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 2f5v_1_A DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLAEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE TNPPELLPSL 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 FTPSPFT 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 0.000 176.286 176.300 -0.024 0.000 1.140 43 M CA 0.000 55.301 55.300 0.002 0.000 0.988 43 M CB 0.000 32.318 32.600 -0.470 0.000 1.302 44 D N 2.525 122.964 120.400 0.064 0.000 2.387 44 D HA 0.358 4.993 4.640 -0.007 0.000 0.251 44 D C 0.386 176.626 176.300 -0.100 0.000 1.141 44 D CA -0.230 53.680 54.000 -0.149 0.000 0.987 44 D CB 1.586 42.093 40.800 -0.489 0.000 1.116 44 D HN 0.607 nan 8.370 nan 0.000 0.491 45 I N -0.022 120.466 120.570 -0.138 0.000 3.860 45 I HA 0.012 4.178 4.170 -0.007 0.000 0.319 45 I C -0.149 175.936 176.117 -0.052 0.000 1.279 45 I CA 0.539 61.807 61.300 -0.055 0.000 1.220 45 I CB 0.072 38.047 38.000 -0.042 0.000 1.027 45 I HN 0.047 nan 8.210 nan 0.000 0.428 46 K N -0.266 119.993 120.400 -0.234 0.000 2.535 46 K HA 0.450 4.766 4.320 -0.007 0.000 0.250 46 K C -1.893 174.428 176.600 -0.465 0.000 0.948 46 K CA -0.415 55.753 56.287 -0.198 0.000 0.796 46 K CB 0.764 33.189 32.500 -0.126 0.000 1.216 46 K HN -0.082 nan 8.250 nan 0.000 0.432 47 Y N 1.049 121.333 120.300 -0.027 0.000 2.633 47 Y HA 0.294 4.839 4.550 -0.007 0.000 0.339 47 Y C 0.756 176.632 175.900 -0.040 0.000 1.045 47 Y CA -0.710 57.372 58.100 -0.030 0.000 1.098 47 Y CB 1.866 40.306 38.460 -0.033 0.000 1.296 47 Y HN 0.593 nan 8.280 nan 0.000 0.494 48 D N 0.002 120.497 120.400 0.159 0.000 2.137 48 D HA 0.038 4.673 4.640 -0.007 0.000 0.202 48 D C -0.361 175.935 176.300 -0.007 0.000 0.970 48 D CA 1.420 55.492 54.000 0.120 0.000 0.837 48 D CB 0.292 41.250 40.800 0.264 0.000 0.981 48 D HN 0.099 nan 8.370 nan 0.000 0.475 49 V N 0.929 120.829 119.914 -0.023 0.000 2.638 49 V HA 0.355 4.470 4.120 -0.007 0.000 0.306 49 V C -0.326 175.671 176.094 -0.160 0.000 1.052 49 V CA -0.845 61.348 62.300 -0.179 0.000 0.885 49 V CB 2.860 34.548 31.823 -0.225 0.000 0.999 49 V HN -0.269 nan 8.190 nan 0.000 0.424 50 V N 5.805 125.580 119.914 -0.231 0.000 2.513 50 V HA 0.575 4.691 4.120 -0.007 0.000 0.299 50 V C -0.406 175.626 176.094 -0.103 0.000 1.035 50 V CA -0.427 61.791 62.300 -0.135 0.000 0.889 50 V CB 1.943 33.744 31.823 -0.038 0.000 0.988 50 V HN 0.705 nan 8.190 nan 0.000 0.440 51 I N 4.638 125.169 120.570 -0.066 0.000 2.436 51 I HA 0.442 4.607 4.170 -0.007 0.000 0.289 51 I C -0.623 175.508 176.117 0.022 0.000 1.010 51 I CA -0.837 60.412 61.300 -0.084 0.000 1.098 51 I CB 2.129 40.065 38.000 -0.106 0.000 1.266 51 I HN 0.242 nan 8.210 nan 0.000 0.434 52 V N 5.455 125.369 119.914 0.000 0.000 2.333 52 V HA 0.793 4.908 4.120 -0.007 0.000 0.274 52 V C 0.456 176.551 176.094 0.002 0.000 1.028 52 V CA -0.324 62.002 62.300 0.042 0.000 0.851 52 V CB 0.559 32.384 31.823 0.003 0.000 1.000 52 V HN 1.065 nan 8.190 nan 0.000 0.456 53 G N 3.896 112.714 108.800 0.029 0.000 3.069 53 G HA2 -0.014 3.942 3.960 -0.007 0.000 0.686 53 G HA3 -0.014 3.942 3.960 -0.007 0.000 0.686 53 G C -0.047 174.863 174.900 0.018 0.000 1.161 53 G CA -0.239 44.869 45.100 0.014 0.000 0.804 53 G HN 1.298 nan 8.290 nan 0.000 0.608 54 S N 1.199 116.914 115.700 0.025 0.000 2.588 54 S HA 0.603 5.069 4.470 -0.007 0.000 0.245 54 S C 1.320 175.927 174.600 0.013 0.000 1.021 54 S CA 0.726 58.948 58.200 0.036 0.000 1.006 54 S CB 0.564 63.798 63.200 0.058 0.000 0.830 54 S HN 1.943 nan 8.310 nan 0.000 0.468 55 G N 2.712 111.508 108.800 -0.008 0.000 2.631 55 G HA2 0.369 4.325 3.960 -0.007 0.000 0.271 55 G HA3 0.369 4.325 3.960 -0.007 0.000 0.271 55 G C -1.111 173.760 174.900 -0.049 0.000 1.302 55 G CA -1.186 43.888 45.100 -0.043 0.000 1.002 55 G HN 0.262 nan 8.290 nan 0.000 0.519 56 P HA -0.062 nan 4.420 nan 0.000 0.220 56 P C 1.676 178.920 177.300 -0.093 0.000 1.148 56 P CA 0.765 63.811 63.100 -0.091 0.000 0.803 56 P CB 0.191 31.849 31.700 -0.071 0.000 0.782 57 I N 0.088 120.635 120.570 -0.038 0.000 2.277 57 I HA -0.016 4.150 4.170 -0.007 0.000 0.243 57 I C 2.724 178.900 176.117 0.098 0.000 1.094 57 I CA 1.479 62.791 61.300 0.020 0.000 1.393 57 I CB -2.296 35.739 38.000 0.059 0.000 1.078 57 I HN -0.006 nan 8.210 nan 0.000 0.417 58 G N 0.447 109.279 108.800 0.053 0.000 2.469 58 G HA2 -0.256 3.700 3.960 -0.007 0.000 0.219 58 G HA3 -0.256 3.700 3.960 -0.007 0.000 0.219 58 G C 1.749 176.652 174.900 0.006 0.000 1.150 58 G CA 1.105 46.227 45.100 0.036 0.000 0.763 58 G HN 0.414 nan 8.290 nan 0.000 0.561 59 C N 0.589 119.867 119.300 -0.037 0.000 2.432 59 C HA 0.048 4.503 4.460 -0.007 0.000 0.282 59 C C 3.163 178.031 174.990 -0.203 0.000 1.388 59 C CA 1.298 60.254 59.018 -0.104 0.000 1.777 59 C CB -0.980 26.741 27.740 -0.030 0.000 1.882 59 C HN 0.455 nan 8.230 nan 0.000 0.520 60 T N 0.084 114.542 114.554 -0.160 0.000 2.737 60 T HA -0.159 4.187 4.350 -0.007 0.000 0.265 60 T C 1.455 176.005 174.700 -0.249 0.000 1.038 60 T CA 1.611 63.580 62.100 -0.218 0.000 1.144 60 T CB -0.416 68.346 68.868 -0.177 0.000 0.866 60 T HN 0.556 nan 8.240 nan 0.000 0.434 61 Y N 1.502 121.664 120.300 -0.229 0.000 2.207 61 Y HA -0.062 4.483 4.550 -0.008 0.000 0.287 61 Y C 2.727 178.417 175.900 -0.350 0.000 1.156 61 Y CA 0.894 58.841 58.100 -0.255 0.000 1.182 61 Y CB -0.650 37.677 38.460 -0.221 0.000 0.979 61 Y HN 0.204 nan 8.280 nan 0.000 0.521 62 A N 0.101 122.737 122.820 -0.307 0.000 1.873 62 A HA -0.205 4.110 4.320 -0.007 0.000 0.215 62 A C 2.296 179.306 177.584 -0.957 0.000 1.186 62 A CA 1.688 53.293 52.037 -0.721 0.000 0.616 62 A CB -0.704 17.625 19.000 -1.118 0.000 0.823 62 A HN 0.419 nan 8.150 nan 0.000 0.442 63 R N -0.331 119.686 120.500 -0.806 0.000 2.083 63 R HA -0.160 4.175 4.340 -0.007 0.000 0.237 63 R C 2.010 178.107 176.300 -0.339 0.000 1.137 63 R CA 1.767 57.539 56.100 -0.547 0.000 0.951 63 R CB -0.252 29.731 30.300 -0.529 0.000 0.851 63 R HN 0.567 nan 8.270 nan 0.000 0.434 64 E N 0.380 120.413 120.200 -0.279 0.000 2.047 64 E HA -0.166 4.180 4.350 -0.007 0.000 0.191 64 E C 2.126 178.671 176.600 -0.092 0.000 0.987 64 E CA 1.191 57.506 56.400 -0.140 0.000 0.799 64 E CB -0.035 29.576 29.700 -0.149 0.000 0.752 64 E HN 0.424 nan 8.360 nan 0.000 0.449 65 L N 0.289 121.433 121.223 -0.132 0.000 2.202 65 L HA -0.045 4.290 4.340 -0.007 0.000 0.205 65 L C 2.508 179.442 176.870 0.107 0.000 1.083 65 L CA 0.204 55.032 54.840 -0.019 0.000 0.790 65 L CB -0.193 41.742 42.059 -0.206 0.000 0.942 65 L HN -0.057 nan 8.230 nan 0.000 0.452 66 V N 0.589 120.466 119.914 -0.062 0.000 2.343 66 V HA -0.204 3.912 4.120 -0.007 0.000 0.247 66 V C 2.656 178.783 176.094 0.055 0.000 1.051 66 V CA 2.091 64.398 62.300 0.011 0.000 1.036 66 V CB -1.239 30.512 31.823 -0.120 0.000 0.654 66 V HN 0.560 nan 8.190 nan 0.000 0.451 67 G N -0.395 108.408 108.800 0.005 0.000 2.450 67 G HA2 -0.185 3.771 3.960 -0.007 0.000 0.220 67 G HA3 -0.185 3.771 3.960 -0.007 0.000 0.220 67 G C 1.515 176.439 174.900 0.040 0.000 1.130 67 G CA 0.908 46.023 45.100 0.025 0.000 0.760 67 G HN 0.643 nan 8.290 nan 0.000 0.557 68 A N -0.576 122.290 122.820 0.078 0.000 2.238 68 A HA 0.482 4.797 4.320 -0.007 0.000 0.208 68 A C 1.908 179.482 177.584 -0.017 0.000 1.177 68 A CA 1.263 53.345 52.037 0.074 0.000 0.804 68 A CB -0.333 18.776 19.000 0.180 0.000 0.823 68 A HN 1.592 nan 8.150 nan 0.000 0.482 69 G N -2.393 106.420 108.800 0.023 0.000 2.163 69 G HA2 -0.243 3.712 3.960 -0.007 0.000 0.213 69 G HA3 -0.243 3.712 3.960 -0.007 0.000 0.213 69 G C -0.050 174.819 174.900 -0.051 0.000 0.991 69 G CA -0.024 45.062 45.100 -0.023 0.000 0.653 69 G HN 0.390 nan 8.290 nan 0.000 0.518 70 Y N 0.565 120.896 120.300 0.051 0.000 2.397 70 Y HA 0.403 4.949 4.550 -0.007 0.000 0.335 70 Y C 1.167 177.114 175.900 0.079 0.000 1.213 70 Y CA 0.231 58.363 58.100 0.052 0.000 1.391 70 Y CB 0.717 39.187 38.460 0.018 0.000 1.293 70 Y HN 0.062 nan 8.280 nan 0.000 0.557 71 K N 2.990 123.531 120.400 0.234 0.000 2.262 71 K HA 0.360 4.675 4.320 -0.007 0.000 0.288 71 K C -1.529 175.217 176.600 0.243 0.000 1.090 71 K CA -0.134 56.274 56.287 0.203 0.000 0.918 71 K CB -0.037 32.541 32.500 0.130 0.000 1.139 71 K HN 0.476 nan 8.250 nan 0.000 0.462 72 V N 3.194 123.228 119.914 0.200 0.000 2.513 72 V HA 0.583 4.698 4.120 -0.007 0.000 0.299 72 V C -0.215 175.772 176.094 -0.179 0.000 1.035 72 V CA -0.915 61.432 62.300 0.078 0.000 0.889 72 V CB 1.430 33.352 31.823 0.166 0.000 0.988 72 V HN 0.866 nan 8.190 nan 0.000 0.440 73 A N 5.664 128.205 122.820 -0.466 0.000 2.350 73 A HA 0.937 5.252 4.320 -0.007 0.000 0.324 73 A C -0.678 176.545 177.584 -0.602 0.000 1.118 73 A CA -0.631 50.905 52.037 -0.835 0.000 0.783 73 A CB 1.610 19.749 19.000 -1.434 0.000 1.236 73 A HN 0.902 nan 8.150 nan 0.000 0.457 74 M N 2.262 121.433 119.600 -0.715 0.000 2.395 74 M HA 0.732 5.207 4.480 -0.007 0.000 0.307 74 M C -2.164 173.809 176.300 -0.545 0.000 1.091 74 M CA -0.429 54.633 55.300 -0.397 0.000 0.919 74 M CB 1.222 33.785 32.600 -0.062 0.000 1.662 74 M HN 0.602 nan 8.290 nan 0.000 0.440 75 F N 2.258 122.202 119.950 -0.009 0.000 2.508 75 F HA 0.564 5.086 4.527 -0.008 0.000 0.325 75 F C -0.109 175.690 175.800 -0.000 0.000 1.090 75 F CA -0.482 57.533 58.000 0.025 0.000 0.945 75 F CB 1.469 40.467 39.000 -0.003 0.000 1.156 75 F HN 0.456 nan 8.300 nan 0.000 0.463 76 D N 2.689 123.187 120.400 0.162 0.000 2.879 76 D HA 0.231 4.867 4.640 -0.007 0.000 0.236 76 D C 0.568 176.895 176.300 0.045 0.000 1.171 76 D CA -0.350 53.694 54.000 0.073 0.000 0.868 76 D CB 2.510 43.335 40.800 0.041 0.000 1.598 76 D HN 0.645 nan 8.370 nan 0.000 0.497 77 I N 1.924 122.471 120.570 -0.038 0.000 2.493 77 I HA 0.004 4.170 4.170 -0.007 0.000 0.254 77 I C 1.139 177.215 176.117 -0.068 0.000 1.160 77 I CA 0.865 62.095 61.300 -0.116 0.000 1.445 77 I CB 0.149 37.954 38.000 -0.325 0.000 1.086 77 I HN 0.337 nan 8.210 nan 0.000 0.433 78 G N -0.107 108.674 108.800 -0.032 0.000 2.537 78 G HA2 0.408 4.363 3.960 -0.007 0.000 0.297 78 G HA3 0.408 4.363 3.960 -0.007 0.000 0.297 78 G C -0.877 174.044 174.900 0.034 0.000 1.310 78 G CA -0.432 44.675 45.100 0.012 0.000 1.027 78 G HN 0.300 nan 8.290 nan 0.000 0.505 79 E N -1.345 118.882 120.200 0.044 0.000 2.320 79 E HA 0.357 4.703 4.350 -0.007 0.000 0.264 79 E C -0.468 176.159 176.600 0.045 0.000 0.923 79 E CA -0.788 55.639 56.400 0.046 0.000 0.796 79 E CB 2.542 32.272 29.700 0.050 0.000 1.262 79 E HN 0.266 nan 8.360 nan 0.000 0.428 80 I N 2.417 123.011 120.570 0.041 0.000 2.581 80 I HA -0.079 4.087 4.170 -0.007 0.000 0.285 80 I C 0.304 176.451 176.117 0.051 0.000 1.129 80 I CA 0.466 61.791 61.300 0.041 0.000 1.397 80 I CB 0.151 38.170 38.000 0.031 0.000 1.399 80 I HN 0.519 nan 8.210 nan 0.000 0.537 81 D N 2.512 122.948 120.400 0.060 0.000 2.805 81 D HA -0.003 4.632 4.640 -0.007 0.000 0.271 81 D C 1.622 177.974 176.300 0.087 0.000 1.166 81 D CA 0.861 54.906 54.000 0.074 0.000 1.004 81 D CB 0.138 40.986 40.800 0.080 0.000 1.136 81 D HN 0.355 nan 8.370 nan 0.000 0.444 82 S N 0.464 116.221 115.700 0.096 0.000 2.805 82 S HA 0.381 4.846 4.470 -0.007 0.000 0.230 82 S C 0.987 175.660 174.600 0.121 0.000 0.968 82 S CA 0.508 58.783 58.200 0.125 0.000 0.976 82 S CB -0.540 62.740 63.200 0.133 0.000 0.787 82 S HN 0.559 nan 8.310 nan 0.000 0.533 83 G N 1.007 109.863 108.800 0.094 0.000 2.512 83 G HA2 -0.195 3.761 3.960 -0.007 0.000 0.210 83 G HA3 -0.195 3.761 3.960 -0.007 0.000 0.210 83 G C 0.188 175.123 174.900 0.058 0.000 1.295 83 G CA -0.384 44.764 45.100 0.080 0.000 0.934 83 G HN 0.280 nan 8.290 nan 0.000 0.554 84 L N 0.309 121.560 121.223 0.047 0.000 2.418 84 L HA 0.183 4.519 4.340 -0.007 0.000 0.218 84 L C 1.366 178.249 176.870 0.022 0.000 1.125 84 L CA 0.701 55.558 54.840 0.028 0.000 0.835 84 L CB -0.284 41.786 42.059 0.018 0.000 0.953 84 L HN 0.277 nan 8.230 nan 0.000 0.454 85 K N 1.907 122.329 120.400 0.037 0.000 2.273 85 K HA 0.331 4.647 4.320 -0.007 0.000 0.287 85 K C -0.270 176.353 176.600 0.037 0.000 1.089 85 K CA -0.181 56.124 56.287 0.030 0.000 0.909 85 K CB 0.836 33.368 32.500 0.053 0.000 1.123 85 K HN 0.088 nan 8.250 nan 0.000 0.473 86 I N 1.845 122.421 120.570 0.010 0.000 2.556 86 I HA -0.035 4.131 4.170 -0.007 0.000 0.284 86 I C 1.368 177.503 176.117 0.030 0.000 1.114 86 I CA 0.621 61.932 61.300 0.019 0.000 1.418 86 I CB 0.558 38.559 38.000 0.001 0.000 1.394 86 I HN 0.943 nan 8.210 nan 0.000 0.552 87 G N 4.308 113.137 108.800 0.049 0.000 2.168 87 G HA2 -0.224 3.731 3.960 -0.007 0.000 0.257 87 G HA3 -0.224 3.731 3.960 -0.007 0.000 0.257 87 G C 0.348 175.296 174.900 0.079 0.000 0.997 87 G CA 0.159 45.291 45.100 0.053 0.000 0.708 87 G HN 0.967 nan 8.290 nan 0.000 0.520 88 A N -0.508 122.376 122.820 0.107 0.000 2.259 88 A HA 0.613 4.928 4.320 -0.007 0.000 0.278 88 A C 0.586 178.298 177.584 0.213 0.000 1.107 88 A CA -0.291 51.847 52.037 0.168 0.000 0.828 88 A CB 0.272 19.373 19.000 0.168 0.000 1.111 88 A HN 0.613 nan 8.150 nan 0.000 0.498 89 H N 0.375 119.582 119.070 0.228 0.000 2.848 89 H HA 0.122 4.673 4.556 -0.008 0.000 0.317 89 H C 0.688 176.154 175.328 0.231 0.000 1.046 89 H CA 0.625 56.825 56.048 0.254 0.000 1.470 89 H CB 0.826 30.759 29.762 0.286 0.000 1.483 89 H HN 0.662 nan 8.280 nan 0.000 0.548 90 K N 3.435 124.065 120.400 0.385 0.000 2.439 90 K HA -0.088 4.228 4.320 -0.007 0.000 0.197 90 K C 1.646 178.520 176.600 0.456 0.000 1.041 90 K CA 0.559 57.117 56.287 0.453 0.000 0.970 90 K CB 0.389 33.168 32.500 0.466 0.000 0.773 90 K HN 0.415 nan 8.250 nan 0.000 0.479 91 K N 0.947 121.494 120.400 0.245 0.000 2.486 91 K HA 0.005 4.321 4.320 -0.007 0.000 0.194 91 K C 0.271 176.892 176.600 0.035 0.000 1.033 91 K CA 0.330 56.401 56.287 -0.360 0.000 1.004 91 K CB 0.257 32.128 32.500 -1.048 0.000 0.798 91 K HN 0.012 nan 8.250 nan 0.000 0.495 92 N N 1.863 120.705 118.700 0.237 0.000 2.623 92 N HA -0.022 4.714 4.740 -0.007 0.000 0.263 92 N C -0.688 175.100 175.510 0.464 0.000 1.218 92 N CA 0.268 53.513 53.050 0.325 0.000 0.949 92 N CB 0.603 39.309 38.487 0.365 0.000 1.270 92 N HN 0.232 nan 8.380 nan 0.000 0.507 93 T N -4.226 110.574 114.554 0.410 0.000 2.925 93 T HA 0.334 4.679 4.350 -0.007 0.000 0.285 93 T C 1.537 176.478 174.700 0.401 0.000 1.021 93 T CA -0.770 61.544 62.100 0.357 0.000 1.042 93 T CB 1.695 70.712 68.868 0.249 0.000 1.037 93 T HN -0.184 nan 8.240 nan 0.000 0.481 94 V N 1.379 121.471 119.914 0.296 0.000 2.392 94 V HA -0.119 3.997 4.120 -0.007 0.000 0.249 94 V C 2.813 179.000 176.094 0.155 0.000 1.059 94 V CA 2.377 64.832 62.300 0.257 0.000 1.051 94 V CB -0.986 30.888 31.823 0.086 0.000 0.658 94 V HN 1.045 nan 8.190 nan 0.000 0.455 95 E N -0.305 119.924 120.200 0.049 0.000 2.077 95 E HA -0.211 4.134 4.350 -0.007 0.000 0.193 95 E C 2.005 178.561 176.600 -0.073 0.000 0.989 95 E CA 1.692 58.055 56.400 -0.061 0.000 0.800 95 E CB -0.447 29.146 29.700 -0.178 0.000 0.746 95 E HN 0.711 nan 8.360 nan 0.000 0.452 96 Y N 0.464 120.831 120.300 0.113 0.000 2.242 96 Y HA -0.118 4.427 4.550 -0.008 0.000 0.291 96 Y C 2.292 178.208 175.900 0.027 0.000 1.137 96 Y CA 1.305 59.454 58.100 0.083 0.000 1.181 96 Y CB 0.083 38.604 38.460 0.102 0.000 0.989 96 Y HN 0.129 nan 8.280 nan 0.000 0.527 97 Q N -0.052 119.850 119.800 0.170 0.000 2.435 97 Q HA -0.099 4.236 4.340 -0.007 0.000 0.207 97 Q C 1.463 177.517 176.000 0.091 0.000 0.956 97 Q CA 0.735 56.590 55.803 0.087 0.000 0.917 97 Q CB 0.044 28.780 28.738 -0.003 0.000 0.997 97 Q HN 0.469 nan 8.270 nan 0.000 0.497 98 K N 0.166 120.620 120.400 0.091 0.000 2.393 98 K HA 0.092 4.408 4.320 -0.007 0.000 0.193 98 K C 0.282 176.904 176.600 0.037 0.000 1.026 98 K CA 0.231 56.553 56.287 0.058 0.000 1.064 98 K CB 0.581 33.108 32.500 0.045 0.000 0.833 98 K HN 0.068 nan 8.250 nan 0.000 0.521 99 N N 0.949 119.680 118.700 0.052 0.000 2.664 99 N HA 0.047 4.783 4.740 -0.007 0.000 0.287 99 N C 0.065 175.605 175.510 0.050 0.000 1.869 99 N CA 0.063 53.137 53.050 0.039 0.000 0.832 99 N CB 0.959 39.467 38.487 0.035 0.000 1.293 99 N HN -0.010 nan 8.380 nan 0.000 0.498 100 I N 2.021 122.574 120.570 -0.029 0.000 2.454 100 I HA -0.209 3.956 4.170 -0.007 0.000 0.254 100 I C 1.965 177.842 176.117 -0.399 0.000 1.156 100 I CA 1.509 62.748 61.300 -0.101 0.000 1.433 100 I CB 0.022 37.971 38.000 -0.085 0.000 1.082 100 I HN 0.253 nan 8.210 nan 0.000 0.432 101 D N -0.116 119.906 120.400 -0.629 0.000 2.311 101 D HA -0.238 4.398 4.640 -0.007 0.000 0.212 101 D C 1.465 177.579 176.300 -0.310 0.000 0.972 101 D CA 0.968 54.426 54.000 -0.903 0.000 0.887 101 D CB -0.342 40.241 40.800 -0.362 0.000 0.915 101 D HN 0.290 nan 8.370 nan 0.000 0.497 102 K N -0.474 119.886 120.400 -0.066 0.000 2.356 102 K HA 0.055 4.371 4.320 -0.007 0.000 0.195 102 K C 1.571 178.228 176.600 0.095 0.000 1.037 102 K CA -0.209 56.133 56.287 0.093 0.000 1.014 102 K CB -0.533 32.113 32.500 0.242 0.000 0.815 102 K HN 0.183 nan 8.250 nan 0.000 0.507 103 F N 1.624 121.498 119.950 -0.126 0.000 2.365 103 F HA -0.139 4.384 4.527 -0.007 0.000 0.300 103 F C 2.027 177.748 175.800 -0.131 0.000 1.090 103 F CA 0.404 58.217 58.000 -0.312 0.000 1.408 103 F CB -0.105 38.673 39.000 -0.369 0.000 1.060 103 F HN -0.222 nan 8.300 nan 0.000 0.534 104 V N 1.067 120.967 119.914 -0.024 0.000 2.370 104 V HA -0.375 3.740 4.120 -0.007 0.000 0.252 104 V C 2.156 178.181 176.094 -0.115 0.000 1.068 104 V CA 2.683 64.980 62.300 -0.005 0.000 1.061 104 V CB -0.526 31.309 31.823 0.020 0.000 0.656 104 V HN 0.440 nan 8.190 nan 0.000 0.455 105 N N -0.153 118.465 118.700 -0.136 0.000 2.166 105 N HA -0.118 4.618 4.740 -0.007 0.000 0.186 105 N C 1.760 177.150 175.510 -0.201 0.000 1.019 105 N CA 1.775 54.755 53.050 -0.118 0.000 0.856 105 N CB -0.355 38.103 38.487 -0.048 0.000 0.993 105 N HN 0.478 nan 8.380 nan 0.000 0.426 106 V N 2.164 121.838 119.914 -0.400 0.000 2.295 106 V HA -0.191 3.925 4.120 -0.007 0.000 0.246 106 V C 2.370 178.185 176.094 -0.465 0.000 1.049 106 V CA 1.234 63.234 62.300 -0.500 0.000 1.024 106 V CB -0.438 30.800 31.823 -0.974 0.000 0.648 106 V HN 0.188 nan 8.190 nan 0.000 0.447 107 I N -0.263 119.969 120.570 -0.563 0.000 2.127 107 I HA -0.344 3.821 4.170 -0.007 0.000 0.241 107 I C 2.723 178.682 176.117 -0.262 0.000 1.075 107 I CA 1.836 62.853 61.300 -0.472 0.000 1.334 107 I CB -0.472 37.346 38.000 -0.303 0.000 1.040 107 I HN 0.340 nan 8.210 nan 0.000 0.405 108 Q N 0.419 120.168 119.800 -0.084 0.000 2.135 108 Q HA -0.157 4.178 4.340 -0.007 0.000 0.204 108 Q C 2.279 178.251 176.000 -0.046 0.000 0.981 108 Q CA 1.561 57.362 55.803 -0.003 0.000 0.856 108 Q CB -0.469 28.275 28.738 0.010 0.000 0.902 108 Q HN 0.659 nan 8.270 nan 0.000 0.425 109 G N 1.075 109.829 108.800 -0.076 0.000 2.559 109 G HA2 -0.227 3.728 3.960 -0.007 0.000 0.216 109 G HA3 -0.227 3.728 3.960 -0.007 0.000 0.216 109 G C 0.914 175.796 174.900 -0.029 0.000 1.126 109 G CA 0.674 45.747 45.100 -0.046 0.000 0.778 109 G HN 0.482 nan 8.290 nan 0.000 0.543 110 Q N -0.634 119.133 119.800 -0.055 0.000 2.115 110 Q HA 0.415 4.751 4.340 -0.007 0.000 0.249 110 Q C -0.387 175.614 176.000 0.002 0.000 0.830 110 Q CA -0.289 55.512 55.803 -0.005 0.000 1.104 110 Q CB 0.138 28.895 28.738 0.032 0.000 1.207 110 Q HN 0.243 nan 8.270 nan 0.000 0.464 111 L N 2.044 123.253 121.223 -0.024 0.000 2.301 111 L HA 0.511 4.846 4.340 -0.007 0.000 0.278 111 L C -0.965 175.925 176.870 0.035 0.000 1.022 111 L CA -0.801 54.039 54.840 0.001 0.000 0.854 111 L CB 1.167 43.197 42.059 -0.048 0.000 1.226 111 L HN 0.216 nan 8.230 nan 0.000 0.429 112 M N 2.022 121.662 119.600 0.066 0.000 2.080 112 M HA 0.255 4.730 4.480 -0.007 0.000 0.350 112 M C 0.327 176.675 176.300 0.080 0.000 1.173 112 M CA -0.022 55.325 55.300 0.077 0.000 1.052 112 M CB 1.408 34.072 32.600 0.108 0.000 1.577 112 M HN 0.294 nan 8.290 nan 0.000 0.455 113 S N 1.875 117.612 115.700 0.063 0.000 2.552 113 S HA 0.092 4.557 4.470 -0.007 0.000 0.289 113 S C 1.505 176.148 174.600 0.072 0.000 1.304 113 S CA -0.595 57.641 58.200 0.060 0.000 1.063 113 S CB 0.576 63.802 63.200 0.043 0.000 0.848 113 S HN 0.582 nan 8.310 nan 0.000 0.499 114 V N 2.357 122.324 119.914 0.087 0.000 2.323 114 V HA 0.010 4.126 4.120 -0.007 0.000 0.244 114 V C 1.197 177.300 176.094 0.016 0.000 