.000 2.340 489 D HA 0.021 4.666 4.640 0.008 0.000 0.220 489 D C 1.093 177.452 176.300 0.098 0.000 1.039 489 D CA 0.380 54.459 54.000 0.133 0.000 0.866 489 D CB 0.068 40.929 40.800 0.102 0.000 0.913 489 D HN 0.706 nan 8.370 nan 0.000 0.523 490 K N -0.425 120.038 120.400 0.104 0.000 2.443 490 K HA 0.130 4.455 4.320 0.008 0.000 0.200 490 K C 0.437 177.077 176.600 0.067 0.000 1.278 490 K CA -0.283 56.049 56.287 0.076 0.000 0.925 490 K CB 0.450 32.993 32.500 0.070 0.000 1.225 490 K HN -0.072 nan 8.250 nan 0.000 0.514 491 I N 4.086 124.699 120.570 0.071 0.000 2.472 491 I HA 0.154 4.329 4.170 0.008 0.000 0.290 491 I C 0.387 176.537 176.117 0.057 0.000 1.016 491 I CA -0.043 61.289 61.300 0.053 0.000 1.348 491 I CB 1.076 39.099 38.000 0.038 0.000 1.417 491 I HN 0.278 nan 8.210 nan 0.000 0.521 492 T N 1.221 115.805 114.554 0.049 0.000 2.908 492 T HA 0.587 4.942 4.350 0.008 0.000 0.290 492 T C -0.364 174.370 174.700 0.056 0.000 1.034 492 T CA -0.937 61.198 62.100 0.058 0.000 1.010 492 T CB 2.322 71.219 68.868 0.048 0.000 1.068 492 T HN 0.543 nan 8.240 nan 0.000 0.481 493 D N 0.894 121.343 120.400 0.083 0.000 2.478 493 D HA 0.445 5.090 4.640 0.008 0.000 0.274 493 D C 1.597 177.934 176.300 0.063 0.000 1.234 493 D CA -0.443 53.612 54.000 0.092 0.000 1.069 493 D CB 0.024 40.918 40.800 0.157 0.000 1.113 493 D HN 0.647 nan 8.370 nan 0.000 0.571 494 A N -1.310 121.536 122.820 0.044 0.000 2.125 494 A HA -0.112 4.213 4.320 0.008 0.000 0.219 494 A C 1.183 178.592 177.584 -0.291 0.000 1.156 494 A CA 0.866 52.832 52.037 -0.118 0.000 0.671 494 A CB -0.958 17.937 19.000 -0.175 0.000 0.794 494 A HN 0.561 nan 8.150 nan 0.000 0.459 495 Y N -1.494 118.828 120.300 0.036 0.000 2.607 495 Y HA 0.247 4.801 4.550 0.008 0.000 0.266 495 Y C 0.804 176.725 175.900 0.036 0.000 1.178 495 Y CA -0.089 58.036 58.100 0.041 0.000 1.226 495 Y CB -0.198 38.275 38.460 0.022 0.000 1.144 495 Y HN 0.452 nan 8.280 nan 0.000 0.528 496 N N -0.238 118.528 118.700 0.109 0.000 2.776 496 N HA -0.163 4.582 4.740 0.008 0.000 0.250 496 N C -0.680 174.871 175.510 0.069 0.000 1.112 496 N CA 0.531 53.621 53.050 0.067 0.000 0.733 496 N CB -0.484 38.024 38.487 0.036 0.000 1.097 496 N HN 0.118 nan 8.380 nan 0.000 0.558 497 M N -0.181 119.478 119.600 0.099 0.000 2.654 497 M HA 0.468 4.953 4.480 0.008 0.000 0.310 497 M C -2.199 174.157 176.300 0.093 0.000 1.211 497 M CA -1.969 53.376 55.300 0.075 0.000 0.947 497 M CB 0.705 33.351 32.600 0.078 0.000 1.647 497 M HN -0.244 nan 8.290 nan 0.000 0.481 498 P HA 0.043 nan 4.420 nan 0.000 0.267 498 P C -0.632 176.809 177.300 0.235 0.000 1.209 498 P CA -0.033 63.153 63.100 0.144 0.000 0.763 498 P CB 0.159 31.947 31.700 0.148 0.000 0.816 499 Q N 6.887 126.777 119.800 0.150 0.000 2.255 499 Q HA 0.120 4.465 4.340 0.008 0.000 0.280 499 Q C -2.175 173.807 176.000 -0.031 0.000 1.068 499 Q CA -1.696 54.151 55.803 0.073 0.000 0.911 499 Q CB -0.335 28.400 28.738 -0.005 0.000 1.157 499 Q HN 0.314 nan 8.270 nan 0.000 0.380 500 P HA 0.069 nan 4.420 nan 0.000 0.268 500 P C -1.023 175.809 177.300 -0.779 0.000 1.205 500 P CA -0.031 62.700 63.100 -0.615 0.000 0.771 500 P CB 0.966 32.378 31.700 -0.480 0.000 0.858 501 T N 2.757 116.614 114.554 -1.161 0.000 2.952 501 T HA 0.514 4.869 4.350 0.008 0.000 0.305 501 T C -0.652 173.379 174.700 -1.114 0.000 1.064 501 T CA -0.123 61.308 62.100 -1.114 0.000 1.008 501 T CB 0.605 68.508 68.868 -1.608 0.000 1.078 501 T HN 0.050 nan 8.240 nan 0.000 0.459 502 F N 1.859 121.528 119.950 -0.468 0.000 2.422 502 F HA 0.530 5.062 4.527 0.008 0.000 0.333 502 F C 0.592 176.336 175.800 -0.094 0.000 1.095 502 F CA -0.935 56.913 58.000 -0.254 0.000 1.038 502 F CB 1.185 40.089 39.000 -0.160 0.000 1.156 502 F HN 0.400 nan 8.300 nan 0.000 0.483 503 D N 3.365 123.928 120.400 0.272 0.000 2.408 503 D HA 0.221 4.866 4.640 0.008 0.000 0.261 503 D C -1.777 174.652 176.300 0.216 0.000 1.190 503 D CA -0.096 54.053 54.000 0.249 0.000 0.910 503 D CB 0.279 41.261 40.800 0.304 0.000 1.097 503 D HN 0.287 nan 8.370 nan 0.000 0.522 504 F N 3.258 123.203 119.950 -0.009 0.000 2.561 504 F HA 0.558 5.090 4.527 0.008 0.000 0.313 504 F C -1.050 174.642 175.800 -0.180 0.000 1.126 504 F CA -0.595 57.332 58.000 -0.121 0.000 0.918 504 F CB 1.341 40.205 39.000 -0.226 0.000 1.199 504 F HN 0.016 nan 8.300 nan 0.000 0.444 505 R N 4.387 124.404 120.500 -0.805 0.000 2.725 505 R HA 0.367 4.712 4.340 0.008 0.000 0.277 505 R C -1.598 174.088 176.300 -1.023 0.000 0.987 505 R CA -0.978 54.745 56.100 -0.629 0.000 0.901 505 R CB 1.831 31.962 30.300 -0.281 0.000 1.207 505 R HN 0.557 nan 8.270 nan 0.000 0.463 506 F N 2.808 122.541 119.950 -0.362 0.000 2.578 506 F HA 0.164 4.695 4.527 0.007 0.000 0.381 506 F C -1.344 174.331 175.800 -0.207 0.000 1.069 506 F CA -1.196 56.668 58.000 -0.225 0.000 1.231 506 F CB -0.154 38.825 39.000 -0.034 0.000 1.086 506 F HN 0.127 nan 8.300 nan 0.000 0.564 507 P HA 0.018 nan 4.420 nan 0.000 0.266 507 P C 0.065 177.374 177.300 0.015 0.000 1.195 507 P CA 0.165 63.243 63.100 -0.035 0.000 0.768 507 P CB 0.853 32.544 31.700 -0.015 0.000 0.838 508 A N 3.223 126.039 122.820 -0.007 0.000 2.066 508 A HA 0.066 4.391 4.320 0.008 0.000 0.218 508 A C 1.682 179.271 177.584 0.009 0.000 1.157 508 A CA 1.842 53.879 52.037 -0.001 0.000 0.670 508 A CB -1.040 17.952 19.000 -0.014 0.000 0.804 508 A HN 0.622 nan 8.150 nan 0.000 0.453 509 G N -1.076 107.735 108.800 0.019 0.000 2.964 509 G HA2 0.122 4.087 3.960 0.008 0.000 0.191 509 G HA3 0.122 4.087 3.960 0.008 0.000 0.191 509 G C 1.319 176.244 174.900 0.041 0.000 1.978 509 G CA 0.339 45.455 45.100 0.027 0.000 0.861 509 G HN 0.311 nan 8.290 nan 0.000 0.584 510 R N -0.481 120.051 120.500 0.052 0.000 2.103 510 R HA -0.109 4.236 4.340 0.008 0.000 0.242 510 R C 2.614 178.965 176.300 0.085 0.000 1.142 510 R CA 2.157 58.298 56.100 0.069 0.000 0.960 510 R CB -0.670 29.674 30.300 0.073 0.000 0.858 510 R HN 0.418 nan 8.270 nan 0.000 0.439 511 T N -0.128 114.478 114.554 0.087 0.000 2.777 511 T HA -0.074 4.281 4.350 0.008 0.000 0.266 511 T C 1.910 176.651 174.700 0.069 0.000 1.040 511 T CA 1.666 63.831 62.100 0.108 0.000 1.141 511 T CB -0.116 68.837 68.868 0.141 0.000 0.868 511 T HN 0.269 nan 8.240 nan 0.000 0.444 512 S N 0.719 116.444 115.700 0.043 0.000 2.355 512 S HA -0.037 4.438 4.470 0.008 0.000 0.222 512 S C 2.029 176.629 174.600 -0.000 0.000 1.031 512 S CA 0.970 59.165 58.200 -0.009 0.000 0.993 512 S CB -0.184 63.008 63.200 -0.013 0.000 0.859 512 S HN 0.480 nan 8.310 nan 0.000 0.453 513 K N 1.299 121.719 120.400 0.033 0.000 2.057 513 K HA -0.109 4.216 4.320 0.008 0.000 0.207 513 K C 1.878 178.529 176.600 0.085 0.000 1.049 513 K CA 1.340 57.655 56.287 0.048 0.000 0.931 513 K CB -0.106 32.427 32.500 0.055 0.000 0.714 513 K HN 0.362 nan 8.250 nan 0.000 0.440 514 E N 0.034 120.310 120.200 0.127 0.000 2.110 514 E HA -0.175 4.180 4.350 0.008 0.000 0.193 514 E C 1.972 178.653 176.600 0.135 0.000 0.988 514 E CA 0.960 57.495 56.400 0.226 0.000 0.804 514 E CB -0.094 29.775 29.700 0.281 0.000 0.745 514 E HN 0.439 nan 8.360 nan 0.000 0.458 515 A N 1.419 124.282 122.820 0.073 0.000 1.902 515 A HA -0.244 4.081 4.320 0.008 0.000 0.217 515 A C 2.092 179.741 177.584 0.109 0.000 1.181 515 A CA 1.781 53.854 52.037 0.061 0.000 0.623 515 A CB -0.359 18.618 19.000 -0.039 0.000 0.818 515 A HN 0.130 nan 8.150 nan 0.000 0.443 516 E N 0.448 120.691 120.200 0.072 0.000 2.107 516 E HA -0.137 4.218 4.350 0.008 0.000 0.191 516 E C 1.289 177.868 176.600 -0.035 0.000 0.982 516 E CA 1.427 57.873 56.400 0.076 0.000 0.809 516 E CB -0.302 29.415 29.700 0.029 0.000 0.756 516 E HN 0.506 nan 8.360 nan 0.000 0.459 517 D N -0.122 120.251 120.400 -0.045 0.000 2.178 517 D HA -0.170 4.475 4.640 0.008 0.000 0.201 517 D C 1.886 177.935 176.300 -0.419 0.000 0.980 517 D CA 1.081 55.042 54.000 -0.066 0.000 0.842 517 D CB -0.296 40.594 40.800 0.150 0.000 0.948 517 D HN 0.319 nan 8.370 nan 0.000 0.472 518 M N -0.273 118.845 119.600 -0.803 0.000 2.117 518 M HA -0.201 4.284 4.480 0.008 0.000 0.262 518 M C 2.056 177.946 176.300 -0.684 0.000 1.065 518 M CA 1.229 55.735 55.300 -1.323 0.000 1.114 518 M CB 0.007 32.040 32.600 -0.945 0.000 1.361 518 M HN -0.035 nan 8.290 nan 0.000 0.408 519 M N 0.307 119.627 119.600 -0.467 0.000 2.080 519 M HA -0.160 4.325 4.480 0.008 0.000 0.260 519 M C 1.786 177.874 176.300 -0.354 0.000 1.068 519 M CA 2.345 57.367 55.300 -0.464 0.000 1.109 519 M CB -0.914 31.466 32.600 -0.367 0.000 1.342 519 M HN 0.256 nan 8.290 nan 0.000 0.405 520 T N 0.035 114.449 114.554 -0.234 0.000 2.746 520 T HA -0.170 4.185 4.350 0.008 0.000 0.267 520 T C 1.482 176.115 174.700 -0.111 0.000 1.039 520 T CA 1.818 63.838 62.100 -0.133 0.000 1.142 520 T CB -0.591 68.242 68.868 -0.059 0.000 0.866 520 T HN 0.532 nan 8.240 nan 0.000 0.444 521 D N 0.529 120.861 120.400 -0.114 0.000 2.117 521 D HA -0.074 4.571 4.640 0.008 0.000 0.197 521 D C 2.077 178.379 176.300 0.004 0.000 0.987 521 D CA 0.918 54.972 54.000 0.090 0.000 0.829 521 D CB -0.233 40.748 40.800 0.301 0.000 0.961 521 D HN 0.285 nan 8.370 nan 0.000 0.460 522 M N -0.495 118.852 119.600 -0.423 0.000 2.117 522 M HA -0.189 4.296 4.480 0.008 0.000 0.262 522 M C 1.971 177.993 176.300 -0.463 0.000 1.065 522 M CA 1.421 56.184 55.300 -0.895 0.000 1.114 522 M CB -0.154 31.694 32.600 -1.253 0.000 1.361 522 M HN 0.204 nan 8.290 nan 0.000 0.408 523 C N -0.487 118.639 119.300 -0.290 0.000 2.429 523 C HA -0.095 4.370 4.460 0.008 0.000 0.277 523 C C 2.660 177.563 174.990 -0.145 0.000 1.262 523 C CA 0.777 59.725 59.018 -0.116 0.000 1.733 523 C CB -0.956 26.765 27.740 -0.031 0.000 2.010 523 C HN 0.498 nan 8.230 nan 0.000 0.483 524 V N 0.624 120.485 119.914 -0.089 0.000 2.270 524 V HA -0.295 3.830 4.120 0.008 0.000 0.245 524 V C 2.398 178.483 176.094 -0.015 0.000 1.043 524 V CA 2.357 64.638 62.300 -0.033 0.000 1.014 524 V CB -0.653 31.201 31.823 0.052 0.000 0.645 524 V HN 0.584 nan 8.190 nan 0.000 0.447 525 M N 0.675 120.316 119.600 0.068 0.000 2.156 525 M HA -0.146 4.339 4.480 0.008 0.000 0.264 525 M C 2.440 178.659 176.300 -0.134 0.000 1.067 525 M CA 2.166 57.591 55.300 0.209 0.000 1.131 525 M CB -0.181 32.696 32.600 0.461 0.000 1.368 525 M HN 0.547 nan 8.290 nan 0.000 0.416 526 S N 0.499 115.804 115.700 -0.657 0.000 2.419 526 S HA -0.059 4.416 4.470 0.008 0.000 0.233 526 S C 1.952 176.159 174.600 -0.655 0.000 1.016 526 S CA 0.969 58.330 58.200 -1.399 0.000 0.974 526 S CB -0.838 61.305 63.200 -1.762 0.000 0.786 526 S HN 0.567 nan 8.310 nan 0.000 0.492 527 A N 1.967 124.519 122.820 -0.447 0.000 2.067 527 A HA 0.023 4.348 4.320 0.008 0.000 0.219 527 A C 2.164 179.630 177.584 -0.196 0.000 1.158 527 A CA 1.194 53.023 52.037 -0.346 0.000 0.661 527 A CB -0.492 18.329 19.000 -0.298 0.000 0.801 527 A HN 0.620 nan 8.150 nan 0.000 0.452 528 K N -0.608 119.723 120.400 -0.115 0.000 2.288 528 K HA 0.012 4.337 4.320 0.008 0.000 0.201 528 K C 1.216 177.814 176.600 -0.003 0.000 1.048 528 K CA 0.778 57.041 56.287 -0.039 0.000 0.956 528 K CB -0.033 32.484 32.500 0.028 0.000 0.746 528 K HN 0.398 nan 8.250 nan 0.000 0.461 529 I N -0.514 120.067 120.570 0.019 0.000 2.810 529 I HA 0.127 4.302 4.170 0.008 0.000 0.262 529 I C 1.170 177.307 176.117 0.032 0.000 1.131 529 I CA 0.682 62.042 61.300 0.099 0.000 1.453 529 I CB -0.285 37.916 38.000 0.335 0.000 1.161 529 I HN 0.104 nan 8.210 nan 0.000 0.444 530 G N -0.750 108.015 108.800 -0.058 0.000 2.356 530 G HA2 0.460 4.425 3.960 0.008 0.000 0.294 530 G HA3 0.460 4.425 3.960 0.008 0.000 0.294 530 G C -0.560 174.208 174.900 -0.221 0.000 1.423 530 G CA -0.195 44.852 45.100 -0.089 0.000 0.806 530 G HN 0.326 nan 8.290 nan 0.000 0.527 531 G N -1.148 107.518 108.800 -0.224 0.000 2.599 531 G HA2 0.535 4.500 3.960 0.008 0.000 0.264 531 G HA3 0.535 4.500 3.960 0.008 0.000 0.264 531 G C -0.288 174.446 174.900 -0.277 0.000 1.200 531 G CA -0.489 44.391 45.100 -0.367 0.000 0.896 531 G HN 0.440 nan 8.290 nan 0.000 0.536 532 F N -0.896 118.967 119.950 -0.145 0.000 2.459 532 F HA 0.254 4.788 4.527 0.010 0.000 0.346 532 F C 0.676 176.419 175.800 -0.095 0.000 1.128 532 F CA -0.806 57.102 58.000 -0.152 0.000 1.268 532 F CB 0.803 39.700 39.000 -0.172 0.000 1.161 532 F HN 0.165 nan 8.300 nan 0.000 0.583 533 L N 5.555 126.850 121.223 0.120 0.000 2.361 533 L HA 0.414 4.759 4.340 0.008 0.000 0.278 533 L C -2.443 174.452 176.870 0.041 0.000 1.113 533 L CA -1.938 52.938 54.840 0.060 0.000 0.849 533 L CB 0.102 42.189 42.059 0.046 0.000 1.155 533 L HN 0.273 nan 8.230 nan 0.000 0.452 534 P HA 0.228 nan 4.420 nan 0.000 0.265 534 P C 0.564 177.869 177.300 0.009 0.000 1.193 534 P CA 1.016 64.127 63.100 0.019 0.000 0.765 534 P CB 0.788 32.499 31.700 0.018 0.000 0.823 535 G N 1.941 110.738 108.800 -0.005 0.000 2.217 535 G HA2 -0.224 3.741 3.960 0.008 0.000 0.246 535 G HA3 -0.224 3.741 3.960 0.008 0.000 0.246 535 G C 0.447 175.348 174.900 0.002 0.000 0.990 535 G CA 0.176 45.278 45.100 0.004 0.000 0.627 535 G HN 0.515 nan 8.290 nan 0.000 0.522 536 S N 0.903 116.579 115.700 -0.040 0.000 2.474 536 S HA 0.523 4.998 4.470 0.008 0.000 0.224 536 S C 0.410 174.857 174.600 -0.256 0.000 1.209 536 S CA -0.551 57.584 58.200 -0.109 0.000 1.212 536 S CB 0.306 63.441 63.200 -0.108 0.000 1.137 536 S HN 0.464 nan 8.310 nan 0.000 0.446 537 L N 2.600 123.673 121.223 -0.250 0.000 2.464 537 L HA 0.348 4.693 4.340 0.008 0.000 0.264 537 L C -2.016 174.519 176.870 -0.559 0.000 1.199 537 L CA -2.171 52.400 54.840 -0.449 0.000 0.818 537 L CB 0.009 41.886 42.059 -0.304 0.000 1.102 537 L HN 0.083 nan 8.230 nan 0.000 0.473 538 P HA 0.007 nan 4.420 nan 0.000 0.263 538 P C -1.415 175.629 177.300 -0.426 0.000 1.195 538 P CA 0.123 62.819 63.100 -0.672 0.000 0.762 538 P CB 0.498 31.721 31.700 -0.796 0.000 0.799 539 Q N 1.802 121.391 119.800 -0.352 0.000 2.472 539 Q HA 0.476 4.821 4.340 0.008 0.000 0.281 539 Q C -1.406 174.425 176.000 -0.283 0.000 0.997 539 Q CA -0.898 54.773 55.803 -0.222 0.000 0.828 539 Q CB 0.713 29.392 28.738 -0.098 0.000 1.443 539 Q HN 0.088 nan 8.270 nan 0.000 0.390 540 F N 1.531 121.399 119.950 -0.137 0.000 2.429 540 F HA 0.297 4.827 4.527 0.006 0.000 0.348 540 F C 0.618 176.343 175.800 -0.124 0.000 1.109 540 F CA -0.226 57.687 58.000 -0.145 0.000 1.232 540 F CB 0.905 39.818 39.000 -0.145 0.000 1.157 540 F HN 0.410 nan 8.300 nan 0.000 0.564 541 M N 1.250 120.833 119.600 -0.028 0.000 2.291 541 M HA 0.214 4.699 4.480 0.008 0.000 0.324 541 M C -0.018 176.253 176.300 -0.047 0.000 1.148 541 M CA -0.924 54.307 55.300 -0.114 0.000 1.104 541 M CB 0.540 32.911 32.600 -0.382 0.000 1.483 541 M HN 0.441 nan 8.290 nan 0.000 0.467 542 E N 2.035 122.193 120.200 -0.070 0.000 2.452 542 E HA 0.090 4.445 4.350 0.008 0.000 0.261 542 E C -2.226 174.351 176.600 -0.038 0.000 0.987 542 E CA -0.743 55.636 56.400 -0.034 0.000 0.926 542 E CB -0.336 29.338 29.700 -0.043 0.000 0.934 542 E HN 0.234 nan 8.360 nan 0.000 0.452 543 P HA 0.045 nan 4.420 nan 0.000 0.262 543 P C 0.547 177.744 177.300 -0.171 0.000 1.199 543 P CA 0.965 64.056 63.100 -0.015 0.000 0.763 543 P CB 0.605 32.288 31.700 -0.030 0.000 0.790 544 G N 2.673 111.372 108.800 -0.169 0.000 2.175 544 G HA2 -0.302 3.663 3.960 0.008 0.000 0.244 544 G HA3 -0.302 3.663 3.960 0.008 0.000 0.244 544 G C 0.700 175.530 174.900 -0.117 0.000 0.982 544 G CA 0.074 45.044 45.100 -0.216 0.000 0.641 544 G HN 0.513 nan 8.290 nan 0.000 0.527 545 L N 0.875 122.034 121.223 -0.108 0.000 2.191 545 L HA 0.174 4.519 4.340 0.008 0.000 0.212 545 L C 2.765 179.620 176.870 -0.024 0.000 1.103 545 L CA 2.342 57.138 54.840 -0.072 0.000 0.769 545 L CB -0.303 41.651 42.059 -0.174 0.000 0.908 545 L HN 0.427 nan 8.230 nan 0.000 0.438 546 V N -0.258 119.597 119.914 -0.099 0.000 2.626 546 V HA -0.142 3.983 4.120 0.008 0.000 0.252 546 V C 1.512 177.534 176.094 -0.121 0.000 1.067 546 V CA 0.975 63.209 62.300 -0.111 0.000 1.081 546 V CB -0.265 31.478 31.823 -0.132 0.000 0.686 546 V HN 0.473 nan 8.190 nan 0.000 0.468 547 L N 0.308 121.531 121.223 -0.000 0.000 3.597 547 L HA -0.245 4.100 4.340 0.008 0.000 0.440 547 L C 0.270 177.331 176.870 0.320 0.000 1.277 547 L CA 0.860 55.774 54.840 0.123 0.000 0.852 547 L CB -2.473 39.684 42.059 0.163 0.000 1.708 547 L HN 0.580 nan 8.230 nan 0.000 0.885 548 H N -0.826 118.339 119.070 0.159 0.000 2.549 548 H HA 0.259 4.821 4.556 0.010 0.000 0.253 548 H C 0.491 175.943 175.328 0.208 0.000 1.170 548 H CA -1.091 55.089 56.048 0.219 0.000 0.943 548 H CB 0.783 30.708 29.762 0.273 0.000 1.849 548 H HN 0.195 nan 8.280 nan 0.000 0.603 549 L N 2.109 123.470 121.223 0.231 0.000 2.540 549 L HA 0.181 4.526 4.340 0.008 0.000 0.276 549 L C 0.602 177.602 176.870 0.217 0.000 1.212 549 L CA 0.811 55.741 54.840 0.149 0.000 0.893 549 L CB 0.292 42.404 42.059 0.087 0.000 1.138 549 L HN 0.300 nan 8.230 nan 0.000 0.491 550 G N 1.967 110.906 108.800 0.233 0.000 2.730 550 G HA2 0.541 4.506 3.960 0.008 0.000 0.289 550 G HA3 0.541 4.506 3.960 0.008 0.000 0.289 550 G C 0.294 175.294 174.900 0.168 0.000 1.341 550 G CA -0.313 44.938 45.100 0.251 0.000 0.932 550 G HN 1.345 nan 8.290 nan 0.000 0.481 551 G N -1.219 107.644 108.800 0.105 0.000 2.148 551 G HA2 -0.224 3.741 3.960 0.008 0.000 0.254 551 G HA3 -0.224 3.741 3.960 0.008 0.000 0.254 551 G C 1.291 176.253 174.900 0.102 0.000 0.981 551 G CA 1.571 46.739 45.100 0.113 0.000 0.670 551 G HN 1.884 nan 8.290 nan 0.000 0.528 552 T N -2.185 112.383 114.554 0.025 0.000 3.035 552 T HA 0.132 4.487 4.350 0.008 0.000 0.268 552 T C 1.070 175.857 174.700 0.145 0.000 1.109 552 T CA 1.809 63.962 62.100 0.090 0.000 1.119 552 T CB -0.264 68.661 68.868 0.094 0.000 0.900 552 T HN 1.505 nan 8.240 nan 0.000 0.503 553 H N -0.170 118.969 119.070 0.114 0.000 2.695 553 H HA 0.461 5.022 4.556 0.008 0.000 0.222 553 H C -0.113 175.254 175.328 0.066 0.000 1.412 553 H CA -1.323 54.768 56.048 0.072 0.000 1.347 553 H CB -0.321 29.449 29.762 0.013 0.000 1.858 553 H HN 0.353 nan 8.280 nan 0.000 0.519 554 R N 0.720 121.304 120.500 0.141 0.000 2.582 554 R HA 0.320 4.665 