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 3bg7_1_F 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 LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSGPQFME 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 0.000 176.213 176.300 -0.145 0.000 1.140 43 M CA 0.000 55.195 55.300 -0.175 0.000 0.988 43 M CB 0.000 32.382 32.600 -0.363 0.000 1.302 44 D N 0.980 121.348 120.400 -0.053 0.000 2.364 44 D HA 0.300 4.940 4.640 -0.000 0.000 0.236 44 D C 1.268 177.506 176.300 -0.103 0.000 1.221 44 D CA 0.459 54.382 54.000 -0.127 0.000 0.891 44 D CB 0.805 41.415 40.800 -0.316 0.000 1.190 44 D HN 0.629 nan 8.370 nan 0.000 0.449 45 I N -2.143 118.355 120.570 -0.120 0.000 4.240 45 I HA 0.304 4.474 4.170 -0.000 0.000 0.331 45 I C 0.062 176.158 176.117 -0.034 0.000 1.381 45 I CA -0.305 60.993 61.300 -0.003 0.000 1.136 45 I CB 0.299 38.312 38.000 0.022 0.000 1.137 45 I HN -0.036 nan 8.210 nan 0.000 0.411 46 K N 1.119 121.345 120.400 -0.291 0.000 2.394 46 K HA 0.597 4.917 4.320 -0.000 0.000 0.260 46 K C -1.782 174.465 176.600 -0.588 0.000 0.967 46 K CA -0.338 55.788 56.287 -0.268 0.000 0.855 46 K CB 0.782 33.187 32.500 -0.157 0.000 1.101 46 K HN 0.158 nan 8.250 nan 0.000 0.433 47 Y N 1.229 121.514 120.300 -0.024 0.000 2.602 47 Y HA 0.258 4.808 4.550 0.000 0.000 0.342 47 Y C 0.696 176.561 175.900 -0.058 0.000 1.029 47 Y CA -0.822 57.253 58.100 -0.041 0.000 1.080 47 Y CB 1.754 40.191 38.460 -0.040 0.000 1.284 47 Y HN 0.595 nan 8.280 nan 0.000 0.485 48 D N 0.152 120.624 120.400 0.120 0.000 2.085 48 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 48 D C -0.209 176.069 176.300 -0.038 0.000 0.981 48 D CA 1.503 55.552 54.000 0.081 0.000 0.834 48 D CB 0.159 41.079 40.800 0.201 0.000 0.992 48 D HN 0.121 nan 8.370 nan 0.000 0.457 49 V N 1.399 121.285 119.914 -0.046 0.000 2.604 49 V HA 0.388 4.508 4.120 -0.000 0.000 0.305 49 V C -0.127 175.878 176.094 -0.149 0.000 1.043 49 V CA -1.002 61.187 62.300 -0.186 0.000 0.888 49 V CB 2.318 34.007 31.823 -0.225 0.000 0.995 49 V HN 0.028 nan 8.190 nan 0.000 0.429 50 V N 3.057 122.852 119.914 -0.198 0.000 2.555 50 V HA 0.753 4.873 4.120 -0.000 0.000 0.302 50 V C -0.655 175.401 176.094 -0.064 0.000 1.038 50 V CA -0.573 61.675 62.300 -0.087 0.000 0.887 50 V CB 1.631 33.486 31.823 0.052 0.000 0.991 50 V HN 0.689 nan 8.190 nan 0.000 0.434 51 I N 4.306 124.854 120.570 -0.037 0.000 2.465 51 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 51 I C -0.566 175.575 176.117 0.039 0.000 1.014 51 I CA -0.955 60.306 61.300 -0.064 0.000 1.093 51 I CB 2.315 40.257 38.000 -0.096 0.000 1.267 51 I HN 0.463 nan 8.210 nan 0.000 0.431 52 V N 5.390 125.310 119.914 0.010 0.000 2.348 52 V HA 0.782 4.902 4.120 -0.000 0.000 0.270 52 V C 0.465 176.562 176.094 0.006 0.000 1.037 52 V CA -0.328 61.999 62.300 0.044 0.000 0.872 52 V CB 0.457 32.282 31.823 0.003 0.000 1.002 52 V HN 1.063 nan 8.190 nan 0.000 0.464 53 G N 3.948 112.767 108.800 0.031 0.000 3.067 53 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 53 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 53 G C -0.083 174.829 174.900 0.020 0.000 1.119 53 G CA -0.293 44.817 45.100 0.017 0.000 0.790 53 G HN 1.308 nan 8.290 nan 0.000 0.605 54 S N 1.197 116.913 115.700 0.026 0.000 2.506 54 S HA 0.615 5.085 4.470 -0.000 0.000 0.245 54 S C 1.258 175.867 174.600 0.016 0.000 1.088 54 S CA 0.613 58.834 58.200 0.036 0.000 1.099 54 S CB 0.676 63.910 63.200 0.057 0.000 0.805 54 S HN 1.864 nan 8.310 nan 0.000 0.461 55 G N 2.568 111.368 108.800 -0.001 0.000 2.553 55 G HA2 0.415 4.375 3.960 -0.000 0.000 0.278 55 G HA3 0.415 4.375 3.960 -0.000 0.000 0.278 55 G C -1.242 173.637 174.900 -0.035 0.000 1.349 55 G CA -1.441 43.642 45.100 -0.029 0.000 1.037 55 G HN 0.264 nan 8.290 nan 0.000 0.508 56 P HA -0.041 nan 4.420 nan 0.000 0.223 56 P C 1.676 178.926 177.300 -0.084 0.000 1.151 56 P CA 0.642 63.699 63.100 -0.072 0.000 0.787 56 P CB 0.221 31.900 31.700 -0.035 0.000 0.788 57 I N 0.111 120.662 120.570 -0.031 0.000 2.333 57 I HA -0.027 4.143 4.170 -0.000 0.000 0.246 57 I C 2.688 178.869 176.117 0.108 0.000 1.106 57 I CA 1.448 62.762 61.300 0.023 0.000 1.411 57 I CB -2.199 35.838 38.000 0.063 0.000 1.082 57 I HN -0.003 nan 8.210 nan 0.000 0.420 58 G N 0.590 109.427 108.800 0.062 0.000 2.476 58 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 58 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 58 G C 1.774 176.676 174.900 0.003 0.000 1.164 58 G CA 1.216 46.340 45.100 0.041 0.000 0.768 58 G HN 0.414 nan 8.290 nan 0.000 0.560 59 C N 0.519 119.796 119.300 -0.039 0.000 2.432 59 C HA 0.034 4.494 4.460 -0.000 0.000 0.280 59 C C 3.186 178.056 174.990 -0.200 0.000 1.353 59 C CA 1.354 60.306 59.018 -0.110 0.000 1.766 59 C CB -1.032 26.692 27.740 -0.026 0.000 1.924 59 C HN 0.466 nan 8.230 nan 0.000 0.509 60 T N 0.023 114.486 114.554 -0.150 0.000 2.701 60 T HA -0.152 4.198 4.350 -0.000 0.000 0.263 60 T C 1.478 176.034 174.700 -0.241 0.000 1.040 60 T CA 1.585 63.569 62.100 -0.194 0.000 1.147 60 T CB -0.436 68.332 68.868 -0.166 0.000 0.865 60 T HN 0.539 nan 8.240 nan 0.000 0.426 61 Y N 1.631 121.802 120.300 -0.215 0.000 2.114 61 Y HA -0.133 4.417 4.550 0.000 0.000 0.282 61 Y C 2.755 178.451 175.900 -0.340 0.000 1.165 61 Y CA 1.102 59.054 58.100 -0.247 0.000 1.148 61 Y CB -0.776 37.554 38.460 -0.217 0.000 0.972 61 Y HN 0.204 nan 8.280 nan 0.000 0.504 62 A N 0.175 122.817 122.820 -0.296 0.000 1.845 62 A HA -0.259 4.061 4.320 -0.000 0.000 0.215 62 A C 2.248 179.301 177.584 -0.885 0.000 