1.041 114 V CA 1.436 63.778 62.300 0.070 0.000 1.025 114 V CB 0.068 31.971 31.823 0.134 0.000 0.656 114 V HN 0.799 nan 8.190 nan 0.000 0.451 115 S N -0.462 115.267 115.700 0.048 0.000 2.776 115 S HA 0.520 4.985 4.470 -0.007 0.000 0.284 115 S C -1.137 173.471 174.600 0.015 0.000 1.160 115 S CA -0.466 57.726 58.200 -0.013 0.000 1.051 115 S CB 1.444 64.602 63.200 -0.070 0.000 1.037 115 S HN 0.002 nan 8.310 nan 0.000 0.485 116 V N 7.863 127.773 119.914 -0.006 0.000 2.357 116 V HA 0.556 4.671 4.120 -0.007 0.000 0.284 116 V C -1.956 174.128 176.094 -0.017 0.000 1.018 116 V CA -1.800 60.498 62.300 -0.005 0.000 0.841 116 V CB 1.458 33.279 31.823 -0.003 0.000 0.991 116 V HN 0.706 nan 8.190 nan 0.000 0.437 117 P HA 0.176 nan 4.420 nan 0.000 0.274 117 P C -0.147 177.137 177.300 -0.027 0.000 1.246 117 P CA -0.157 62.930 63.100 -0.021 0.000 0.795 117 P CB 0.897 32.586 31.700 -0.019 0.000 1.006 118 V N 2.263 122.164 119.914 -0.022 0.000 2.617 118 V HA -0.054 4.061 4.120 -0.007 0.000 0.304 118 V C 1.295 177.354 176.094 -0.059 0.000 1.040 118 V CA 0.296 62.580 62.300 -0.026 0.000 1.149 118 V CB -0.751 31.076 31.823 0.008 0.000 0.914 118 V HN 0.629 nan 8.190 nan 0.000 0.487 119 N N 3.483 122.141 118.700 -0.070 0.000 2.514 119 N HA 0.125 4.861 4.740 -0.007 0.000 0.277 119 N C 0.554 175.946 175.510 -0.197 0.000 1.126 119 N CA 0.410 53.399 53.050 -0.102 0.000 0.978 119 N CB 1.616 40.063 38.487 -0.066 0.000 1.106 119 N HN 0.872 nan 8.380 nan 0.000 0.461 120 T N 0.673 115.009 114.554 -0.364 0.000 3.288 120 T HA 0.265 4.610 4.350 -0.007 0.000 0.293 120 T C 0.781 175.086 174.700 -0.659 0.000 1.008 120 T CA -0.442 61.104 62.100 -0.923 0.000 0.929 120 T CB -0.462 67.869 68.868 -0.896 0.000 1.152 120 T HN 0.282 nan 8.240 nan 0.000 0.517 121 L N 2.091 123.163 121.223 -0.251 0.000 2.490 121 L HA 0.313 4.649 4.340 -0.007 0.000 0.274 121 L C 0.076 176.981 176.870 0.057 0.000 1.201 121 L CA -0.562 54.229 54.840 -0.082 0.000 0.869 121 L CB 0.788 42.830 42.059 -0.028 0.000 1.123 121 L HN 0.096 nan 8.230 nan 0.000 0.484 122 V N 4.963 124.927 119.914 0.082 0.000 2.385 122 V HA 0.150 4.266 4.120 -0.007 0.000 0.269 122 V C 0.202 176.360 176.094 0.106 0.000 1.043 122 V CA -0.430 61.974 62.300 0.173 0.000 0.906 122 V CB 1.491 33.402 31.823 0.146 0.000 0.995 122 V HN 0.414 nan 8.190 nan 0.000 0.467 123 V N 5.557 125.538 119.914 0.112 0.000 2.277 123 V HA 0.300 4.415 4.120 -0.007 0.000 0.269 123 V C 0.388 176.514 176.094 0.053 0.000 1.036 123 V CA -0.417 61.925 62.300 0.071 0.000 0.821 123 V CB 1.194 33.060 31.823 0.072 0.000 1.052 123 V HN 1.051 nan 8.190 nan 0.000 0.462 124 D N 1.997 122.421 120.400 0.039 0.000 2.440 124 D HA -0.022 4.614 4.640 -0.007 0.000 0.216 124 D C 1.263 177.571 176.300 0.015 0.000 1.150 124 D CA 0.369 54.383 54.000 0.022 0.000 0.832 124 D CB 0.378 41.190 40.800 0.021 0.000 0.992 124 D HN 0.545 nan 8.370 nan 0.000 0.502 125 T N -1.652 112.914 114.554 0.020 0.000 3.214 125 T HA 0.322 4.667 4.350 -0.007 0.000 0.264 125 T C 0.772 175.483 174.700 0.019 0.000 1.012 125 T CA -0.581 61.529 62.100 0.016 0.000 0.901 125 T CB -0.365 68.513 68.868 0.017 0.000 1.070 125 T HN 0.012 nan 8.240 nan 0.000 0.561 126 L N 1.976 123.211 121.223 0.021 0.000 2.483 126 L HA 0.266 4.601 4.340 -0.007 0.000 0.275 126 L C 1.148 178.028 176.870 0.017 0.000 1.220 126 L CA -0.483 54.373 54.840 0.026 0.000 0.833 126 L CB 0.340 42.418 42.059 0.031 0.000 1.102 126 L HN 0.251 nan 8.230 nan 0.000 0.490 127 S N 1.754 117.467 115.700 0.022 0.000 2.560 127 S HA 0.113 4.578 4.470 -0.007 0.000 0.284 127 S C -1.418 173.187 174.600 0.009 0.000 1.327 127 S CA -1.073 57.137 58.200 0.016 0.000 1.055 127 S CB 0.867 64.080 63.200 0.022 0.000 0.868 127 S HN 0.392 nan 8.310 nan 0.000 0.506 128 P HA -0.112 nan 4.420 nan 0.000 0.218 128 P C 1.416 178.713 177.300 -0.004 0.000 1.146 128 P CA 1.562 64.657 63.100 -0.009 0.000 0.813 128 P CB -0.219 31.475 31.700 -0.009 0.000 0.778 129 T N -5.471 109.090 114.554 0.012 0.000 3.023 129 T HA 0.062 4.408 4.350 -0.007 0.000 0.266 129 T C 1.056 175.784 174.700 0.047 0.000 1.093 129 T CA 0.188 62.303 62.100 0.024 0.000 1.129 129 T CB -0.652 68.233 68.868 0.029 0.000 0.899 129 T HN -0.088 nan 8.240 nan 0.000 0.491 130 S N 1.362 117.094 115.700 0.052 0.000 2.564 130 S HA 0.265 4.731 4.470 -0.007 0.000 0.278 130 S C -0.534 174.140 174.600 0.122 0.000 1.333 130 S CA -0.977 57.282 58.200 0.099 0.000 1.048 130 S CB 0.097 63.352 63.200 0.092 0.000 0.900 130 S HN 0.594 nan 8.310 nan 0.000 0.505 131 W N 3.257 124.566 121.300 0.015 0.000 2.322 131 W HA 0.175 4.829 4.660 -0.010 0.000 0.328 131 W C 0.264 176.799 176.519 0.026 0.000 1.395 131 W CA 0.267 57.621 57.345 0.014 0.000 1.267 131 W CB 0.190 29.659 29.460 0.014 0.000 1.259 131 W HN 0.537 nan 8.180 nan 0.000 0.560 132 Q N 5.134 124.543 119.800 -0.651 0.000 2.337 132 Q HA 0.596 4.932 4.340 -0.007 0.000 0.270 132 Q C -0.612 174.867 176.000 -0.867 0.000 1.043 132 Q CA -0.870 54.655 55.803 -0.465 0.000 0.794 132 Q CB 1.728 30.298 28.738 -0.280 0.000 1.281 132 Q HN 0.611 nan 8.270 nan 0.000 0.446 133 A N 2.259 124.824 122.820 -0.424 0.000 2.445 133 A HA 0.257 4.573 4.320 -0.007 0.000 0.242 133 A C 0.438 177.840 177.584 -0.303 0.000 1.075 133 A CA -0.018 51.848 52.037 -0.284 0.000 0.777 133 A CB 0.660 19.779 19.000 0.198 0.000 1.013 133 A HN 0.883 nan 8.150 nan 0.000 0.493 134 S N -0.463 115.092 115.700 -0.242 0.000 2.503 134 S HA 0.136 4.602 4.470 -0.007 0.000 0.215 134 S C 0.805 175.294 174.600 -0.185 0.000 1.003 134 S CA 0.784 58.862 58.200 -0.203 0.000 0.910 134 S CB -0.062 63.043 63.200 -0.158 0.000 0.790 134 S HN 1.130 nan 8.310 nan 0.000 0.514 135 T N -1.355 113.124 114.554 -0.126 0.000 2.841 135 T HA 0.629 4.974 4.350 -0.007 0.000 0.296 135 T C -1.022 173.594 174.700 -0.141 0.000 1.166 135 T CA -0.753 61.261 62.100 -0.143 0.000 1.007 135 T CB 0.651 69.548 68.868 0.048 0.000 1.253 135 T HN -0.088 nan 8.240 nan 0.000 0.511 136 F N 2.919 122.956 119.950 0.144 0.000 2.605 136 F HA 0.386 4.909 4.527 -0.007 0.000 0.352 136 F C 0.454 176.308 175.800 0.090 0.000 1.236 136 F CA -1.809 56.235 58.000 0.072 0.000 1.267 136 F CB -0.993 38.020 39.000 0.022 0.000 1.632 136 F HN 0.558 nan 8.300 nan 0.000 0.639 137 F N -1.008 119.044 119.950 0.170 0.000 2.399 137 F HA 0.586 5.110 4.527 -0.005 0.000 0.313 137 F C 0.002 175.874 175.800 0.121 0.000 1.202 137 F CA -1.534 56.543 58.000 0.128 0.000 1.192 137 F CB -0.017 39.048 39.000 0.108 0.000 1.256 137 F HN -0.183 nan 8.300 nan 0.000 0.558 138 V N 2.749 122.807 119.914 0.241 0.000 2.446 138 V HA 0.239 4.354 4.120 -0.007 0.000 0.276 138 V C 0.122 176.231 176.094 0.025 0.000 1.030 138 V CA 0.058 62.412 62.300 0.091 0.000 1.033 138 V CB -0.384 31.511 31.823 0.120 0.000 0.993 138 V HN 0.721 nan 8.190 nan 0.000 0.477 139 R N 3.845 124.267 120.500 -0.128 0.000 2.795 139 R HA 0.477 4.813 4.340 -0.007 0.000 0.275 139 R C 0.085 176.350 176.300 -0.058 0.000 0.981 139 R CA -0.931 55.080 56.100 -0.149 0.000 0.917 139 R CB 1.257 31.358 30.300 -0.332 0.000 1.202 139 R HN 0.701 nan 8.270 nan 0.000 0.469 140 N N 0.861 119.548 118.700 -0.022 0.000 2.740 140 N HA -0.193 4.543 4.740 -0.007 0.000 0.248 140 N C 0.460 175.964 175.510 -0.009 0.000 1.062 140 N CA 1.535 54.576 53.050 -0.015 0.000 0.704 140 N CB -1.162 37.310 38.487 -0.025 0.000 0.968 140 N HN 1.077 nan 8.380 nan 0.000 0.547 141 G N -2.338 106.462 108.800 -0.001 0.000 2.159 141 G HA2 -0.335 3.620 3.960 -0.007 0.000 0.256 141 G HA3 -0.335 3.620 3.960 -0.007 0.000 0.256 141 G C 0.277 175.176 174.900 -0.001 0.000 0.977 141 G CA 0.502 45.603 45.100 0.002 0.000 0.652 141 G HN 0.578 nan 8.290 nan 0.000 0.531 142 S N -0.002 115.693 115.700 -0.008 0.000 2.579 142 S HA 0.391 4.857 4.470 -0.007 0.000 0.275 142 S C 0.406 175.001 174.600 -0.008 0.000 1.345 142 S CA 0.068 58.260 58.200 -0.013 0.000 1.031 142 S CB 1.032 64.219 63.200 -0.022 0.000 0.892 142 S HN 0.568 nan 8.310 nan 0.000 0.529 143 N N 2.338 121.025 118.700 -0.021 0.000 2.501 143 N HA 0.314 5.050 4.740 -0.007 0.000 0.245 143 N C -1.803 173.693 175.510 -0.023 0.000 0.974 143 N CA -2.324 50.705 53.050 -0.036 0.000 0.941 143 N CB 1.224 39.661 38.487 -0.084 0.000 1.122 143 N HN 0.175 nan 8.380 nan 0.000 0.507 144 P HA -0.038 nan 4.420 nan 0.000 0.230 144 P C 0.277 177.599 177.300 0.037 0.000 1.158 144 P CA 0.802 63.921 63.100 0.031 0.000 0.769 144 P CB 0.567 32.301 31.700 0.055 0.000 0.807 145 E N -0.207 119.999 120.200 0.009 0.000 2.285 145 E HA -0.085 4.260 4.350 -0.007 0.000 0.194 145 E C 0.892 177.498 176.600 0.011 0.000 0.997 145 E CA 0.553 56.976 56.400 0.039 0.000 0.845 145 E CB -0.110 29.554 29.700 -0.061 0.000 0.782 145 E HN 0.302 nan 8.360 nan 0.000 0.491 146 Q N 2.212 121.983 119.800 -0.048 0.000 2.295 146 Q HA 0.029 4.364 4.340 -0.007 0.000 0.259 146 Q C -0.829 175.180 176.000 0.014 0.000 0.976 146 Q CA -0.167 55.608 55.803 -0.048 0.000 0.923 146 Q CB 0.775 29.472 28.738 -0.068 0.000 1.185 146 Q HN -0.192 nan 8.270 nan 0.000 0.410 147 D N 5.986 126.413 120.400 0.046 0.000 2.358 147 D HA 0.065 4.701 4.640 -0.007 0.000 0.258 147 D C -1.692 174.626 176.300 0.030 0.000 1.223 147 D CA -1.891 52.137 54.000 0.047 0.000 0.886 147 D CB 1.276 42.117 40.800 0.068 0.000 1.120 147 D HN 0.434 nan 8.370 nan 0.000 0.482 148 P HA -0.086 nan 4.420 nan 0.000 0.225 148 P C 1.278 178.584 177.300 0.010 0.000 1.148 148 P CA 0.660 63.762 63.100 0.004 0.000 0.779 148 P CB 0.349 32.040 31.700 -0.015 0.000 0.780 149 L N -1.178 120.055 121.223 0.015 0.000 2.592 149 L HA 0.165 4.501 4.340 -0.007 0.000 0.227 149 L C 1.517 178.403 176.870 0.028 0.000 1.127 149 L CA 0.282 55.131 54.840 0.016 0.000 0.884 149 L CB -0.204 41.860 42.059 0.009 0.000 1.065 149 L HN -0.155 nan 8.230 nan 0.000 0.457 150 R N -0.210 120.316 120.500 0.043 0.000 2.734 150 R HA 0.218 4.553 4.340 -0.007 0.000 0.395 150 R C -0.443 175.916 176.300 0.099 0.000 1.096 150 R CA -0.263 55.875 56.100 0.064 0.000 1.071 150 R CB 0.309 30.649 30.300 0.067 0.000 1.348 150 R HN 0.043 nan 8.270 nan 0.000 0.600 151 N N 0.544 119.281 118.700 0.061 0.000 2.471 151 N HA 0.391 5.126 4.740 -0.007 0.000 0.288 151 N C -0.774 174.661 175.510 -0.124 0.000 1.220 151 N CA -0.676 52.395 53.050 0.035 0.000 0.893 151 N CB 1.278 39.783 38.487 0.030 0.000 1.256 151 N HN 0.079 nan 8.380 nan 0.000 0.534 152 L N 2.024 123.020 121.223 -0.380 0.000 2.494 152 L HA 0.220 4.556 4.340 -0.007 0.000 0.251 152 L C 1.412 178.113 176.870 -0.282 0.000 1.119 152 L CA -0.282 54.215 54.840 -0.572 0.000 1.026 152 L CB 0.472 41.790 42.059 -1.234 0.000 1.370 152 L HN 0.645 nan 8.230 nan 0.000 0.426 153 S N -0.223 115.406 115.700 -0.118 0.000 2.419 153 S HA -0.117 4.348 4.470 -0.007 0.000 0.233 153 S C 1.785 176.366 174.600 -0.032 0.000 1.016 153 S CA 1.011 59.188 58.200 -0.039 0.000 0.974 153 S CB -0.171 63.019 63.200 -0.016 0.000 0.786 153 S HN 0.636 nan 8.310 nan 0.000 0.492 154 G N 0.449 109.214 108.800 -0.058 0.000 2.712 154 G HA2 0.083 4.038 3.960 -0.007 0.000 0.212 154 G HA3 0.083 4.038 3.960 -0.007 0.000 0.212 154 G C 0.585 175.462 174.900 -0.039 0.000 1.142 154 G CA -0.281 44.801 45.100 -0.030 0.000 0.789 154 G HN 0.375 nan 8.290 nan 0.000 0.535 155 Q N 0.586 120.336 119.800 -0.084 0.000 2.330 155 Q HA 0.479 4.815 4.340 -0.007 0.000 0.279 155 Q C -0.083 175.941 176.000 0.041 0.000 1.024 155 Q CA 0.338 56.114 55.803 -0.044 0.000 0.900 155 Q CB 1.339 30.024 28.738 -0.088 0.000 1.221 155 Q HN 0.295 nan 8.270 nan 0.000 0.396 156 A N 1.987 124.836 122.820 0.048 0.000 2.594 156 A HA 0.748 5.064 4.320 -0.007 0.000 0.291 156 A C -1.029 176.605 177.584 0.083 0.000 1.105 156 A CA -0.528 51.548 52.037 0.065 0.000 0.694 156 A CB 1.370 20.396 19.000 0.042 0.000 1.291 156 A HN 0.482 nan 8.150 nan 0.000 0.410 157 V N -2.196 117.784 119.914 0.109 0.000 3.001 157 V HA 0.943 5.059 4.120 -0.007 0.000 0.314 157 V C -0.510 175.672 176.094 0.146 0.000 1.099 157 V CA -0.522 61.865 62.300 0.144 0.000 0.989 157 V CB 1.650 33.606 31.823 0.222 0.000 1.040 157 V HN 0.884 nan 8.190 nan 0.000 0.434 158 T N 2.900 117.542 114.554 0.147 0.000 2.809 158 T HA 0.562 4.907 4.350 -0.007 0.000 0.284 158 T C -0.300 174.457 174.700 0.095 0.000 0.992 158 T CA -0.422 61.756 62.100 0.131 0.000 0.957 158 T CB 0.975 69.945 68.868 0.171 0.000 0.942 158 T HN 0.762 nan 8.240 nan 0.000 0.439 159 R N 2.681 123.227 120.500 0.077 0.000 2.505 159 R HA 0.582 4.917 4.340 -0.007 0.000 0.284 159 R C -0.628 175.697 176.300 0.042 0.000 1.324 159 R CA -0.566 55.553 56.100 0.031 0.000 1.432 159 R CB 0.742 31.041 30.300 -0.003 0.000 1.107 159 R HN 0.525 nan 8.270 nan 0.000 0.587 160 V N -1.845 118.092 119.914 0.039 0.000 3.120 160 V HA 0.454 4.569 4.120 -0.007 0.000 0.303 160 V C -0.059 176.054 176.094 0.033 0.000 1.238 160 V CA -1.125 61.202 62.300 0.044 0.000 1.008 160 V CB 1.986 33.845 31.823 0.060 0.000 1.064 160 V HN 0.102 nan 8.190 nan 0.000 0.434 161 V N 3.396 123.332 119.914 0.036 0.000 2.599 161 V HA 0.500 4.615 4.120 -0.007 0.000 0.300 161 V C 1.746 177.857 176.094 0.028 0.000 1.034 161 V CA 1.951 64.272 62.300 0.034 0.000 1.115 161 V CB 0.172 32.018 31.823 0.039 0.000 0.934 161 V HN 2.117 nan 8.190 nan 0.000 0.485 162 G N 3.216 112.026 108.800 0.017 0.000 2.195 162 G HA2 -0.006 3.949 3.960 -0.007 0.000 0.246 162 G HA3 -0.006 3.949 3.960 -0.007 0.000 0.246 162 G C 1.027 175.896 174.900 -0.051 0.000 0.984 162 G CA 0.326 45.422 45.100 -0.006 0.000 0.633 162 G HN 2.184 nan 8.290 nan 0.000 0.525 163 G N -0.039 108.742 108.800 -0.032 0.000 2.574 163 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.282 163 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.282 163 G C 1.115 175.948 174.900 -0.112 0.000 1.257 163 G CA 1.119 46.190 45.100 -0.048 0.000 0.956 163 G HN 1.095 nan 8.290 nan 0.000 0.560 164 M N 1.535 121.025 119.600 -0.184 0.000 2.557 164 M HA 0.018 4.494 4.480 -0.007 0.000 0.259 164 M C 2.670 178.600 176.300 -0.616 0.000 1.086 164 M CA 1.653 56.701 55.300 -0.421 0.000 1.096 164 M CB -0.164 32.273 32.600 -0.273 0.000 1.424 164 M HN 0.728 nan 8.290 nan 0.000 0.488 165 S N -0.481 114.915 115.700 -0.506 0.000 2.555 165 S HA -0.069 4.397 4.470 -0.007 0.000 0.230 165 S C 1.704 176.142 174.600 -0.270 0.000 0.978 165 S CA 1.161 58.955 58.200 -0.676 0.000 0.934 165 S CB -0.942 61.885 63.200 -0.621 0.000 0.766 165 S HN 0.577 nan 8.310 nan 0.000 0.533 166 T N -0.661 113.748 114.554 -0.242 0.000 3.085 166 T HA 0.015 4.360 4.350 -0.007 0.000 0.263 166 T C 1.409 175.940 174.700 -0.281 0.000 1.127 166 T CA 0.887 62.882 62.100 -0.175 0.000 1.103 166 T CB -0.668 68.194 68.868 -0.011 0.000 0.921 166 T HN 0.902 nan 8.240 nan 0.000 0.510 167 H N -1.976 117.004 119.070 -0.150 0.000 3.680 167 H HA 0.199 4.752 4.556 -0.005 0.000 0.260 167 H C 0.632 176.152 175.328 0.320 0.000 1.183 167 H CA -0.976 55.129 56.048 0.094 0.000 1.159 167 H CB -0.485 29.351 29.762 0.123 0.000 1.567 167 H HN 0.484 nan 8.280 nan 0.000 0.648 168 W N 2.730 123.952 121.300 -0.130 0.000 2.042 168 W HA 0.254 4.908 4.660 -0.009 0.000 0.358 168 W C 0.051 176.660 176.519 0.151 0.000 1.325 168 W CA -0.057 57.319 57.345 0.052 0.000 1.311 168 W CB -0.242 29.180 29.460 -0.064 0.000 1.210 168 W HN -0.183 nan 8.180 nan 0.000 0.620 169 T N 0.923 115.451 114.554 -0.043 0.000 3.088 169 T HA 0.002 4.348 4.350 -0.007 0.000 0.259 169 T C 1.020 175.315 174.700 -0.675 0.000 1.122 169 T CA 1.145 63.058 62.100 -0.311 0.000 1.095 169 T CB -0.520 68.328 68.868 -0.034 0.000 0.930 169 T HN 0.652 nan 8.240 nan 0.000 0.508 170 C N 1.123 119.644 119.300 -1.298 0.000 4.465 170 C HA -0.118 4.338 4.460 -0.007 0.000 0.274 170 C C 1.088 175.598 174.990 -0.800 0.000 1.337 170 C CA -0.743 57.245 59.018 -1.715 0.000 1.822 170 C CB -2.770 24.445 27.740 -0.874 0.000 1.357 170 C HN 0.743 nan 8.230 nan 0.000 0.753 171 A N 1.130 123.677 122.820 -0.455 0.000 2.396 171 A HA 0.551 4.866 4.320 -0.007 0.000 0.279 171 A C 0.799 178.292 177.584 -0.153 0.000 1.165 171 A CA 1.114 53.031 52.037 -0.199 0.000 0.824 171 A CB 0.174 19.125 19.000 -0.081 0.000 1.100 171 A HN 1.386 nan 8.150 nan 0.000 0.516 172 T N 1.640 116.121 114.554 -0.122 0.000 3.466 172 T HA 0.505 4.850 4.350 -0.007 0.000 0.297 172 T C -2.666 171.984 174.700 -0.083 0.000 1.640 172 T CA -1.516 60.548 62.100 -0.059 0.000 1.631 172 T CB 0.503 69.365 68.868 -0.010 0.000 0.928 172 T HN 0.451 nan 8.240 nan 0.000 0.688 173 P HA 0.357 nan 4.420 nan 0.000 0.277 173 P C -0.117 177.039 177.300 -0.239 0.000 1.240 173 P CA -0.601 62.393 63.100 -0.177 0.000 0.798 173 P CB 1.143 32.699 31.700 -0.240 0.000 0.979 174 R N 0.901 121.177 120.500 -0.374 0.000 2.615 174 R HA 0.381 4.716 4.340 -0.007 0.000 0.270 174 R C 0.032 176.204 176.300 -0.213 0.000 1.081 174 R CA -0.323 55.358 56.100 -0.699 0.000 1.154 174 R CB 0.159 29.913 30.300 -0.909 0.000 1.063 174 R HN 0.379 nan 8.270 nan 0.000 0.519 175 F N 1.772 121.485 119.950 -0.395 0.000 2.394 175 F HA 0.080 4.602 4.527 -0.008 0.000 0.340 175 F C 0.872 176.486 175.800 -0.309 0.000 1.105 175 F CA -1.717 56.082 58.000 -0.335 0.000 1.124 175 F CB 0.490 39.286 39.000 -0.340 0.000 1.145 175 F HN 0.538 nan 8.300 nan 0.000 0.505 176 D N 2.512 122.838 120.400 -0.123 0.000 2.398 176 D HA 0.098 4.734 4.640 -0.007 0.000 0.247 176 D C 1.054 177.266 176.300 -0.146 0.000 1.227 176 D CA -0.379 53.548 54.000 -0.122 0.000 0.980 176 D CB 0.620 41.362 40.800 -0.097 0.000 1.106 176 D HN 0.498 nan 8.370 nan 0.000 0.493 177 R N -0.287 120.154 120.500 -0.098 0.000 2.103 177 R HA -0.207 4.129 4.340 -0.007 0.000 0.242 177 R C 2.096 178.341 176.300 -0.093 0.000 1.142 177 R CA 1.872 57.921 56.100 -0.086 0.000 0.960 177 R CB -0.311 29.974 30.300 -0.025 0.000 0.858 177 R HN 0.696 nan 8.270 nan 0.000 0.439 178 E N 0.770 120.915 120.200 -0.091 0.000 2.160 178 E HA -0.231 4.115 4.350 -0.007 0.000 0.195 178 E C 1.473 177.971 176.600 -0.170 0.000 0.991 178 E CA 1.282 57.640 56.400 -0.071 0.000 0.810 178 E CB 0.187 29.906 29.700 0.032 0.000 0.742 178 E HN 0.422 nan 8.360 nan 0.000 0.466 179 Q N -0.531 119.061 119.800 -0.347 0.000 2.356 179 Q HA 0.123 4.458 4.340 -0.007 0.000 0.205 179 Q C 0.331 176.222 176.000 -0.182 0.000 0.901 179 Q CA -0.101 55.431 55.803 -0.451 0.000 0.938 179 Q CB 0.632 28.782 28.738 -0.981 0.000 1.081 179 Q HN -0.032 nan 8.270 nan 0.000 0.517 180 R N 2.076 122.512 120.500 -0.108 0.000 2.514 180 R HA 0.316 4.652 4.340 -0.007 0.000 0.301 180 R C -2.556 173.717 176.300 -0.045 0.000 0.962 180 R CA -2.090 53.947 56.100 -0.104 0.000 0.882 180 R CB 1.143 31.207 30.300 -0.392 0.000 1.143 180 R HN -0.113 nan 8.270 nan 0.000 0.452 181 P HA 0.068 nan 4.420 nan 0.000 0.274 181 P C -0.573 176.887 177.300 0.266 0.000 1.231 181 P CA -0.189 62.992 63.100 0.136 0.000 0.790 181 P CB 0.791 32.576 31.700 0.141 0.000 0.951 182 L N 2.388 123.746 121.223 0.226 0.000 2.380 182 L HA 0.144 4.479 4.340 -0.007 0.000 0.273 182 L C 1.760 178.785 176.870 0.258 0.000 1.138 182 L CA -0.203 54.837 54.840 0.334 0.000 0.832 182 L CB 0.192 42.499 42.059 0.413 0.000 1.124 182 L HN 0.364 nan 8.230 nan 0.000 0.454 183 L N 3.339 124.748 121.223 0.309 0.000 2.515 183 L HA 0.205 4.540 4.340 -0.007 0.000 0.223 183 L C -0.112 176.924 176.870 0.276 0.000 1.079 183 L CA 0.188 55.088 54.840 0.100 0.000 0.857 183 L CB 0.670 42.582 42.059 -0.245 0.000 1.050 183 L HN 0.326 nan 8.230 nan 0.000 0.476 184 V N -0.251 119.850 119.914 0.311 0.000 2.588 184 V HA 0.175 4.290 4.120 -0.007 0.000 0.304 184 V C 0.698 176.913 176.094 0.202 0.000 1.042 184 V CA -0.688 61.743 62.300 0.218 0.000 0.877 184 V CB 2.247 34.138 31.823 0.113 0.000 0.996 184 V HN 0.051 nan 8.190 nan 0.000 0.425 185 K N 1.869 122.245 120.400 -0.039 0.000 2.062 185 K HA -0.009 4.306 4.320 -0.007 0.000 0.205 185 K C 0.302 176.875 176.600 -0.044 0.000 1.051 185 K CA 1.496 57.668 56.287 -0.191 0.000 0.941 185 K CB 0.235 32.350 32.500 -0.641 0.000 0.719 185 K HN 0.750 nan 8.250 nan 0.000 0.440 186 D N 0.201 120.578 120.400 -0.038 0.000 2.952 186 D HA 0.105 4.740 4.640 -0.007 0.000 0.373 186 D C -1.754 174.552 176.300 0.010 0.000 1.360 186 D CA -0.106 53.887 54.000 -0.011 0.000 0.788 186 D CB 0.663 41.443 40.800 -0.035 0.000 1.192 186 D HN 