4.340 0.008 0.000 0.271 554 R C -0.354 176.003 176.300 0.096 0.000 1.078 554 R CA -0.753 55.400 56.100 0.089 0.000 1.127 554 R CB 1.022 31.367 30.300 0.076 0.000 1.038 554 R HN 0.465 nan 8.270 nan 0.000 0.500 555 M N 1.440 121.072 119.600 0.054 0.000 2.274 555 M HA 0.429 4.914 4.480 0.008 0.000 0.344 555 M C -0.472 175.823 176.300 -0.008 0.000 1.161 555 M CA 0.288 55.597 55.300 0.015 0.000 1.126 555 M CB 1.496 34.080 32.600 -0.027 0.000 1.522 555 M HN 0.955 nan 8.290 nan 0.000 0.461 556 G N 2.156 110.957 108.800 0.002 0.000 2.548 556 G HA2 0.405 4.370 3.960 0.008 0.000 0.301 556 G HA3 0.405 4.370 3.960 0.008 0.000 0.301 556 G C -0.907 173.973 174.900 -0.034 0.000 1.349 556 G CA -0.668 44.381 45.100 -0.086 0.000 0.792 556 G HN 0.665 nan 8.290 nan 0.000 0.481 557 F N -0.062 119.992 119.950 0.172 0.000 2.234 557 F HA 0.279 4.811 4.527 0.009 0.000 0.296 557 F C 1.055 176.993 175.800 0.230 0.000 1.089 557 F CA 1.013 59.120 58.000 0.178 0.000 1.343 557 F CB 0.419 39.480 39.000 0.101 0.000 1.040 557 F HN 0.370 nan 8.300 nan 0.000 0.498 558 D N -1.014 119.550 120.400 0.273 0.000 2.757 558 D HA 0.124 4.769 4.640 0.008 0.000 0.249 558 D C 0.690 176.817 176.300 -0.289 0.000 1.168 558 D CA -0.260 53.732 54.000 -0.014 0.000 0.870 558 D CB 1.366 42.185 40.800 0.030 0.000 1.411 558 D HN 0.079 nan 8.370 nan 0.000 0.525 559 E N 3.178 122.854 120.200 -0.873 0.000 2.058 559 E HA -0.265 4.090 4.350 0.008 0.000 0.194 559 E C 1.297 177.713 176.600 -0.306 0.000 0.997 559 E CA 1.217 57.105 56.400 -0.854 0.000 0.801 559 E CB 0.279 29.347 29.700 -1.053 0.000 0.746 559 E HN 0.421 nan 8.360 nan 0.000 0.450 560 K N 0.289 120.555 120.400 -0.223 0.000 2.044 560 K HA -0.144 4.181 4.320 0.008 0.000 0.204 560 K C 2.241 178.808 176.600 -0.056 0.000 1.045 560 K CA 1.261 57.488 56.287 -0.099 0.000 0.951 560 K CB -0.066 32.390 32.500 -0.073 0.000 0.738 560 K HN 0.073 nan 8.250 nan 0.000 0.443 561 E N 0.113 120.286 120.200 -0.046 0.000 2.150 561 E HA -0.170 4.185 4.350 0.008 0.000 0.193 561 E C 0.486 177.083 176.600 -0.005 0.000 0.985 561 E CA 1.288 57.683 56.400 -0.008 0.000 0.814 561 E CB 0.231 29.939 29.700 0.014 0.000 0.752 561 E HN 0.289 nan 8.360 nan 0.000 0.466 562 D N -0.007 120.382 120.400 -0.017 0.000 2.395 562 D HA 0.051 4.696 4.640 0.008 0.000 0.213 562 D C -0.619 175.620 176.300 -0.102 0.000 1.110 562 D CA 0.013 54.000 54.000 -0.021 0.000 0.835 562 D CB 0.055 40.882 40.800 0.044 0.000 0.965 562 D HN 0.190 nan 8.370 nan 0.000 0.505 563 N N 0.589 119.225 118.700 -0.107 0.000 2.696 563 N HA -0.186 4.559 4.740 0.008 0.000 0.256 563 N C -0.205 175.227 175.510 -0.130 0.000 1.031 563 N CA 0.535 53.495 53.050 -0.151 0.000 0.730 563 N CB -1.494 36.770 38.487 -0.371 0.000 0.894 563 N HN 0.399 nan 8.380 nan 0.000 0.544 564 C N -3.532 115.765 119.300 -0.006 0.000 3.318 564 C HA 0.785 5.249 4.460 0.008 0.000 0.329 564 C C 1.354 176.500 174.990 0.259 0.000 1.449 564 C CA -0.594 58.490 59.018 0.110 0.000 1.397 564 C CB 1.577 29.404 27.740 0.144 0.000 1.810 564 C HN 0.469 nan 8.230 nan 0.000 0.449 565 C N 0.198 119.690 119.300 0.319 0.000 2.937 565 C HA 0.501 4.966 4.460 0.008 0.000 0.426 565 C C 0.624 175.745 174.990 0.219 0.000 1.321 565 C CA 0.652 59.863 59.018 0.322 0.000 2.082 565 C CB -0.214 27.634 27.740 0.181 0.000 2.834 565 C HN 0.969 nan 8.230 nan 0.000 0.593 566 V N 1.369 121.302 119.914 0.031 0.000 2.914 566 V HA 0.690 4.815 4.120 0.008 0.000 0.314 566 V C -0.718 175.079 176.094 -0.495 0.000 1.084 566 V CA -0.668 61.418 62.300 -0.356 0.000 0.963 566 V CB 1.476 33.190 31.823 -0.181 0.000 1.025 566 V HN 0.418 nan 8.190 nan 0.000 0.432 567 N N 1.217 119.426 118.700 -0.819 0.000 2.366 567 N HA 0.208 4.953 4.740 0.008 0.000 0.277 567 N C 1.043 176.409 175.510 -0.241 0.000 1.275 567 N CA 0.304 53.074 53.050 -0.466 0.000 0.964 567 N CB -0.004 38.208 38.487 -0.459 0.000 1.167 567 N HN 0.962 nan 8.380 nan 0.000 0.568 568 T N -4.795 109.659 114.554 -0.165 0.000 3.163 568 T HA 0.020 4.375 4.350 0.008 0.000 0.260 568 T C 0.007 174.629 174.700 -0.131 0.000 1.156 568 T CA 0.533 62.538 62.100 -0.158 0.000 1.072 568 T CB -0.391 68.395 68.868 -0.136 0.000 0.937 568 T HN 0.453 nan 8.240 nan 0.000 0.528 569 D N 0.954 121.271 120.400 -0.138 0.000 2.368 569 D HA 0.205 4.850 4.640 0.008 0.000 0.218 569 D C 0.527 176.823 176.300 -0.006 0.000 1.112 569 D CA 0.021 53.959 54.000 -0.102 0.000 0.834 569 D CB 0.182 40.835 40.800 -0.245 0.000 0.953 569 D HN 0.315 nan 8.370 nan 0.000 0.505 570 S