1.195 62 A CA 1.986 53.608 52.037 -0.692 0.000 0.616 62 A CB -0.903 17.427 19.000 -1.117 0.000 0.832 62 A HN 0.443 nan 8.150 nan 0.000 0.443 63 R N -0.354 119.657 120.500 -0.815 0.000 2.113 63 R HA -0.203 4.137 4.340 -0.000 0.000 0.244 63 R C 2.041 178.150 176.300 -0.318 0.000 1.142 63 R CA 2.043 57.842 56.100 -0.502 0.000 0.953 63 R CB -0.293 29.723 30.300 -0.472 0.000 0.860 63 R HN 0.574 nan 8.270 nan 0.000 0.438 64 E N 0.120 120.162 120.200 -0.262 0.000 2.106 64 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 64 E C 2.065 178.606 176.600 -0.099 0.000 0.984 64 E CA 1.194 57.511 56.400 -0.139 0.000 0.806 64 E CB 0.050 29.661 29.700 -0.148 0.000 0.750 64 E HN 0.471 nan 8.360 nan 0.000 0.458 65 L N -0.089 121.047 121.223 -0.145 0.000 2.316 65 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 65 L C 2.451 179.361 176.870 0.065 0.000 1.070 65 L CA 0.141 54.943 54.840 -0.063 0.000 0.820 65 L CB -0.139 41.782 42.059 -0.229 0.000 0.992 65 L HN -0.079 nan 8.230 nan 0.000 0.466 66 V N 0.705 120.572 119.914 -0.079 0.000 2.287 66 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 66 V C 2.542 178.658 176.094 0.037 0.000 1.053 66 V CA 2.183 64.473 62.300 -0.016 0.000 1.027 66 V CB -1.179 30.570 31.823 -0.125 0.000 0.646 66 V HN 0.573 nan 8.190 nan 0.000 0.447 67 G N -0.909 107.894 108.800 0.006 0.000 2.509 67 G HA2 0.007 3.967 3.960 -0.000 0.000 0.218 67 G HA3 0.007 3.967 3.960 -0.000 0.000 0.218 67 G C 1.291 176.217 174.900 0.044 0.000 1.124 67 G CA 0.729 45.846 45.100 0.028 0.000 0.776 67 G HN 0.636 nan 8.290 nan 0.000 0.547 68 A N -0.564 122.306 122.820 0.083 0.000 2.379 68 A HA 0.530 4.850 4.320 -0.000 0.000 0.236 68 A C 1.799 179.380 177.584 -0.005 0.000 1.272 68 A CA 1.023 53.113 52.037 0.090 0.000 0.886 68 A CB -0.270 18.855 19.000 0.207 0.000 0.962 68 A HN 1.413 nan 8.150 nan 0.000 0.504 69 G N -1.890 106.909 108.800 -0.001 0.000 2.175 69 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 69 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 69 G C -0.017 174.782 174.900 -0.168 0.000 0.982 69 G CA 0.135 45.182 45.100 -0.088 0.000 0.641 69 G HN 0.414 nan 8.290 nan 0.000 0.527 70 Y N 0.684 120.964 120.300 -0.034 0.000 2.336 70 Y HA 0.428 4.978 4.550 0.000 0.000 0.331 70 Y C 1.101 176.968 175.900 -0.054 0.000 1.211 70 Y CA 0.200 58.275 58.100 -0.041 0.000 1.346 70 Y CB 0.754 39.188 38.460 -0.044 0.000 1.271 70 Y HN 0.079 nan 8.280 nan 0.000 0.538 71 K N 3.044 123.497 120.400 0.088 0.000 2.284 71 K HA 0.427 4.747 4.320 -0.000 0.000 0.287 71 K C -1.552 175.132 176.600 0.140 0.000 1.081 71 K CA -0.178 56.141 56.287 0.054 0.000 0.910 71 K CB 0.150 32.647 32.500 -0.004 0.000 1.088 71 K HN 0.499 nan 8.250 nan 0.000 0.478 72 V N 3.002 122.980 119.914 0.107 0.000 2.628 72 V HA 0.642 4.762 4.120 -0.000 0.000 0.306 72 V C -0.342 175.621 176.094 -0.218 0.000 1.045 72 V CA -0.940 61.373 62.300 0.021 0.000 0.905 72 V CB 1.503 33.393 31.823 0.111 0.000 0.997 72 V HN 0.906 nan 8.190 nan 0.000 0.436 73 A N 5.151 127.699 122.820 -0.454 0.000 2.374 73 A HA 0.952 5.272 4.320 -0.000 0.000 0.317 73 A C -0.752 176.443 177.584 -0.649 0.000 1.094 73 A CA -0.649 50.892 52.037 -0.827 0.000 0.765 73 A CB 1.734 19.922 19.000 -1.353 0.000 1.268 73 A HN 0.920 nan 8.150 nan 0.000 0.438 74 M N 2.128 121.250 119.600 -0.796 0.000 2.326 74 M HA 0.725 5.205 4.480 -0.000 0.000 0.306 74 M C -2.177 173.764 176.300 -0.598 0.000 1.054 74 M CA -0.395 54.639 55.300 -0.444 0.000 0.922 74 M CB 1.122 33.657 32.600 -0.108 0.000 1.632 74 M HN 0.588 nan 8.290 nan 0.000 0.436 75 F N 2.502 122.439 119.950 -0.022 0.000 2.469 75 F HA 0.552 5.079 4.527 -0.000 0.000 0.332 75 F C -0.046 175.749 175.800 -0.008 0.000 1.103 75 F CA -0.458 57.549 58.000 0.011 0.000 0.979 75 F CB 1.363 40.348 39.000 -0.025 0.000 1.137 75 F HN 0.463 nan 8.300 nan 0.000 0.463 76 D N 2.892 123.378 120.400 0.144 0.000 2.738 76 D HA 0.234 4.874 4.640 -0.000 0.000 0.237 76 D C 0.512 176.840 176.300 0.047 0.000 1.123 76 D CA -0.354 53.688 54.000 0.070 0.000 0.856 76 D CB 2.497 43.321 40.800 0.040 0.000 1.552 76 D HN 0.654 nan 8.370 nan 0.000 0.480 77 I N 1.823 122.378 120.570 -0.025 0.000 2.676 77 I HA 0.056 4.226 4.170 -0.000 0.000 0.259 77 I C 1.071 177.167 176.117 -0.035 0.000 1.194 77 I CA 0.660 61.912 61.300 -0.080 0.000 1.473 77 I CB 0.150 37.993 38.000 -0.261 0.000 1.096 77 I HN 0.318 nan 8.210 nan 0.000 0.443 78 G N 0.082 108.873 108.800 -0.014 0.000 2.537 78 G HA2 0.397 4.357 3.960 -0.000 0.000 0.297 78 G HA3 0.397 4.357 3.960 -0.000 0.000 0.297 78 G C -0.848 174.074 174.900 0.037 0.000 1.310 78 G CA -0.430 44.681 45.100 0.019 0.000 1.027 78 G HN 0.313 nan 8.290 nan 0.000 0.505 79 E N -1.436 118.790 120.200 0.044 0.000 2.299 79 E HA 0.397 4.747 4.350 -0.000 0.000 0.260 79 E C -0.553 176.073 176.600 0.043 0.000 0.944 79 E CA -0.764 55.663 56.400 0.044 0.000 0.815 79 E CB 2.452 32.180 29.700 0.047 0.000 1.252 79 E HN 0.271 nan 8.360 nan 0.000 0.418 80 I N 2.401 122.995 120.570 0.040 0.000 2.452 80 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 80 I C 0.154 176.300 176.117 0.049 0.000 1.079 80 I CA 0.570 61.896 61.300 0.042 0.000 1.387 80 I CB 0.209 38.228 38.000 0.033 0.000 1.404 80 I HN 0.604 nan 8.210 nan 0.000 0.522 81 D N 1.633 122.069 120.400 0.060 0.000 2.480 81 D HA -0.038 4.602 4.640 -0.000 0.000 0.276 81 D C 0.826 177.180 176.300 0.090 0.000 1.294 81 D CA -0.090 53.951 54.000 0.069 0.000 0.829 81 D CB -0.065 40.775 40.800 0.066 0.000 1.242 81 D HN 0.243 nan 8.370 nan 0.000 0.513 