0.032 nan 8.370 nan 0.000 0.462 187 D N -0.144 120.276 120.400 0.034 0.000 2.351 187 D HA 0.217 4.852 4.640 -0.007 0.000 0.235 187 D C 0.777 177.115 176.300 0.063 0.000 1.331 187 D CA -0.378 53.645 54.000 0.039 0.000 0.959 187 D CB 0.726 41.544 40.800 0.030 0.000 1.432 187 D HN 0.059 nan 8.370 nan 0.000 0.544 188 A N 2.879 125.737 122.820 0.063 0.000 1.972 188 A HA -0.141 4.174 4.320 -0.007 0.000 0.219 188 A C 1.621 179.254 177.584 0.082 0.000 1.169 188 A CA 1.321 53.405 52.037 0.079 0.000 0.635 188 A CB -0.004 19.035 19.000 0.064 0.000 0.810 188 A HN 0.490 nan 8.150 nan 0.000 0.446 189 D N 0.187 120.625 120.400 0.063 0.000 2.117 189 D HA -0.045 4.591 4.640 -0.007 0.000 0.198 189 D C 2.277 178.617 176.300 0.067 0.000 0.982 189 D CA 1.509 55.544 54.000 0.060 0.000 0.828 189 D CB -0.451 40.375 40.800 0.043 0.000 0.967 189 D HN 0.413 nan 8.370 nan 0.000 0.464 190 A N 0.936 123.793 122.820 0.060 0.000 1.902 190 A HA -0.225 4.090 4.320 -0.007 0.000 0.217 190 A C 1.982 179.614 177.584 0.079 0.000 1.181 190 A CA 2.110 54.181 52.037 0.055 0.000 0.623 190 A CB -0.698 18.327 19.000 0.042 0.000 0.818 190 A HN 0.190 nan 8.150 nan 0.000 0.443 191 D N -0.274 120.197 120.400 0.118 0.000 2.104 191 D HA -0.172 4.463 4.640 -0.007 0.000 0.194 191 D C 1.319 177.782 176.300 0.271 0.000 0.994 191 D CA 1.641 55.760 54.000 0.198 0.000 0.830 191 D CB -0.162 40.783 40.800 0.241 0.000 0.959 191 D HN 0.355 nan 8.370 nan 0.000 0.452 192 D N -0.259 120.266 120.400 0.208 0.000 2.116 192 D HA -0.155 4.480 4.640 -0.007 0.000 0.193 192 D C 1.983 178.394 176.300 0.185 0.000 0.998 192 D CA 1.567 55.690 54.000 0.205 0.000 0.836 192 D CB -0.604 40.272 40.800 0.126 0.000 0.951 192 D HN 0.342 nan 8.370 nan 0.000 0.449 193 A N 0.466 123.356 122.820 0.116 0.000 1.930 193 A HA -0.183 4.133 4.320 -0.007 0.000 0.217 193 A C 2.135 179.747 177.584 0.048 0.000 1.175 193 A CA 1.756 53.837 52.037 0.074 0.000 0.627 193 A CB -0.448 18.578 19.000 0.044 0.000 0.815 193 A HN 0.135 nan 8.150 nan 0.000 0.443 194 E N -0.799 119.412 120.200 0.018 0.000 2.047 194 E HA -0.181 4.164 4.350 -0.007 0.000 0.191 194 E C 1.662 178.170 176.600 -0.154 0.000 0.987 194 E CA 1.500 57.835 56.400 -0.108 0.000 0.799 194 E CB -0.406 29.180 29.700 -0.191 0.000 0.752 194 E HN 0.731 nan 8.360 nan 0.000 0.449 195 W N 0.754 122.016 121.300 -0.063 0.000 2.358 195 W HA -0.124 4.532 4.660 -0.007 0.000 0.303 195 W C 2.191 178.706 176.519 -0.006 0.000 1.208 195 W CA 1.181 58.452 57.345 -0.125 0.000 1.274 195 W CB -0.384 29.046 29.460 -0.050 0.000 1.138 195 W HN 0.216 nan 8.180 nan 0.000 0.515 196 D N 0.097 120.671 120.400 0.289 0.000 2.123 196 D HA -0.220 4.416 4.640 -0.007 0.000 0.196 196 D C 2.137 178.514 176.300 0.128 0.000 0.992 196 D CA 1.520 55.655 54.000 0.225 0.000 0.833 196 D CB -0.254 40.632 40.800 0.144 0.000 0.954 196 D HN -0.005 nan 8.370 nan 0.000 0.455 197 R N -0.324 120.202 120.500 0.043 0.000 2.073 197 R HA -0.082 4.254 4.340 -0.007 0.000 0.234 197 R C 2.527 178.789 176.300 -0.064 0.000 1.134 197 R CA 1.117 57.205 56.100 -0.021 0.000 0.952 197 R CB -0.308 29.959 30.300 -0.055 0.000 0.850 197 R HN 0.254 nan 8.270 nan 0.000 0.433 198 L N -0.534 120.615 121.223 -0.123 0.000 2.027 198 L HA -0.180 4.155 4.340 -0.007 0.000 0.206 198 L C 2.360 179.169 176.870 -0.102 0.000 1.074 198 L CA 1.204 55.920 54.840 -0.206 0.000 0.745 198 L CB -0.640 41.185 42.059 -0.389 0.000 0.898 198 L HN 0.196 nan 8.230 nan 0.000 0.433 199 Y N 0.333 120.638 120.300 0.008 0.000 2.224 199 Y HA -0.236 4.309 4.550 -0.008 0.000 0.289 199 Y C 2.874 178.759 175.900 -0.025 0.000 1.146 199 Y CA 1.561 59.674 58.100 0.021 0.000 1.182 199 Y CB -1.134 37.367 38.460 0.069 0.000 0.983 199 Y HN 0.138 nan 8.280 nan 0.000 0.524 200 T N -0.413 114.220 114.554 0.131 0.000 2.777 200 T HA -0.192 4.154 4.350 -0.007 0.000 0.266 200 T C 1.976 176.649 174.700 -0.045 0.000 1.040 200 T CA 1.582 63.707 62.100 0.042 0.000 1.141 200 T CB -0.141 68.742 68.868 0.024 0.000 0.868 200 T HN 0.235 nan 8.240 nan 0.000 0.444 201 K N 0.867 121.186 120.400 -0.136 0.000 2.057 201 K HA 0.026 4.342 4.320 -0.007 0.000 0.206 201 K C 2.522 178.828 176.600 -0.489 0.000 1.050 201 K CA 1.060 57.143 56.287 -0.340 0.000 0.935 201 K CB -0.275 31.968 32.500 -0.428 0.000 0.715 201 K HN 0.261 nan 8.250 nan 0.000 0.439 202 A N 1.366 124.010 122.820 -0.293 0.000 1.908 202 A HA -0.213 4.102 4.320 -0.007 0.000 0.218 202 A C 1.819 179.435 177.584 0.053 0.000 1.181 202 A CA 1.794 53.737 52.037 -0.158 0.000 0.627 202 A CB -0.505 18.507 19.000 0.020 0.000 0.818 202 A HN 0.463 nan 8.150 nan 0.000 0.445 203 E N -0.626 119.634 120.200 0.099 0.000 2.118 203 E HA -0.155 4.190 4.350 -0.007 0.000 0.195 203 E C 2.273 178.960 176.600 0.145 0.000 0.992 203 E CA 1.215 57.710 56.400 0.158 0.000 0.804 203 E CB -0.175 29.587 29.700 0.102 0.000 0.741 203 E HN 0.600 nan 8.360 nan 0.000 0.458 204 S N -0.433 115.302 115.700 0.058 0.000 2.356 204 S HA -0.164 4.302 4.470 -0.007 0.000 0.223 204 S C 1.822 176.554 174.600 0.219 0.000 1.032 204 S CA 0.923 59.178 58.200 0.091 0.000 1.005 204 S CB -0.219 62.997 63.200 0.026 0.000 0.867 204 S HN 0.267 nan 8.310 nan 0.000 0.449 205 Y N 0.333 120.646 120.300 0.023 0.000 2.165 205 Y HA -0.017 4.528 4.550 -0.008 0.000 0.286 205 Y C 2.076 178.008 175.900 0.053 0.000 1.155 205 Y CA 0.458 58.539 58.100 -0.032 0.000 1.164 205 Y CB -1.139 37.218 38.460 -0.172 0.000 0.978 205 Y HN 0.331 nan 8.280 nan 0.000 0.513 206 F N 0.182 120.289 119.950 0.262 0.000 2.710 206 F HA 0.013 4.536 4.527 -0.007 0.000 0.298 206 F C 0.874 176.785 175.800 0.186 0.000 1.137 206 F CA 0.219 58.363 58.000 0.239 0.000 1.444 206 F CB -0.384 38.779 39.000 0.271 0.000 1.111 206 F HN 0.011 nan 8.300 nan 0.000 0.580 207 Q N 0.436 120.426 119.800 0.316 0.000 2.468 207 Q HA -0.195 4.141 4.340 -0.007 0.000 0.289 207 Q C 0.064 176.153 176.000 0.149 0.000 1.299 207 Q CA 0.797 56.713 55.803 0.188 0.000 0.838 207 Q CB -2.685 26.140 28.738 0.145 0.000 1.195 207 Q HN 0.225 nan 8.270 nan 0.000 0.456 208 T N -0.004 114.651 114.554 0.168 0.000 2.916 208 T HA 0.446 4.792 4.350 -0.007 0.000 0.303 208 T C 0.791 175.526 174.700 0.057 0.000 1.025 208 T CA 0.567 62.729 62.100 0.103 0.000 1.142 208 T CB 1.321 70.257 68.868 0.114 0.000 0.947 208 T HN 0.491 nan 8.240 nan 0.000 0.544 209 G N 0.600 109.419 108.800 0.032 0.000 2.684 209 G HA2 0.550 4.505 3.960 -0.007 0.000 0.290 209 G HA3 0.550 4.505 3.960 -0.007 0.000 0.290 209 G C 0.072 174.986 174.900 0.024 0.000 1.425 209 G CA -0.561 44.550 45.100 0.019 0.000 0.822 209 G HN 0.633 nan 8.290 nan 0.000 0.482 210 T N -2.444 112.125 114.554 0.026 0.000 3.288 210 T HA 0.259 4.604 4.350 -0.007 0.000 0.293 210 T C 0.200 174.928 174.700 0.046 0.000 1.008 210 T CA 0.544 62.670 62.100 0.044 0.000 0.929 210 T CB 0.357 69.253 68.868 0.046 0.000 1.152 210 T HN 0.506 nan 8.240 nan 0.000 0.517 211 D N 0.424 120.833 120.400 0.016 0.000 2.474 211 D HA 0.041 4.676 4.640 -0.007 0.000 0.213 211 D C 1.342 177.598 176.300 -0.073 0.000 1.120 211 D CA -0.022 53.968 54.000 -0.016 0.000 0.836 211 D CB -0.020 40.761 40.800 -0.032 0.000 1.019 211 D HN 0.285 nan 8.370 nan 0.000 0.507 212 Q N -0.378 119.376 119.800 -0.077 0.000 2.369 212 Q HA 0.156 4.492 4.340 -0.007 0.000 0.206 212 Q C 0.388 176.053 176.000 -0.558 0.000 0.963 212 Q CA 0.847 56.480 55.803 -0.283 0.000 0.894 212 Q CB -0.221 28.334 28.738 -0.305 0.000 0.965 212 Q HN 0.298 nan 8.270 nan 0.000 0.475 213 F N -0.058 119.748 119.950 -0.240 0.000 2.698 213 F HA 0.215 4.737 4.527 -0.007 0.000 0.304 213 F C 1.308 176.925 175.800 -0.305 0.000 1.108 213 F CA -0.512 57.298 58.000 -0.315 0.000 1.263 213 F CB 0.418 39.145 39.000 -0.455 0.000 1.013 213 F HN -0.007 nan 8.300 nan 0.000 0.532 214 K N 0.322 120.661 120.400 -0.101 0.000 2.209 214 K HA -0.105 4.211 4.320 -0.007 0.000 0.204 214 K C 0.746 177.356 176.600 0.015 0.000 1.048 214 K CA 1.539 57.833 56.287 0.011 0.000 0.940 214 K CB -0.159 32.335 32.500 -0.010 0.000 0.729 214 K HN 0.309 nan 8.250 nan 0.000 0.451 215 E N 1.591 121.699 120.200 -0.153 0.000 2.465 215 E HA 0.032 4.378 4.350 -0.007 0.000 0.195 215 E C -0.440 176.142 176.600 -0.030 0.000 1.028 215 E CA -0.160 56.033 56.400 -0.345 0.000 0.899 215 E CB 0.787 30.128 29.700 -0.599 0.000 1.032 215 E HN 0.204 nan 8.360 nan 0.000 0.468 216 S N 0.897 116.669 115.700 0.120 0.000 2.499 216 S HA 0.177 4.643 4.470 -0.007 0.000 0.275 216 S C 1.249 175.984 174.600 0.226 0.000 1.257 216 S CA -0.452 57.853 58.200 0.174 0.000 1.050 216 S CB 0.435 63.783 63.200 0.247 0.000 0.937 216 S HN 0.151 nan 8.310 nan 0.000 0.490 217 I N 5.056 125.632 120.570 0.009 0.000 2.179 217 I HA -0.163 4.003 4.170 -0.007 0.000 0.242 217 I C 2.689 178.781 176.117 -0.043 0.000 1.088 217 I CA 1.131 62.252 61.300 -0.299 0.000 1.357 217 I CB -0.196 37.368 38.000 -0.726 0.000 1.051 217 I HN 0.697 nan 8.210 nan 0.000 0.409 218 R N -0.463 120.044 120.500 0.012 0.000 2.081 218 R HA -0.237 4.098 4.340 -0.007 0.000 0.235 218 R C 2.372 178.754 176.300 0.137 0.000 1.131 218 R CA 1.810 57.951 56.100 0.068 0.000 0.960 218 R CB -0.712 29.623 30.300 0.059 0.000 0.856 218 R HN 0.418 nan 8.270 nan 0.000 0.436 219 H N 1.121 120.254 119.070 0.105 0.000 2.319 219 H HA -0.082 4.470 4.556 -0.008 0.000 0.299 219 H C 1.862 177.285 175.328 0.157 0.000 1.092 219 H CA 1.951 58.073 56.048 0.122 0.000 1.302 219 H CB -0.148 29.718 29.762 0.173 0.000 1.373 219 H HN 0.150 nan 8.280 nan 0.000 0.497 220 N N -0.140 118.707 118.700 0.246 0.000 2.084 220 N HA -0.148 4.588 4.740 -0.007 0.000 0.190 220 N C 1.982 177.612 175.510 0.199 0.000 1.030 220 N CA 1.174 54.382 53.050 0.263 0.000 0.849 220 N CB -0.242 38.605 38.487 0.599 0.000 1.012 220 N HN 0.268 nan 8.380 nan 0.000 0.423 221 L N 1.428 122.803 121.223 0.253 0.000 2.013 221 L HA -0.149 4.187 4.340 -0.007 0.000 0.212 221 L C 2.235 179.151 176.870 0.077 0.000 1.073 221 L CA 1.376 56.336 54.840 0.200 0.000 0.753 221 L CB -0.662 41.504 42.059 0.178 0.000 0.890 221 L HN -0.074 nan 8.230 nan 0.000 0.432 222 V N -0.971 118.956 119.914 0.022 0.000 2.283 222 V HA -0.264 3.852 4.120 -0.007 0.000 0.243 222 V C 2.419 178.447 176.094 -0.110 0.000 1.039 222 V CA 1.787 64.069 62.300 -0.031 0.000 1.016 222 V CB -0.462 31.324 31.823 -0.062 0.000 0.650 222 V HN 0.469 nan 8.190 nan 0.000 0.449 223 L N 0.360 121.481 121.223 -0.170 0.000 2.017 223 L HA -0.199 4.137 4.340 -0.007 0.000 0.208 223 L C 2.480 179.273 176.870 -0.128 0.000 1.073 223 L CA 1.808 56.536 54.840 -0.187 0.000 0.745 223 L CB -0.463 41.446 42.059 -0.250 0.000 0.894 223 L HN 0.388 nan 8.230 nan 0.000 0.432 224 N N 0.129 118.797 118.700 -0.054 0.000 2.149 224 N HA -0.239 4.497 4.740 -0.007 0.000 0.188 224 N C 1.755 177.233 175.510 -0.053 0.000 1.019 224 N CA 1.330 54.364 53.050 -0.027 0.000 0.857 224 N CB -0.278 38.211 38.487 0.003 0.000 0.997 224 N HN 0.241 nan 8.380 nan 0.000 0.426 225 K N 1.432 121.798 120.400 -0.057 0.000 2.025 225 K HA 0.064 4.379 4.320 -0.007 0.000 0.207 225 K C 2.009 178.551 176.600 -0.097 0.000 1.049 225 K CA 0.867 57.122 56.287 -0.053 0.000 0.933 225 K CB -0.473 32.017 32.500 -0.017 0.000 0.714 225 K HN 0.103 nan 8.250 nan 0.000 0.438 226 L N 0.154 121.245 121.223 -0.220 0.000 2.046 226 L HA -0.110 4.225 4.340 -0.007 0.000 0.208 226 L C 2.513 179.175 176.870 -0.348 0.000 1.077 226 L CA 1.256 55.840 54.840 -0.426 0.000 0.747 226 L CB -0.754 40.639 42.059 -1.110 0.000 0.896 226 L HN 0.285 nan 8.230 nan 0.000 0.432 227 A N 1.005 123.667 122.820 -0.264 0.000 1.908 227 A HA -0.253 4.062 4.320 -0.007 0.000 0.218 227 A C 2.233 179.877 177.584 0.100 0.000 1.181 227 A CA 2.011 54.090 52.037 0.069 0.000 0.627 227 A CB -0.556 18.498 19.000 0.090 0.000 0.818 227 A HN 0.663 nan 8.150 nan 0.000 0.445 228 E N -0.980 119.234 120.200 0.023 0.000 2.152 228 E HA -0.149 4.196 4.350 -0.007 0.000 0.192 228 E C 1.325 177.928 176.600 0.005 0.000 0.983 228 E CA 1.025 57.434 56.400 0.015 0.000 0.818 228 E CB -0.256 29.433 29.700 -0.018 0.000 0.758 228 E HN 0.474 nan 8.360 nan 0.000 0.467 229 E N 0.219 120.411 120.200 -0.013 0.000 2.358 229 E HA -0.081 4.265 4.350 -0.007 0.000 0.195 229 E C 0.772 177.222 176.600 -0.250 0.000 1.010 229 E CA 0.640 56.961 56.400 -0.131 0.000 0.856 229 E CB -0.031 29.556 29.700 -0.187 0.000 0.795 229 E HN 0.500 nan 8.360 nan 0.000 0.504 230 Y N 0.791 121.132 120.300 0.068 0.000 2.461 230 Y HA 0.052 4.597 4.550 -0.008 0.000 0.277 230 Y C 0.204 176.151 175.900 0.078 0.000 1.182 230 Y CA -0.193 57.972 58.100 0.109 0.000 1.276 230 Y CB 0.392 38.994 38.460 0.236 0.000 1.087 230 Y HN -0.210 nan 8.280 nan 0.000 0.519 231 K N -0.201 120.265 120.400 0.109 0.000 3.071 231 K HA -0.241 4.074 4.320 -0.007 0.000 0.265 231 K C 1.137 177.790 176.600 0.089 0.000 1.060 231 K CA 0.845 57.171 56.287 0.065 0.000 0.767 231 K CB -2.310 30.203 32.500 0.021 0.000 1.241 231 K HN 0.679 nan 8.250 nan 0.000 0.486 232 G N -0.691 108.182 108.800 0.122 0.000 2.205 232 G HA2 -0.372 3.584 3.960 -0.007 0.000 0.261 232 G HA3 -0.372 3.584 3.960 -0.007 0.000 0.261 232 G C 0.707 175.671 174.900 0.107 0.000 0.980 232 G CA 0.516 45.680 45.100 0.105 0.000 0.632 232 G HN 0.332 nan 8.290 nan 0.000 0.533 233 Q N -0.331 119.548 119.800 0.132 0.000 2.408 233 Q HA 0.206 4.541 4.340 -0.007 0.000 0.205 233 Q C 1.235 177.297 176.000 0.103 0.000 0.919 233 Q CA 0.620 56.490 55.803 0.111 0.000 0.932 233 Q CB 0.566 29.372 28.738 0.113 0.000 1.058 233 Q HN 0.689 nan 8.270 nan 0.000 0.517 234 R N 0.871 121.433 120.500 0.104 0.000 2.532 234 R HA 0.355 4.691 4.340 -0.007 0.000 0.297 234 R C -1.171 175.086 176.300 -0.072 0.000 0.984 234 R CA -0.620 55.437 56.100 -0.071 0.000 0.884 234 R CB 1.469 31.522 30.300 -0.412 0.000 1.182 234 R HN -0.096 nan 8.270 nan 0.000 0.442 235 D N 2.354 122.663 120.400 -0.151 0.000 2.210 235 D HA 0.292 4.928 4.640 -0.007 0.000 0.249 235 D C -0.645 175.457 176.300 -0.330 0.000 1.078 235 D CA 0.143 54.093 54.000 -0.084 0.000 0.875 235 D CB 0.911 41.695 40.800 -0.028 0.000 1.175 235 D HN 0.192 nan 8.370 nan 0.000 0.440 236 F N 1.094 121.047 119.950 0.006 0.000 2.469 236 F HA 0.359 4.881 4.527 -0.008 0.000 0.332 236 F C 0.716 176.528 175.800 0.020 0.000 1.103 236 F CA -0.696 57.302 58.000 -0.005 0.000 0.979 236 F CB 1.571 40.563 39.000 -0.014 0.000 1.137 236 F HN 0.189 nan 8.300 nan 0.000 0.463 237 Q N 0.793 120.685 119.800 0.154 0.000 2.626 237 Q HA 0.381 4.717 4.340 -0.007 0.000 0.300 237 Q C -1.395 174.708 176.000 0.172 0.000 0.988 237 Q CA -1.312 54.576 55.803 0.142 0.000 0.761 237 Q CB 1.770 30.558 28.738 0.084 0.000 1.494 237 Q HN 0.616 nan 8.270 nan 0.000 0.439 238 Q N 0.906 120.832 119.800 0.210 0.000 2.337 238 Q HA 0.207 4.542 4.340 -0.007 0.000 0.270 238 Q C -0.506 175.562 176.000 0.114 0.000 1.002 238 Q CA -0.204 55.736 55.803 0.228 0.000 0.888 238 Q CB 0.512 29.358 28.738 0.181 0.000 1.222 238 Q HN 0.585 nan 8.270 nan 0.000 0.400 239 I N 6.571 127.189 120.570 0.081 0.000 2.821 239 I HA -0.087 4.079 4.170 -0.007 0.000 0.294 239 I C -1.974 174.160 176.117 0.028 0.000 1.210 239 I CA -1.235 60.087 61.300 0.036 0.000 1.430 239 I CB 0.094 38.087 38.000 -0.011 0.000 1.356 239 I HN 0.452 nan 8.210 nan 0.000 0.563 240 P HA 0.203 nan 4.420 nan 0.000 0.271 240 P C -0.924 176.365 177.300 -0.018 0.000 1.233 240 P CA 0.198 63.298 63.100 0.000 0.000 0.764 240 P CB 0.411 32.098 31.700 -0.023 0.000 0.825 241 L N 2.556 123.781 121.223 0.003 0.000 2.362 241 L HA 0.621 4.957 4.340 -0.007 0.000 0.275 241 L C 0.322 177.184 176.870 -0.014 0.000 0.998 241 L CA -1.151 53.687 54.840 -0.003 0.000 0.820 241 L CB 2.076 44.202 42.059 0.112 0.000 1.270 241 L HN 0.247 nan 8.230 nan 0.000 0.415 242 A N 3.315 126.083 122.820 -0.087 0.000 2.539 242 A HA 0.753 5.069 4.320 -0.007 0.000 0.306 242 A C 0.061 177.671 177.584 0.043 0.000 1.392 242 A CA 0.140 52.170 52.037 -0.011 0.000 1.060 242 A CB -0.315 18.617 19.000 -0.112 0.000 1.134 242 A HN 0.819 nan 8.150 nan 0.000 0.542 243 A N 1.985 124.803 122.820 -0.004 0.000 2.581 243 A HA 0.708 5.023 4.320 -0.007 0.000 0.294 243 A C -0.525 176.953 177.584 -0.176 0.000 1.035 243 A CA -0.462 51.477 52.037 -0.164 0.000 0.684 243 A CB 0.643 19.372 19.000 -0.451 0.000 1.282 243 A HN 0.697 nan 8.150 nan 0.000 0.417 244 T N 1.413 115.833 114.554 -0.224 0.000 2.879 244 T HA 0.507 4.853 4.350 -0.007 0.000 0.290 244 T C -0.077 174.477 174.700 -0.244 0.000 0.993 244 T CA -0.448 61.548 62.100 -0.174 0.000 0.975 244 T CB 1.292 70.112 68.868 -0.080 0.000 0.981 244 T HN 0.749 nan 8.240 nan 0.000 0.439 245 R N 2.287 122.632 120.500 -0.259 0.000 2.389 245 R HA 0.267 4.602 4.340 -0.007 0.000 0.295 245 R C 0.763 176.979 176.300 -0.140 0.000 1.075 245 R CA -0.390 55.548 56.100 -0.269 0.000 1.005 245 R CB 0.401 30.505 30.300 -0.326 0.000 0.987 245 R HN 0.418 nan 8.270 nan 0.000 0.452 246 R N 1.153 121.619 120.500 -0.057 0.000 2.225 246 R HA 0.131 4.466 4.340 -0.007 0.000 0.194 246 R C 0.212 176.494 176.300 -0.031 0.000 0.957 246 R CA 0.649 56.740 56.100 -0.014 0.000 1.042 246 R CB 0.368 30.698 30.300 0.051 0.000 1.004 246 R HN 0.771 nan 8.270 nan 0.000 0.509 247 S N -1.334 114.352 115.700 -0.022 0.000 2.643 247 S HA 0.383 4.849 4.470 -0.007 0.000 0.270 247 S C -2.629 171.933 174.600 -0.064 0.000 1.166 247 S CA -1.066 57.113 58.200 -0.036 0.000 0.815 247 S CB 2.192 65.391 63.200 -0.002 0.000 1.139 247 S HN -0.267 nan 8.310 nan 0.000 0.472 248 P HA 0.056 nan 4.420 nan 0.000 0.225 248 P C 0.950 178.214 177.300 -0.059 0.000 1.148 248 P CA 1.523 64.572 63.100 -0.085 0.000 0.779 248 P CB -0.197 31.468 31.700 -0.060 0.000 0.780 249 T N -6.319 108.233 114.554 -0.003 0.000 3.200 249 T HA 0.326 4.671 4.350 -0.007 0.000 0.284 249 T C -0.309 174.448 174.700 0.096 0.000 1.009 249 T CA -0.418 61.703 62.100 0.035 0.000 0.907 249 T CB -0.733 68.171 68.868 0.062 0.000 1.120 249 T HN -0.115 nan 8.240 nan 0.000 0.534 250 F N 1.265 121.156 119.950 -0.098 0.000 2.573 250 F HA 0.651 5.174 4.527 -0.007 0.000 0.316 250 F C -1.678 173.999 175.800 -0.206 0.000 1.148 250 F CA -0.958 56.980 58.000 -0.102 0.000 0.940 250 F CB 1.967 40.922 39.000 -0.075 0.000 1.214 250 F HN -0.087 nan 8.300 nan 0.000 0.448 251 V N 5.015 124.516 119.914 -0.689 0.000 2.487 251 V HA 0.296 4.412 4.120 -0.007 0.000 0.298 251 V C -0.479 175.070 176.094 -0.909 0.000 1.028 251 V CA -0.841 60.996 62.300 -0.771 0.000 0.860 251 V CB 1.748 32.903 31.823 -1.112 0.000 0.991 251 V HN 0.729 nan 8.190 nan 0.000 0.427 252 E N 4.369 124.310 120.200 -0.432 0.000 1.963 252 E HA 0.163 4.509 4.350 -0.007 0.000 0.274 252 E C -1.074 175.351 176.600 -0.293 0.000 1.061 252 E CA -0.572 55.733 56.400 -0.160 0.000 0.847 252 E CB 0.422 30.169 29.700 0.079 0.000 1.083 252 E HN 0.634 nan 8.360 nan 0.000 0.402 253 W N 2.733 123.941 121.300 -0.153 0.000 2.210 253 W HA 0.081 4.739 4.660 -0.005 0.000 0.330 253 W C 0.715 177.266 176.519 0.054 0.000 1.334 253 W CA -0.468 56.766 57.345 -0.185 0.000 1.227 253 W CB 0.740 29.855 29.460 -0.574 0.000 1.178 253 W HN 0.303 nan 8.180 nan 0.000 0.560 254 S N 1.598 117.515 115.700 0.362 0.000 2.645 254 S HA 0.638 5.103 4.470 -0.007 0.000 0.266 254 S C 0.153 175.194 174.600 0.735 0.000 1.258 254 S CA -0.555 57.924 58.200 0.465 0.000 0.990 254 S CB 1.238 64.714 63.200 0.460 0.000 0.967 254 S HN 0.526 nan 8.310 nan 0.000 0.556 255 S N -0.516 115.561 115.700 0.628 0.000 2.724 255 S HA 0.669 5.135 4.470 -0.007 0.000 0.278 255 S C 0.764 175.562 174.600 0.329 0.000 1.190 255 S CA -0.306 58.197 58.200 0.505 0.000 0.860 255 S CB 0.450 63.870 63.200 0.367 0.000 1.206 255 S HN 0.737 nan 8.310 nan 0.000 0.507 256 A N 1.658 124.564 122.820 0.143 0.000 1.927 256 A HA -0.194 4.122 4.320 -0.007 0.000 0.220 256 A C 2.026 179.653 177.584 0.072 0.000 1.185 256 A CA 2.224 54.301 52.037 0.068 0.000 0.639 256 A CB -1.603 17.407 19.000 0.016 0.000 0.820 256 A HN 0.868 nan 8.150 nan 0.000 0.451 257 N N -0.556 118.196 118.700 0.086 0.000 2.149 257 N HA -0.162 4.574 4.740 -0.007 0.000 0.188 257 N C 1.584 177.118 175.510 0.040 0.000 1.019 257 N CA 2.085 55.160 53.050 0.042 0.000 0.857 257 N CB -0.278 38.247 38.487 0.064 0.000 0.997 257 N HN 0.479 nan 8.380 nan 0.000 0.426 258 T N 0.632 115.259 