N 0.370 116.038 115.700 -0.053 0.000 3.521 570 S HA -0.264 4.211 4.470 0.008 0.000 0.328 570 S C 0.565 175.164 174.600 -0.000 0.000 1.165 570 S CA 0.515 58.719 58.200 0.006 0.000 0.941 570 S CB -1.326 61.948 63.200 0.123 0.000 0.951 570 S HN 0.476 nan 8.310 nan 0.000 0.539 571 R N 1.049 121.432 120.500 -0.195 0.000 2.349 571 R HA 0.481 4.825 4.340 0.008 0.000 0.299 571 R C -0.079 175.927 176.300 -0.489 0.000 1.027 571 R CA -0.462 55.340 56.100 -0.497 0.000 0.958 571 R CB 0.715 30.657 30.300 -0.598 0.000 1.047 571 R HN 0.128 nan 8.270 nan 0.000 0.468 572 V N 6.022 125.683 119.914 -0.421 0.000 2.529 572 V HA 0.021 4.146 4.120 0.008 0.000 0.292 572 V C 0.154 176.198 176.094 -0.084 0.000 1.028 572 V CA 0.184 62.329 62.300 -0.258 0.000 1.074 572 V CB -0.054 31.598 31.823 -0.285 0.000 0.958 572 V HN 0.570 nan 8.190 nan 0.000 0.481 573 F N 3.993 123.988 119.950 0.074 0.000 2.608 573 F HA 0.411 4.943 4.527 0.008 0.000 0.380 573 F C 1.533 177.451 175.800 0.195 0.000 1.083 573 F CA 1.621 59.683 58.000 0.102 0.000 1.266 573 F CB 0.118 39.171 39.000 0.090 0.000 1.076 573 F HN 0.784 nan 8.300 nan 0.000 0.574 574 G N 2.254 111.224 108.800 0.283 0.000 2.284 574 G HA2 -0.276 3.689 3.960 0.008 0.000 0.230 574 G HA3 -0.276 3.689 3.960 0.008 0.000 0.230 574 G C -0.115 174.741 174.900 -0.075 0.000 1.021 574 G CA -0.549 44.605 45.100 0.090 0.000 0.619 574 G HN 0.425 nan 8.290 nan 0.000 0.510 575 F N 1.254 121.219 119.950 0.026 0.000 2.436 575 F HA 0.667 5.199 4.527 0.009 0.000 0.340 575 F C 1.270 177.044 175.800 -0.043 0.000 1.113 575 F CA -0.947 57.054 58.000 0.002 0.000 1.022 575 F CB 1.777 40.775 39.000 -0.005 0.000 1.128 575 F HN -0.243 nan 8.300 nan 0.000 0.466 576 K N 1.592 122.095 120.400 0.171 0.000 2.228 576 K HA -0.012 4.313 4.320 0.008 0.000 0.202 576 K C 0.777 177.573 176.600 0.326 0.000 1.051 576 K CA 0.757 57.174 56.287 0.217 0.000 0.960 576 K CB -0.131 32.504 32.500 0.224 0.000 0.743 576 K HN 0.654 nan 8.250 nan 0.000 0.458 577 N N -0.025 118.822 118.700 0.245 0.000 2.307 577 N HA 0.049 4.794 4.740 0.008 0.000 0.248 577 N C -0.731 174.843 175.510 0.108 0.000 1.322 577 N CA -0.370 52.840 53.050 0.267 0.000 0.861 577 N CB -0.060 38.647 38.487 0.366 0.000 1.303 577 N HN -0.054 nan 8.380 nan 0.000 0.498 578 L N 0.597 121.683 121.223 -0.229 0.000 2.356 578 L HA 0.724 5.069 4.340 0.008 0.000 0.277 578 L C -1.849 174.629 176.870 -0.652 0.000 0.996 578 L CA -0.622 54.066 54.840 -0.253 0.000 0.822 578 L CB 1.012 42.913 42.059 -0.263 0.000 1.256 578 L HN -0.018 nan 8.230 nan 0.000 0.413 579 F N 4.905 124.769 119.950 -0.144 0.000 2.565 579 F HA 0.669 5.201 4.527 0.008 0.000 0.313 579 F C -0.639 175.008 175.800 -0.256 0.000 1.091 579 F CA -0.702 57.195 58.000 -0.172 0.000 0.915 579 F CB 1.826 40.760 39.000 -0.109 0.000 1.208 579 F HN 0.196 nan 8.300 nan 0.000 0.453 580 L N 1.840 123.025 121.223 -0.063 0.000 2.346 580 L HA 0.919 5.264 4.340 0.008 0.000 0.274 580 L C 0.060 176.931 176.870 0.002 0.000 1.007 580 L CA -0.836 53.896 54.840 -0.180 0.000 0.818 580 L CB 1.980 43.789 42.059 -0.416 0.000 1.284 580 L HN 0.798 nan 8.230 nan 0.000 0.424 581 G N 0.128 108.940 108.800 0.019 0.000 2.519 581 G HA2 0.804 4.769 3.960 0.008 0.000 0.307 581 G HA3 0.804 4.769 3.960 0.008 0.000 0.307 581 G C -0.585 174.428 174.900 0.189 0.000 1.266 581 G CA -0.310 44.903 45.100 0.189 0.000 0.970 581 G HN 0.969 nan 8.290 nan 0.000 0.481 582 G N -1.396 107.511 108.800 0.178 0.000 2.347 582 G HA2 0.100 4.065 3.960 0.008 0.000 0.341 582 G HA3 0.100 4.065 3.960 0.008 0.000 0.341 582 G C 0.729 175.678 174.900 0.081 0.000 1.287 582 G CA 0.089 45.272 45.100 0.138 0.000 0.984 582 G HN 1.159 nan 8.290 nan 0.000 0.526 583 C N 0.475 119.801 119.300 0.044 0.000 2.419 583 C HA 0.210 4.675 4.460 0.008 0.000 0.283 583 C C 2.984 177.944 174.990 -0.049 0.000 1.373 583 C CA 1.795 60.815 59.018 0.003 0.000 1.781 583 C CB -1.236 26.539 27.740 0.059 0.000 1.886 583 C HN 1.253 nan 8.230 nan 0.000 0.520 584 G N 0.947 109.627 108.800 -0.200 0.000 2.559 584 G HA2 -0.174 3.791 3.960 0.008 0.000 0.216 584 G HA3 -0.174 3.791 3.960 0.008 0.000 0.216 584 G C 1.398 175.936 174.900 -0.604 0.000 1.126 584 G CA 0.524 45.254 45.100 -0.616 0.000 0.778 584 G HN 0.546 nan 8.290 nan 0.000 0.543 585 N N 0.390 118.951 118.700 -0.232 0.000 2.331 585 N HA 0.022 4.767 4.740 0.008 0.000 0.180 585 N C 0.879 176.396 175.510 0.012 0.000 1.019 585 N CA 0.163 53.220 53.050 0.012 0.000 0.881 585 N CB 0.084 38.626 38.487 0.091 