82 S N 0.295 116.054 115.700 0.098 0.000 2.720 82 S HA 0.518 4.988 4.470 -0.000 0.000 0.222 82 S C 1.145 175.819 174.600 0.123 0.000 0.958 82 S CA 0.445 58.721 58.200 0.128 0.000 0.943 82 S CB -0.221 63.057 63.200 0.129 0.000 0.779 82 S HN 0.848 nan 8.310 nan 0.000 0.526 83 G N 0.974 109.832 108.800 0.098 0.000 2.627 83 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.214 83 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.214 83 G C 0.250 175.189 174.900 0.065 0.000 1.331 83 G CA -0.365 44.786 45.100 0.085 0.000 0.891 83 G HN 0.262 nan 8.290 nan 0.000 0.539 84 L N 0.125 121.381 121.223 0.055 0.000 2.395 84 L HA 0.132 4.472 4.340 -0.000 0.000 0.218 84 L C 1.499 178.387 176.870 0.029 0.000 1.130 84 L CA 0.858 55.719 54.840 0.035 0.000 0.826 84 L CB -0.282 41.793 42.059 0.027 0.000 0.941 84 L HN 0.322 nan 8.230 nan 0.000 0.451 85 K N 1.709 122.136 120.400 0.044 0.000 2.262 85 K HA 0.303 4.623 4.320 -0.000 0.000 0.288 85 K C -0.337 176.290 176.600 0.045 0.000 1.090 85 K CA -0.161 56.148 56.287 0.038 0.000 0.918 85 K CB 0.637 33.173 32.500 0.060 0.000 1.139 85 K HN 0.081 nan 8.250 nan 0.000 0.462 86 I N 2.000 122.581 120.570 0.018 0.000 2.533 86 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 86 I C 1.334 177.471 176.117 0.035 0.000 1.109 86 I CA 0.624 61.939 61.300 0.025 0.000 1.412 86 I CB 0.596 38.600 38.000 0.007 0.000 1.396 86 I HN 0.932 nan 8.210 nan 0.000 0.543 87 G N 4.265 113.099 108.800 0.055 0.000 2.143 87 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.248 87 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.248 87 G C 0.307 175.261 174.900 0.091 0.000 0.991 87 G CA 0.023 45.160 45.100 0.061 0.000 0.689 87 G HN 0.965 nan 8.290 nan 0.000 0.522 88 A N -0.298 122.593 122.820 0.117 0.000 2.287 88 A HA 0.602 4.922 4.320 -0.000 0.000 0.273 88 A C 0.597 178.319 177.584 0.230 0.000 1.091 88 A CA -0.275 51.870 52.037 0.179 0.000 0.817 88 A CB 0.268 19.373 19.000 0.174 0.000 1.069 88 A HN 0.664 nan 8.150 nan 0.000 0.492 89 H N 0.778 119.989 119.070 0.235 0.000 2.975 89 H HA 0.082 4.638 4.556 -0.000 0.000 0.303 89 H C 0.809 176.275 175.328 0.230 0.000 1.023 89 H CA 0.680 56.887 56.048 0.265 0.000 1.473 89 H CB 0.722 30.664 29.762 0.300 0.000 1.498 89 H HN 0.684 nan 8.280 nan 0.000 0.549 90 K N 3.570 124.226 120.400 0.426 0.000 2.442 90 K HA -0.137 4.183 4.320 -0.000 0.000 0.198 90 K C 1.570 178.416 176.600 0.411 0.000 1.044 90 K CA 0.855 57.414 56.287 0.453 0.000 0.948 90 K CB 0.339 33.118 32.500 0.464 0.000 0.762 90 K HN 0.418 nan 8.250 nan 0.000 0.472 91 K N 0.878 121.388 120.400 0.182 0.000 2.444 91 K HA 0.027 4.347 4.320 -0.000 0.000 0.193 91 K C 0.626 177.186 176.600 -0.067 0.000 1.024 91 K CA 0.256 56.283 56.287 -0.433 0.000 1.077 91 K CB 0.298 32.080 32.500 -1.197 0.000 0.833 91 K HN -0.024 nan 8.250 nan 0.000 0.517 92 N N 1.405 120.187 118.700 0.137 0.000 2.370 92 N HA -0.036 4.704 4.740 -0.000 0.000 0.198 92 N C -0.300 175.371 175.510 0.268 0.000 1.156 92 N CA 0.409 53.552 53.050 0.154 0.000 0.839 92 N CB 0.463 39.118 38.487 0.280 0.000 0.989 92 N HN 0.319 nan 8.380 nan 0.000 0.468 93 T N -3.128 111.586 114.554 0.267 0.000 2.904 93 T HA 0.228 4.578 4.350 -0.000 0.000 0.290 93 T C 1.740 176.569 174.700 0.215 0.000 1.018 93 T CA -0.691 61.562 62.100 0.254 0.000 1.075 93 T CB 1.487 70.483 68.868 0.213 0.000 0.986 93 T HN -0.208 nan 8.240 nan 0.000 0.523 94 V N 1.521 121.568 119.914 0.221 0.000 2.332 94 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 94 V C 2.936 179.068 176.094 0.063 0.000 1.055 94 V CA 1.819 64.230 62.300 0.186 0.000 1.038 94 V CB -0.860 31.053 31.823 0.150 0.000 0.651 94 V HN 0.880 nan 8.190 nan 0.000 0.450 95 E N -0.392 119.790 120.200 -0.030 0.000 2.058 95 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 95 E C 2.109 178.616 176.600 -0.156 0.000 0.997 95 E CA 1.743 58.050 56.400 -0.154 0.000 0.801 95 E CB -0.311 29.187 29.700 -0.338 0.000 0.746 95 E HN 0.746 nan 8.360 nan 0.000 0.450 96 Y N 0.972 121.310 120.300 0.063 0.000 2.457 96 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 96 Y C 2.408 178.283 175.900 -0.042 0.000 1.125 96 Y CA 0.558 58.675 58.100 0.028 0.000 1.254 96 Y CB -0.060 38.408 38.460 0.014 0.000 1.012 96 Y HN 0.032 nan 8.280 nan 0.000 0.555 97 Q N 0.354 120.194 119.800 0.067 0.000 2.119 97 Q HA -0.142 4.198 4.340 -0.000 0.000 0.201 97 Q C 1.791 177.813 176.000 0.037 0.000 0.972 97 Q CA 1.170 56.964 55.803 -0.015 0.000 0.847 97 Q CB -0.162 28.506 28.738 -0.117 0.000 0.903 97 Q HN 0.449 nan 8.270 nan 0.000 0.433 98 K N 0.345 120.775 120.400 0.049 0.000 2.296 98 K HA 0.019 4.339 4.320 -0.000 0.000 0.200 98 K C 0.221 176.852 176.600 0.053 0.000 1.048 98 K CA 0.423 56.736 56.287 0.043 0.000 0.966 98 K CB 0.408 32.924 32.500 0.028 0.000 0.754 98 K HN 0.063 nan 8.250 nan 0.000 0.466 99 N N 0.842 119.594 118.700 0.088 0.000 2.687 99 N HA 0.061 4.801 4.740 -0.000 0.000 0.275 99 N C 0.298 175.935 175.510 0.212 0.000 1.789 99 N CA -0.017 53.105 53.050 0.121 0.000 0.806 99 N CB 0.735 39.281 38.487 0.099 0.000 1.256 99 N HN 0.050 nan 8.380 nan 0.000 0.500 100 I N 0.253 120.919 120.570 0.161 0.000 2.145 100 I HA -0.317 3.853 4.170 -0.000 0.000 0.244 100 I C 1.021 177.265 176.117 0.211 0.000 1.075 100 I CA 1.861 63.252 61.300 0.151 0.000 1.332 100 I CB 0.387 38.439 38.000 0.087 0.000 1.033 100 I HN 0.078 nan 8.210 nan 0.000 0.410 101 D N 0.824 121.348 120.400 0.206 0.000 2.310 101 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 101 D C 2.000 178.415 176.300 