114.554 0.122 0.000 2.720 258 T HA -0.088 4.258 4.350 -0.007 0.000 0.268 258 T C 2.082 176.813 174.700 0.052 0.000 1.037 258 T CA 1.362 63.538 62.100 0.127 0.000 1.144 258 T CB -0.316 68.705 68.868 0.255 0.000 0.864 258 T HN 0.060 nan 8.240 nan 0.000 0.444 259 V N -0.475 119.453 119.914 0.022 0.000 2.323 259 V HA 0.135 4.251 4.120 -0.007 0.000 0.244 259 V C 0.544 176.586 176.094 -0.086 0.000 1.041 259 V CA 1.012 63.240 62.300 -0.119 0.000 1.025 259 V CB -0.362 31.345 31.823 -0.194 0.000 0.656 259 V HN 0.487 nan 8.190 nan 0.000 0.451 260 F N 0.839 120.658 119.950 -0.218 0.000 2.605 260 F HA 0.390 4.912 4.527 -0.008 0.000 0.320 260 F C 0.202 175.883 175.800 -0.198 0.000 1.159 260 F CA -1.687 56.158 58.000 -0.259 0.000 0.999 260 F CB 1.438 40.232 39.000 -0.343 0.000 1.258 260 F HN 0.161 nan 8.300 nan 0.000 0.464 261 D N 4.762 124.686 120.400 -0.793 0.000 2.371 261 D HA -0.043 4.593 4.640 -0.007 0.000 0.221 261 D C 1.191 177.202 176.300 -0.482 0.000 0.986 261 D CA 1.087 54.784 54.000 -0.505 0.000 0.899 261 D CB -0.062 40.504 40.800 -0.391 0.000 0.902 261 D HN 0.685 nan 8.370 nan 0.000 0.530 262 L N -2.001 118.756 121.223 -0.776 0.000 4.625 262 L HA -0.249 4.086 4.340 -0.007 0.000 0.428 262 L C -0.141 176.694 176.870 -0.059 0.000 1.129 262 L CA 0.512 55.200 54.840 -0.254 0.000 0.978 262 L CB -1.400 40.661 42.059 0.003 0.000 2.043 262 L HN 0.239 nan 8.230 nan 0.000 0.847 263 Q N 0.895 120.559 119.800 -0.226 0.000 2.352 263 Q HA 0.229 4.565 4.340 -0.007 0.000 0.260 263 Q C 0.381 176.447 176.000 0.109 0.000 0.976 263 Q CA -0.092 55.673 55.803 -0.063 0.000 0.881 263 Q CB 0.650 29.316 28.738 -0.120 0.000 1.235 263 Q HN 0.131 nan 8.270 nan 0.000 0.419 264 N N 1.839 120.599 118.700 0.099 0.000 2.492 264 N HA 0.121 4.856 4.740 -0.007 0.000 0.260 264 N C -0.318 175.264 175.510 0.120 0.000 1.215 264 N CA 0.316 53.437 53.050 0.118 0.000 0.923 264 N CB 0.620 39.082 38.487 -0.041 0.000 1.092 264 N HN 0.254 nan 8.380 nan 0.000 0.448 265 R N 1.216 121.824 120.500 0.179 0.000 2.807 265 R HA 0.492 4.828 4.340 -0.007 0.000 0.276 265 R C -2.430 173.957 176.300 0.146 0.000 0.979 265 R CA -1.622 54.575 56.100 0.162 0.000 0.928 265 R CB 1.878 32.309 30.300 0.219 0.000 1.191 265 R HN 0.396 nan 8.270 nan 0.000 0.471 266 P HA 0.061 nan 4.420 nan 0.000 0.271 266 P C -1.330 176.026 177.300 0.094 0.000 1.218 266 P CA -0.157 63.040 63.100 0.162 0.000 0.780 266 P CB 0.644 32.489 31.700 0.242 0.000 0.901 267 N N -0.944 117.797 118.700 0.069 0.000 2.972 267 N HA 0.236 4.972 4.740 -0.007 0.000 0.262 267 N C 0.601 176.123 175.510 0.020 0.000 1.478 267 N CA -0.759 52.311 53.050 0.034 0.000 0.841 267 N CB -0.538 37.959 38.487 0.015 0.000 1.512 267 N HN 0.052 nan 8.380 nan 0.000 0.548 268 T N -0.760 113.798 114.554 0.006 0.000 2.720 268 T HA -0.115 4.231 4.350 -0.007 0.000 0.268 268 T C 0.348 175.042 174.700 -0.009 0.000 1.037 268 T CA 1.729 63.828 62.100 -0.001 0.000 1.144 268 T CB -0.448 68.416 68.868 -0.006 0.000 0.864 268 T HN 0.526 nan 8.240 nan 0.000 0.444 269 D N 1.047 121.438 120.400 -0.015 0.000 2.277 269 D HA 0.190 4.826 4.640 -0.007 0.000 0.208 269 D C 0.803 177.092 176.300 -0.018 0.000 0.962 269 D CA 0.447 54.434 54.000 -0.022 0.000 0.865 269 D CB 0.109 40.889 40.800 -0.034 0.000 0.939 269 D HN 0.408 nan 8.370 nan 0.000 0.510 270 A N 1.079 123.895 122.820 -0.006 0.000 3.266 270 A HA 0.327 4.642 4.320 -0.007 0.000 0.310 270 A C -2.004 175.594 177.584 0.024 0.000 1.066 270 A CA -0.862 51.178 52.037 0.007 0.000 0.839 270 A CB 1.008 20.020 19.000 0.021 0.000 1.192 270 A HN -0.163 nan 8.150 nan 0.000 0.496 271 P HA -0.062 nan 4.420 nan 0.000 0.233 271 P C 0.467 177.733 177.300 -0.056 0.000 1.167 271 P CA 1.117 64.216 63.100 -0.001 0.000 0.770 271 P CB 0.385 32.064 31.700 -0.036 0.000 0.837 272 E N -0.601 119.523 120.200 -0.127 0.000 2.538 272 E HA 0.122 4.467 4.350 -0.007 0.000 0.207 272 E C 0.136 176.744 176.600 0.012 0.000 1.002 272 E CA -0.138 56.050 56.400 -0.354 0.000 0.952 272 E CB 0.412 29.859 29.700 -0.422 0.000 1.031 272 E HN 0.428 nan 8.360 nan 0.000 0.476 273 E N 1.062 121.353 120.200 0.151 0.000 2.250 273 E HA 0.442 4.787 4.350 -0.007 0.000 0.269 273 E C -0.257 176.526 176.600 0.305 0.000 1.018 273 E CA -0.506 56.025 56.400 0.218 0.000 0.873 273 E CB 1.365 31.163 29.700 0.162 0.000 1.134 273 E HN -0.094 nan 8.360 nan 0.000 0.403 274 R N 1.821 122.486 120.500 0.276 0.000 2.500 274 R HA 0.412 4.748 4.340 -0.007 0.000 0.299 274 R C -1.611 174.857 176.300 0.279 0.000 1.038 274 R CA -0.531 55.707 56.100 0.229 0.000 0.903 274 R CB 0.993 31.385 30.300 0.153 0.000 1.177 274 R HN 0.411 nan 8.270 nan 0.000 0.455 275 F N 2.219 122.214 119.950 0.075 0.000 2.604 275 F HA 0.436 4.958 4.527 -0.008 0.000 0.316 275 F C -1.727 174.039 175.800 -0.058 0.000 1.136 275 F CA -0.620 57.400 58.000 0.034 0.000 0.989 275 F CB 2.001 41.085 39.000 0.140 0.000 1.258 275 F HN 0.385 nan 8.300 nan 0.000 0.451 276 N N 4.828 122.867 118.700 -1.101 0.000 2.295 276 N HA 0.588 5.323 4.740 -0.007 0.000 0.293 276 N C -2.032 172.478 175.510 -1.666 0.000 1.040 276 N CA -0.633 51.720 53.050 -1.161 0.000 0.840 276 N CB 2.338 40.318 38.487 -0.844 0.000 1.468 276 N HN 0.571 nan 8.380 nan 0.000 0.478 277 L N 2.547 123.003 121.223 -1.277 0.000 2.295 277 L HA 0.647 4.983 4.340 -0.007 0.000 0.285 277 L C -1.630 174.679 176.870 -0.934 0.000 1.035 277 L CA -0.281 54.042 54.840 -0.860 0.000 0.806 277 L CB 0.225 42.133 42.059 -0.252 0.000 1.214 277 L HN 0.465 nan 8.230 nan 0.000 0.426 278 F N 6.136 125.860 119.950 -0.377 0.000 2.443 278 F HA 0.536 5.058 4.527 -0.008 0.000 0.369 278 F C -2.167 173.594 175.800 -0.064 0.000 1.090 278 F CA -2.018 55.850 58.000 -0.220 0.000 1.129 278 F CB 0.777 39.616 39.000 -0.269 0.000 1.367 278 F HN 0.412 nan 8.300 nan 0.000 0.465 279 P HA 0.312 nan 4.420 nan 0.000 0.276 279 P C 0.022 177.386 177.300 0.106 0.000 1.261 279 P CA -0.157 62.991 63.100 0.081 0.000 0.800 279 P CB 0.964 32.689 31.700 0.042 0.000 1.066 280 A N -1.167 121.697 122.820 0.074 0.000 2.783 280 A HA -0.110 4.205 4.320 -0.007 0.000 0.292 280 A C -0.036 177.584 177.584 0.060 0.000 1.495 280 A CA 0.781 52.854 52.037 0.060 0.000 0.787 280 A CB -2.424 16.610 19.000 0.056 0.000 1.017 280 A HN 0.250 nan 8.150 nan 0.000 0.516 281 V N -0.246 119.720 119.914 0.088 0.000 2.409 281 V HA 0.656 4.771 4.120 -0.007 0.000 0.290 281 V C 0.603 176.711 176.094 0.022 0.000 1.017 281 V CA -0.341 62.011 62.300 0.087 0.000 0.841 281 V CB 1.434 33.396 31.823 0.232 0.000 1.003 281 V HN 1.448 nan 8.190 nan 0.000 0.426 282 A N 4.222 127.032 122.820 -0.017 0.000 2.354 282 A HA 0.455 4.770 4.320 -0.007 0.000 0.281 282 A C 0.143 177.703 177.584 -0.039 0.000 1.174 282 A CA -0.132 51.874 52.037 -0.052 0.000 0.828 282 A CB -0.077 18.938 19.000 0.025 0.000 1.099 282 A HN 0.862 nan 8.150 nan 0.000 0.516 283 C N 2.760 122.010 119.300 -0.084 0.000 2.347 283 C HA 0.389 4.845 4.460 -0.007 0.000 0.353 283 C C 1.325 176.273 174.990 -0.071 0.000 1.273 283 C CA -0.274 58.684 59.018 -0.100 0.000 1.861 283 C CB -0.203 27.470 27.740 -0.111 0.000 2.420 283 C HN 1.018 nan 8.230 nan 0.000 0.542 284 E N 0.785 120.959 120.200 -0.042 0.000 2.364 284 E HA 0.149 4.494 4.350 -0.007 0.000 0.203 284 E C 0.116 176.681 176.600 -0.059 0.000 0.888 284 E CA 0.317 56.692 56.400 -0.042 0.000 0.989 284 E CB 0.565 30.252 29.700 -0.022 0.000 0.985 284 E HN 0.611 nan 8.360 nan 0.000 0.499 285 R N 0.825 121.303 120.500 -0.036 0.000 2.561 285 R HA 0.261 4.596 4.340 -0.007 0.000 0.266 285 R C -1.114 175.177 176.300 -0.015 0.000 1.091 285 R CA -0.482 55.587 56.100 -0.052 0.000 0.927 285 R CB 2.381 32.603 30.300 -0.131 0.000 1.240 285 R HN -0.088 nan 8.270 nan 0.000 0.449 286 V N -0.127 119.759 119.914 -0.047 0.000 2.539 286 V HA 0.593 4.708 4.120 -0.007 0.000 0.292 286 V C 0.084 176.152 176.094 -0.044 0.000 1.045 286 V CA -0.769 61.475 62.300 -0.093 0.000 0.945 286 V CB 1.746 33.453 31.823 -0.193 0.000 0.993 286 V HN 0.398 nan 8.190 nan 0.000 0.464 287 V N 5.391 125.272 119.914 -0.054 0.000 2.348 287 V HA 0.443 4.559 4.120 -0.007 0.000 0.270 287 V C 0.612 176.701 176.094 -0.009 0.000 1.037 287 V CA -0.456 61.842 62.300 -0.003 0.000 0.872 287 V CB 0.622 32.480 31.823 0.058 0.000 1.002 287 V HN 0.933 nan 8.190 nan 0.000 0.464 288 R N 3.770 124.280 120.500 0.017 0.000 2.490 288 R HA 0.296 4.632 4.340 -0.007 0.000 0.278 288 R C 0.428 176.761 176.300 0.055 0.000 1.069 288 R CA -0.559 55.596 56.100 0.091 0.000 1.080 288 R CB 0.647 30.981 30.300 0.057 0.000 1.030 288 R HN 0.858 nan 8.270 nan 0.000 0.491 289 N N 1.460 120.203 118.700 0.071 0.000 2.294 289 N HA 0.009 4.745 4.740 -0.007 0.000 0.248 289 N C 0.538 176.039 175.510 -0.015 0.000 1.300 289 N CA 0.109 53.171 53.050 0.020 0.000 0.925 289 N CB 0.308 38.805 38.487 0.016 0.000 1.188 289 N HN 0.545 nan 8.380 nan 0.000 0.512 290 A N -0.682 122.123 122.820 -0.026 0.000 1.969 290 A HA -0.060 4.255 4.320 -0.007 0.000 0.218 290 A C 1.878 179.424 177.584 -0.064 0.000 1.169 290 A CA 0.917 52.930 52.037 -0.039 0.000 0.635 290 A CB -0.666 18.316 19.000 -0.030 0.000 0.810 290 A HN 0.536 nan 8.150 nan 0.000 0.445 291 L N -0.532 120.641 121.223 -0.084 0.000 2.558 291 L HA 0.145 4.480 4.340 -0.007 0.000 0.225 291 L C -0.008 176.738 176.870 -0.207 0.000 1.128 291 L CA 0.543 55.312 54.840 -0.118 0.000 0.868 291 L CB -0.752 41.243 42.059 -0.106 0.000 1.006 291 L HN 0.479 nan 8.230 nan 0.000 0.454 292 N N -0.404 118.146 118.700 -0.250 0.000 2.740 292 N HA -0.203 4.532 4.740 -0.007 0.000 0.248 292 N C 0.933 175.732 175.510 -1.185 0.000 1.062 292 N CA 0.995 53.729 53.050 -0.527 0.000 0.704 292 N CB -1.572 36.753 38.487 -0.270 0.000 0.968 292 N HN 0.612 nan 8.380 nan 0.000 0.547 293 S N -2.294 112.959 115.700 -0.745 0.000 2.559 293 S HA 0.318 4.783 4.470 -0.007 0.000 0.226 293 S C 0.326 174.765 174.600 -0.268 0.000 1.030 293 S CA -0.149 57.708 58.200 -0.571 0.000 0.956 293 S CB 1.498 64.555 63.200 -0.237 0.000 0.900 293 S HN 0.339 nan 8.310 nan 0.000 0.510 294 E N 0.101 120.267 120.200 -0.055 0.000 2.392 294 E HA 0.480 4.825 4.350 -0.007 0.000 0.279 294 E C -1.674 175.128 176.600 0.336 0.000 0.964 294 E CA -0.772 55.770 56.400 0.237 0.000 0.777 294 E CB 1.557 31.349 29.700 0.154 0.000 1.249 294 E HN 0.095 nan 8.360 nan 0.000 0.449 295 I N 3.033 123.748 120.570 0.242 0.000 2.353 295 I HA 0.153 4.319 4.170 -0.007 0.000 0.293 295 I C 0.770 176.847 176.117 -0.067 0.000 0.992 295 I CA 0.061 61.323 61.300 -0.063 0.000 1.268 295 I CB 1.309 39.013 38.000 -0.493 0.000 1.387 295 I HN 0.668 nan 8.210 nan 0.000 0.478 296 E N 2.726 122.890 120.200 -0.061 0.000 2.447 296 E HA 0.157 4.502 4.350 -0.007 0.000 0.204 296 E C 0.184 176.835 176.600 0.086 0.000 0.977 296 E CA 0.188 56.623 56.400 0.058 0.000 0.950 296 E CB 1.032 30.766 29.700 0.057 0.000 0.975 296 E HN 0.536 nan 8.360 nan 0.000 0.496 297 S N -0.120 115.560 115.700 -0.034 0.000 2.597 297 S HA 0.434 4.899 4.470 -0.007 0.000 0.274 297 S C -2.299 172.292 174.600 -0.015 0.000 1.132 297 S CA -0.754 57.484 58.200 0.063 0.000 0.835 297 S CB 0.932 64.144 63.200 0.020 0.000 1.092 297 S HN 0.060 nan 8.310 nan 0.000 0.457 298 L N 3.997 125.277 121.223 0.096 0.000 2.325 298 L HA 0.589 4.925 4.340 -0.007 0.000 0.281 298 L C -0.798 176.042 176.870 -0.050 0.000 1.004 298 L CA -0.130 54.730 54.840 0.034 0.000 0.823 298 L CB 1.251 43.358 42.059 0.081 0.000 1.236 298 L HN 0.779 nan 8.230 nan 0.000 0.415 299 H N 6.386 125.411 119.070 -0.074 0.000 2.620 299 H HA 0.423 4.975 4.556 -0.008 0.000 0.313 299 H C -0.316 174.948 175.328 -0.107 0.000 1.075 299 H CA 0.025 56.029 56.048 -0.073 0.000 1.397 299 H CB 1.163 30.887 29.762 -0.064 0.000 1.446 299 H HN 0.694 nan 8.280 nan 0.000 0.493 300 I N 0.216 120.766 120.570 -0.034 0.000 2.846 300 I HA 0.383 4.548 4.170 -0.007 0.000 0.307 300 I C -0.513 175.665 176.117 0.102 0.000 1.053 300 I CA -0.928 60.334 61.300 -0.063 0.000 1.050 300 I CB 2.906 40.730 38.000 -0.293 0.000 1.239 300 I HN 0.532 nan 8.210 nan 0.000 0.439 301 H N 3.165 122.231 119.070 -0.007 0.000 2.860 301 H HA 0.224 4.776 4.556 -0.008 0.000 0.312 301 H C -1.417 173.957 175.328 0.077 0.000 0.995 301 H CA -0.700 55.365 56.048 0.030 0.000 1.311 301 H CB 1.366 31.142 29.762 0.023 0.000 1.478 301 H HN 0.800 nan 8.280 nan 0.000 0.508 302 D N 5.449 125.889 120.400 0.067 0.000 2.346 302 D HA -0.021 4.615 4.640 -0.007 0.000 0.260 302 D C 0.967 177.124 176.300 -0.239 0.000 1.252 302 D CA -0.046 53.960 54.000 0.010 0.000 0.895 302 D CB 0.806 41.731 40.800 0.209 0.000 1.097 302 D HN 0.653 nan 8.370 nan 0.000 0.489 303 L N 4.132 125.219 121.223 -0.225 0.000 2.395 303 L HA -0.081 4.255 4.340 -0.007 0.000 0.218 303 L C 1.791 178.610 176.870 -0.085 0.000 1.130 303 L CA 0.089 54.789 54.840 -0.233 0.000 0.826 303 L CB -0.114 41.900 42.059 -0.076 0.000 0.941 303 L HN 0.532 nan 8.230 nan 0.000 0.451 304 I N -0.540 120.015 120.570 -0.026 0.000 2.296 304 I HA -0.138 4.028 4.170 -0.007 0.000 0.242 304 I C 2.713 178.845 176.117 0.024 0.000 1.087 304 I CA 1.623 62.931 61.300 0.014 0.000 1.393 304 I CB -1.178 36.844 38.000 0.036 0.000 1.093 304 I HN 0.272 nan 8.210 nan 0.000 0.421 305 S N 0.351 116.078 115.700 0.045 0.000 2.446 305 S HA 0.118 4.583 4.470 -0.007 0.000 0.225 305 S C 1.844 176.481 174.600 0.061 0.000 1.016 305 S CA 0.832 59.073 58.200 0.068 0.000 0.943 305 S CB 0.085 63.357 63.200 0.120 0.000 0.786 305 S HN 0.600 nan 8.310 nan 0.000 0.508 306 G N 0.984 109.809 108.800 0.043 0.000 2.195 306 G HA2 -0.197 3.759 3.960 -0.007 0.000 0.246 306 G HA3 -0.197 3.759 3.960 -0.007 0.000 0.246 306 G C -0.338 174.678 174.900 0.193 0.000 0.984 306 G CA 0.172 45.346 45.100 0.123 0.000 0.633 306 G HN 0.554 nan 8.290 nan 0.000 0.525 307 D N 0.595 121.049 120.400 0.090 0.000 2.339 307 D HA 0.524 5.160 4.640 -0.007 0.000 0.245 307 D C 0.907 177.093 176.300 -0.191 0.000 1.115 307 D CA 0.097 54.033 54.000 -0.107 0.000 0.917 307 D CB 0.659 41.336 40.800 -0.205 0.000 1.192 307 D HN 0.369 nan 8.370 nan 0.000 0.428 308 R N 0.928 121.152 120.500 -0.461 0.000 2.664 308 R HA 0.617 4.953 4.340 -0.007 0.000 0.286 308 R C -0.722 175.111 176.300 -0.779 0.000 0.967 308 R CA -0.628 55.258 56.100 -0.356 0.000 0.933 308 R CB 1.216 31.425 30.300 -0.152 0.000 1.146 308 R HN 0.287 nan 8.270 nan 0.000 0.468 309 F N -0.229 119.697 119.950 -0.040 0.000 2.664 309 F HA 0.389 4.911 4.527 -0.008 0.000 0.317 309 F C -0.145 175.534 175.800 -0.202 0.000 1.108 309 F CA -0.942 56.997 58.000 -0.103 0.000 0.957 309 F CB 1.898 40.836 39.000 -0.103 0.000 1.365 309 F HN 0.274 nan 8.300 nan 0.000 0.475 310 E N 1.878 122.069 120.200 -0.016 0.000 2.222 310 E HA 0.557 4.903 4.350 -0.007 0.000 0.267 310 E C -1.400 175.168 176.600 -0.053 0.000 0.884 310 E CA -0.783 55.507 56.400 -0.184 0.000 0.764 310 E CB 2.755 32.266 29.700 -0.314 0.000 1.169 310 E HN 0.219 nan 8.360 nan 0.000 0.413 311 I N 2.553 123.100 120.570 -0.038 0.000 2.406 311 I HA 0.290 4.455 4.170 -0.007 0.000 0.290 311 I C -0.076 176.125 176.117 0.140 0.000 0.999 311 I CA -0.989 60.347 61.300 0.059 0.000 1.124 311 I CB 1.327 39.356 38.000 0.049 0.000 1.289 311 I HN 0.392 nan 8.210 nan 0.000 0.441 312 K N 5.034 125.517 120.400 0.138 0.000 2.156 312 K HA 0.814 5.130 4.320 -0.007 0.000 0.271 312 K C -0.951 175.705 176.600 0.093 0.000 0.995 312 K CA -0.239 56.142 56.287 0.156 0.000 0.890 312 K CB 1.527 34.087 32.500 0.099 0.000 1.073 312 K HN 0.798 nan 8.250 nan 0.000 0.454 313 A N 2.890 125.686 122.820 -0.040 0.000 2.566 313 A HA 0.396 4.711 4.320 -0.007 0.000 0.292 313 A C -0.460 176.993 177.584 -0.218 0.000 1.112 313 A CA -0.693 51.186 52.037 -0.263 0.000 0.707 313 A CB 1.081 19.694 19.000 -0.645 0.000 1.302 313 A HN 0.773 nan 8.150 nan 0.000 0.409 314 D N -0.425 119.897 120.400 -0.129 0.000 2.149 314 D HA 0.095 4.730 4.640 -0.007 0.000 0.201 314 D C 0.301 176.510 176.300 -0.151 0.000 0.972 314 D CA 1.712 55.702 54.000 -0.017 0.000 0.835 314 D CB 0.177 41.026 40.800 0.081 0.000 0.966 314 D HN 0.220 nan 8.370 nan 0.000 0.476 315 V N 0.610 120.293 119.914 -0.386 0.000 2.638 315 V HA 0.282 4.398 4.120 -0.007 0.000 0.306 315 V C -1.249 174.602 176.094 -0.405 0.000 1.052 315 V CA -0.888 61.191 62.300 -0.369 0.000 0.885 315 V CB 1.817 33.298 31.823 -0.570 0.000 0.999 315 V HN -0.052 nan 8.190 nan 0.000 0.424 316 Y N 2.918 123.200 120.300 -0.031 0.000 2.341 316 Y HA 0.712 5.258 4.550 -0.008 0.000 0.338 316 Y C -0.099 175.760 175.900 -0.068 0.000 0.965 316 Y CA -1.002 57.066 58.100 -0.053 0.000 1.108 316 Y CB 2.144 40.572 38.460 -0.053 0.000 1.180 316 Y HN 0.354 nan 8.280 nan 0.000 0.458 317 V N 5.484 125.364 119.914 -0.057 0.000 2.444 317 V HA 0.372 4.487 4.120 -0.007 0.000 0.294 317 V C -0.499 175.456 176.094 -0.232 0.000 1.022 317 V CA -0.897 61.252 62.300 -0.252 0.000 0.850 317 V CB 1.644 33.093 31.823 -0.623 0.000 0.992 317 V HN 0.609 nan 8.190 nan 0.000 0.426 318 L N 5.202 126.286 121.223 -0.232 0.000 2.276 318 L HA 0.546 4.881 4.340 -0.007 0.000 0.286 318 L C 0.377 177.135 176.870 -0.187 0.000 1.024 318 L CA -0.178 54.545 54.840 -0.195 0.000 0.826 318 L CB 1.496 43.419 42.059 -0.227 0.000 1.211 318 L HN 0.809 nan 8.230 nan 0.000 0.422 319 T N -1.621 112.857 114.554 -0.127 0.000 3.624 319 T HA 0.366 4.711 4.350 -0.007 0.000 0.244 319 T C 0.663 175.360 174.700 -0.005 0.000 1.063 319 T CA -0.150 61.917 62.100 -0.056 0.000 1.252 319 T CB 1.002 69.834 68.868 -0.060 0.000 1.021 319 T HN 0.528 nan 8.240 nan 0.000 0.590 320 A N 0.796 123.622 122.820 0.010 0.000 2.337 320 A HA 0.770 5.086 4.320 -0.007 0.000 0.227 320 A C 1.358 179.013 177.584 0.117 0.000 1.259 320 A CA 0.061 52.126 52.037 0.048 0.000 0.870 320 A CB -0.751 18.270 19.000 0.035 0.000 0.927 320 A HN 1.705 nan 8.150 nan 0.000 0.497 321 G N -2.593 106.276 108.800 0.114 0.000 2.663 321 G HA2 0.276 4.232 3.960 -0.007 0.000 0.686 321 G HA3 0.276 4.232 3.960 -0.007 0.000 0.686 321 G C 0.713 175.712 174.900 0.166 0.000 1.246 321 G CA -0.321 44.858 45.100 0.132 0.000 0.795 321 G HN 1.263 nan 8.290 nan 0.000 0.627 322 A N -0.227 122.677 122.820 0.140 0.000 1.972 322 A HA 0.216 4.532 4.320 -0.007 0.000 0.219 322 A C 2.632 180.301 177.584 0.142 0.000 1.169 322 A CA 3.151 55.266 52.037 0.130 0.000 0.635 322 A CB -0.331 18.716 19.000 0.078 0.000 0.810 322 A HN 1.586 nan 8.150 nan 0.000 0.446 323 V N -0.936 119.024 119.914 0.076 0.000 2.302 323 V HA -0.207 3.909 4.120 -0.007 0.000 0.243 323 V C 2.222 178.331 176.094 0.025 0.000 1.036 323 V CA 2.177 64.483 62.300 0.010 0.000 1.020 323 V CB -1.046 30.668 31.823 -0.182 0.000 0.657 323 V HN 0.735 nan 8.190 nan 0.000 0.453 324 H N -0.273 118.867 119.070 0.117 0.000 2.502 324 H HA -0.021 4.531 4.556 -0.008 0.000 0.283 324 H C 2.272 177.590 175.328 -0.018 0.000 1.015 324 H CA 0.858 56.929 56.048 0.039 0.000 1.298 324 H CB 0.096 29.864 29.762 0.010 0.000 1.411 324 H HN 0.325 nan 8.280 nan 0.000 0.556 325 N N -0.026 118.745 118.700 0.119 0.000 2.069 325 N HA -0.130 4.606 4.740 -0.007 0.000 0.191 325 N C 1.794 177.278 175.510 -0.043 0.000 1.031 325 N CA 1.869 54.916 53.050 -0.007 0.000 0.852 325 N CB -0.551 37.916 38.487 -0.034 0.000 1.018 325 N HN 0.318 nan 8.380 nan 0.000 0.423 326 T N 0.907 115.514 114.554 0.089 0.000 2.746 326 T HA -0.176 4.170 4.350 -0.007 0.000 0.267 326 T C 1.843 176.400 174.700 -0.239 0.000 1.039 326 T CA 1.145 63.292 62.100 0.079 0.000 1.142 326 T CB -0.237 68.826 68.868 0.324 0.000 0.866 326 T HN 0.358 nan 8.240 nan 0.000 0.444 327 Q N 0.153 119.702 119.800 -0.419 0.000 2.061 327 Q HA -0.137 4.199 4.340 -0.007 0.000 0.204 327 Q C 2.320 178.031 176.000 -0.481 0.000 0.984 327 Q CA 1.241 56.470 55.803 -0.956 0.000 0.846 327 Q CB -0.256 28.245 28.738 -0.395 0.000 0.902 327 Q HN 0.368 nan 8.270 nan 0.000 0.421 328 L N 0.639 121.716 121.223 -0.244 0.000 2.046 328 L HA -0.147 4.188 4.340 -0.007 0.000 0.208 328 L C 2.062 178.825 176.870 -0.180 0.000 1.077 328 L CA 1.554 56.287 54.840 -0.179 0.000 0.747 328 L CB -0.610 41.366 42.059 -0.139 0.000 0.896 328 L HN 0.304 nan 8.230 nan 0.000 0.432 329 L N -1.833 119.254 121.223 -0.226 0.000 2.017 329 L HA -0.210 4.125 4.340 -0.007 0.000 0.208 329 L C 2.428 179.309 176.870 0.018 0.000 