0.000 0.972 585 N HN 0.301 nan 8.380 nan 0.000 0.435 586 I N 3.233 123.805 120.570 0.004 0.000 2.494 586 I HA 0.032 4.207 4.170 0.008 0.000 0.289 586 I C -1.316 174.883 176.117 0.136 0.000 1.106 586 I CA -0.990 60.337 61.300 0.046 0.000 1.369 586 I CB 1.141 39.102 38.000 -0.066 0.000 1.410 586 I HN -0.064 nan 8.210 nan 0.000 0.523 587 P HA 0.041 nan 4.420 nan 0.000 0.257 587 P C 0.349 177.736 177.300 0.146 0.000 1.241 587 P CA 0.256 63.424 63.100 0.114 0.000 0.816 587 P CB 0.108 31.837 31.700 0.048 0.000 1.150 588 T N -2.303 112.369 114.554 0.197 0.000 2.862 588 T HA 0.661 5.016 4.350 0.008 0.000 0.276 588 T C 0.227 175.063 174.700 0.227 0.000 0.974 588 T CA -0.860 61.347 62.100 0.179 0.000 0.966 588 T CB 1.093 70.042 68.868 0.134 0.000 1.072 588 T HN 0.060 nan 8.240 nan 0.000 0.538 589 A N 1.964 124.850 122.820 0.110 0.000 2.350 589 A HA 0.587 4.912 4.320 0.008 0.000 0.293 589 A C -0.654 176.895 177.584 -0.059 0.000 1.231 589 A CA -0.816 51.233 52.037 0.020 0.000 0.883 589 A CB -1.009 18.021 19.000 0.049 0.000 1.133 589 A HN 0.866 nan 8.150 nan 0.000 0.533 590 Y N -0.287 119.921 120.300 -0.154 0.000 2.477 590 Y HA 0.698 5.253 4.550 0.008 0.000 0.347 590 Y C 0.710 176.465 175.900 -0.243 0.000 0.981 590 Y CA -0.779 57.040 58.100 -0.467 0.000 1.033 590 Y CB 1.362 39.366 38.460 -0.761 0.000 1.245 590 Y HN 0.367 nan 8.280 nan 0.000 0.455 591 G N 0.820 109.507 108.800 -0.188 0.000 2.709 591 G HA2 0.385 4.350 3.960 0.008 0.000 0.208 591 G HA3 0.385 4.350 3.960 0.008 0.000 0.208 591 G C 0.474 175.441 174.900 0.112 0.000 1.129 591 G CA 0.188 45.369 45.100 0.134 0.000 0.793 591 G HN 0.956 nan 8.290 nan 0.000 0.524 592 A N 0.770 123.473 122.820 -0.195 0.000 2.386 592 A HA 0.454 4.779 4.320 0.008 0.000 0.246 592 A C -0.007 177.495 177.584 -0.137 0.000 1.089 592 A CA -0.470 51.361 52.037 -0.344 0.000 0.790 592 A CB 0.033 18.811 19.000 -0.370 0.000 1.042 592 A HN 0.369 nan 8.150 nan 0.000 0.497 593 N N 1.918 120.414 118.700 -0.340 0.000 2.454 593 N HA 0.224 4.969 4.740 0.008 0.000 0.260 593 N C -1.977 173.463 175.510 -0.116 0.000 1.218 593 N CA -0.752 52.092 53.050 -0.343 0.000 0.904 593 N CB 0.457 38.794 38.487 -0.251 0.000 1.065 593 N HN 0.432 nan 8.380 nan 0.000 0.462 594 P HA 0.012 nan 4.420 nan 0.000 0.251 594 P C 0.371 177.581 177.300 -0.151 0.000 1.223 594 P CA 0.593 63.605 63.100 -0.146 0.000 0.796 594 P CB 0.391 31.994 31.700 -0.163 0.000 1.068 595 T N 0.818 115.359 114.554 -0.022 0.000 2.821 595 T HA -0.089 4.266 4.350 0.008 0.000 0.267 595 T C 1.757 176.550 174.700 0.156 0.000 1.046 595 T CA 0.748 62.893 62.100 0.075 0.000 1.139 595 T CB -0.733 68.218 68.868 0.140 0.000 0.871 595 T HN 0.005 nan 8.240 nan 0.000 0.454 596 L N 1.174 122.508 121.223 0.185 0.000 2.079 596 L HA -0.097 4.248 4.340 0.008 0.000 0.210 596 L C 2.468 179.420 176.870 0.137 0.000 1.081 596 L CA 1.708 56.705 54.840 0.262 0.000 0.752 596 L CB -0.973 41.221 42.059 0.225 0.000 0.896 596 L HN 0.182 nan 8.230 nan 0.000 0.433 597 T N -0.551 113.957 114.554 -0.076 0.000 2.777 597 T HA -0.102 4.253 4.350 0.008 0.000 0.266 597 T C 1.908 176.525 174.700 -0.138 0.000 1.040 597 T CA 1.173 63.139 62.100 -0.224 0.000 1.141 597 T CB -0.431 67.893 68.868 -0.907 0.000 0.868 597 T HN 0.513 nan 8.240 nan 0.000 0.444 598 A N 1.601 124.346 122.820 -0.125 0.000 1.908 598 A HA -0.095 4.230 4.320 0.008 0.000 0.218 598 A C 2.316 179.868 177.584 -0.053 0.000 1.181 598 A CA 1.865 53.866 52.037 -0.060 0.000 0.627 598 A CB -0.756 18.229 19.000 -0.024 0.000 0.818 598 A HN 0.517 nan 8.150 nan 0.000 0.445 599 M N -0.199 119.378 119.600 -0.038 0.000 2.080 599 M HA -0.164 4.321 4.480 0.008 0.000 0.260 599 M C 2.189 178.395 176.300 -0.158 0.000 1.068 599 M CA 2.190 57.437 55.300 -0.089 0.000 1.109 599 M CB -0.194 32.356 32.600 -0.083 0.000 1.342 599 M HN 0.399 nan 8.290 nan 0.000 0.405 600 S N 1.228 116.831 115.700 -0.162 0.000 2.370 600 S HA -0.161 4.314 4.470 0.008 0.000 0.226 600 S C 1.747 176.139 174.600 -0.346 0.000 1.033 600 S CA 1.599 59.628 58.200 -0.284 0.000 1.011 600 S CB -0.651 62.318 63.200 -0.386 0.000 0.852 600 S HN 0.523 nan 8.310 nan 0.000 0.457 601 L N 1.124 122.180 121.223 -0.278 0.000 2.042 601 L HA -0.152 4.193 4.340 0.008 0.000 0.210 601 L C 2.772 179.503 176.870 -0.232 0.000 1.076 601 L CA 1.271 55.958 54.840 -0.254 0.000 0.749 601 L CB -0.733 41.245 42.059 -0.135 0.000 0.893 601 L HN 0.331 nan 8.230 nan 0.000 0.432 602 A N 0.149 122.830 122.820 -0.233 0.000 1.969 602 A HA -0.110 4.215 