0.193 0.000 0.965 101 D CA 0.657 54.791 54.000 0.225 0.000 0.879 101 D CB -0.100 40.868 40.800 0.280 0.000 0.921 101 D HN 0.333 nan 8.370 nan 0.000 0.510 102 K N -0.050 120.491 120.400 0.236 0.000 2.288 102 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 102 K C 1.734 178.470 176.600 0.227 0.000 1.048 102 K CA -0.003 56.432 56.287 0.247 0.000 0.956 102 K CB -0.441 32.262 32.500 0.339 0.000 0.746 102 K HN 0.208 nan 8.250 nan 0.000 0.461 103 F N 1.617 121.573 119.950 0.011 0.000 2.269 103 F HA -0.197 4.330 4.527 0.000 0.000 0.301 103 F C 1.860 177.556 175.800 -0.175 0.000 1.082 103 F CA 0.626 58.471 58.000 -0.258 0.000 1.360 103 F CB -0.153 38.655 39.000 -0.320 0.000 1.041 103 F HN -0.280 nan 8.300 nan 0.000 0.512 104 V N 0.385 120.237 119.914 -0.103 0.000 2.317 104 V HA -0.410 3.710 4.120 -0.000 0.000 0.251 104 V C 1.901 177.823 176.094 -0.287 0.000 1.065 104 V CA 2.458 64.636 62.300 -0.203 0.000 1.049 104 V CB -1.187 30.530 31.823 -0.178 0.000 0.651 104 V HN 0.388 nan 8.190 nan 0.000 0.450 105 N N 0.095 118.662 118.700 -0.223 0.000 2.120 105 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 105 N C 1.693 177.035 175.510 -0.281 0.000 1.024 105 N CA 1.446 54.379 53.050 -0.195 0.000 0.852 105 N CB -0.369 38.066 38.487 -0.085 0.000 1.003 105 N HN 0.351 nan 8.380 nan 0.000 0.424 106 V N 1.416 121.059 119.914 -0.452 0.000 2.287 106 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 106 V C 2.067 177.826 176.094 -0.558 0.000 1.053 106 V CA 1.496 63.469 62.300 -0.544 0.000 1.027 106 V CB -0.582 30.692 31.823 -0.915 0.000 0.646 106 V HN 0.312 nan 8.190 nan 0.000 0.447 107 I N -0.384 119.753 120.570 -0.723 0.000 2.127 107 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 107 I C 2.736 178.583 176.117 -0.450 0.000 1.075 107 I CA 1.820 62.721 61.300 -0.666 0.000 1.334 107 I CB -0.478 37.175 38.000 -0.580 0.000 1.040 107 I HN 0.342 nan 8.210 nan 0.000 0.405 108 Q N 0.424 120.023 119.800 -0.335 0.000 2.135 108 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 108 Q C 2.291 178.189 176.000 -0.170 0.000 0.981 108 Q CA 1.598 57.266 55.803 -0.226 0.000 0.856 108 Q CB -0.428 28.194 28.738 -0.193 0.000 0.902 108 Q HN 0.663 nan 8.270 nan 0.000 0.425 109 G N 1.042 109.740 108.800 -0.169 0.000 2.509 109 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 109 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 109 G C 0.949 175.802 174.900 -0.079 0.000 1.124 109 G CA 0.735 45.772 45.100 -0.105 0.000 0.776 109 G HN 0.484 nan 8.290 nan 0.000 0.547 110 Q N -0.607 119.127 119.800 -0.110 0.000 2.165 110 Q HA 0.487 4.827 4.340 -0.000 0.000 0.245 110 Q C -0.387 175.598 176.000 -0.026 0.000 0.841 110 Q CA -0.308 55.470 55.803 -0.043 0.000 1.078 110 Q CB 0.158 28.895 28.738 -0.003 0.000 1.169 110 Q HN 0.243 nan 8.270 nan 0.000 0.475 111 L N 1.874 123.062 121.223 -0.059 0.000 2.325 111 L HA 0.577 4.917 4.340 -0.000 0.000 0.281 111 L C -0.612 176.259 176.870 0.002 0.000 1.004 111 L CA -0.771 54.056 54.840 -0.020 0.000 0.823 111 L CB 1.791 43.810 42.059 -0.067 0.000 1.236 111 L HN 0.259 nan 8.230 nan 0.000 0.415 112 M N 2.121 121.747 119.600 0.043 0.000 2.181 112 M HA 0.316 4.796 4.480 -0.000 0.000 0.323 112 M C -0.115 176.221 176.300 0.060 0.000 1.004 112 M CA -0.474 54.858 55.300 0.053 0.000 0.941 112 M CB 1.534 34.188 32.600 0.089 0.000 1.579 112 M HN 0.397 nan 8.290 nan 0.000 0.427 113 S N 1.884 117.606 115.700 0.037 0.000 2.563 113 S HA 0.080 4.550 4.470 -0.000 0.000 0.294 113 S C 1.647 176.284 174.600 0.061 0.000 1.279 113 S CA -0.399 57.824 58.200 0.038 0.000 1.069 113 S CB 0.673 63.882 63.200 0.016 0.000 0.828 113 S HN 0.530 nan 8.310 nan 0.000 0.497 114 V N 2.761 122.723 119.914 0.081 0.000 2.307 114 V HA -0.010 4.110 4.120 -0.000 0.000 0.245 114 V C 1.228 177.338 176.094 0.026 0.000 1.045 114 V CA 1.496 63.839 62.300 0.071 0.000 1.024 114 V CB -0.025 31.879 31.823 0.136 0.000 0.651 114 V HN 0.799 nan 8.190 nan 0.000 0.449 115 S N -0.517 115.218 115.700 0.057 0.000 2.737 115 S HA 0.477 4.947 4.470 -0.000 0.000 0.269 115 S C -1.130 173.480 174.600 0.016 0.000 1.150 115 S CA -0.456 57.746 58.200 0.003 0.000 1.077 115 S CB 1.361 64.544 63.200 -0.028 0.000 1.075 115 S HN 0.000 nan 8.310 nan 0.000 0.476 116 V N 7.855 127.764 119.914 -0.009 0.000 2.347 116 V HA 0.538 4.658 4.120 -0.000 0.000 0.280 116 V C -1.911 174.167 176.094 -0.026 0.000 1.021 116 V CA -1.752 60.539 62.300 -0.015 0.000 0.847 116 V CB 1.384 33.197 31.823 -0.017 0.000 0.990 116 V HN 0.685 nan 8.190 nan 0.000 0.444 117 P HA 0.164 nan 4.420 nan 0.000 0.274 117 P C -0.138 177.137 177.300 -0.042 0.000 1.246 117 P CA -0.149 62.932 63.100 -0.032 0.000 0.795 117 P CB 0.868 32.549 31.700 -0.031 0.000 1.006 118 V N 2.185 122.076 119.914 -0.039 0.000 2.673 118 V HA -0.043 4.077 4.120 -0.000 0.000 0.303 118 V C 1.278 177.317 176.094 -0.091 0.000 1.046 118 V CA 0.232 62.503 62.300 -0.049 0.000 1.126 118 V CB -0.653 31.160 31.823 -0.016 0.000 0.934 118 V HN 0.621 nan 8.190 nan 0.000 0.487 119 N N 3.438 122.075 118.700 -0.106 0.000 2.488 119 N HA 0.115 4.855 4.740 -0.000 0.000 0.274 119 N C 0.549 175.879 175.510 -0.300 0.000 1.111 119 N CA 0.363 53.322 53.050 -0.152 0.000 0.974 119 N CB 1.590 40.018 38.487 -0.098 0.000 1.089 119 N HN 0.872 nan 8.380 nan 0.000 0.465 120 T N 0.953 115.213 114.554 -0.490 0.000 3.252 120 T HA 0.237 4.587 4.350 -0.000 0.000 0.286 120 T C 0.754 174.985 174.700 -0.782 0.000 1.013 120 T CA -0.434 60.970 62.100 -1.161 0.000 0.914 120 T CB -0.345 67.973 68.868 -0.918 0.000 1.131 120 T HN 0.304 nan 8.240 nan 0.000 0.529 121 L N 2.540 123.569 121.223 -0.324 0.000 2.455 121 L HA 0.344 4.684 4.340 -0.000 0.000 0.272 121 L C -0.148 176.762 176.870 0.067 0.000 1.174 121 L CA -0.399 54.375 54.840 -0.111 0.000 0.869 121 L CB 0.879 42.907 42.059 -0.053 0.000 1.130 121 L HN 0.133 nan 8.230 nan 0.000 0.474 122 V N 5.860 125.835 119.914 0.102 0.000 2.389 122 V HA 0.134 4.254 4.120 -0.000 0.000 0.264 122 V C 0.066 176.220 176.094 0.101 0.000 1.049 122 V CA -0.509 61.898 62.300 0.177 0.000 0.932 122 V CB 1.062 32.976 31.823 0.151 0.000 1.011 122 V HN 0.398 nan 8.190 nan 0.000 0.475 123 V N 5.580 125.556 119.914 0.103 0.000 2.311 123 V HA 0.335 4.455 4.120 -0.000 0.000 0.275 123 V C 0.317 176.438 176.094 0.046 0.000 1.022 123 V CA -0.401 61.937 62.300 0.063 0.000 0.830 123 V CB 1.287 33.147 31.823 0.062 0.000 1.012 123 V HN 1.048 nan 8.190 nan 0.000 0.452 124 D N 2.219 122.638 120.400 0.033 0.000 2.538 124 D HA 0.013 4.653 4.640 -0.000 0.000 0.231 124 D C 1.050 177.357 176.300 0.012 0.000 1.229 124 D CA 0.130 54.140 54.000 0.018 0.000 0.828 124 D CB 0.467 41.277 40.800 0.016 0.000 1.035 124 D HN 0.557 nan 8.370 nan 0.000 0.495 125 T N -1.680 112.884 114.554 0.017 0.000 3.266 125 T HA 0.362 4.712 4.350 -0.000 0.000 0.278 125 T C 0.555 175.265 174.700 0.016 0.000 1.010 125 T CA -0.551 61.557 62.100 0.014 0.000 0.909 125 T CB -0.317 68.559 68.868 0.014 0.000 1.122 125 T HN -0.006 nan 8.240 nan 0.000 0.536 126 L N 1.860 123.093 121.223 0.017 0.000 2.452 126 L HA 0.376 4.716 4.340 -0.000 0.000 0.267 126 L C 1.116 177.995 176.870 0.016 0.000 1.188 126 L CA -0.587 54.266 54.840 0.022 0.000 0.821 126 L CB 0.667 42.742 42.059 0.027 0.000 1.102 126 L HN 0.273 nan 8.230 nan 0.000 0.470 127 S N 2.100 117.813 115.700 0.021 0.000 2.558 127 S HA 0.079 4.549 4.470 -0.000 0.000 0.288 127 S C -1.376 173.230 174.600 0.011 0.000 1.318 127 S CA -1.043 57.167 58.200 0.016 0.000 1.056 127 S CB 0.644 63.857 63.200 0.022 0.000 0.853 127 S HN 0.416 nan 8.310 nan 0.000 0.505 128 P HA -0.077 nan 4.420 nan 0.000 0.221 128 P C 1.340 178.641 177.300 0.000 0.000 1.145 128 P CA 1.296 64.392 63.100 -0.007 0.000 0.795 128 P CB -0.457 31.238 31.700 -0.008 0.000 0.775 129 T N -5.176 109.387 114.554 0.015 0.000 3.055 129 T HA 0.071 4.421 4.350 -0.000 0.000 0.265 129 T C 1.029 175.759 174.700 0.051 0.000 1.111 129 T CA 0.116 62.232 62.100 0.027 0.000 1.118 129 T CB -0.619 68.266 68.868 0.029 0.000 0.909 129 T HN -0.079 nan 8.240 nan 0.000 0.501 130 S N 1.375 117.108 115.700 0.055 0.000 2.565 130 S HA 0.319 4.789 4.470 -0.000 0.000 0.276 130 S C -0.584 174.095 174.600 0.132 0.000 1.326 130 S CA -1.026 57.234 58.200 0.101 0.000 1.045 130 S CB 0.224 63.477 63.200 0.089 0.000 0.918 130 S HN 0.598 nan 8.310 nan 0.000 0.505 131 W N 3.113 124.419 121.300 0.011 0.000 2.210 131 W HA 0.204 4.864 4.660 0.000 0.000 0.330 131 W C -0.061 176.472 176.519 0.023 0.000 1.334 131 W CA 0.310 57.661 57.345 0.010 0.000 1.227 131 W CB 0.395 29.861 29.460 0.009 0.000 1.178 131 W HN 0.372 nan 8.180 nan 0.000 0.560 132 Q N 4.368 123.776 119.800 -0.653 0.000 2.309 132 Q HA 0.462 4.802 4.340 -0.000 0.000 0.273 132 Q C -0.473 174.858 176.000 -1.115 0.000 1.040 132 Q CA -0.703 54.729 55.803 -0.618 0.000 0.834 132 Q CB 1.855 30.437 28.738 -0.260 0.000 1.345 132 Q HN 0.626 nan 8.270 nan 0.000 0.414 133 A N 1.093 123.443 122.820 -0.782 0.000 2.313 133 A HA 0.416 4.736 4.320 -0.000 0.000 0.261 133 A C 0.692 178.088 177.584 -0.313 0.000 1.090 133 A CA -0.037 51.701 52.037 -0.499 0.000 0.807 133 A CB 0.386 19.462 19.000 0.127 0.000 1.055 133 A HN 0.707 nan 8.150 nan 0.000 0.492 134 S N -0.699 114.860 115.700 -0.235 0.000 2.575 134 S HA 0.155 4.625 4.470 -0.000 0.000 0.215 134 S C 0.673 175.159 174.600 -0.190 0.000 0.966 134 S CA 0.674 58.755 58.200 -0.199 0.000 0.911 134 S CB -0.338 62.775 63.200 -0.146 0.000 0.780 134 S HN 1.125 nan 8.310 nan 0.000 0.514 135 T N -1.553 112.917 114.554 -0.139 0.000 2.812 135 T HA 0.643 4.993 4.350 -0.000 0.000 0.294 135 T C -1.031 173.595 174.700 -0.123 0.000 1.159 135 T CA -0.771 61.249 62.100 -0.134 0.000 1.008 135 T CB 0.668 69.562 68.868 0.043 0.000 1.289 135 T HN -0.093 nan 8.240 nan 0.000 0.514 136 F N 2.912 122.927 119.950 0.108 0.000 2.541 136 F HA 0.415 4.942 4.527 0.000 0.000 0.351 136 F C 0.372 176.196 175.800 0.041 0.000 1.209 136 F CA -1.806 56.213 58.000 0.032 0.000 1.277 136 F CB -0.788 38.209 39.000 -0.005 0.000 1.632 136 F HN 0.562 nan 8.300 nan 0.000 0.619 137 F N -0.689 119.360 119.950 0.165 0.000 2.399 137 F HA 0.580 5.107 4.527 -0.000 0.000 0.313 137 F C -0.019 175.853 175.800 0.120 0.000 1.202 137 F CA -1.600 56.475 58.000 0.125 0.000 1.192 137 F CB -0.157 38.909 39.000 0.110 0.000 1.256 137 F HN -0.161 nan 8.300 nan 0.000 0.558 138 V N 2.750 122.784 119.914 0.200 0.000 2.450 138 V HA 0.263 4.383 4.120 -0.000 0.000 0.281 138 V C 0.162 176.277 176.094 0.034 0.000 1.019 138 V CA 0.075 62.422 62.300 0.079 0.000 1.062 138 V CB -0.629 31.265 31.823 0.120 0.000 0.979 138 V HN 0.743 nan 8.190 nan 0.000 0.477 139 R N 3.627 124.059 120.500 -0.114 0.000 2.808 139 R HA 0.454 4.794 4.340 -0.000 0.000 0.272 139 R C 0.096 176.358 176.300 -0.063 0.000 0.995 139 R CA -0.986 55.026 56.100 -0.147 0.000 0.917 139 R CB 1.342 31.425 30.300 -0.362 0.000 1.217 139 R HN 0.654 nan 8.270 nan 0.000 0.471 140 N N 0.418 119.102 118.700 -0.026 0.000 2.725 140 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 140 N C 0.474 175.976 175.510 -0.013 