1.073 329 L CA 1.093 55.802 54.840 -0.218 0.000 0.745 329 L CB -0.687 41.118 42.059 -0.423 0.000 0.894 329 L HN 0.086 nan 8.230 nan 0.000 0.432 330 V N -0.052 119.810 119.914 -0.087 0.000 2.407 330 V HA -0.274 3.841 4.120 -0.007 0.000 0.248 330 V C 2.102 178.176 176.094 -0.032 0.000 1.055 330 V CA 2.016 64.301 62.300 -0.026 0.000 1.049 330 V CB -0.728 31.045 31.823 -0.082 0.000 0.662 330 V HN 0.489 nan 8.190 nan 0.000 0.455 331 N N 0.051 118.684 118.700 -0.112 0.000 2.520 331 N HA -0.093 4.642 4.740 -0.007 0.000 0.185 331 N C 1.525 177.010 175.510 -0.041 0.000 1.068 331 N CA 1.081 54.084 53.050 -0.078 0.000 0.911 331 N CB -0.041 38.380 38.487 -0.109 0.000 0.961 331 N HN 0.409 nan 8.380 nan 0.000 0.446 332 S N -1.486 114.222 115.700 0.014 0.000 2.556 332 S HA 0.323 4.789 4.470 -0.007 0.000 0.216 332 S C 1.100 175.723 174.600 0.039 0.000 0.970 332 S CA 0.257 58.489 58.200 0.052 0.000 0.912 332 S CB 0.533 63.817 63.200 0.140 0.000 0.790 332 S HN 0.529 nan 8.310 nan 0.000 0.504 333 G N 1.049 109.871 108.800 0.037 0.000 2.159 333 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.227 333 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.227 333 G C -0.053 174.796 174.900 -0.085 0.000 0.986 333 G CA -0.598 44.474 45.100 -0.046 0.000 0.651 333 G HN 0.435 nan 8.290 nan 0.000 0.523 334 F N 0.875 120.814 119.950 -0.018 0.000 2.371 334 F HA 0.516 5.039 4.527 -0.007 0.000 0.329 334 F C 1.659 177.480 175.800 0.035 0.000 1.107 334 F CA 0.964 58.968 58.000 0.008 0.000 1.137 334 F CB 1.026 40.008 39.000 -0.029 0.000 1.214 334 F HN 0.727 nan 8.300 nan 0.000 0.536 335 G N 1.897 110.842 108.800 0.242 0.000 2.566 335 G HA2 -0.305 3.651 3.960 -0.007 0.000 0.280 335 G HA3 -0.305 3.651 3.960 -0.007 0.000 0.280 335 G C -0.738 174.239 174.900 0.129 0.000 1.225 335 G CA 0.106 45.316 45.100 0.184 0.000 0.966 335 G HN 0.828 nan 8.290 nan 0.000 0.560 336 Q N -0.998 118.883 119.800 0.136 0.000 2.274 336 Q HA 0.608 4.943 4.340 -0.007 0.000 0.268 336 Q C -0.972 175.112 176.000 0.141 0.000 1.015 336 Q CA -0.956 54.906 55.803 0.099 0.000 0.775 336 Q CB 1.645 30.419 28.738 0.059 0.000 1.256 336 Q HN 0.895 nan 8.270 nan 0.000 0.442 337 L N 3.847 125.144 121.223 0.122 0.000 2.371 337 L HA 0.770 5.105 4.340 -0.007 0.000 0.272 337 L C 0.372 177.323 176.870 0.134 0.000 1.124 337 L CA 1.860 56.797 54.840 0.162 0.000 0.816 337 L CB 0.980 43.108 42.059 0.116 0.000 1.129 337 L HN 0.849 nan 8.230 nan 0.000 0.448 338 G N 3.649 112.582 108.800 0.223 0.000 2.728 338 G HA2 -0.222 3.733 3.960 -0.007 0.000 0.294 338 G HA3 -0.222 3.733 3.960 -0.007 0.000 0.294 338 G C -0.516 174.276 174.900 -0.180 0.000 1.342 338 G CA -0.195 44.995 45.100 0.150 0.000 0.866 338 G HN 0.935 nan 8.290 nan 0.000 0.534 339 R N 0.804 120.991 120.500 -0.522 0.000 2.484 339 R HA 0.363 4.699 4.340 -0.007 0.000 0.293 339 R C -1.890 173.962 176.300 -0.747 0.000 1.023 339 R CA -0.584 54.782 56.100 -1.224 0.000 1.037 339 R CB -0.005 29.875 30.300 -0.699 0.000 0.951 339 R HN 0.348 nan 8.270 nan 0.000 0.418 340 P HA -0.024 nan 4.420 nan 0.000 0.266 340 P C -1.396 175.738 177.300 -0.277 0.000 1.195 340 P CA 0.247 63.091 63.100 -0.427 0.000 0.768 340 P CB 0.485 31.958 31.700 -0.380 0.000 0.838 341 N N 2.933 121.531 118.700 -0.169 0.000 2.549 341 N HA 0.166 4.902 4.740 -0.007 0.000 0.290 341 N C -2.583 172.881 175.510 -0.076 0.000 1.122 341 N CA -2.006 50.973 53.050 -0.118 0.000 0.885 341 N CB 1.543 39.967 38.487 -0.104 0.000 1.455 341 N HN 0.061 nan 8.380 nan 0.000 0.521 342 P HA -0.070 nan 4.420 nan 0.000 0.220 342 P C 0.953 178.235 177.300 -0.030 0.000 1.148 342 P CA 1.125 64.200 63.100 -0.041 0.000 0.803 342 P CB 0.099 31.776 31.700 -0.039 0.000 0.782 343 T N -0.768 113.767 114.554 -0.033 0.000 2.897 343 T HA -0.134 4.212 4.350 -0.007 0.000 0.271 343 T C 1.131 175.819 174.700 -0.020 0.000 1.084 343 T CA 1.445 63.531 62.100 -0.024 0.000 1.123 343 T CB -0.626 68.226 68.868 -0.026 0.000 0.865 343 T HN 0.134 nan 8.240 nan 0.000 0.496 344 N N 1.439 120.125 118.700 -0.024 0.000 2.765 344 N HA 0.244 4.980 4.740 -0.007 0.000 0.277 344 N C -3.056 172.445 175.510 -0.014 0.000 1.750 344 N CA -1.908 51.131 53.050 -0.018 0.000 0.827 344 N CB 0.994 39.468 38.487 -0.022 0.000 1.200 344 N HN 0.080 nan 8.380 nan 0.000 0.494 345 P HA 0.334 nan 4.420 nan 0.000 0.279 345 P C -2.643 174.667 177.300 0.016 0.000 1.239 345 P CA -1.176 61.926 63.100 0.003 0.000 0.789 345 P CB 0.209 31.914 31.700 0.009 0.000 0.933 346 P HA 0.114 nan 4.420 nan 0.000 0.268 346 P C 0.470 177.795 177.300 0.041 0.000 1.205 346 P CA 0.242 63.366 63.100 0.039 0.000 0.771 346 P CB 0.999 32.739 31.700 0.066 0.000 0.858 347 E N 0.537 120.755 120.200 0.029 0.000 2.230 347 E HA -0.017 4.328 4.350 -0.007 0.000 0.192 347 E C 0.326 176.952 176.600 0.043 0.000 0.987 347 E CA 0.234 56.650 56.400 0.027 0.000 0.841 347 E CB 0.063 29.768 29.700 0.009 0.000 0.783 347 E HN 0.206 nan 8.360 nan 0.000 0.481 348 L N 1.281 122.534 121.223 0.050 0.000 2.265 348 L HA 0.197 4.533 4.340 -0.007 0.000 0.289 348 L C -0.315 176.656 176.870 0.168 0.000 1.033 348 L CA -0.126 54.763 54.840 0.081 0.000 0.814 348 L CB 0.576 42.627 42.059 -0.014 0.000 1.203 348 L HN 0.076 nan 8.230 nan 0.000 0.423 349 L N 7.331 128.685 121.223 0.219 0.000 3.823 349 L HA -0.173 4.162 4.340 -0.007 0.000 0.525 349 L C -1.347 175.640 176.870 0.196 0.000 1.247 349 L CA -0.185 54.804 54.840 0.248 0.000 0.776 349 L CB -0.664 41.601 42.059 0.344 0.000 1.443 349 L HN 0.617 nan 8.230 nan 0.000 0.831 350 P HA -0.104 nan 4.420 nan 0.000 0.222 350 P C 1.230 178.631 177.300 0.169 0.000 1.147 350 P CA 1.003 64.184 63.100 0.135 0.000 0.790 350 P CB 0.302 32.062 31.700 0.101 0.000 0.780 351 S N -0.613 115.208 115.700 0.201 0.000 2.593 351 S HA 0.061 4.527 4.470 -0.007 0.000 0.217 351 S C 0.822 175.586 174.600 0.273 0.000 0.966 351 S CA -0.387 57.978 58.200 0.276 0.000 0.914 351 S CB -0.696 62.655 63.200 0.251 0.000 0.776 351 S HN 0.070 nan 8.310 nan 0.000 0.523 352 L N 2.317 123.680 121.223 0.233 0.000 2.513 352 L HA 0.421 4.756 4.340 -0.007 0.000 0.272 352 L C 1.151 178.164 176.870 0.239 0.000 1.187 352 L CA 1.132 56.111 54.840 0.232 0.000 0.895 352 L CB -0.323 41.863 42.059 0.211 0.000 1.147 352 L HN 0.327 nan 8.230 nan 0.000 0.483 353 G N 2.382 111.331 108.800 0.250 0.000 2.179 353 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.260 353 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.260 353 G C 0.408 175.433 174.900 0.209 0.000 0.977 353 G CA 0.317 45.562 45.100 0.242 0.000 0.641 353 G HN 0.828 nan 8.290 nan 0.000 0.533 354 S N -1.483 114.348 115.700 0.217 0.000 2.664 354 S HA 0.658 5.123 4.470 -0.007 0.000 0.304 354 S C 0.326 175.088 174.600 0.270 0.000 1.099 354 S CA 0.078 58.353 58.200 0.125 0.000 1.003 354 S CB 0.976 64.169 63.200 -0.012 0.000 1.092 354 S HN 0.935 nan 8.310 nan 0.000 0.525 355 Y N -0.940 119.431 120.300 0.119 0.000 4.272 355 Y HA -0.199 4.347 4.550 -0.007 0.000 0.232 355 Y C 0.491 176.476 175.900 0.142 0.000 1.149 355 Y CA 0.184 58.353 58.100 0.115 0.000 1.961 355 Y CB -2.187 36.337 38.460 0.106 0.000 1.611 355 Y HN 0.625 nan 8.280 nan 0.000 0.682 356 I N -0.030 120.695 120.570 0.257 0.000 2.696 356 I HA 0.476 4.642 4.170 -0.007 0.000 0.284 356 I C 0.667 176.955 176.117 0.284 0.000 1.129 356 I CA 0.431 61.883 61.300 0.254 0.000 1.410 356 I CB 1.284 39.434 38.000 0.250 0.000 1.399 356 I HN 0.209 nan 8.210 nan 0.000 0.579 357 T N 1.883 116.567 114.554 0.217 0.000 2.876 357 T HA 0.681 5.027 4.350 -0.007 0.000 0.289 357 T C -0.660 174.072 174.700 0.054 0.000 1.014 357 T CA -0.693 61.524 62.100 0.195 0.000 0.986 357 T CB 2.100 71.036 68.868 0.113 0.000 1.021 357 T HN 0.830 nan 8.240 nan 0.000 0.458 358 E N 1.135 121.345 120.200 0.016 0.000 2.340 358 E HA 0.351 4.696 4.350 -0.007 0.000 0.273 358 E C -1.105 175.619 176.600 0.207 0.000 0.891 358 E CA -0.587 55.787 56.400 -0.044 0.000 0.757 358 E CB 2.025 31.499 29.700 -0.377 0.000 1.231 358 E HN 0.703 nan 8.360 nan 0.000 0.439 359 Q N 1.248 121.175 119.800 0.211 0.000 2.314 359 Q HA 0.408 4.743 4.340 -0.007 0.000 0.258 359 Q C -0.428 175.767 176.000 0.324 0.000 0.954 359 Q CA -0.357 55.616 55.803 0.283 0.000 0.890 359 Q CB 1.227 30.161 28.738 0.328 0.000 1.210 359 Q HN 0.483 nan 8.270 nan 0.000 0.410 360 S N 1.760 117.575 115.700 0.191 0.000 2.562 360 S HA 0.266 4.731 4.470 -0.007 0.000 0.281 360 S C -0.577 174.068 174.600 0.075 0.000 1.333 360 S CA -0.415 57.767 58.200 -0.030 0.000 1.052 360 S CB 0.355 63.448 63.200 -0.180 0.000 0.884 360 S HN 0.378 nan 8.310 nan 0.000 0.506 361 L N 4.503 125.741 121.223 0.025 0.000 2.406 361 L HA 0.670 5.005 4.340 -0.007 0.000 0.272 361 L C -0.809 175.924 176.870 -0.227 0.000 0.980 361 L CA -0.658 54.105 54.840 -0.128 0.000 0.831 361 L CB 1.600 43.573 42.059 -0.144 0.000 1.253 361 L HN 0.478 nan 8.230 nan 0.000 0.406 362 V N 2.114 121.809 119.914 -0.364 0.000 2.667 362 V HA 0.740 4.856 4.120 -0.007 0.000 0.308 362 V C -0.909 175.052 176.094 -0.220 0.000 1.048 362 V CA -0.653 61.356 62.300 -0.486 0.000 0.928 362 V CB 1.588 32.941 31.823 -0.783 0.000 1.004 362 V HN 0.782 nan 8.190 nan 0.000 0.444 363 F N 4.884 124.630 119.950 -0.340 0.000 2.591 363 F HA 0.873 5.392 4.527 -0.013 0.000 0.309 363 F C -0.342 175.331 175.800 -0.212 0.000 1.098 363 F CA -0.269 57.611 58.000 -0.201 0.000 0.937 363 F CB 1.590 40.508 39.000 -0.137 0.000 1.250 363 F HN 1.190 nan 8.300 nan 0.000 0.447 364 C N 2.717 121.404 119.300 -1.023 0.000 3.320 364 C HA 0.792 5.248 4.460 -0.007 0.000 0.335 364 C C -1.631 172.808 174.990 -0.919 0.000 1.430 364 C CA -0.726 57.656 59.018 -1.060 0.000 1.271 364 C CB 1.672 29.037 27.740 -0.626 0.000 1.609 364 C HN 0.959 nan 8.230 nan 0.000 0.457 365 Q N 0.526 120.025 119.800 -0.502 0.000 2.399 365 Q HA 0.774 5.110 4.340 -0.007 0.000 0.276 365 Q C -0.479 175.551 176.000 0.049 0.000 1.098 365 Q CA -0.252 55.494 55.803 -0.096 0.000 0.827 365 Q CB 2.664 31.348 28.738 -0.090 0.000 1.386 365 Q HN 0.937 nan 8.270 nan 0.000 0.443 366 T N -2.633 112.028 114.554 0.177 0.000 2.924 366 T HA 0.695 5.041 4.350 -0.007 0.000 0.291 366 T C -0.549 174.206 174.700 0.092 0.000 1.045 366 T CA -0.730 61.438 62.100 0.114 0.000 1.015 366 T CB 1.237 70.184 68.868 0.132 0.000 1.103 366 T HN 0.261 nan 8.240 nan 0.000 0.496 367 V N 2.570 122.506 119.914 0.036 0.000 2.384 367 V HA 0.400 4.516 4.120 -0.007 0.000 0.287 367 V C 0.295 176.403 176.094 0.023 0.000 1.020 367 V CA -0.908 61.408 62.300 0.028 0.000 0.850 367 V CB 1.125 32.953 31.823 0.008 0.000 0.987 367 V HN 1.016 nan 8.190 nan 0.000 0.436 368 M N 4.815 124.440 119.600 0.041 0.000 2.248 368 M HA 0.086 4.562 4.480 -0.007 0.000 0.343 368 M C 0.885 177.195 176.300 0.017 0.000 1.243 368 M CA 0.731 56.056 55.300 0.042 0.000 1.025 368 M CB 0.606 33.234 32.600 0.046 0.000 1.759 368 M HN 0.931 nan 8.290 nan 0.000 0.452 369 S N 2.487 118.193 115.700 0.011 0.000 2.573 369 S HA 0.085 4.551 4.470 -0.007 0.000 0.277 369 S C 1.005 175.608 174.600 0.005 0.000 1.346 369 S CA -0.131 58.065 58.200 -0.007 0.000 1.034 369 S CB 0.571 63.761 63.200 -0.017 0.000 0.879 369 S HN 0.800 nan 8.310 nan 0.000 0.528 370 T N 1.488 116.041 114.554 -0.002 0.000 2.720 370 T HA -0.158 4.187 4.350 -0.007 0.000 0.268 370 T C 1.616 176.324 174.700 0.013 0.000 1.037 370 T CA 1.888 63.991 62.100 0.006 0.000 1.144 370 T CB -0.538 68.330 68.868 0.000 0.000 0.864 370 T HN 0.851 nan 8.240 nan 0.000 0.444 371 E N 0.414 120.617 120.200 0.006 0.000 2.085 371 E HA -0.091 4.254 4.350 -0.007 0.000 0.194 371 E C 2.114 178.730 176.600 0.027 0.000 0.994 371 E CA 0.863 57.269 56.400 0.010 0.000 0.801 371 E CB -0.184 29.513 29.700 -0.004 0.000 0.743 371 E HN 0.430 nan 8.360 nan 0.000 0.453 372 L N 0.507 121.749 121.223 0.031 0.000 2.056 372 L HA -0.173 4.162 4.340 -0.007 0.000 0.207 372 L C 2.357 179.269 176.870 0.070 0.000 1.078 372 L CA 0.370 55.243 54.840 0.056 0.000 0.749 372 L CB -0.282 41.811 42.059 0.057 0.000 0.901 372 L HN 0.278 nan 8.230 nan 0.000 0.433 373 I N 0.011 120.611 120.570 0.050 0.000 2.226 373 I HA -0.279 3.886 4.170 -0.007 0.000 0.245 373 I C 2.133 178.284 176.117 0.057 0.000 1.100 373 I CA 1.514 62.842 61.300 0.046 0.000 1.374 373 I CB -1.105 36.913 38.000 0.030 0.000 1.057 373 I HN 0.280 nan 8.210 nan 0.000 0.413 374 D N 0.647 121.078 120.400 0.052 0.000 2.178 374 D HA -0.133 4.502 4.640 -0.007 0.000 0.201 374 D C 2.372 178.720 176.300 0.081 0.000 0.980 374 D CA 1.607 55.641 54.000 0.057 0.000 0.842 374 D CB -0.105 40.719 40.800 0.041 0.000 0.948 374 D HN 0.377 nan 8.370 nan 0.000 0.472 375 S N 0.067 115.823 115.700 0.093 0.000 2.399 375 S HA -0.128 4.338 4.470 -0.007 0.000 0.231 375 S C 2.185 176.925 174.600 0.232 0.000 1.022 375 S CA 0.863 59.145 58.200 0.136 0.000 0.983 375 S CB -0.597 62.672 63.200 0.115 0.000 0.803 375 S HN 0.090 nan 8.310 nan 0.000 0.480 376 V N 3.052 123.089 119.914 0.205 0.000 2.392 376 V HA -0.164 3.951 4.120 -0.007 0.000 0.249 376 V C 2.157 178.342 176.094 0.151 0.000 1.059 376 V CA 2.143 64.585 62.300 0.237 0.000 1.051 376 V CB -0.833 31.047 31.823 0.095 0.000 0.658 376 V HN 0.810 nan 8.190 nan 0.000 0.455 377 K N 0.297 120.765 120.400 0.113 0.000 2.498 377 K HA 0.192 4.507 4.320 -0.007 0.000 0.207 377 K C 1.538 178.198 176.600 0.101 0.000 1.033 377 K CA 0.667 57.005 56.287 0.085 0.000 1.138 377 K CB 0.207 32.746 32.500 0.066 0.000 0.860 377 K HN 0.427 nan 8.250 nan 0.000 0.490 378 S N 0.763 116.554 115.700 0.152 0.000 2.423 378 S HA -0.139 4.327 4.470 -0.007 0.000 0.231 378 S C 1.022 175.669 174.600 0.078 0.000 1.014 378 S CA 1.048 59.311 58.200 0.106 0.000 0.965 378 S CB -0.203 63.053 63.200 0.094 0.000 0.785 378 S HN 0.284 nan 8.310 nan 0.000 0.495 379 D N 0.892 121.357 120.400 0.107 0.000 2.340 379 D HA 0.180 4.816 4.640 -0.007 0.000 0.220 379 D C 0.220 176.579 176.300 0.097 0.000 1.039 379 D CA 0.357 54.406 54.000 0.082 0.000 0.866 379 D CB -0.047 40.804 40.800 0.085 0.000 0.913 379 D HN 0.380 nan 8.370 nan 0.000 0.523 380 M N 0.542 120.193 119.600 0.085 0.000 2.249 380 M HA 0.183 4.658 4.480 -0.007 0.000 0.351 380 M C 0.277 176.609 176.300 0.053 0.000 1.180 380 M CA 0.015 55.366 55.300 0.085 0.000 1.127 380 M CB 1.015 33.654 32.600 0.065 0.000 1.546 380 M HN -0.344 nan 8.290 nan 0.000 0.461 381 T N 4.671 119.248 114.554 0.039 0.000 2.733 381 T HA 0.629 4.974 4.350 -0.007 0.000 0.294 381 T C 0.143 174.824 174.700 -0.031 0.000 0.956 381 T CA -0.283 61.820 62.100 0.006 0.000 0.987 381 T CB 0.153 69.019 68.868 -0.002 0.000 0.920 381 T HN 0.418 nan 8.240 nan 0.000 0.470 382 I N 4.174 124.725 120.570 -0.032 0.000 2.389 382 I HA 0.494 4.660 4.170 -0.007 0.000 0.288 382 I C 0.285 176.370 176.117 -0.053 0.000 0.999 382 I CA -0.757 60.497 61.300 -0.077 0.000 1.129 382 I CB 1.397 39.396 38.000 -0.001 0.000 1.288 382 I HN 0.316 nan 8.210 nan 0.000 0.444 383 R N 3.967 124.399 120.500 -0.114 0.000 2.686 383 R HA 0.766 5.102 4.340 -0.007 0.000 0.283 383 R C -0.020 176.302 176.300 0.035 0.000 0.978 383 R CA -0.654 55.427 56.100 -0.031 0.000 0.897 383 R CB 2.226 32.501 30.300 -0.041 0.000 1.192 383 R HN 0.873 nan 8.270 nan 0.000 0.457 384 G N 0.908 109.775 108.800 0.112 0.000 2.681 384 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.220 384 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.220 384 G C -0.882 174.198 174.900 0.299 0.000 1.353 384 G CA -0.694 44.520 45.100 0.189 0.000 0.872 384 G HN 0.509 nan 8.290 nan 0.000 0.557 385 T N 3.076 117.756 114.554 0.211 0.000 2.797 385 T HA 0.632 4.978 4.350 -0.007 0.000 0.279 385 T C -2.468 172.069 174.700 -0.270 0.000 0.991 385 T CA -0.689 61.428 62.100 0.028 0.000 0.979 385 T CB 2.001 70.867 68.868 -0.004 0.000 0.943 385 T HN 0.517 nan 8.240 nan 0.000 0.444 386 P HA 0.189 nan 4.420 nan 0.000 0.264 386 P C 1.088 178.133 177.300 -0.425 0.000 1.183 386 P CA 1.042 63.540 63.100 -1.003 0.000 0.763 386 P CB 0.254 31.556 31.700 -0.663 0.000 0.807 387 G N 1.515 110.121 108.800 -0.323 0.000 2.217 387 G HA2 -0.217 3.738 3.960 -0.007 0.000 0.246 387 G HA3 -0.217 3.738 3.960 -0.007 0.000 0.246 387 G C 0.052 174.915 174.900 -0.062 0.000 0.990 387 G CA -0.240 44.781 45.100 -0.132 0.000 0.627 387 G HN 0.552 nan 8.290 nan 0.000 0.522 388 E N -0.335 119.837 120.200 -0.047 0.000 2.250 388 E HA 0.604 4.950 4.350 -0.007 0.000 0.269 388 E C 1.439 178.073 176.600 0.057 0.000 1.018 388 E CA -0.733 55.673 56.400 0.011 0.000 0.873 388 E CB 1.131 30.841 29.700 0.018 0.000 1.134 388 E HN 0.105 nan 8.360 nan 0.000 0.403 389 L N 0.616 121.866 121.223 0.045 0.000 2.079 389 L HA -0.196 4.139 4.340 -0.007 0.000 0.210 389 L C 2.226 179.134 176.870 0.064 0.000 1.081 389 L CA 1.737 56.604 54.840 0.046 0.000 0.752 389 L CB -0.591 41.486 42.059 0.029 0.000 0.896 389 L HN 0.658 nan 8.230 nan 0.000 0.433 390 T N -5.077 109.524 114.554 0.077 0.000 3.069 390 T HA -0.005 4.340 4.350 -0.007 0.000 0.252 390 T C 0.359 175.122 174.700 0.105 0.000 1.053 390 T CA -0.384 61.758 62.100 0.070 0.000 0.964 390 T CB -0.351 68.548 68.868 0.052 0.000 1.005 390 T HN 0.086 nan 8.240 nan 0.000 0.532 391 Y N 3.825 124.126 120.300 0.002 0.000 2.511 391 Y HA 0.413 4.959 4.550 -0.007 0.000 0.332 391 Y C 0.267 176.169 175.900 0.003 0.000 1.177 391 Y CA -0.341 57.761 58.100 0.003 0.000 1.422 391 Y CB 0.425 38.886 38.460 0.002 0.000 1.271 391 Y HN 0.391 nan 8.280 nan 0.000 0.550 392 S N 4.244 119.608 115.700 -0.559 0.000 2.556 392 S HA 0.795 5.261 4.470 -0.007 0.000 0.271 392 S C -1.957 172.295 174.600 -0.581 0.000 1.135 392 S CA -0.971 56.939 58.200 -0.484 0.000 0.858 392 S CB 1.480 64.561 63.200 -0.199 0.000 1.114 392 S HN 0.513 nan 8.310 nan 0.000 0.468 393 V N 2.372 122.066 119.914 -0.366 0.000 2.482 393 V HA 0.783 4.899 4.120 -0.007 0.000 0.295 393 V C -0.122 175.937 176.094 -0.058 0.000 1.026 393 V CA -0.119 62.061 62.300 -0.200 0.000 0.856 393 V CB 1.263 33.005 31.823 -0.136 0.000 1.001 393 V HN 1.236 nan 8.190 nan 0.000 0.424 394 T N 1.759 116.306 114.554 -0.012 0.000 2.906 394 T HA 0.884 5.230 4.350 -0.007 0.000 0.295 394 T C -0.969 173.812 174.700 0.134 0.000 1.075 394 T CA -0.783 61.336 62.100 0.031 0.000 1.005 394 T CB 2.334 71.179 68.868 -0.038 0.000 1.136 394 T HN 0.823 nan 8.240 nan 0.000 0.498 395 Y N -1.730 118.563 120.300 -0.011 0.000 2.615 395 Y HA 0.757 5.302 4.550 -0.007 0.000 0.341 395 Y C -0.897 175.002 175.900 -0.002 0.000 1.089 395 Y CA -1.231 56.869 58.100 -0.001 0.000 1.049 395 Y CB 1.188 39.656 38.460 0.014 0.000 1.296 395 Y HN 0.607 nan 8.280 nan 0.000 0.470 396 T N 4.420 118.969 114.554 -0.009 0.000 2.781 396 T HA 0.347 4.693 4.350 -0.007 0.000 0.305 396 T C -2.784 171.903 174.700 -0.022 0.000 1.001 396 T CA -1.384 60.657 62.100 -0.100 0.000 0.950 396 T CB 0.491 69.347 68.868 -0.019 0.000 0.955 396 T HN 0.343 nan 8.240 nan 0.000 0.471 397 P HA 0.197 nan 4.420 nan 0.000 0.263 397 P C 1.083 178.424 177.300 0.069 0.000 1.195 397 P CA 0.751 63.879 63.100 0.046 0.000 0.762 397 P CB 0.294 31.969 31.700 -0.041 0.000 0.799 398 G N 2.147 111.016 108.800 0.115 0.000 2.159 398 G HA2 -0.194 3.761 3.960 -0.007 0.000 0.256 398 G HA3 -0.194 3.761 3.960 -0.007 0.000 0.256 398 G C 0.446 175.370 174.900 0.039 0.000 0.977 398 G CA -0.014 45.125 45.100 0.065 0.000 0.652 398 G HN 0.855 nan 8.290 nan 0.000 0.531 399 A N 0.503 123.349 122.820 0.043 0.000 2.462 399 A HA 0.657 4.973 4.320 -0.007 0.000 0.243 399 A C 1.755 179.341 177.584 0.004 0.000 1.076 399 A CA 1.192 53.242 52.037 0.021 0.000 0.773 399 A CB 0.338 19.354 19.000 0.026 0.000 1.010 399 A HN 1.617 nan 8.150 nan 0.000 0.493 400 S N 1.257 116.953 115.700 -0.007 0.000 2.423 400 S HA -0.164 4.301 4.470 -0.007 0.000 0.231 400 S C 1.560 176.139 174.600 -0.035 0.000 1.014 400 S CA 1.571 59.760 58.200 -0.020 0.000 0.965 400 S CB -0.992 62.198 63.200 -0.017 0.000 0.785 400 S HN 1.120 nan 8.310 nan 0.000 0.495 401 T N -0.187 114.349 114.554 -0.030 0.000 3.072 401 T HA 0.075 4.421 4.350 -0.007 0.000 0.266 401 T C 0.560 175.223 174.700 -0.062 0.000 1.127 401 T CA 0.049 62.124 62.100 -0.042 0.000 1.107 401 T CB -0.702 68.150 68.868 -0.027 0.000 0.910 401 T HN 0.220 nan 8.240 nan 0.000 0.513 402 N N 2.033 120.699 118.700 -0.056 0.000 