4.320 0.008 0.000 0.218 602 A C 2.231 179.494 177.584 -0.535 0.000 1.169 602 A CA 1.176 52.966 52.037 -0.411 0.000 0.635 602 A CB -0.571 18.176 19.000 -0.421 0.000 0.810 602 A HN 0.338 nan 8.150 nan 0.000 0.445 603 I N -0.334 120.010 120.570 -0.377 0.000 2.208 603 I HA -0.292 3.883 4.170 0.008 0.000 0.245 603 I C 2.529 178.469 176.117 -0.294 0.000 1.097 603 I CA 1.921 63.026 61.300 -0.325 0.000 1.363 603 I CB -0.195 37.632 38.000 -0.289 0.000 1.051 603 I HN 0.370 nan 8.210 nan 0.000 0.413 604 K N 0.464 120.690 120.400 -0.289 0.000 2.057 604 K HA -0.219 4.106 4.320 0.008 0.000 0.207 604 K C 2.365 178.867 176.600 -0.164 0.000 1.049 604 K CA 1.764 57.913 56.287 -0.231 0.000 0.931 604 K CB -0.139 32.193 32.500 -0.280 0.000 0.714 604 K HN 0.136 nan 8.250 nan 0.000 0.440 605 S N 0.157 115.741 115.700 -0.193 0.000 2.365 605 S HA -0.200 4.275 4.470 0.008 0.000 0.225 605 S C 2.063 176.537 174.600 -0.209 0.000 1.039 605 S CA 1.631 59.747 58.200 -0.139 0.000 1.033 605 S CB -0.518 62.644 63.200 -0.064 0.000 0.887 605 S HN 0.580 nan 8.310 nan 0.000 0.447 606 C N 1.360 120.450 119.300 -0.350 0.000 2.422 606 C HA 0.010 4.474 4.460 0.008 0.000 0.279 606 C C 2.493 177.386 174.990 -0.162 0.000 1.305 606 C CA 0.682 59.517 59.018 -0.305 0.000 1.757 606 C CB -1.507 26.016 27.740 -0.361 0.000 1.962 606 C HN 0.682 nan 8.230 nan 0.000 0.499 607 E N -0.467 119.663 120.200 -0.118 0.000 2.077 607 E HA -0.261 4.094 4.350 0.008 0.000 0.193 607 E C 1.845 178.444 176.600 -0.001 0.000 0.989 607 E CA 1.550 57.916 56.400 -0.056 0.000 0.800 607 E CB -0.325 29.339 29.700 -0.059 0.000 0.746 607 E HN 0.830 nan 8.360 nan 0.000 0.452 608 Y N 1.201 121.457 120.300 -0.073 0.000 2.181 608 Y HA -0.212 4.343 4.550 0.008 0.000 0.288 608 Y C 1.952 177.878 175.900 0.043 0.000 1.146 608 Y CA 1.469 59.572 58.100 0.004 0.000 1.164 608 Y CB -0.071 38.428 38.460 0.065 0.000 0.982 608 Y HN -0.052 nan 8.280 nan 0.000 0.515 609 I N 0.267 120.877 120.570 0.067 0.000 2.179 609 I HA -0.329 3.846 4.170 0.008 0.000 0.242 609 I C 2.321 178.484 176.117 0.076 0.000 1.088 609 I CA 1.667 63.001 61.300 0.056 0.000 1.357 609 I CB -0.417 37.400 38.000 -0.305 0.000 1.051 609 I HN 0.144 nan 8.210 nan 0.000 0.409 610 K N 0.432 120.832 120.400 0.000 0.000 2.152 610 K HA -0.220 4.105 4.320 0.008 0.000 0.206 610 K C 1.989 178.642 176.600 0.089 0.000 1.048 610 K CA 1.369 57.726 56.287 0.117 0.000 0.933 610 K CB -0.131 32.414 32.500 0.075 0.000 0.721 610 K HN 0.442 nan 8.250 nan 0.000 0.447 611 Q N -0.319 119.463 119.800 -0.030 0.000 2.451 611 Q HA 0.055 4.400 4.340 0.008 0.000 0.206 611 Q C 0.885 176.776 176.000 -0.181 0.000 0.947 611 Q CA 0.485 56.230 55.803 -0.097 0.000 0.937 611 Q CB 0.428 29.088 28.738 -0.131 0.000 1.025 611 Q HN 0.257 nan 8.270 nan 0.000 0.511 612 N N -1.032 117.534 118.700 -0.223 0.000 2.145 612 N HA 0.158 4.903 4.740 0.008 0.000 0.219 612 N C -0.951 174.198 175.510 -0.601 0.000 1.266 612 N CA 0.241 53.021 53.050 -0.449 0.000 0.902 612 N CB 1.053 39.102 38.487 -0.729 0.000 1.078 612 N HN 0.008 nan 8.380 nan 0.000 0.513 613 F N 0.426 120.408 119.950 0.054 0.000 2.565 613 F HA 0.365 4.898 4.527 0.009 0.000 0.313 613 F C 0.162 176.092 175.800 0.217 0.000 1.091 613 F CA -0.650 57.437 58.000 0.145 0.000 0.915 613 F CB 1.926 41.029 39.000 0.172 0.000 1.208 613 F HN -0.389 nan 8.300 nan 0.000 0.453 614 T N 3.710 118.443 114.554 0.299 0.000 2.767 614 T HA 0.416 4.771 4.350 0.008 0.000 0.284 614 T C -2.577 172.128 174.700 0.008 0.000 0.973 614 T CA -1.424 60.737 62.100 0.101 0.000 0.996 614 T CB 1.151 70.043 68.868 0.041 0.000 0.927 614 T HN 0.125 nan 8.240 nan 0.000 0.456 615 P HA 0.162 nan 4.420 nan 0.000 0.269 615 P C -0.055 177.154 177.300 -0.151 0.000 1.209 615 P CA -0.512 62.311 63.100 -0.461 0.000 0.776 615 P CB 0.317 31.564 31.700 -0.755 0.000 0.876 616 S N 3.140 118.798 115.700 -0.070 0.000 2.568 616 S HA 0.253 4.728 4.470 0.008 0.000 0.282 616 S C -1.929 172.660 174.600 -0.017 0.000 1.338 616 S CA -0.932 57.252 58.200 -0.026 0.000 1.045 616 S CB -0.676 62.516 63.200 -0.013 0.000 0.873 616 S HN 0.348 nan 8.310 nan 0.000 0.516 617 P HA 0.199 nan 4.420 nan 0.000 0.271 617 P C -0.591 176.794 177.300 0.142 0.000 1.216 617 P CA -0.383 62.750 63.100 0.055 0.000 0.776 617 P CB 0.309 32.034 31.700 0.042 0.000 0.881 618 F N 0.000 119.932 119.950 -0.029 0.000 2.286 618 F HA 0.000 4.532 4.527 0.008 0.000 0.279 618 F CA 0.000 57.989 58.000 -0.018 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