0.000 1.103 140 N CA 1.638 54.677 53.050 -0.019 0.000 0.707 140 N CB -1.134 37.334 38.487 -0.032 0.000 1.043 140 N HN 1.053 nan 8.380 nan 0.000 0.553 141 G N -2.051 106.748 108.800 -0.003 0.000 2.159 141 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.256 141 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.256 141 G C 0.231 175.128 174.900 -0.004 0.000 0.977 141 G CA 0.892 45.993 45.100 0.001 0.000 0.652 141 G HN 1.343 nan 8.290 nan 0.000 0.531 142 S N -0.478 115.214 115.700 -0.013 0.000 2.593 142 S HA 0.518 4.988 4.470 -0.000 0.000 0.269 142 S C 0.071 174.663 174.600 -0.013 0.000 1.334 142 S CA 0.055 58.243 58.200 -0.020 0.000 1.015 142 S CB 1.837 65.016 63.200 -0.035 0.000 0.912 142 S HN 0.676 nan 8.310 nan 0.000 0.541 143 N N 2.019 120.705 118.700 -0.024 0.000 2.501 143 N HA 0.379 5.119 4.740 -0.000 0.000 0.245 143 N C -1.816 173.680 175.510 -0.023 0.000 0.974 143 N CA -2.526 50.503 53.050 -0.036 0.000 0.941 143 N CB 1.319 39.759 38.487 -0.078 0.000 1.122 143 N HN 0.371 nan 8.380 nan 0.000 0.507 144 P HA -0.005 nan 4.420 nan 0.000 0.237 144 P C 0.131 177.451 177.300 0.033 0.000 1.178 144 P CA 0.774 63.889 63.100 0.026 0.000 0.766 144 P CB 0.527 32.257 31.700 0.050 0.000 0.876 145 E N -0.352 119.853 120.200 0.010 0.000 2.435 145 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 145 E C 0.736 177.343 176.600 0.012 0.000 1.029 145 E CA 0.351 56.777 56.400 0.044 0.000 0.865 145 E CB 0.026 29.718 29.700 -0.014 0.000 0.833 145 E HN 0.276 nan 8.360 nan 0.000 0.510 146 Q N 2.333 122.111 119.800 -0.038 0.000 2.314 146 Q HA 0.034 4.374 4.340 -0.000 0.000 0.257 146 Q C -0.814 175.195 176.000 0.016 0.000 0.975 146 Q CA -0.239 55.543 55.803 -0.036 0.000 0.933 146 Q CB 0.755 29.459 28.738 -0.057 0.000 1.195 146 Q HN -0.193 nan 8.270 nan 0.000 0.426 147 D N 6.031 126.460 120.400 0.048 0.000 2.358 147 D HA 0.048 4.688 4.640 -0.000 0.000 0.258 147 D C -1.672 174.644 176.300 0.027 0.000 1.223 147 D CA -1.844 52.182 54.000 0.044 0.000 0.886 147 D CB 1.290 42.128 40.800 0.063 0.000 1.120 147 D HN 0.428 nan 8.370 nan 0.000 0.482 148 P HA -0.093 nan 4.420 nan 0.000 0.222 148 P C 1.279 178.578 177.300 -0.001 0.000 1.147 148 P CA 0.761 63.858 63.100 -0.006 0.000 0.790 148 P CB 0.303 31.988 31.700 -0.024 0.000 0.780 149 L N -1.231 119.996 121.223 0.005 0.000 2.592 149 L HA 0.167 4.507 4.340 -0.000 0.000 0.227 149 L C 1.482 178.361 176.870 0.015 0.000 1.127 149 L CA 0.255 55.098 54.840 0.005 0.000 0.884 149 L CB -0.160 41.899 42.059 0.000 0.000 1.065 149 L HN -0.156 nan 8.230 nan 0.000 0.457 150 R N -0.288 120.232 120.500 0.033 0.000 2.698 150 R HA 0.218 4.558 4.340 -0.000 0.000 0.422 150 R C -0.458 175.897 176.300 0.092 0.000 1.073 150 R CA -0.244 55.889 56.100 0.054 0.000 1.054 150 R CB 0.301 30.637 30.300 0.059 0.000 1.373 150 R HN 0.057 nan 8.270 nan 0.000 0.593 151 N N 0.560 119.290 118.700 0.050 0.000 2.471 151 N HA 0.396 5.136 4.740 -0.000 0.000 0.288 151 N C -0.850 174.562 175.510 -0.164 0.000 1.220 151 N CA -0.666 52.392 53.050 0.015 0.000 0.893 151 N CB 1.276 39.769 38.487 0.011 0.000 1.256 151 N HN 0.061 nan 8.380 nan 0.000 0.534 152 L N 1.994 122.950 121.223 -0.444 0.000 2.426 152 L HA 0.237 4.577 4.340 -0.000 0.000 0.255 152 L C 1.239 177.898 176.870 -0.352 0.000 1.080 152 L CA -0.280 54.184 54.840 -0.626 0.000 0.960 152 L CB 0.647 41.943 42.059 -1.271 0.000 1.326 152 L HN 0.667 nan 8.230 nan 0.000 0.441 153 S N -0.345 115.251 115.700 -0.172 0.000 2.423 153 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 153 S C 1.777 176.329 174.600 -0.079 0.000 1.014 153 S CA 0.891 59.039 58.200 -0.086 0.000 0.965 153 S CB -0.156 63.011 63.200 -0.054 0.000 0.785 153 S HN 0.638 nan 8.310 nan 0.000 0.495 154 G N 0.563 109.301 108.800 -0.104 0.000 2.813 154 G HA2 0.077 4.037 3.960 -0.000 0.000 0.209 154 G HA3 0.077 4.037 3.960 -0.000 0.000 0.209 154 G C 0.560 175.414 174.900 -0.076 0.000 1.150 154 G CA -0.262 44.790 45.100 -0.081 0.000 0.785 154 G HN 0.343 nan 8.290 nan 0.000 0.535 155 Q N 0.539 120.272 119.800 -0.112 0.000 2.337 155 Q HA 0.521 4.861 4.340 -0.000 0.000 0.270 155 Q C -0.124 175.893 176.000 0.028 0.000 1.002 155 Q CA 0.286 56.054 55.803 -0.059 0.000 0.888 155 Q CB 1.426 30.095 28.738 -0.116 0.000 1.222 155 Q HN 0.286 nan 8.270 nan 0.000 0.400 156 A N 1.895 124.745 122.820 0.049 0.000 2.606 156 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 156 A C -1.057 176.583 177.584 0.093 0.000 1.082 156 A CA -0.539 51.537 52.037 0.064 0.000 0.685 156 A CB 1.265 20.286 19.000 0.034 0.000 1.284 156 A HN 0.463 nan 8.150 nan 0.000 0.408 157 V N -2.096 117.888 119.914 0.115 0.000 3.001 157 V HA 0.964 5.084 4.120 -0.000 0.000 0.314 157 V C -0.422 175.758 176.094 0.144 0.000 1.099 157 V CA -0.576 61.815 62.300 0.153 0.000 0.989 157 V CB 1.638 33.608 31.823 0.245 0.000 1.040 157 V HN 0.922 nan 8.190 nan 0.000 0.434 158 T N 2.282 116.922 114.554 0.143 0.000 2.841 158 T HA 0.577 4.927 4.350 -0.000 0.000 0.285 158 T C -0.387 174.362 174.700 0.081 0.000 0.991 158 T CA -0.488 61.685 62.100 0.121 0.000 0.966 158 T CB 1.264 70.230 68.868 0.163 0.000 0.962 158 T HN 0.765 nan 8.240 nan 0.000 0.438 159 R N 2.548 123.082 120.500 0.058 0.000 2.505 159 R HA 0.585 4.925 4.340 -0.000 0.000 0.284 159 R C -0.656 175.663 176.300 0.032 0.000 1.324 159 R CA -0.556 55.552 56.100 0.014 0.000 1.432 159 R CB 0.677 30.960 30.300 -0.028 0.000 1.107 159 R HN 0.503 nan 8.270 nan 0.000 0.587 160 V N -1.983 117.951 119.914 0.033 0.000 3.087 160 V HA 0.468 4.588 