2.492 402 N HA 0.191 4.926 4.740 -0.007 0.000 0.262 402 N C 0.774 176.167 175.510 -0.195 0.000 1.202 402 N CA 0.013 53.011 53.050 -0.086 0.000 0.926 402 N CB 1.010 39.473 38.487 -0.040 0.000 1.078 402 N HN 0.417 nan 8.380 nan 0.000 0.454 403 K N 1.037 121.234 120.400 -0.338 0.000 2.361 403 K HA 0.038 4.354 4.320 -0.007 0.000 0.196 403 K C -0.315 175.778 176.600 -0.845 0.000 1.039 403 K CA 0.612 56.543 56.287 -0.594 0.000 1.001 403 K CB 0.099 32.162 32.500 -0.729 0.000 0.795 403 K HN 0.609 nan 8.250 nan 0.000 0.495 404 H N -0.351 118.440 119.070 -0.465 0.000 2.797 404 H HA 0.271 4.823 4.556 -0.007 0.000 0.372 404 H C -2.486 172.572 175.328 -0.450 0.000 1.168 404 H CA -2.375 53.257 56.048 -0.694 0.000 1.163 404 H CB 1.231 30.239 29.762 -1.258 0.000 1.778 404 H HN -0.130 nan 8.280 nan 0.000 0.551 405 P HA 0.007 nan 4.420 nan 0.000 0.274 405 P C -0.100 177.064 177.300 -0.227 0.000 1.256 405 P CA -0.300 62.674 63.100 -0.210 0.000 0.795 405 P CB 1.371 32.965 31.700 -0.177 0.000 1.038 406 D N -0.108 120.273 120.400 -0.032 0.000 2.144 406 D HA -0.134 4.502 4.640 -0.007 0.000 0.199 406 D C 1.943 178.271 176.300 0.048 0.000 0.984 406 D CA 1.264 55.297 54.000 0.055 0.000 0.834 406 D CB -0.598 40.331 40.800 0.214 0.000 0.955 406 D HN 0.609 nan 8.370 nan 0.000 0.465 407 W N 0.416 121.784 121.300 0.113 0.000 2.338 407 W HA -0.185 4.470 4.660 -0.008 0.000 0.304 407 W C 1.970 178.553 176.519 0.107 0.000 1.212 407 W CA 0.346 57.752 57.345 0.101 0.000 1.264 407 W CB -1.352 28.166 29.460 0.096 0.000 1.142 407 W HN 0.071 nan 8.180 nan 0.000 0.512 408 W N 3.302 124.088 121.300 -0.857 0.000 2.378 408 W HA -0.176 4.480 4.660 -0.007 0.000 0.313 408 W C 1.923 178.131 176.519 -0.518 0.000 1.197 408 W CA 1.831 58.655 57.345 -0.869 0.000 1.304 408 W CB -0.968 27.784 29.460 -1.181 0.000 1.148 408 W HN -0.086 nan 8.180 nan 0.000 0.494 409 N N 0.767 119.350 118.700 -0.195 0.000 2.244 409 N HA -0.166 4.570 4.740 -0.007 0.000 0.183 409 N C 1.504 176.707 175.510 -0.513 0.000 1.016 409 N CA 1.358 54.095 53.050 -0.522 0.000 0.866 409 N CB -0.604 37.173 38.487 -1.183 0.000 0.980 409 N HN 0.159 nan 8.380 nan 0.000 0.430 410 E N 1.339 121.390 120.200 -0.248 0.000 2.051 410 E HA -0.100 4.246 4.350 -0.007 0.000 0.192 410 E C 1.756 178.384 176.600 0.046 0.000 0.991 410 E CA 0.841 57.281 56.400 0.066 0.000 0.799 410 E CB -0.000 29.805 29.700 0.175 0.000 0.748 410 E HN 0.219 nan 8.360 nan 0.000 0.449 411 K N 0.363 120.770 120.400 0.013 0.000 2.063 411 K HA -0.084 4.232 4.320 -0.007 0.000 0.208 411 K C 2.269 178.844 176.600 -0.042 0.000 1.048 411 K CA 0.739 57.024 56.287 -0.003 0.000 0.928 411 K CB -0.615 31.869 32.500 -0.027 0.000 0.713 411 K HN 0.053 nan 8.250 nan 0.000 0.442 412 V N 1.773 121.613 119.914 -0.124 0.000 2.307 412 V HA -0.222 3.893 4.120 -0.007 0.000 0.245 412 V C 2.599 178.706 176.094 0.022 0.000 1.045 412 V CA 1.728 63.971 62.300 -0.095 0.000 1.024 412 V CB -0.414 31.320 31.823 -0.148 0.000 0.651 412 V HN 0.376 nan 8.190 nan 0.000 0.449 413 K N 0.299 120.714 120.400 0.025 0.000 2.009 413 K HA -0.250 4.066 4.320 -0.007 0.000 0.210 413 K C 2.041 178.692 176.600 0.085 0.000 1.049 413 K CA 2.077 58.417 56.287 0.089 0.000 0.929 413 K CB -0.247 32.365 32.500 0.186 0.000 0.714 413 K HN 0.427 nan 8.250 nan 0.000 0.440 414 N N 0.204 118.958 118.700 0.090 0.000 2.120 414 N HA -0.186 4.550 4.740 -0.007 0.000 0.188 414 N C 1.798 177.355 175.510 0.078 0.000 1.024 414 N CA 1.413 54.510 53.050 0.078 0.000 0.852 414 N CB -0.571 37.969 38.487 0.088 0.000 1.003 414 N HN 0.435 nan 8.380 nan 0.000 0.424 415 H N 0.756 119.839 119.070 0.021 0.000 2.321 415 H HA 0.095 4.646 4.556 -0.008 0.000 0.300 415 H C 2.122 177.479 175.328 0.049 0.000 1.087 415 H CA 1.713 57.781 56.048 0.032 0.000 1.319 415 H CB -0.082 29.617 29.762 -0.104 0.000 1.379 415 H HN 0.084 nan 8.280 nan 0.000 0.501 416 M N -0.807 118.807 119.600 0.024 0.000 2.159 416 M HA -0.153 4.322 4.480 -0.007 0.000 0.263 416 M C 1.781 178.123 176.300 0.071 0.000 1.063 416 M CA 1.209 56.535 55.300 0.043 0.000 1.110 416 M CB 0.030 32.709 32.600 0.133 0.000 1.374 416 M HN 0.365 nan 8.290 nan 0.000 0.411 417 M N -0.506 119.121 119.600 0.045 0.000 2.287 417 M HA -0.073 4.402 4.480 -0.007 0.000 0.266 417 M C 1.883 178.160 176.300 -0.038 0.000 1.079 417 M CA 1.522 56.857 55.300 0.057 0.000 1.146 417 M CB -0.874 31.745 32.600 0.032 0.000 1.374 417 M HN 0.324 nan 8.290 nan 0.000 0.435 418 Q N -0.756 118.953 119.800 -0.152 0.000 2.331 418 Q HA -0.047 4.289 4.340 -0.007 0.000 0.203 418 Q C 0.054 175.672 176.000 -0.637 0.000 0.944 418 Q CA 0.729 56.319 55.803 -0.356 0.000 0.892 418 Q CB 0.335 28.835 28.738 -0.396 0.000 0.983 418 Q HN 0.553 nan 8.270 nan 0.000 0.482 419 H N 0.303 119.283 119.070 -0.149 0.000 2.336 419 H HA 0.206 4.758 4.556 -0.007 0.000 0.230 419 H C 0.149 175.391 175.328 -0.143 0.000 1.426 419 H CA -0.090 55.869 56.048 -0.148 0.000 1.359 419 H CB 0.499 30.099 29.762 -0.271 0.000 1.555 419 H HN 0.248 nan 8.280 nan 0.000 0.512 420 Q N 0.629 120.412 119.800 -0.028 0.000 2.436 420 Q HA -0.100 4.236 4.340 -0.007 0.000 0.209 420 Q C 1.854 177.818 176.000 -0.060 0.000 0.965 420 Q CA 0.689 56.448 55.803 -0.074 0.000 0.910 420 Q CB 0.441 29.104 28.738 -0.125 0.000 0.980 420 Q HN 0.524 nan 8.270 nan 0.000 0.491 421 E N 1.067 121.276 120.200 0.015 0.000 2.358 421 E HA -0.119 4.227 4.350 -0.007 0.000 0.195 421 E C -0.317 176.324 176.600 0.068 0.000 1.010 421 E CA 0.615 57.036 56.400 0.036 0.000 0.856 421 E CB 0.035 29.775 29.700 0.066 0.000 0.795 421 E HN 0.160 nan 8.360 nan 0.000 0.504 422 D N 1.794 122.251 120.400 0.095 0.000 2.232 422 D HA 0.148 4.783 4.640 -0.007 0.000 0.242 422 D C -1.702 174.653 176.300 0.091 0.000 1.093 422 D CA -2.239 51.846 54.000 0.142 0.000 0.845 422 D CB 1.710 42.639 40.800 0.214 0.000 1.124 422 D HN -0.170 nan 8.370 nan 0.000 0.467 423 P HA 0.123 nan 4.420 nan 0.000 0.255 423 P C -0.298 177.049 177.300 0.078 0.000 1.248 423 P CA 0.109 63.249 63.100 0.066 0.000 0.807 423 P CB 0.377 32.107 31.700 0.050 0.000 1.150 424 L N 1.744 123.028 121.223 0.103 0.000 2.331 424 L HA 0.400 4.735 4.340 -0.007 0.000 0.275 424 L C -1.446 175.466 176.870 0.070 0.000 1.022 424 L CA -2.276 52.600 54.840 0.059 0.000 0.812 424 L CB 2.470 44.538 42.059 0.015 0.000 1.257 424 L HN -0.308 nan 8.230 nan 0.000 0.435 425 P HA 0.123 nan 4.420 nan 0.000 0.261 425 P C 0.155 177.313 177.300 -0.237 0.000 1.268 425 P CA 0.432 63.526 63.100 -0.010 0.000 0.833 425 P CB 0.459 32.154 31.700 -0.007 0.000 1.231 426 I N 2.489 122.837 120.570 -0.369 0.000 2.371 426 I HA 0.232 4.398 4.170 -0.007 0.000 0.290 426 I C -2.130 173.492 176.117 -0.825 0.000 1.028 426 I CA -2.831 58.190 61.300 -0.465 0.000 1.345 426 I CB 0.809 38.641 38.000 -0.281 0.000 1.407 426 I HN -0.241 nan 8.210 nan 0.000 0.501 427 P HA -0.017 nan 4.420 nan 0.000 0.265 427 P C 0.323 177.374 177.300 -0.415 0.000 1.187 427 P CA 0.064 62.774 63.100 -0.651 0.000 0.766 427 P CB 0.318 31.869 31.700 -0.248 0.000 0.820 428 F N 0.859 120.704 119.950 -0.175 0.000 2.161 428 F HA -0.154 4.368 4.527 -0.008 0.000 0.300 428 F C 1.758 177.529 175.800 -0.049 0.000 1.089 428 F CA 1.623 59.570 58.000 -0.088 0.000 1.282 428 F CB -1.044 37.922 39.000 -0.057 0.000 1.010 428 F HN 0.408 nan 8.300 nan 0.000 0.485 429 E N -0.220 120.069 120.200 0.148 0.000 2.403 429 E HA -0.010 4.336 4.350 -0.007 0.000 0.188 429 E C -0.179 176.449 176.600 0.045 0.000 1.056 429 E CA -0.191 56.265 56.400 0.094 0.000 0.892 429 E CB -0.335 29.417 29.700 0.085 0.000 1.049 429 E HN 0.226 nan 8.360 nan 0.000 0.465 430 D N 2.633 123.039 120.400 0.011 0.000 2.487 430 D HA 0.009 4.645 4.640 -0.007 0.000 0.243 430 D C -2.256 174.074 176.300 0.050 0.000 1.154 430 D CA -1.372 52.625 54.000 -0.006 0.000 0.876 430 D CB 0.757 41.517 40.800 -0.066 0.000 1.161 430 D HN -0.124 nan 8.370 nan 0.000 0.478 431 P HA 0.071 nan 4.420 nan 0.000 0.271 431 P C -0.446 176.993 177.300 0.232 0.000 1.233 431 P CA -0.346 62.855 63.100 0.168 0.000 0.789 431 P CB 0.362 32.145 31.700 0.139 0.000 0.951 432 E N 1.974 122.347 120.200 0.288 0.000 2.374 432 E HA 0.211 4.557 4.350 -0.007 0.000 0.260 432 E C -2.427 174.255 176.600 0.137 0.000 1.101 432 E CA -2.052 54.449 56.400 0.167 0.000 0.907 432 E CB -0.703 29.060 29.700 0.106 0.000 1.014 432 E HN 0.250 nan 8.360 nan 0.000 0.427 433 P HA 0.048 nan 4.420 nan 0.000 0.271 433 P C -0.512 176.818 177.300 0.051 0.000 1.218 433 P CA -0.004 63.194 63.100 0.163 0.000 0.780 433 P CB 0.495 32.234 31.700 0.066 0.000 0.901 434 Q N 1.202 121.129 119.800 0.213 0.000 3.662 434 Q HA 0.311 4.647 4.340 -0.007 0.000 0.237 434 Q C -1.005 175.093 176.000 0.164 0.000 0.895 434 Q CA -0.343 55.451 55.803 -0.015 0.000 0.767 434 Q CB 1.271 29.735 28.738 -0.456 0.000 1.469 434 Q HN 0.203 nan 8.270 nan 0.000 0.424 435 V N 0.545 120.506 119.914 0.078 0.000 2.581 435 V HA 0.750 4.866 4.120 -0.007 0.000 0.303 435 V C 0.114 176.219 176.094 0.018 0.000 1.041 435 V CA -0.477 61.861 62.300 0.063 0.000 0.907 435 V CB 2.098 33.901 31.823 -0.032 0.000 0.994 435 V HN 0.441 nan 8.190 nan 0.000 0.442 436 T N 1.717 116.308 114.554 0.060 0.000 2.916 436 T HA 0.473 4.819 4.350 -0.007 0.000 0.305 436 T C -0.902 173.734 174.700 -0.106 0.000 1.119 436 T CA -0.301 61.780 62.100 -0.031 0.000 1.008 436 T CB 1.852 70.698 68.868 -0.037 0.000 1.129 436 T HN 0.818 nan 8.240 nan 0.000 0.480 437 T N 4.727 119.082 114.554 -0.331 0.000 2.758 437 T HA 0.607 4.952 4.350 -0.007 0.000 0.285 437 T C -0.025 174.545 174.700 -0.215 0.000 0.981 437 T CA -0.601 61.170 62.100 -0.549 0.000 0.965 437 T CB -0.108 68.041 68.868 -1.198 0.000 0.927 437 T HN 0.504 nan 8.240 nan 0.000 0.448 438 L N 4.605 125.770 121.223 -0.097 0.000 2.452 438 L HA 0.394 4.730 4.340 -0.007 0.000 0.267 438 L C 0.796 177.657 176.870 -0.015 0.000 1.188 438 L CA -0.895 53.963 54.840 0.031 0.000 0.821 438 L CB 0.320 42.386 42.059 0.012 0.000 1.102 438 L HN 0.672 nan 8.230 nan 0.000 0.470 439 F N 2.653 122.518 119.950 -0.141 0.000 2.604 439 F HA -0.109 4.413 4.527 -0.008 0.000 0.390 439 F C 0.325 175.841 175.800 -0.472 0.000 1.053 439 F CA 0.536 58.356 58.000 -0.299 0.000 1.256 439 F CB 0.225 39.107 39.000 -0.196 0.000 0.996 439 F HN 0.432 nan 8.300 nan 0.000 0.564 440 Q N 6.390 125.637 119.800 -0.921 0.000 2.501 440 Q HA 0.253 4.588 4.340 -0.007 0.000 0.288 440 Q C -1.978 173.560 176.000 -0.770 0.000 1.051 440 Q CA -1.789 53.587 55.803 -0.711 0.000 0.788 440 Q CB 1.384 29.590 28.738 -0.887 0.000 1.469 440 Q HN 0.269 nan 8.270 nan 0.000 0.416 441 P HA -0.207 nan 4.420 nan 0.000 0.217 441 P C 1.174 178.262 177.300 -0.353 0.000 1.151 441 P CA 2.163 65.091 63.100 -0.288 0.000 0.849 441 P CB 0.232 31.855 31.700 -0.129 0.000 0.787 442 S N -1.595 113.904 115.700 -0.335 0.000 2.461 442 S HA -0.120 4.346 4.470 -0.007 0.000 0.228 442 S C 0.682 175.102 174.600 -0.301 0.000 1.005 442 S CA 0.437 58.516 58.200 -0.202 0.000 0.942 442 S CB -1.263 61.916 63.200 -0.035 0.000 0.776 442 S HN 0.450 nan 8.310 nan 0.000 0.514 443 H N -1.012 117.619 119.070 -0.732 0.000 2.429 443 H HA 0.490 5.041 4.556 -0.008 0.000 0.231 443 H C -3.194 171.007 175.328 -1.879 0.000 1.416 443 H CA -1.933 53.308 56.048 -1.345 0.000 1.443 443 H CB 0.569 29.798 29.762 -0.888 0.000 1.591 443 H HN 0.086 nan 8.280 nan 0.000 0.507 444 P HA 0.088 nan 4.420 nan 0.000 0.225 444 P C -1.302 175.494 177.300 -0.840 0.000 1.813 444 P CA 0.156 62.204 63.100 -1.752 0.000 1.013 444 P CB -1.024 30.191 31.700 -0.807 0.000 1.961 445 W N -0.011 121.029 121.300 -0.433 0.000 3.213 445 W HA 0.501 5.158 4.660 -0.004 0.000 0.318 445 W C -0.998 175.625 176.519 0.173 0.000 1.248 445 W CA -1.253 56.145 57.345 0.088 0.000 1.187 445 W CB 0.046 29.570 29.460 0.108 0.000 1.403 445 W HN 0.007 nan 8.180 nan 0.000 0.556 446 H N 1.194 120.527 119.070 0.438 0.000 2.551 446 H HA 0.703 5.254 4.556 -0.007 0.000 0.358 446 H C -0.102 175.379 175.328 0.255 0.000 1.151 446 H CA 0.630 56.830 56.048 0.253 0.000 1.374 446 H CB 1.453 31.300 29.762 0.141 0.000 1.473 446 H HN 0.584 nan 8.280 nan 0.000 0.574 447 T N 1.889 116.076 114.554 -0.611 0.000 2.893 447 T HA 0.515 4.861 4.350 -0.007 0.000 0.293 447 T C -0.823 173.566 174.700 -0.518 0.000 1.027 447 T CA -1.122 60.645 62.100 -0.554 0.000 0.988 447 T CB 1.697 70.117 68.868 -0.746 0.000 1.043 447 T HN 0.665 nan 8.240 nan 0.000 0.461 448 Q N 1.616 121.333 119.800 -0.140 0.000 2.285 448 Q HA 0.583 4.919 4.340 -0.007 0.000 0.269 448 Q C -1.249 174.675 176.000 -0.127 0.000 1.030 448 Q CA -0.670 54.978 55.803 -0.258 0.000 0.788 448 Q CB 2.697 31.143 28.738 -0.486 0.000 1.266 448 Q HN 0.715 nan 8.270 nan 0.000 0.438 449 I N 4.515 124.971 120.570 -0.190 0.000 2.537 449 I HA 0.354 4.520 4.170 -0.007 0.000 0.276 449 I C -0.615 175.411 176.117 -0.151 0.000 1.063 449 I CA -0.502 60.562 61.300 -0.394 0.000 1.144 449 I CB 0.450 38.080 38.000 -0.618 0.000 1.252 449 I HN 0.660 nan 8.210 nan 0.000 0.480 450 H N 4.364 123.266 119.070 -0.280 0.000 2.917 450 H HA 0.571 5.123 4.556 -0.007 0.000 0.269 450 H C -1.433 173.842 175.328 -0.089 0.000 1.488 450 H CA -1.329 54.634 56.048 -0.142 0.000 1.173 450 H CB 1.346 31.052 29.762 -0.095 0.000 1.868 450 H HN 0.177 nan 8.280 nan 0.000 0.600 451 R N 1.216 121.581 120.500 -0.225 0.000 2.409 451 R HA 0.285 4.620 4.340 -0.007 0.000 0.313 451 R C -0.952 175.156 176.300 -0.320 0.000 0.953 451 R CA -0.554 55.381 56.100 -0.274 0.000 0.849 451 R CB 1.332 31.597 30.300 -0.059 0.000 1.171 451 R HN 0.716 nan 8.270 nan 0.000 0.458 452 D N 1.496 121.654 120.400 -0.403 0.000 2.163 452 D HA 0.278 4.914 4.640 -0.007 0.000 0.248 452 D C 0.751 177.108 176.300 0.094 0.000 1.035 452 D CA -0.224 53.680 54.000 -0.160 0.000 0.872 452 D CB 2.030 42.776 40.800 -0.090 0.000 1.183 452 D HN 0.506 nan 8.370 nan 0.000 0.445 453 A N 4.473 127.390 122.820 0.162 0.000 2.019 453 A HA -0.115 4.200 4.320 -0.007 0.000 0.219 453 A C 1.145 178.973 177.584 0.406 0.000 1.164 453 A CA 0.580 52.811 52.037 0.323 0.000 0.644 453 A CB -0.420 18.757 19.000 0.294 0.000 0.805 453 A HN 0.647 nan 8.150 nan 0.000 0.449 454 F N 0.330 120.349 119.950 0.114 0.000 2.535 454 F HA 0.171 4.698 4.527 0.001 0.000 0.332 454 F C 1.282 177.081 175.800 -0.003 0.000 1.208 454 F CA 0.652 58.672 58.000 0.032 0.000 1.330 454 F CB 0.400 39.386 39.000 -0.024 0.000 1.167 454 F HN 0.159 nan 8.300 nan 0.000 0.597 455 S N 1.925 117.288 115.700 -0.562 0.000 3.367 455 S HA -0.293 4.172 4.470 -0.007 0.000 0.375 455 S C 0.455 174.929 174.600 -0.209 0.000 0.962 455 S CA 0.712 58.641 58.200 -0.452 0.000 1.229 455 S CB -1.565 61.301 63.200 -0.555 0.000 0.905 455 S HN 0.668 nan 8.310 nan 0.000 0.482 456 Y N 0.698 120.919 120.300 -0.131 0.000 2.200 456 Y HA 0.143 4.688 4.550 -0.009 0.000 0.290 456 Y C 2.217 178.068 175.900 -0.081 0.000 1.137 456 Y CA 1.570 59.634 58.100 -0.059 0.000 1.163 456 Y CB -0.357 38.092 38.460 -0.018 0.000 0.988 456 Y HN 0.722 nan 8.280 nan 0.000 0.518 457 G N -0.622 108.189 108.800 0.017 0.000 2.742 457 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.255 457 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.255 457 G C 0.883 175.783 174.900 0.000 0.000 1.322 457 G CA 0.449 45.526 45.100 -0.039 0.000 0.967 457 G HN 0.824 nan 8.290 nan 0.000 0.556 458 A N -2.293 120.535 122.820 0.014 0.000 1.757 458 A HA 0.715 5.031 4.320 -0.007 0.000 0.205 458 A C 0.643 178.241 177.584 0.024 0.000 1.791 458 A CA 1.538 53.582 52.037 0.012 0.000 1.282 458 A CB 0.263 19.259 19.000 -0.005 0.000 1.297 458 A HN 1.668 nan 8.150 nan 0.000 0.422 459 V N 1.725 121.654 119.914 0.026 0.000 2.716 459 V HA 0.298 4.414 4.120 -0.007 0.000 0.304 459 V C 0.316 176.439 176.094 0.048 0.000 1.053 459 V CA -0.661 61.656 62.300 0.029 0.000 0.984 459 V CB 1.607 33.441 31.823 0.019 0.000 1.021 459 V HN 0.616 nan 8.190 nan 0.000 0.467 460 Q N 2.057 121.884 119.800 0.046 0.000 2.395 460 Q HA 0.096 4.431 4.340 -0.007 0.000 0.271 460 Q C -0.346 175.688 176.000 0.056 0.000 1.026 460 Q CA -0.158 55.680 55.803 0.058 0.000 0.900 460 Q CB 0.556 29.320 28.738 0.043 0.000 1.266 460 Q HN 0.703 nan 8.270 nan 0.000 0.430 461 Q N 1.354 121.197 119.800 0.071 0.000 2.311 461 Q HA 0.010 4.345 4.340 -0.007 0.000 0.272 461 Q C 1.051 177.076 176.000 0.042 0.000 1.012 461 Q CA 0.333 56.168 55.803 0.053 0.000 0.891 461 Q CB 0.767 29.541 28.738 0.059 0.000 1.201 461 Q HN 0.799 nan 8.270 nan 0.000 0.391 462 S N 2.261 117.979 115.700 0.031 0.000 2.436 462 S HA 0.009 4.475 4.470 -0.007 0.000 0.228 462 S C 0.864 175.481 174.600 0.029 0.000 1.014 462 S CA 0.258 58.474 58.200 0.027 0.000 0.950 462 S CB 0.276 63.488 63.200 0.020 0.000 0.784 462 S HN 0.477 nan 8.310 nan 0.000 0.504 463 I N 3.378 123.966 120.570 0.029 0.000 2.428 463 I HA 0.265 4.431 4.170 -0.007 0.000 0.289 463 I C 0.459 176.601 176.117 0.042 0.000 1.019 463 I CA -0.959 60.359 61.300 0.031 0.000 1.351 463 I CB 0.507 38.521 38.000 0.024 0.000 1.412 463 I HN 0.266 nan 8.210 nan 0.000 0.513 464 D N 3.693 124.121 120.400 0.048 0.000 2.493 464 D HA -0.101 4.534 4.640 -0.007 0.000 0.240 464 D C 1.154 177.491 176.300 0.061 0.000 1.142 464 D CA 0.368 54.405 54.000 0.062 0.000 0.872 464 D CB 1.077 41.919 40.800 0.070 0.000 1.173 464 D HN 0.601 nan 8.370 nan 0.000 0.467 465 S N 3.883 119.629 115.700 0.076 0.000 2.419 465 S HA -0.180 4.285 4.470 -0.007 0.000 0.235 465 S C 1.756 176.397 174.600 0.068 0.000 1.019 465 S CA 1.093 59.341 58.200 0.081 0.000 0.982 465 S CB 0.075 63.345 63.200 0.117 0.000 0.789 465 S HN 0.509 nan 8.310 nan 0.000 0.490 466 R N 0.125 120.664 120.500 0.064 0.000 2.193 466 R HA 0.086 4.422 4.340 -0.007 0.000 0.229 466 R C 1.894 178.212 176.300 0.031 0.000 1.110 466 R CA 1.117 57.240 56.100 0.039 0.000 0.988 466 R CB -0.269 30.039 30.300 0.013 0.000 0.871 466 R HN 0.440 nan 8.270 nan 0.000 0.458 467 L N 0.282 121.527 121.223 0.036 0.000 2.418 467 L HA 0.126 4.461 4.340 -0.007 0.000 0.218 467 L C 0.690 177.587 176.870 0.045 0.000 1.125 467 L CA 0.194 55.056 54.840 0.036 0.000 0.835 467 L CB 0.100 42.179 42.059 0.033 0.000 0.953 467 L HN 0.056 nan 8.230 nan 0.000 0.454 468 I N 0.265 120.859 120.570 0.040 0.000 2.353 468 I HA 0.247 4.412 4.170 -0.007 0.000 0.293 468 I C -0.618 175.518 176.117 0.032 0.000 0.992 468 I CA -0.385 60.936 61.300 0.035 0.000 1.268 468 I CB 1.775 39.778 38.000 0.006 0.000 1.387 468 I HN -0.291 nan 8.210 nan 0.000 0.478 469 V N 4.968 124.922 119.914 0.065 0.000 2.638 469 V HA 0.312 4.428 4.120 -0.007 0.000 0.306 469 V C -0.797 175.311 176.094 0.022 0.000 1.052 469 V CA -0.860 61.449 62.300 0.015 0.000 0.885 469 V CB 2.123 33.969 31.823 0.038 0.000 0.999 469 V HN 0.588 nan 8.190 nan 0.000 0.424 470 D N 2.553 122.894 120.400 -0.097 0.000 2.264 470 D HA 0.470 5.105 4.640 -0.007 0.000 0.249 470 D C -0.968 175.263 176.300 -0.115 0.000 1.070 470 D CA 0.110 54.100 54.000 -0.016 0.000 0.912 470 D CB 1.279 42.066 40.800 -0.023 0.000 1.193 470 D HN 0.441 nan 8.370 nan 0.000 0.427 471 W N 1.108 122.419 121.300 0.019 0.000 2.619 471 W HA 0.452 5.106 4.660 -0.010 0.000 0.327 471 W C 0.148 176.743 176.519 0.128 0.000 1.027 471 W CA -0.839 56.556 57.345 0.084 0.000 1.233 471 W CB 1.304 30.687 29.460 -0.128 0.000 1.370 471 W HN -0.076 nan 8.180 nan 0.000 0.453 472 R N 3.014 123.773 120.500 0.431 0.000 2.483 472 R HA 0.499 4.835 4.340 -0.007 0.000 0.303 472 R C -1.536 174.944 176.300 0.300 0.000 0.987 472 R CA -0.823 55.399 56.100 0.203 0.000 0.881 472 R CB 1.542 31.897 30.300 0.093 0.000 1.177 472 R HN 0.174 nan 8.270 nan 0.000 0.451 473 F N 3.015 122.827 119.950 -0.231 0.000 2.469 473 F HA 0.513 5.036 4.527 -0.005 0.000 0.332 473 F C -0.238 175.460 175.800 -0.170 0.000 1.103 473 F CA -1.514 56.446 58.000 -0.066 0.000 0.979 473 F CB 1.107 40.046 39.000 -0.103 0.000 1.137 473 F HN 0.308 nan 8.300 nan 0.000 0.463 474 F N 1.223 121.363 119.950 0.316 0.000 2.477 474 F HA 0.628 5.152 4.527 -0.005 0.000 0.335 474 F C 0.659 176.665 175.800 0.344 0.000 1.130 474 F CA -0.990 57.192 58.000 0.303 0.000 0.948 474 F CB 1.562 40.789 39.000 0.379 0.000 1.154 474 F HN 0.558 nan 8.300 nan 0.000 0.439 475 G N 2.132 111.178 108.800 0.409 0.000 2.504 475 G HA2 0.597 4.553 3.960 -0.007 0.000 0.288 475 G HA3 0.597 4.553 3.960 -0.007 0.000 0.288 475 G C -0.846 174.243 174.900 0.316 0.000 1.182 475 G CA -0.995 44.327 45.100 0.371 0.000 0.894 475 G HN 0.730 nan 8.290 nan 0.000 0.521 476 R N -0.733 119.950 120.500 0.305 0.000 2.428 476 R HA 0.641 4.976 4.340 -0.007 0.000 0.294 476 R C -1.006 175.395 176.300 0.168 0.000 1.000 476 R CA -0.575 55.630 56.100 0.174 0.000 0.960 476 R CB 1.295 31.717 30.300 0.203 0.000 1.076 476 R HN 0.260 nan 8.270 nan 0.000 0.475 477 T N 2.535 117.155 114.554 0.111 0.000 2.786 477 T HA 0.160 4.505 4.350 -0.007 0.000 0.283 477 T C -0.688 174.096 174.700 0.139 0.000 0.992 477 T CA -0.730 61.483 62.100 0.189 0.000 0.954 477 T CB 1.221 70.268 68.868 0.299 0.000 0.934 477 T HN 0.578 nan 8.240 nan 0.000 0.440 478 E N 4.505 124.790 120.200 0.142 0.000 2.465 478 E HA 0.079 4.425 4.350 -0.007 0.000 0.260 478 E C -2.114 174.569 176.600 0.139 0.000 0.980 478 E CA -1.223 55.252 56.400 0.126 0.000 0.927 478 E CB 0.265 30.030 29.700 0.108 0.000 0.934 478 E HN 0.307 nan 8.360 nan 0.000 0.459 479 P HA 0.092 nan 4.420 nan 0.000 0.276 479 P C -0.923 176.536 177.300 0.264 0.000 1.243 479 P CA 0.020 63.263 63.100 0.239 0.000 0.768 479 P CB 0.704 32.562 31.700 0.264 0.000 0.856 480 K N 2.652 123.156 120.400 0.173 0.000 2.427 480 K HA 0.178 4.494 4.320 -0.007 0.000 0.252 480 K C 0.938 177.382 176.600 -0.260 0.000 0.931 480 K CA -0.712 55.591 56.287 0.028 0.000 0.793 480 K CB 2.409 34.887 32.500 -0.037 0.000 1.211 480 K HN 0.448 nan 8.250 nan 0.000 0.426 481 E N 2.115 121.993 120.200 -0.537 0.000 2.118 481 E HA -0.220 4.126 4.350 -0.007 0.000 0.195 481 E C 1.037 177.383 176.600 -0.423 0.000 0.992 481 E CA 1.523 57.354 56.400 -0.948 0.000 0.804 481 E CB 0.474 29.808 29.700 -0.611 0.000 0.741 481 E HN 0.548 nan 8.360 nan 0.000 0.458 482 E N 0.382 120.440 120.200 -0.236 0.000 2.338 482 E HA -0.132 4.213 4.350 -0.007 0.000 0.197 482 E C 0.034 176.576 176.600 -0.097 0.000 1.007 482 E CA 0.411 56.728 56.400 -0.139 0.000 0.849 482 E CB -0.311 29.323 29.700 -0.111 0.000 0.774 482 E HN 0.078 nan 8.360 nan 0.000 0.506 483 N N 2.035 120.672 118.700 -0.106 0.000 2.406 483 N HA 0.170 4.906 4.740 -0.007 0.000 0.251 483 N C -0.753 174.824 175.510 0.111 0.000 1.069 483 N CA 0.140 53.184 53.050 -0.010 0.000 0.947 483 N CB 1.048 39.497 38.487 -0.063 0.000 1.111 483 N HN 0.124 nan 8.380 nan 0.000 0.497 484 K N 1.157 121.673 120.400 0.193 0.000 2.435 484 K HA 0.479 4.795 4.320 -0.007 0.000 0.251 484 K C -1.064 175.696 176.600 0.267 0.000 0.954 484 K CA -0.945 55.474 56.287 0.221 0.000 0.820 484 K CB 2.392 35.021 32.500 0.215 0.000 1.292 484 K HN 0.166 nan 8.250 nan 0.000 0.436 485 L N 3.895 125.222 121.223 0.174 0.000 2.298 485 L HA 0.550 4.885 4.340 -0.007 0.000 0.284 485 L C -1.304 175.505 176.870 -0.101 0.000 1.013 485 L CA -0.100 54.683 54.840 -0.096 0.000 0.824 485 L CB 0.515 42.518 42.059 -0.093 0.000 1.221 485 L HN 0.697 nan 8.230 nan 0.000 0.418 486 W N 3.723 124.730 121.300 -0.487 0.000 2.967 486 W HA 0.663 5.320 4.660 -0.006 0.000 0.342 486 W C -2.159 173.898 176.519 -0.770 0.000 1.162 486 W CA -1.239 55.871 57.345 -0.391 0.000 1.085 486 W CB 0.937 30.320 29.460 -0.129 0.000 1.460 486 W HN 0.332 nan 8.180 nan 0.000 0.584 487 F N 1.469 121.606 119.950 0.311 0.000 2.547 487 F HA 0.327 4.850 4.527 -0.007 0.000 0.316 487 F C 0.773 176.730 175.800 0.263 0.000 1.121 487 F CA -0.930 57.131 58.000 0.101 0.000 0.911 487 F CB 2.091 41.133 39.000 0.069 0.000 1.179 487 F HN 0.279 nan 8.300 nan 0.000 0.443 488 S N 1.089 116.930 115.700 0.234 0.000 2.568 488 S HA 0.034 4.499 4.470 -0.007 0.000 0.282 488 S C 0.763 175.507 174.600 0.240 0.000 1.338 488 S CA -0.415 57.953 58.200 0.280 0.000 1.045 488 S CB 0.362 63.633 63.200 0.118 0.000 0.873 488 S HN 0.696 nan 8.310 nan 0.000 0.516 489 D N 2.814 123.341 120.400 0.212 0.000 2.339 489 D HA 0.142 4.777 4.640 -0.007 0.000 0.217 489 D C 0.876 177.234 176.300 0.097 0.000 1.050 489 D CA 0.439 54.519 54.000 0.134 0.000 0.856 489 D CB 0.172 41.035 40.800 0.105 0.000 0.922 489 D HN 0.512 nan 8.370 nan 0.000 0.518 490 K N -0.494 119.967 120.400 0.102 0.000 2.567 490 K HA 0.177 4.492 4.320 -0.007 0.000 0.199 490 K C 0.315 176.953 176.600 0.064 0.000 1.412 490 K CA -0.301 56.030 56.287 0.073 0.000 1.020 490 K CB 1.101 33.644 32.500 0.072 0.000 1.487 490 K HN 0.025 nan 8.250 nan 0.000 0.531 491 I N 3.581 124.192 120.570 0.069 0.000 2.474 491 I HA 0.086 4.252 4.170 -0.007 0.000 0.287 491 I C 0.674 176.823 176.117 0.054 0.000 1.048 491 I CA 0.247 61.577 61.300 0.050 0.000 1.383 491 I CB 0.803 38.824 38.000 0.034 0.000 1.412 491 I HN 0.192 nan 8.210 nan 0.000 0.531 492 T N 1.379 115.961 114.554 0.046 0.000 2.908 492 T HA 0.585 4.931 4.350 -0.007 0.000 0.290 492 T C -0.367 174.365 174.700 0.053 0.000 1.034 492 T CA -0.934 61.199 62.100 0.055 0.000 1.010 492 T CB 2.387 71.282 68.868 0.045 0.000 1.068 492 T HN 0.541 nan 8.240 nan 0.000 0.481 493 D N 0.991 121.438 120.400 0.080 0.000 2.478 493 D HA 0.463 5.098 4.640 -0.007 0.000 0.274 493 D C 1.623 177.957 176.300 0.057 0.000 1.234 493 D CA -0.436 53.617 54.000 0.089 0.000 1.069 493 D CB -0.028 40.866 40.800 0.156 0.000 1.113 493 D HN 0.651 nan 8.370 nan 0.000 0.571 494 A N -1.385 121.457 122.820 0.036 0.000 2.125 494 A HA -0.113 4.203 4.320 -0.007 0.000 0.219 494 A C 1.162 178.563 177.584 -0.304 0.000 1.156 494 A CA 0.872 52.829 52.037 -0.133 0.000 0.671 494 A CB -0.965 17.914 19.000 -0.202 0.000 0.794 494 A HN 0.551 nan 8.150 nan 0.000 0.459 495 Y N -0.697 119.624 120.300 0.036 0.000 2.658 495 Y HA 0.206 4.751 4.550 -0.008 0.000 0.276 495 Y C 0.496 176.416 175.900 0.032 0.000 1.167 495 Y CA -0.142 57.981 58.100 0.039 0.000 1.230 495 Y CB -0.538 37.933 38.460 0.017 0.000 1.144 495 Y HN 0.511 nan 8.280 nan 0.000 0.529 496 N N -0.840 117.919 118.700 0.098 0.000 2.741 496 N HA -0.179 4.556 4.740 -0.007 0.000 0.250 496 N C -0.647 174.899 175.510 0.060 0.000 1.115 496 N CA 0.481 53.565 53.050 0.056 0.000 0.724 496 N CB -0.734 37.767 38.487 0.023 0.000 1.090 496 N HN 0.170 nan 8.380 nan 0.000 0.558 497 M N -0.196 119.460 119.600 0.094 0.000 2.537 497 M HA 0.418 4.893 4.480 -0.007 0.000 0.324 497 M C -2.217 174.138 176.300 0.091 0.000 1.187 497 M CA -2.078 53.265 55.300 0.072 0.000 0.993 497 M CB 0.607 33.252 32.600 0.075 0.000 1.666 497 M HN -0.295 nan 8.290 nan 0.000 0.461 498 P HA -0.008 nan 4.420 nan 0.000 0.261 498 P C -0.605 176.839 177.300 0.240 0.000 1.183 498 P CA 0.092 63.278 63.100 0.145 0.000 0.761 498 P CB 0.212 32.000 31.700 0.148 0.000 0.785 499 Q N 6.981 126.872 119.800 0.151 0.000 2.271 499 Q HA 0.156 4.492 4.340 -0.007 0.000 0.273 499 Q C -2.252 173.718 176.000 -0.049 0.000 1.051 499 Q CA -1.867 53.977 55.803 0.067 0.000 0.901 499 Q CB -0.243 28.488 28.738 -0.013 0.000 1.174 499 Q HN 0.293 nan 8.270 nan 0.000 0.385 500 P HA 0.115 nan 4.420 nan 0.000 0.271 500 P C -1.059 175.763 177.300 -0.798 0.000 1.216 500 P CA -0.116 62.591 63.100 -0.654 0.000 0.776 500 P CB 1.016 32.405 31.700 -0.518 0.000 0.881 501 T N 2.675 116.523 114.554 -1.177 0.000 2.952 501 T HA 0.510 4.855 4.350 -0.007 0.000 0.305 501 T C -0.648 173.379 174.700 -1.122 0.000 1.064 501 T CA -0.119 61.295 62.100 -1.145 0.000 1.008 501 T CB 0.539 68.394 68.868 -1.688 0.000 1.078 501 T HN 0.043 nan 8.240 nan 0.000 0.459 502 F N 1.860 121.541 119.950 -0.448 0.000 2.425 502 F HA 0.535 5.058 4.527 -0.007 0.000 0.331 502 F C 0.652 176.413 175.800 -0.065 0.000 1.085 502 F CA -0.916 56.952 58.000 -0.221 0.000 1.028 502 F CB 1.138 40.052 39.000 -0.143 0.000 1.177 502 F HN 0.400 nan 8.300 nan 0.000 0.487 503 D N 3.256 123.837 120.400 0.303 0.000 2.375 503 D HA 0.216 4.852 4.640 -0.007 0.000 0.259 503 D C -1.783 174.658 176.300 0.235 0.000 1.235 503 D CA -0.073 54.087 54.000 0.267 0.000 0.924 503 D CB 0.381 41.365 40.800 0.307 0.000 1.143 503 D HN 0.306 nan 8.370 nan 0.000 0.529 504 F N 3.200 123.153 119.950 0.005 0.000 2.569 504 F HA 0.574 5.096 4.527 -0.008 0.000 0.312 504 F C -1.127 174.572 175.800 -0.167 0.000 1.109 504 F CA -0.614 57.320 58.000 -0.110 0.000 0.919 504 F CB 1.372 40.244 39.000 -0.213 0.000 1.211 504 F HN 0.006 nan 8.300 nan 0.000 0.446 505 R N 4.417 124.409 120.500 -0.846 0.000 2.725 505 R HA 0.353 4.688 4.340 -0.007 0.000 0.277 505 R C -1.625 174.060 176.300 -1.024 0.000 0.987 505 R CA -0.961 54.758 56.100 -0.635 0.000 0.901 505 R CB 1.746 31.882 30.300 -0.273 0.000 1.207 505 R HN 0.578 nan 8.270 nan 0.000 0.463 506 F N 2.886 122.622 119.950 -0.357 0.000 2.578 506 F HA 0.165 4.686 4.527 -0.009 0.000 0.381 506 F C -1.296 174.382 175.800 -0.204 0.000 1.069 506 F CA -1.118 56.750 58.000 -0.220 0.000 1.231 506 F CB -0.120 38.874 39.000 -0.010 0.000 1.086 506 F HN 0.143 nan 8.300 nan 0.000 0.564 507 P HA 0.007 nan 4.420 nan 0.000 0.266 507 P C 0.053 177.368 177.300 0.025 0.000 1.195 507 P CA 0.175 63.258 63.100 -0.027 0.000 0.768 507 P CB 0.804 32.501 31.700 -0.004 0.000 0.838 508 A N 3.352 126.174 122.820 0.002 0.000 2.067 508 A HA 0.037 4.353 4.320 -0.007 0.000 0.219 508 A C 1.682 179.277 177.584 0.019 0.000 1.158 508 A CA 1.874 53.916 52.037 0.008 0.000 0.661 508 A CB -1.151 17.846 19.000 -0.005 0.000 0.801 508 A HN 0.623 nan 8.150 nan 0.000 0.452 509 G N -1.153 107.664 108.800 0.029 0.000 3.287 509 G HA2 0.127 4.082 3.960 -0.007 0.000 0.172 509 G HA3 0.127 4.082 3.960 -0.007 0.000 0.172 509 G C 1.273 176.205 174.900 0.053 0.000 1.922 509 G CA 0.321 45.443 45.100 0.037 0.000 0.952 509 G HN 0.330 nan 8.290 nan 0.000 0.520 510 R N -0.641 119.898 120.500 0.065 0.000 2.103 510 R HA -0.125 4.210 4.340 -0.007 0.000 0.242 510 R C 2.678 179.039 176.300 0.102 0.000 1.142 510 R CA 2.237 58.387 56.100 0.083 0.000 0.960 510 R CB -0.800 29.553 30.300 0.088 0.000 0.858 510 R HN 0.438 nan 8.270 nan 0.000 0.439 511 T N -0.020 114.598 114.554 0.106 0.000 2.684 511 T HA -0.117 4.228 4.350 -0.007 0.000 0.267 511 T C 1.924 176.682 174.700 0.098 0.000 1.036 511 T CA 1.836 64.015 62.100 0.132 0.000 1.148 511 T CB -0.174 68.793 68.868 0.165 0.000 0.863 511 T HN 0.294 nan 8.240 nan 0.000 0.436 512 S N 0.591 116.331 115.700 0.067 0.000 2.371 512 S HA -0.026 4.440 4.470 -0.007 0.000 0.224 512 S C 2.012 176.622 174.600 0.017 0.000 1.029 512 S CA 0.955 59.164 58.200 0.014 0.000 0.978 512 S CB -0.191 63.010 63.200 0.002 0.000 0.833 512 S HN 0.506 nan 8.310 nan 0.000 0.466 513 K N 1.425 121.852 120.400 0.045 0.000 2.032 513 K HA -0.162 4.154 4.320 -0.007 0.000 0.209 513 K C 1.932 178.584 176.600 0.087 0.000 1.048 513 K CA 1.572 57.893 56.287 0.057 0.000 0.927 513 K CB -0.141 32.398 32.500 0.066 0.000 0.712 513 K HN 0.358 nan 8.250 nan 0.000 0.441 514 E N -0.139 120.139 120.200 0.131 0.000 2.110 514 E HA -0.186 4.160 4.350 -0.007 0.000 0.193 514 E C 1.988 178.655 176.600 0.112 0.000 0.988 514 E CA 0.970 57.502 56.400 0.220 0.000 0.804 514 E CB -0.119 29.756 29.700 0.293 0.000 0.745 514 E HN 0.468 nan 8.360 nan 0.000 0.458 515 A N 1.366 124.232 122.820 0.077 0.000 1.902 515 A HA -0.248 4.068 4.320 -0.007 0.000 0.217 515 A C 2.079 179.717 177.584 0.091 0.000 1.181 515 A CA 1.805 53.882 52.037 0.066 0.000 0.623 515 A CB -0.358 18.648 19.000 0.011 0.000 0.818 515 A HN 0.139 nan 8.150 nan 0.000 0.443 516 E N 0.454 120.690 120.200 0.059 0.000 2.107 516 E HA -0.135 4.211 4.350 -0.007 0.000 0.191 516 E C 1.274 177.849 176.600 -0.041 0.000 0.982 516 E CA 1.417 57.854 56.400 0.062 0.000 0.809 516 E CB -0.286 29.427 29.700 0.023 0.000 0.756 516 E HN 0.507 nan 8.360 nan 0.000 0.459 517 D N -0.064 120.303 120.400 -0.055 0.000 2.178 517 D HA -0.174 4.462 4.640 -0.007 0.000 0.201 517 D C 1.880 177.915 176.300 -0.441 0.000 0.980 517 D CA 1.081 55.028 54.000 -0.088 0.000 0.842 517 D CB -0.292 40.579 40.800 0.118 0.000 0.948 517 D HN 0.330 nan 8.370 nan 0.000 0.472 518 M N -0.258 118.854 119.600 -0.812 0.000 2.099 518 M HA -0.193 4.282 4.480 -0.007 0.000 0.262 518 M C 2.068 177.963 176.300 -0.675 0.000 1.067 518 M CA 1.202 55.701 55.300 -1.336 0.000 1.124 518 M CB -0.004 31.974 32.600 -1.037 0.000 1.353 518 M HN -0.044 nan 8.290 nan 0.000 0.410 519 M N 0.525 119.851 119.600 -0.456 0.000 2.073 519 M HA -0.179 4.296 4.480 -0.007 0.000 0.258 519 M C 1.800 177.900 176.300 -0.332 0.000 1.070 519 M CA 2.531 57.571 55.300 -0.433 0.000 1.103 519 M CB -1.026 31.393 32.600 -0.302 0.000 1.321 519 M HN 0.302 nan 8.290 nan 0.000 0.405 520 T N -0.008 114.416 114.554 -0.216 0.000 2.684 520 T HA -0.187 4.158 4.350 -0.007 0.000 0.267 520 T C 1.521 176.157 174.700 -0.107 0.000 1.036 520 T CA 1.858 63.882 62.100 -0.127 0.000 1.148 520 T CB -0.693 68.143 68.868 -0.055 0.000 0.863 520 T HN 0.548 nan 8.240 nan 0.000 0.436 521 D N 0.519 120.864 120.400 -0.091 0.000 2.123 521 D HA -0.094 4.541 4.640 -0.007 0.000 0.196 521 D C 2.055 178.373 176.300 0.030 0.000 0.992 521 D CA 0.949 55.016 54.000 0.111 0.000 0.833 521 D CB -0.239 40.769 40.800 0.347 0.000 0.954 521 D HN 0.316 nan 8.370 nan 0.000 0.455 522 M N -0.576 118.797 119.600 -0.378 0.000 2.132 522 M HA -0.160 4.316 4.480 -0.007 0.000 0.263 522 M C 1.954 177.966 176.300 -0.481 0.000 1.065 522 M CA 1.276 56.070 55.300 -0.844 0.000 1.122 522 M CB -0.143 31.688 32.600 -1.281 0.000 1.365 522 M HN 0.191 nan 8.290 nan 0.000 0.411 523 C N -0.287 118.831 119.300 -0.303 0.000 2.429 523 C HA -0.117 4.339 4.460 -0.007 0.000 0.277 523 C C 2.672 177.572 174.990 -0.151 0.000 1.262 523 C CA 0.906 59.846 59.018 -0.129 0.000 1.733 523 C CB -1.005 26.708 27.740 -0.046 0.000 2.010 523 C HN 0.498 nan 8.230 nan 0.000 0.483 524 V N 0.487 120.345 119.914 -0.093 0.000 2.307 524 V HA -0.273 3.843 4.120 -0.007 0.000 0.245 524 V C 2.385 178.461 176.094 -0.030 0.000 1.045 524 V CA 2.250 64.526 62.300 -0.041 0.000 1.024 524 V CB -0.648 31.203 31.823 0.046 0.000 0.651 524 V HN 0.586 nan 8.190 nan 0.000 0.449 525 M N 0.695 120.321 119.600 0.044 0.000 2.132 525 M HA -0.154 4.322 4.480 -0.007 0.000 0.263 525 M C 2.486 178.686 176.300 -0.166 0.000 1.065 525 M CA 2.255 57.664 55.300 0.181 0.000 1.122 525 M CB -0.192 32.681 32.600 0.456 0.000 1.365 525 M HN 0.544 nan 8.290 nan 0.000 0.411 526 S N 0.654 115.926 115.700 -0.712 0.000 2.399 526 S HA -0.090 4.376 4.470 -0.007 0.000 0.231 526 S C 2.007 176.228 174.600 -0.633 0.000 1.022 526 S CA 1.058 58.435 58.200 -1.370 0.000 0.983 526 S CB -0.928 61.205 63.200 -1.778 0.000 0.803 526 S HN 0.581 nan 8.310 nan 0.000 0.480 527 A N 2.142 124.690 122.820 -0.453 0.000 2.024 527 A HA -0.084 4.232 4.320 -0.007 0.000 0.220 527 A C 2.191 179.651 177.584 -0.207 0.000 1.164 527 A CA 1.558 53.385 52.037 -0.350 0.000 0.643 527 A CB -0.597 18.227 19.000 -0.293 0.000 0.806 527 A HN 0.664 nan 8.150 nan 0.000 0.451 528 K N -0.766 119.557 120.400 -0.128 0.000 2.288 528 K HA 0.020 4.336 4.320 -0.007 0.000 0.201 528 K C 1.234 177.828 176.600 -0.011 0.000 1.048 528 K CA 0.779 57.035 56.287 -0.051 0.000 0.956 528 K CB -0.028 32.477 32.500 0.008 0.000 0.746 528 K HN 0.417 nan 8.250 nan 0.000 0.461 529 I N -0.569 120.010 120.570 0.015 0.000 2.810 529 I HA 0.133 4.298 4.170 -0.007 0.000 0.262 529 I C 1.173 177.306 176.117 0.027 0.000 1.131 529 I CA 0.658 62.015 61.300 0.095 0.000 1.453 529 I CB -0.189 38.012 38.000 0.335 0.000 1.161 529 I HN 0.108 nan 8.210 nan 0.000 0.444 530 G N -0.711 108.050 108.800 -0.065 0.000 2.349 530 G HA2 0.455 4.410 3.960 -0.007 0.000 0.294 530 G HA3 0.455 4.410 3.960 -0.007 0.000 0.294 530 G C -0.612 174.142 174.900 -0.242 0.000 1.380 530 G CA -0.181 44.856 45.100 -0.105 0.000 0.811 530 G HN 0.301 nan 8.290 nan 0.000 0.519 531 G N -1.114 107.540 108.800 -0.244 0.000 2.572 531 G HA2 0.533 4.489 3.960 -0.007 0.000 0.261 531 G HA3 0.533 4.489 3.960 -0.007 0.000 0.261 531 G C -0.204 174.507 174.900 -0.314 0.000 1.197 531 G CA -0.470 44.394 45.100 -0.394 0.000 0.870 531 G HN 0.456 nan 8.290 nan 0.000 0.548 532 F N -0.751 119.099 119.950 -0.167 0.000 2.553 532 F HA 0.197 4.721 4.527 -0.006 0.000 0.356 532 F C 0.715 176.444 175.800 -0.117 0.000 1.142 532 F CA -0.771 57.124 58.000 -0.176 0.000 1.322 532 F CB 0.575 39.460 39.000 -0.192 0.000 1.126 532 F HN 0.175 nan 8.300 nan 0.000 0.599 533 L N 5.800 127.078 121.223 0.093 0.000 2.313 533 L HA 0.414 4.750 4.340 -0.007 0.000 0.282 533 L C -2.407 174.476 176.870 0.022 0.000 1.092 533 L CA -1.934 52.926 54.840 0.033 0.000 0.831 533 L CB 0.065 42.129 42.059 0.009 0.000 1.159 533 L HN 0.280 nan 8.230 nan 0.000 0.442 534 P HA 0.180 nan 4.420 nan 0.000 0.264 534 P C 0.643 177.939 177.300 -0.005 0.000 1.183 534 P CA 1.042 64.145 63.100 0.006 0.000 0.763 534 P CB 0.628 32.332 31.700 0.007 0.000 0.807 535 G N 1.890 110.681 108.800 -0.016 0.000 2.205 535 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.261 535 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.261 535 G C 0.436 175.331 174.900 -0.008 0.000 0.980 535 G CA 0.310 45.401 45.100 -0.013 0.000 0.632 535 G HN 0.531 nan 8.290 nan 0.000 0.533 536 S N 0.591 116.271 115.700 -0.034 0.000 2.526 536 S HA 0.511 4.976 4.470 -0.007 0.000 0.220 536 S C 0.436 174.906 174.600 -0.218 0.000 1.159 536 S CA -0.571 57.593 58.200 -0.060 0.000 1.196 536 S CB 0.333 63.495 63.200 -0.063 0.000 1.225 536 S HN 0.466 nan 8.310 nan 0.000 0.432 537 L N 2.521 123.614 121.223 -0.218 0.000 2.453 537 L HA 0.370 4.705 4.340 -0.007 0.000 0.261 537 L C -2.031 174.525 176.870 -0.522 0.000 1.179 537 L CA -2.247 52.343 54.840 -0.416 0.000 0.813 537 L CB -0.021 41.863 42.059 -0.292 0.000 1.110 537 L HN 0.075 nan 8.230 nan 0.000 0.466 538 P HA 0.009 nan 4.420 nan 0.000 0.263 538 P C -1.443 175.620 177.300 -0.396 0.000 1.195 538 P CA 0.110 62.815 63.100 -0.658 0.000 0.762 538 P CB 0.505 31.730 31.700 -0.793 0.000 0.799 539 Q N 1.703 121.314 119.800 -0.314 0.000 2.472 539 Q HA 0.467 4.803 4.340 -0.007 0.000 0.281 539 Q C -1.429 174.427 176.000 -0.240 0.000 0.997 539 Q CA -0.891 54.807 55.803 -0.176 0.000 0.828 539 Q CB 0.685 29.388 28.738 -0.059 0.000 1.443 539 Q HN 0.101 nan 8.270 nan 0.000 0.390 540 F N 1.687 121.579 119.950 -0.097 0.000 2.443 540 F HA 0.280 4.801 4.527 -0.011 0.000 0.353 540 F C 0.601 176.370 175.800 -0.051 0.000 1.101 540 F CA -0.294 57.651 58.000 -0.091 0.000 1.226 540 F CB 0.889 39.823 39.000 -0.110 0.000 1.140 540 F HN 0.386 nan 8.300 nan 0.000 0.557 541 M N 1.610 121.261 119.600 0.085 0.000 2.247 541 M HA 0.171 4.646 4.480 -0.007 0.000 0.326 541 M C 0.101 176.454 176.300 0.089 0.000 1.134 541 M CA -0.813 54.519 55.300 0.054 0.000 1.136 541 M CB 0.406 33.004 32.600 -0.003 0.000 1.454 541 M HN 0.467 nan 8.290 nan 0.000 0.467 542 E N 2.191 122.425 120.200 0.057 0.000 2.502 542 E HA 0.031 4.377 4.350 -0.007 0.000 0.261 542 E C -2.220 174.419 176.600 0.065 0.000 0.974 542 E CA -0.509 55.925 56.400 0.055 0.000 0.936 542 E CB -0.309 29.407 29.700 0.027 0.000 0.926 542 E HN 0.244 nan 8.360 nan 0.000 0.459 543 P HA 0.024 nan 4.420 nan 0.000 0.263 543 P C 0.625 177.878 177.300 -0.078 0.000 1.195 543 P CA 1.051 64.207 63.100 0.093 0.000 0.762 543 P CB 0.684 32.437 31.700 0.088 0.000 0.799 544 G N 2.655 111.407 108.800 -0.081 0.000 2.217 544 G HA2 -0.328 3.628 3.960 -0.007 0.000 0.246 544 G HA3 -0.328 3.628 3.960 -0.007 0.000 0.246 544 G C 0.736 175.589 174.900 -0.078 0.000 0.990 544 G CA 0.221 45.225 45.100 -0.160 0.000 0.627 544 G HN 0.544 nan 8.290 nan 0.000 0.522 545 L N 1.045 122.248 121.223 -0.034 0.000 2.191 545 L HA 0.204 4.540 4.340 -0.007 0.000 0.212 545 L C 2.734 179.570 176.870 -0.058 0.000 1.103 545 L CA 2.489 57.318 54.840 -0.019 0.000 0.769 545 L CB -0.267 41.811 42.059 0.031 0.000 0.908 545 L HN 0.459 nan 8.230 nan 0.000 0.438 546 V N -0.049 119.833 119.914 -0.052 0.000 2.594 546 V HA -0.161 3.954 4.120 -0.007 0.000 0.253 546 V C 1.520 177.507 176.094 -0.178 0.000 1.069 546 V CA 1.212 63.446 62.300 -0.110 0.000 1.082 546 V CB -0.343 31.453 31.823 -0.046 0.000 0.680 546 V HN 0.503 nan 8.190 nan 0.000 0.469 547 L N 0.203 121.398 121.223 -0.047 0.000 3.597 547 L HA -0.243 4.092 4.340 -0.007 0.000 0.440 547 L C 0.316 177.340 176.870 0.257 0.000 1.277 547 L CA 0.874 55.751 54.840 0.062 0.000 0.852 547 L CB -2.468 39.633 42.059 0.069 0.000 1.708 547 L HN 0.564 nan 8.230 nan 0.000 0.885 548 H N -0.809 118.347 119.070 0.144 0.000 2.510 548 H HA 0.275 4.828 4.556 -0.006 0.000 0.266 548 H C 0.516 175.967 175.328 0.206 0.000 1.146 548 H CA -1.072 55.106 56.048 0.216 0.000 0.993 548 H CB 0.777 30.707 29.762 0.280 0.000 1.727 548 H HN 0.220 nan 8.280 nan 0.000 0.590 549 L N 1.937 123.294 121.223 0.224 0.000 2.540 549 L HA 0.199 4.535 4.340 -0.007 0.000 0.276 549 L C 0.593 177.589 176.870 0.211 0.000 1.212 549 L CA 0.830 55.754 54.840 0.140 0.000 0.893 549 L CB 0.356 42.460 42.059 0.075 0.000 1.138 549 L HN 0.283 nan 8.230 nan 0.000 0.491 550 G N 1.803 110.736 108.800 0.222 0.000 2.798 550 G HA2 0.536 4.492 3.960 -0.007 0.000 0.286 550 G HA3 0.536 4.492 3.960 -0.007 0.000 0.286 550 G C 0.300 175.301 174.900 0.167 0.000 1.389 550 G CA -0.308 44.944 45.100 0.253 0.000 0.894 550 G HN 1.333 nan 8.290 nan 0.000 0.488 551 G N -1.312 107.557 108.800 0.114 0.000 2.162 551 G HA2 -0.243 3.712 3.960 -0.007 0.000 0.260 551 G HA3 -0.243 3.712 3.960 -0.007 0.000 0.260 551 G C 1.356 176.317 174.900 0.102 0.000 0.976 551 G CA 1.660 46.832 45.100 0.121 0.000 0.655 551 G HN 1.890 nan 8.290 nan 0.000 0.533 552 T N -2.060 112.503 114.554 0.016 0.000 2.995 552 T HA 0.115 4.460 4.350 -0.007 0.000 0.269 552 T C 1.090 175.870 174.700 0.132 0.000 1.091 552 T CA 1.854 64.004 62.100 0.083 0.000 1.128 552 T CB -0.282 68.642 68.868 0.093 0.000 0.891 552 T HN 1.469 nan 8.240 nan 0.000 0.492 553 H N -0.137 119.008 119.070 0.125 0.000 2.695 553 H HA 0.473 5.024 4.556 -0.007 0.000 0.222 553 H C -0.092 175.283 175.328 0.077 0.000 1.412 553 H CA -1.331 54.768 56.048 0.085 0.000 1.347 553 H CB -0.291 29.484 29.762 0.022 0.000 1.858 553 H HN 0.365 nan 8.280 nan 0.000 0.519 554 R N 0.663 121.251 120.500 0.147 0.000 2.615 554 R HA 0.337 4.672 4.340 -0.007 0.000 0.270 554 R C -0.370 175.995 176.300 0.107 0.000 1.081 554 R CA -0.770 55.388 56.100 0.097 0.000 1.154 554 R CB 1.021 31.370 30.300 0.082 0.000 1.063 554 R HN 0.452 nan 8.270 nan 0.000 0.519 555 M N 1.189 120.828 119.600 0.064 0.000 2.314 555 M HA 0.450 4.926 4.480 -0.007 0.000 0.342 555 M C -0.475 175.829 176.300 0.007 0.000 1.171 555 M CA 0.240 55.554 55.300 0.024 0.000 1.098 555 M CB 1.599 34.186 32.600 -0.022 0.000 1.559 555 M HN 0.959 nan 8.290 nan 0.000 0.459 556 G N 2.010 110.820 108.800 0.016 0.000 2.548 556 G HA2 0.384 4.340 3.960 -0.007 0.000 0.301 556 G HA3 0.384 4.340 3.960 -0.007 0.000 0.301 556 G C -0.952 173.939 174.900 -0.015 0.000 1.349 556 G CA -0.670 44.393 45.100 -0.061 0.000 0.792 556 G HN 0.664 nan 8.290 nan 0.000 0.481 557 F N -0.062 119.992 119.950 0.172 0.000 2.270 557 F HA 0.285 4.808 4.527 -0.007 0.000 0.295 557 F C 1.065 176.995 175.800 0.218 0.000 1.087 557 F CA 1.070 59.175 58.000 0.175 0.000 1.365 557 F CB 0.473 39.534 39.000 0.101 0.000 1.056 557 F HN 0.380 nan 8.300 nan 0.000 0.506 558 D N -0.886 119.675 120.400 0.268 0.000 2.757 558 D HA 0.123 4.758 4.640 -0.007 0.000 0.249 558 D C 0.712 176.839 176.300 -0.287 0.000 1.168 558 D CA -0.241 53.755 54.000 -0.008 0.000 0.870 558 D CB 1.291 42.108 40.800 0.030 0.000 1.411 558 D HN 0.081 nan 8.370 nan 0.000 0.525 559 E N 3.194 122.869 120.200 -0.875 0.000 2.070 559 E HA -0.292 4.054 4.350 -0.007 0.000 0.197 559 E C 1.324 177.744 176.600 -0.301 0.000 1.004 559 E CA 1.333 57.221 56.400 -0.854 0.000 0.805 559 E CB 0.272 29.365 29.700 -1.013 0.000 0.744 559 E HN 0.452 nan 8.360 nan 0.000 0.451 560 K N 0.298 120.568 120.400 -0.218 0.000 2.044 560 K HA -0.146 4.169 4.320 -0.007 0.000 0.204 560 K C 2.251 178.817 176.600 -0.056 0.000 1.045 560 K CA 1.256 57.486 56.287 -0.096 0.000 0.951 560 K CB -0.096 32.362 32.500 -0.070 0.000 0.738 560 K HN 0.062 nan 8.250 nan 0.000 0.443 561 E N 0.227 120.399 120.200 -0.047 0.000 2.110 561 E HA -0.189 4.157 4.350 -0.007 0.000 0.193 561 E C 0.531 177.129 176.600 -0.003 0.000 0.988 561 E CA 1.487 57.883 56.400 -0.008 0.000 0.804 561 E CB 0.159 29.868 29.700 0.014 0.000 0.745 561 E HN 0.332 nan 8.360 nan 0.000 0.458 562 D N -0.038 120.355 120.400 -0.012 0.000 2.363 562 D HA 0.037 4.673 4.640 -0.007 0.000 0.214 562 D C -0.571 175.666 176.300 -0.105 0.000 1.093 562 D CA 0.044 54.032 54.000 -0.019 0.000 0.837 562 D CB -0.057 40.772 40.800 0.049 0.000 0.948 562 D HN 0.207 nan 8.370 nan 0.000 0.507 563 N N 0.510 119.144 118.700 -0.110 0.000 2.696 563 N HA -0.184 4.552 4.740 -0.007 0.000 0.256 563 N C -0.242 175.179 175.510 -0.149 0.000 1.031 563 N CA 0.515 53.470 53.050 -0.158 0.000 0.730 563 N CB -1.486 36.771 38.487 -0.385 0.000 0.894 563 N HN 0.412 nan 8.380 nan 0.000 0.544 564 C N -3.446 115.848 119.300 -0.011 0.000 3.285 564 C HA 0.794 5.250 4.460 -0.007 0.000 0.320 564 C C 1.348 176.501 174.990 0.272 0.000 1.411 564 C CA -0.599 58.486 59.018 0.112 0.000 1.429 564 C CB 1.602 29.428 27.740 0.145 0.000 1.812 564 C HN 0.475 nan 8.230 nan 0.000 0.454 565 C N 0.239 119.746 119.300 0.345 0.000 3.294 565 C HA 0.493 4.948 4.460 -0.007 0.000 0.441 565 C C 0.627 175.756 174.990 0.231 0.000 1.364 565 C CA 0.605 59.837 59.018 0.356 0.000 2.059 565 C CB -0.336 27.534 27.740 0.217 0.000 2.925 565 C HN 0.971 nan 8.230 nan 0.000 0.633 566 V N 1.343 121.278 119.914 0.035 0.000 2.914 566 V HA 0.709 4.824 4.120 -0.007 0.000 0.314 566 V C -0.725 175.060 176.094 -0.516 0.000 1.084 566 V CA -0.631 61.453 62.300 -0.359 0.000 0.963 566 V CB 1.520 33.242 31.823 -0.169 0.000 1.025 566 V HN 0.403 nan 8.190 nan 0.000 0.432 567 N N 1.030 119.249 118.700 -0.800 0.000 2.431 567 N HA 0.245 4.981 4.740 -0.007 0.000 0.289 567 N C 1.077 176.440 175.510 -0.245 0.000 1.277 567 N CA 0.273 53.050 53.050 -0.454 0.000 0.972 567 N CB -0.092 38.128 38.487 -0.445 0.000 1.143 567 N HN 0.932 nan 8.380 nan 0.000 0.578 568 T N -4.689 109.757 114.554 -0.179 0.000 3.113 568 T HA 0.001 4.346 4.350 -0.007 0.000 0.263 568 T C 0.124 174.738 174.700 -0.143 0.000 1.143 568 T CA 0.684 62.680 62.100 -0.174 0.000 1.090 568 T CB -0.380 68.393 68.868 -0.157 0.000 0.922 568 T HN 0.439 nan 8.240 nan 0.000 0.521 569 D N 1.097 121.406 120.400 -0.151 0.000 2.328 569 D HA 0.190 4.825 4.640 -0.007 0.000 0.221 569 D C 0.560 176.860 176.300 -0.000 0.000 1.072 569 D CA 0.110 54.042 54.000 -0.114 0.000 0.850 569 D CB 0.077 40.695 40.800 -0.303 0.000 0.922 569 D HN 0.335 nan 8.370 nan 0.000 0.516 570 S N 0.246 115.916 115.700 -0.050 0.000 3.476 570 S HA -0.265 4.201 4.470 -0.007 0.000 0.309 570 S C 0.564 175.166 174.600 0.004 0.000 1.222 570 S CA 0.451 58.660 58.200 0.015 0.000 0.922 570 S CB -1.376 61.903 63.200 0.131 0.000 1.023 570 S HN 0.466 nan 8.310 nan 0.000 0.591 571 R N 1.175 121.553 120.500 -0.202 0.000 2.308 571 R HA 0.452 4.788 4.340 -0.007 0.000 0.305 571 R C -0.043 175.967 176.300 -0.483 0.000 1.053 571 R CA -0.417 55.374 56.100 -0.515 0.000 0.957 571 R CB 0.662 30.615 30.300 -0.579 0.000 1.022 571 R HN 0.141 nan 8.270 nan 0.000 0.461 572 V N 6.258 125.930 119.914 -0.402 0.000 2.529 572 V HA 0.004 4.119 4.120 -0.007 0.000 0.292 572 V C 0.210 176.279 176.094 -0.042 0.000 1.028 572 V CA 0.188 62.354 62.300 -0.223 0.000 1.074 572 V CB -0.123 31.572 31.823 -0.212 0.000 0.958 572 V HN 0.570 nan 8.190 nan 0.000 0.481 573 F N 3.881 123.893 119.950 0.104 0.000 2.623 573 F HA 0.371 4.893 4.527 -0.008 0.000 0.383 573 F C 1.601 177.513 175.800 0.187 0.000 1.077 573 F CA 1.669 59.738 58.000 0.114 0.000 1.268 573 F CB -0.092 38.965 39.000 0.095 0.000 1.053 573 F HN 0.801 nan 8.300 nan 0.000 0.571 574 G N 2.303 111.259 108.800 0.261 0.000 2.284 574 G HA2 -0.307 3.648 3.960 -0.007 0.000 0.247 574 G HA3 -0.307 3.648 3.960 -0.007 0.000 0.247 574 G C -0.004 174.819 174.900 -0.128 0.000 1.012 574 G CA -0.404 44.730 45.100 0.056 0.000 0.618 574 G HN 0.462 nan 8.290 nan 0.000 0.521 575 F N 1.159 121.124 119.950 0.025 0.000 2.420 575 F HA 0.608 5.131 4.527 -0.007 0.000 0.342 575 F C 1.474 177.258 175.800 -0.026 0.000 1.113 575 F CA -0.891 57.110 58.000 0.002 0.000 1.059 575 F CB 1.534 40.524 39.000 -0.016 0.000 1.128 575 F HN -0.251 nan 8.300 nan 0.000 0.475 576 K N 1.700 122.212 120.400 0.187 0.000 2.155 576 K HA -0.064 4.251 4.320 -0.007 0.000 0.203 576 K C 0.826 177.640 176.600 0.356 0.000 1.052 576 K CA 0.960 57.394 56.287 0.246 0.000 0.948 576 K CB -0.131 32.523 32.500 0.257 0.000 0.728 576 K HN 0.658 nan 8.250 nan 0.000 0.448 577 N N -0.097 118.767 118.700 0.274 0.000 2.305 577 N HA 0.037 4.773 4.740 -0.007 0.000 0.248 577 N C -0.679 174.909 175.510 0.131 0.000 1.290 577 N CA -0.341 52.890 53.050 0.300 0.000 0.873 577 N CB -0.052 38.665 38.487 0.383 0.000 1.261 577 N HN -0.054 nan 8.380 nan 0.000 0.504 578 L N 0.631 121.724 121.223 -0.218 0.000 2.356 578 L HA 0.701 5.037 4.340 -0.007 0.000 0.277 578 L C -1.795 174.689 176.870 -0.643 0.000 0.996 578 L CA -0.606 54.076 54.840 -0.264 0.000 0.822 578 L CB 0.979 42.843 42.059 -0.324 0.000 1.256 578 L HN -0.022 nan 8.230 nan 0.000 0.413 579 F N 4.856 124.724 119.950 -0.137 0.000 2.563 579 F HA 0.663 5.185 4.527 -0.008 0.000 0.316 579 F C -0.620 175.032 175.800 -0.246 0.000 1.076 579 F CA -0.704 57.201 58.000 -0.158 0.000 0.921 579 F CB 1.896 40.838 39.000 -0.097 0.000 1.209 579 F HN 0.186 nan 8.300 nan 0.000 0.462 580 L N 1.914 123.098 121.223 -0.065 0.000 2.346 580 L HA 0.865 5.200 4.340 -0.007 0.000 0.276 580 L C 0.007 176.878 176.870 0.001 0.000 1.006 580 L CA -0.798 53.930 54.840 -0.188 0.000 0.817 580 L CB 1.913 43.711 42.059 -0.435 0.000 1.272 580 L HN 0.784 nan 8.230 nan 0.000 0.421 581 G N 0.441 109.250 108.800 0.014 0.000 2.524 581 G HA2 0.797 4.752 3.960 -0.007 0.000 0.310 581 G HA3 0.797 4.752 3.960 -0.007 0.000 0.310 581 G C -0.488 174.523 174.900 0.185 0.000 1.279 581 G CA -0.277 44.936 45.100 0.188 0.000 0.974 581 G HN 0.962 nan 8.290 nan 0.000 0.484 582 G N -1.177 107.730 108.800 0.179 0.000 2.343 582 G HA2 0.059 4.014 3.960 -0.007 0.000 0.465 582 G HA3 0.059 4.014 3.960 -0.007 0.000 0.465 582 G C 0.734 175.683 174.900 0.083 0.000 1.282 582 G CA 0.057 45.237 45.100 0.133 0.000 0.996 582 G HN 1.139 nan 8.290 nan 0.000 0.521 583 C N 0.629 119.954 119.300 0.042 0.000 2.419 583 C HA 0.211 4.666 4.460 -0.007 0.000 0.283 583 C C 2.993 177.959 174.990 -0.040 0.000 1.373 583 C CA 1.765 60.787 59.018 0.005 0.000 1.781 583 C CB -1.302 26.472 27.740 0.057 0.000 1.886 583 C HN 1.250 nan 8.230 nan 0.000 0.520 584 G N 1.122 109.812 108.800 -0.183 0.000 2.470 584 G HA2 -0.200 3.755 3.960 -0.007 0.000 0.220 584 G HA3 -0.200 3.755 3.960 -0.007 0.000 0.220 584 G C 1.413 175.963 174.900 -0.584 0.000 1.121 584 G CA 0.648 45.381 45.100 -0.611 0.000 0.766 584 G HN 0.550 nan 8.290 nan 0.000 0.553 585 N N 0.310 118.889 118.700 -0.201 0.000 2.396 585 N HA 0.029 4.764 4.740 -0.007 0.000 0.180 585 N C 0.835 176.358 175.510 0.022 0.000 1.028 585 N CA 0.170 53.234 53.050 0.024 0.000 0.893 585 N CB 0.102 38.651 38.487 0.103 0.000 0.967 585 N HN 0.304 nan 8.380 nan 0.000 0.440 586 I N 2.943 123.522 120.570 0.015 0.000 2.452 586 I HA 0.054 4.219 4.170 -0.007 0.000 0.287 586 I C -1.354 174.850 176.117 0.145 0.000 1.079 586 I CA -1.079 60.254 61.300 0.054 0.000 1.387 586 I CB 1.391 39.358 38.000 -0.056 0.000 1.404 586 I HN -0.080 nan 8.210 nan 0.000 0.522 587 P HA 0.063 nan 4.420 nan 0.000 0.264 587 P C 0.273 177.666 177.300 0.156 0.000 1.259 587 P CA 0.201 63.375 63.100 0.123 0.000 0.841 587 P CB 0.233 31.968 31.700 0.057 0.000 1.232 588 T N -2.126 112.553 114.554 0.208 0.000 2.881 588 T HA 0.666 5.011 4.350 -0.007 0.000 0.278 588 T C 0.241 175.083 174.700 0.238 0.000 0.982 588 T CA -0.836 61.378 62.100 0.190 0.000 0.989 588 T CB 1.172 70.130 68.868 0.150 0.000 1.058 588 T HN 0.060 nan 8.240 nan 0.000 0.529 589 A N 1.982 124.878 122.820 0.125 0.000 2.350 589 A HA 0.584 4.899 4.320 -0.007 0.000 0.293 589 A C -0.574 176.995 177.584 -0.025 0.000 1.231 589 A CA -0.840 51.223 52.037 0.042 0.000 0.883 589 A CB -0.977 18.066 19.000 0.072 0.000 1.133 589 A HN 0.876 nan 8.150 nan 0.000 0.533 590 Y N -0.187 120.041 120.300 -0.120 0.000 2.462 590 Y HA 0.709 5.254 4.550 -0.007 0.000 0.346 590 Y C 0.738 176.523 175.900 -0.192 0.000 0.976 590 Y CA -0.674 57.175 58.100 -0.419 0.000 1.044 590 Y CB 1.458 39.487 38.460 -0.718 0.000 1.230 590 Y HN 0.378 nan 8.280 nan 0.000 0.455 591 G N 0.896 109.620 108.800 -0.126 0.000 2.673 591 G HA2 0.370 4.326 3.960 -0.007 0.000 0.208 591 G HA3 0.370 4.326 3.960 -0.007 0.000 0.208 591 G C 0.507 175.491 174.900 0.141 0.000 1.128 591 G CA 0.184 45.398 45.100 0.190 0.000 0.805 591 G HN 0.955 nan 8.290 nan 0.000 0.526 592 A N 0.734 123.460 122.820 -0.156 0.000 2.386 592 A HA 0.455 4.771 4.320 -0.007 0.000 0.246 592 A C -0.064 177.422 177.584 -0.163 0.000 1.089 592 A CA -0.421 51.409 52.037 -0.345 0.000 0.790 592 A CB 0.018 18.802 19.000 -0.360 0.000 1.042 592 A HN 0.364 nan 8.150 nan 0.000 0.497 593 N N 1.700 120.186 118.700 -0.356 0.000 2.468 593 N HA 0.254 4.989 4.740 -0.007 0.000 0.265 593 N C -2.013 173.415 175.510 -0.138 0.000 1.199 593 N CA -0.979 51.855 53.050 -0.360 0.000 0.928 593 N CB 0.503 38.850 38.487 -0.232 0.000 1.059 593 N HN 0.404 nan 8.380 nan 0.000 0.467 594 P HA -0.023 nan 4.420 nan 0.000 0.240 594 P C 0.510 177.714 177.300 -0.160 0.000 1.190 594 P CA 0.712 63.716 63.100 -0.159 0.000 0.781 594 P CB 0.313 31.897 31.700 -0.193 0.000 0.931 595 T N 1.021 115.553 114.554 -0.036 0.000 2.746 595 T HA -0.141 4.205 4.350 -0.007 0.000 0.267 595 T C 1.791 176.577 174.700 0.144 0.000 1.039 595 T CA 1.020 63.158 62.100 0.063 0.000 1.142 595 T CB -0.837 68.099 68.868 0.112 0.000 0.866 595 T HN 0.020 nan 8.240 nan 0.000 0.444 596 L N 1.016 122.345 121.223 0.178 0.000 2.042 596 L HA -0.110 4.225 4.340 -0.007 0.000 0.210 596 L C 2.540 179.497 176.870 0.146 0.000 1.076 596 L CA 1.775 56.773 54.840 0.262 0.000 0.749 596 L CB -1.049 41.143 42.059 0.223 0.000 0.893 596 L HN 0.197 nan 8.230 nan 0.000 0.432 597 T N -0.393 114.120 114.554 -0.069 0.000 2.708 597 T HA -0.160 4.186 4.350 -0.007 0.000 0.266 597 T C 1.900 176.525 174.700 -0.125 0.000 1.037 597 T CA 1.317 63.282 62.100 -0.224 0.000 1.146 597 T CB -0.520 67.796 68.868 -0.921 0.000 0.865 597 T HN 0.525 nan 8.240 nan 0.000 0.435 598 A N 1.468 124.216 122.820 -0.120 0.000 1.902 598 A HA -0.079 4.237 4.320 -0.007 0.000 0.217 598 A C 2.314 179.871 177.584 -0.045 0.000 1.181 598 A CA 1.868 53.870 52.037 -0.058 0.000 0.623 598 A CB -0.740 18.242 19.000 -0.029 0.000 0.818 598 A HN 0.537 nan 8.150 nan 0.000 0.443 599 M N -0.255 119.329 119.600 -0.027 0.000 2.117 599 M HA -0.147 4.328 4.480 -0.007 0.000 0.262 599 M C 2.123 178.344 176.300 -0.131 0.000 1.065 599 M CA 2.136 57.393 55.300 -0.072 0.000 1.114 599 M CB -0.163 32.399 32.600 -0.062 0.000 1.361 599 M HN 0.375 nan 8.290 nan 0.000 0.408 600 S N 1.167 116.791 115.700 -0.126 0.000 2.370 600 S HA -0.131 4.335 4.470 -0.007 0.000 0.226 600 S C 1.762 176.173 174.600 -0.315 0.000 1.033 600 S CA 1.440 59.493 58.200 -0.244 0.000 1.011 600 S CB -0.564 62.439 63.200 -0.329 0.000 0.852 600 S HN 0.520 nan 8.310 nan 0.000 0.457 601 L N 1.078 122.154 121.223 -0.245 0.000 2.083 601 L HA -0.145 4.191 4.340 -0.007 0.000 0.209 601 L C 2.779 179.517 176.870 -0.220 0.000 1.083 601 L CA 1.170 55.867 54.840 -0.239 0.000 0.752 601 L CB -0.706 41.286 42.059 -0.112 0.000 0.899 601 L HN 0.334 nan 8.230 nan 0.000 0.433 602 A N 0.282 122.968 122.820 -0.222 0.000 1.930 602 A HA -0.160 4.156 4.320 -0.007 0.000 0.217 602 A C 2.211 179.472 177.584 -0.538 0.000 1.175 602 A CA 1.356 53.148 52.037 -0.408 0.000 0.627 602 A CB -0.585 18.189 19.000 -0.378 0.000 0.815 602 A HN 0.342 nan 8.150 nan 0.000 0.443 603 I N -0.462 119.891 120.570 -0.362 0.000 2.163 603 I HA -0.291 3.875 4.170 -0.007 0.000 0.243 603 I C 2.551 178.501 176.117 -0.279 0.000 1.085 603 I CA 1.945 63.065 61.300 -0.301 0.000 1.347 603 I CB -0.249 37.597 38.000 -0.256 0.000 1.044 603 I HN 0.378 nan 8.210 nan 0.000 0.408 604 K N 0.505 120.737 120.400 -0.280 0.000 2.063 604 K HA -0.230 4.085 4.320 -0.007 0.000 0.208 604 K C 2.359 178.867 176.600 -0.154 0.000 1.048 604 K CA 1.864 58.015 56.287 -0.226 0.000 0.928 604 K CB -0.135 32.195 32.500 -0.283 0.000 0.713 604 K HN 0.145 nan 8.250 nan 0.000 0.442 605 S N -0.023 115.566 115.700 -0.183 0.000 2.368 605 S HA -0.165 4.300 4.470 -0.007 0.000 0.225 605 S C 2.064 176.557 174.600 -0.178 0.000 1.030 605 S CA 1.461 59.594 58.200 -0.111 0.000 0.999 605 S CB -0.472 62.703 63.200 -0.042 0.000 0.844 605 S HN 0.570 nan 8.310 nan 0.000 0.459 606 C N 1.481 120.587 119.300 -0.323 0.000 2.422 606 C HA -0.005 4.451 4.460 -0.007 0.000 0.279 606 C C 2.518 177.423 174.990 -0.143 0.000 1.305 606 C CA 0.766 59.616 59.018 -0.280 0.000 1.757 606 C CB -1.482 26.054 27.740 -0.340 0.000 1.962 606 C HN 0.684 nan 8.230 nan 0.000 0.499 607 E N -0.547 119.591 120.200 -0.104 0.000 2.051 607 E HA -0.262 4.084 4.350 -0.007 0.000 0.192 607 E C 1.867 178.470 176.600 0.006 0.000 0.991 607 E CA 1.558 57.931 56.400 -0.045 0.000 0.799 607 E CB -0.349 29.319 29.700 -0.054 0.000 0.748 607 E HN 0.813 nan 8.360 nan 0.000 0.449 608 Y N 1.319 121.583 120.300 -0.059 0.000 2.128 608 Y HA -0.248 4.298 4.550 -0.007 0.000 0.284 608 Y C 1.980 177.914 175.900 0.057 0.000 1.154 608 Y CA 1.574 59.682 58.100 0.014 0.000 1.149 608 Y CB -0.125 38.377 38.460 0.071 0.000 0.976 608 Y HN -0.038 nan 8.280 nan 0.000 0.505 609 I N 0.174 120.767 120.570 0.039 0.000 2.179 609 I HA -0.340 3.826 4.170 -0.007 0.000 0.242 609 I C 2.306 178.487 176.117 0.107 0.000 1.088 609 I CA 1.710 63.033 61.300 0.037 0.000 1.357 609 I CB -0.413 37.403 38.000 -0.307 0.000 1.051 609 I HN 0.158 nan 8.210 nan 0.000 0.409 610 K N 0.408 120.837 120.400 0.049 0.000 2.147 610 K HA -0.209 4.107 4.320 -0.007 0.000 0.205 610 K C 2.033 178.669 176.600 0.061 0.000 1.049 610 K CA 1.264 57.641 56.287 0.151 0.000 0.936 610 K CB -0.130 32.430 32.500 0.099 0.000 0.722 610 K HN 0.419 nan 8.250 nan 0.000 0.446 611 Q N -0.166 119.600 119.800 -0.058 0.000 2.435 611 Q HA 0.022 4.357 4.340 -0.007 0.000 0.207 611 Q C 0.935 176.814 176.000 -0.201 0.000 0.956 611 Q CA 0.649 56.376 55.803 -0.128 0.000 0.917 611 Q CB 0.338 28.972 28.738 -0.173 0.000 0.997 611 Q HN 0.275 nan 8.270 nan 0.000 0.497 612 N N -1.299 117.261 118.700 -0.234 0.000 2.113 612 N HA 0.145 4.880 4.740 -0.007 0.000 0.223 612 N C -1.021 174.125 175.510 -0.608 0.000 1.310 612 N CA 0.193 52.978 53.050 -0.442 0.000 0.896 612 N CB 1.097 39.160 38.487 -0.708 0.000 1.097 612 N HN 0.000 nan 8.380 nan 0.000 0.507 613 F N 0.761 120.736 119.950 0.042 0.000 2.556 613 F HA 0.342 4.865 4.527 -0.007 0.000 0.314 613 F C 0.153 176.062 175.800 0.183 0.000 1.106 613 F CA -0.619 57.463 58.000 0.136 0.000 0.911 613 F CB 1.858 40.965 39.000 0.178 0.000 1.190 613 F HN -0.371 nan 8.300 nan 0.000 0.448 614 T N 4.246 118.947 114.554 0.246 0.000 2.771 614 T HA 0.382 4.728 4.350 -0.007 0.000 0.291 614 T C -2.446 172.277 174.700 0.039 0.000 0.954 614 T CA -1.324 60.827 62.100 0.085 0.000 1.045 614 T CB 0.913 69.801 68.868 0.033 0.000 0.917 614 T HN 0.141 nan 8.240 nan 0.000 0.484 615 P HA 0.142 nan 4.420 nan 0.000 0.268 615 P C -0.081 177.172 177.300 -0.079 0.000 1.208 615 P CA -0.463 62.454 63.100 -0.305 0.000 0.777 615 P CB 0.316 31.678 31.700 -0.565 0.000 0.875 616 S N 1.976 117.669 115.700 -0.011 0.000 2.585 616 S HA 0.348 4.814 4.470 -0.007 0.000 0.273 616 S C -2.296 172.307 174.600 0.004 0.000 1.339 616 S CA -1.140 57.063 58.200 0.005 0.000 1.028 616 S CB -0.744 62.461 63.200 0.009 0.000 0.906 616 S HN 0.242 nan 8.310 nan 0.000 0.528 617 P HA 0.081 nan 4.420 nan 0.000 0.262 617 P C -0.599 176.743 177.300 0.069 0.000 1.182 617 P CA -0.094 63.031 63.100 0.043 0.000 0.761 617 P CB -0.001 31.716 31.700 0.028 0.000 0.795 618 F N 4.212 124.147 119.950 -0.024 0.000 2.519 618 F HA 0.158 4.680 4.527 -0.008 0.000 0.375 618 F C 0.244 176.036 175.800 -0.013 0.000 1.084 618 F CA 1.331 59.322 58.000 -0.015 0.000 1.147 618 F CB 0.014 39.006 39.000 -0.013 0.000 1.088 618 F HN 0.249 nan 8.300 nan 0.000 0.555 619 T N 0.000 114.369 114.554 -0.308 0.000 3.816 619 T HA 0.000 4.346 4.350 -0.007 0.000 0.228 619 T CA 0.000 61.999 62.100 -0.168 0.000 1.349 619 T CB 0.000 68.822 68.868 -0.077 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658