4.120 -0.000 0.000 0.306 160 V C 0.000 176.113 176.094 0.032 0.000 1.187 160 V CA -1.169 61.155 62.300 0.040 0.000 0.999 160 V CB 2.002 33.858 31.823 0.055 0.000 1.049 160 V HN 0.087 nan 8.190 nan 0.000 0.431 161 V N 3.192 123.128 119.914 0.036 0.000 2.540 161 V HA 0.512 4.632 4.120 -0.000 0.000 0.297 161 V C 1.663 177.777 176.094 0.034 0.000 1.024 161 V CA 1.859 64.180 62.300 0.036 0.000 1.105 161 V CB 0.001 31.848 31.823 0.040 0.000 0.938 161 V HN 2.029 nan 8.190 nan 0.000 0.482 162 G N 3.348 112.162 108.800 0.024 0.000 2.194 162 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.236 162 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.236 162 G C 0.956 175.834 174.900 -0.037 0.000 0.987 162 G CA 0.223 45.327 45.100 0.006 0.000 0.635 162 G HN 2.038 nan 8.290 nan 0.000 0.520 163 G N 0.205 108.992 108.800 -0.022 0.000 2.602 163 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.306 163 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.306 163 G C 1.226 176.067 174.900 -0.098 0.000 1.301 163 G CA 1.359 46.437 45.100 -0.037 0.000 0.974 163 G HN 1.080 nan 8.290 nan 0.000 0.547 164 M N 1.528 121.027 119.600 -0.167 0.000 2.476 164 M HA -0.004 4.476 4.480 -0.000 0.000 0.262 164 M C 2.778 178.715 176.300 -0.605 0.000 1.079 164 M CA 1.676 56.722 55.300 -0.422 0.000 1.104 164 M CB -0.215 32.231 32.600 -0.256 0.000 1.409 164 M HN 0.726 nan 8.290 nan 0.000 0.467 165 S N -0.158 115.244 115.700 -0.497 0.000 2.507 165 S HA -0.099 4.371 4.470 -0.000 0.000 0.235 165 S C 1.738 176.184 174.600 -0.256 0.000 0.988 165 S CA 1.408 59.204 58.200 -0.673 0.000 0.944 165 S CB -1.002 61.869 63.200 -0.548 0.000 0.762 165 S HN 0.595 nan 8.310 nan 0.000 0.526 166 T N -0.734 113.695 114.554 -0.208 0.000 3.113 166 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 166 T C 1.336 175.891 174.700 -0.242 0.000 1.143 166 T CA 0.982 62.999 62.100 -0.139 0.000 1.090 166 T CB -0.719 68.156 68.868 0.012 0.000 0.922 166 T HN 0.929 nan 8.240 nan 0.000 0.521 167 H N -2.167 116.798 119.070 -0.175 0.000 3.787 167 H HA 0.187 4.743 4.556 0.000 0.000 0.262 167 H C 0.455 175.979 175.328 0.326 0.000 1.181 167 H CA -1.010 55.089 56.048 0.086 0.000 1.159 167 H CB -0.537 29.275 29.762 0.084 0.000 1.563 167 H HN 0.472 nan 8.280 nan 0.000 0.699 168 W N 2.881 124.120 121.300 -0.103 0.000 2.089 168 W HA 0.275 4.935 4.660 -0.000 0.000 0.355 168 W C 0.057 176.711 176.519 0.225 0.000 1.305 168 W CA 0.065 57.472 57.345 0.104 0.000 1.281 168 W CB -0.225 29.225 29.460 -0.016 0.000 1.183 168 W HN -0.162 nan 8.180 nan 0.000 0.604 169 T N 1.069 115.663 114.554 0.065 0.000 3.085 169 T HA -0.036 4.314 4.350 -0.000 0.000 0.263 169 T C 1.093 175.457 174.700 -0.560 0.000 1.127 169 T CA 1.269 63.247 62.100 -0.202 0.000 1.103 169 T CB -0.549 68.345 68.868 0.044 0.000 0.921 169 T HN 0.670 nan 8.240 nan 0.000 0.510 170 C N 0.883 119.477 119.300 -1.176 0.000 4.465 170 C HA -0.107 4.353 4.460 -0.000 0.000 0.274 170 C C 1.124 175.671 174.990 -0.737 0.000 1.337 170 C CA -0.782 57.234 59.018 -1.669 0.000 1.822 170 C CB -2.757 24.477 27.740 -0.843 0.000 1.357 170 C HN 0.777 nan 8.230 nan 0.000 0.753 171 A N 1.080 123.675 122.820 -0.376 0.000 2.404 171 A HA 0.572 4.892 4.320 -0.000 0.000 0.273 171 A C 0.765 178.292 177.584 -0.095 0.000 1.144 171 A CA 1.092 53.041 52.037 -0.147 0.000 0.806 171 A CB 0.209 19.183 19.000 -0.044 0.000 1.080 171 A HN 1.433 nan 8.150 nan 0.000 0.509 172 T N 1.500 116.011 114.554 -0.071 0.000 3.504 172 T HA 0.519 4.869 4.350 -0.000 0.000 0.286 172 T C -2.728 171.941 174.700 -0.051 0.000 1.530 172 T CA -1.389 60.702 62.100 -0.015 0.000 1.652 172 T CB 0.678 69.575 68.868 0.048 0.000 0.895 172 T HN 0.456 nan 8.240 nan 0.000 0.674 173 P HA 0.420 nan 4.420 nan 0.000 0.279 173 P C -0.266 176.905 177.300 -0.215 0.000 1.252 173 P CA -0.679 62.337 63.100 -0.141 0.000 0.811 173 P CB 1.242 32.845 31.700 -0.162 0.000 1.035 174 R N 0.763 121.045 120.500 -0.362 0.000 2.615 174 R HA 0.404 4.744 4.340 -0.000 0.000 0.270 174 R C 0.025 176.224 176.300 -0.169 0.000 1.081 174 R CA -0.407 55.286 56.100 -0.678 0.000 1.154 174 R CB 0.162 29.900 30.300 -0.937 0.000 1.063 174 R HN 0.377 nan 8.270 nan 0.000 0.519 175 F N 1.876 121.592 119.950 -0.390 0.000 2.396 175 F HA 0.060 4.587 4.527 -0.000 0.000 0.343 175 F C 0.969 176.586 175.800 -0.305 0.000 1.104 175 F CA -1.518 56.286 58.000 -0.327 0.000 1.161 175 F CB 0.437 39.238 39.000 -0.332 0.000 1.146 175 F HN 0.549 nan 8.300 nan 0.000 0.522 176 D N 2.510 122.829 120.400 -0.136 0.000 2.414 176 D HA 0.120 4.760 4.640 -0.000 0.000 0.251 176 D C 1.022 177.234 176.300 -0.147 0.000 1.252 176 D CA -0.377 53.549 54.000 -0.123 0.000 0.999 176 D CB 0.544 41.291 40.800 -0.088 0.000 1.093 176 D HN 0.487 nan 8.370 nan 0.000 0.515 177 R N -0.504 119.937 120.500 -0.098 0.000 2.091 177 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 177 R C 2.021 178.270 176.300 -0.086 0.000 1.136 177 R CA 1.219 57.270 56.100 -0.081 0.000 0.959 177 R CB -0.191 30.096 30.300 -0.022 0.000 0.856 177 R HN 0.597 nan 8.270 nan 0.000 0.437 178 E N 0.667 120.813 120.200 -0.090 0.000 2.209 178 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 178 E C 1.608 178.104 176.600 -0.173 0.000 0.993 178 E CA 1.271 57.622 56.400 -0.082 0.000 0.819 178 E CB 0.134 29.832 29.700 -0.003 0.000 0.745 178 E HN 0.482 nan 8.360 nan 0.000 0.477 179 Q N -0.578 119.027 119.800 -0.325 0.000 2.356 179 Q HA 0.100 4.440 4.340 -0.000 0.000 0.205 179 Q C 0.656 176.569 176.000 -0.145 0.000 0.901 179 Q CA -0.073 55.475 55.803 -0.425 0.000 0.938 179 Q CB 0.724 28.897 28.738 -0.941 0.000 1.081 179 Q HN -0.068 nan 8.270 nan 0.000 0.517 180 R N 1.884 122.333 120.500 -0.085 0.000 2.514 180 R HA 0.328 4.668 4.340 -0.000 0.000 0.301 180 R C -2.651 173.633 176.300 -0.027 0.000 0.962 180 R CA -2.123 53.930 56.100 -0.078 0.000 0.882 180 R CB 1.096 31.181 30.300 -0.358 0.000 1.143 180 R HN -0.160 nan 8.270 nan 0.000 0.452 181 P HA 0.042 nan 4.420 nan 0.000 0.271 181 P C -0.590 176.907 177.300 0.328 0.000 1.218 181 P CA -0.100 63.107 63.100 0.179 0.000 0.780 181 P CB 0.596 32.412 31.700 0.193 0.000 0.901 182 L N 3.112 124.482 121.223 0.244 0.000 2.331 182 L HA 0.176 4.516 4.340 -0.000 0.000 0.278 182 L C 1.527 178.556 176.870 0.265 0.000 1.106 182 L CA -0.158 54.885 54.840 0.339 0.000 0.824 182 L CB 0.405 42.711 42.059 0.412 0.000 1.142 182 L HN 0.386 nan 8.230 nan 0.000 0.443 183 L N 3.819 125.220 121.223 0.297 0.000 2.609 183 L HA 0.219 4.559 4.340 -0.000 0.000 0.230 183 L C -0.266 176.773 176.870 0.282 0.000 1.087 183 L CA 0.228 55.136 54.840 0.113 0.000 0.874 183 L CB 0.863 42.768 42.059 -0.257 0.000 1.114 183 L HN 0.323 nan 8.230 nan 0.000 0.488 184 V N 0.700 120.795 119.914 0.301 0.000 2.569 184 V HA 0.227 4.347 4.120 -0.000 0.000 0.301 184 V C -0.435 175.732 176.094 0.122 0.000 1.044 184 V CA -1.043 61.358 62.300 0.169 0.000 0.874 184 V CB 1.865 33.741 31.823 0.089 0.000 1.002 184 V HN 0.106 nan 8.190 nan 0.000 0.424 185 K N 3.366 123.714 120.400 -0.087 0.000 2.368 185 K HA 0.241 4.561 4.320 -0.000 0.000 0.282 185 K C 0.180 176.741 176.600 -0.066 0.000 1.035 185 K CA -0.170 56.007 56.287 -0.185 0.000 0.973 185 K CB 0.262 32.495 32.500 -0.446 0.000 0.957 185 K HN 0.716 nan 8.250 nan 0.000 0.474 186 D N 2.094 122.484 120.400 -0.016 0.000 2.751 186 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 186 D C -0.766 175.538 176.300 0.007 0.000 1.149 186 D CA 1.313 55.311 54.000 -0.003 0.000 0.682 186 D CB -0.476 40.309 40.800 -0.025 0.000 1.068 186 D HN 0.598 nan 8.370 nan 0.000 0.429 187 D N -1.162 119.254 120.400 0.027 0.000 2.337 187 D HA 0.390 5.030 4.640 -0.000 0.000 0.238 187 D C 0.738 177.072 176.300 0.056 0.000 1.331 187 D CA 0.076 54.096 54.000 0.033 0.000 0.967 187 D CB 0.706 41.519 40.800 0.023 0.000 1.382 187 D HN -0.011 nan 8.370 nan 0.000 0.549 188 A N 2.695 125.550 122.820 0.058 0.000 2.015 188 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 188 A C 1.548 179.180 177.584 0.080 0.000 1.163 188 A CA 1.215 53.297 52.037 0.075 0.000 0.646 188 A CB 0.086 19.122 19.000 0.061 0.000 0.806 188 A HN 0.475 nan 8.150 nan 0.000 0.448 189 D N -0.160 120.278 120.400 0.063 0.000 2.213 189 D HA 0.093 4.733 4.640 -0.000 0.000 0.205 189 D C 2.192 178.531 176.300 0.065 0.000 0.961 189 D CA 1.173 55.209 54.000 0.061 0.000 0.853 189 D CB -0.266 40.561 40.800 0.045 0.000 0.967 189 D HN 0.411 nan 8.370 nan 0.000 0.496 190 A N 1.116 123.970 122.820 0.057 0.000 1.930 190 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 190 A C 1.946 179.572 177.584 0.070 0.000 1.175 190 A CA 1.847 53.913 52.037 0.049 0.000 0.627 190 A CB -0.511 18.510 19.000 0.035 0.000 0.815 190 A HN 0.125 nan 8.150 nan 0.000 0.443 191 D N -0.112 120.352 120.400 0.106 0.000 2.084 191 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 191 D C 1.277 177.731 176.300 0.257 0.000 0.990 191 D CA 1.625 55.732 54.000 0.177 0.000 0.826 191 D CB -0.129 40.803 40.800 0.218 0.000 0.971 191 D HN 0.343 nan 8.370 nan 0.000 0.453 192 D N -0.151 120.374 120.400 0.208 0.000 2.123 192 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 192 D C 1.983 178.394 176.300 0.185 0.000 0.992 192 D CA 1.451 55.577 54.000 0.209 0.000 0.833 192 D CB -0.601 40.277 40.800 0.130 0.000 0.954 192 D HN 0.335 nan 8.370 nan 0.000 0.455 193 A N 0.711 123.600 122.820 0.116 0.000 1.877 193 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 193 A C 2.164 179.780 177.584 0.053 0.000 1.186 193 A CA 1.943 54.025 52.037 0.076 0.000 0.620 193 A CB -0.574 18.453 19.000 0.045 0.000 0.822 193 A HN 0.165 nan 8.150 nan 0.000 0.443 194 E N -0.795 119.416 120.200 0.017 0.000 2.051 194 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 194 E C 1.688 178.209 176.600 -0.131 0.000 0.991 194 E CA 1.669 58.012 56.400 -0.095 0.000 0.799 194 E CB -0.475 29.120 29.700 -0.173 0.000 0.748 194 E HN 0.731 nan 8.360 nan 0.000 0.449 195 W N 0.606 121.867 121.300 -0.064 0.000 2.388 195 W HA -0.089 4.571 4.660 -0.000 0.000 0.294 195 W C 2.188 178.688 176.519 -0.031 0.000 1.212 195 W CA 1.184 58.448 57.345 -0.136 0.000 1.271 195 W CB -0.378 29.043 29.460 -0.066 0.000 1.126 195 W HN 0.229 nan 8.180 nan 0.000 0.535 196 D N 0.015 120.585 120.400 0.283 0.000 2.117 196 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 196 D C 2.145 178.521 176.300 0.126 0.000 0.987 196 D CA 1.470 55.606 54.000 0.228 0.000 0.829 196 D CB -0.202 40.687 40.800 0.149 0.000 0.961 196 D HN -0.057 nan 8.370 nan 0.000 0.460 197 R N -0.402 120.126 120.500 0.046 0.000 2.091 197 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 197 R C 2.430 178.689 176.300 -0.068 0.000 1.136 197 R CA 1.157 57.245 56.100 -0.019 0.000 0.959 197 R CB -0.248 30.021 30.300 -0.052 0.000 0.856 197 R HN 0.280 nan 8.270 nan 0.000 0.437 198 L N -0.881 120.269 121.223 -0.122 0.000 2.072 198 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 198 L C 2.226 179.024 176.870 -0.119 0.000 1.079 198 L CA 0.990 55.705 54.840 -0.207 0.000 0.752 198 L CB -0.542 41.288 42.059 -0.382 0.000 0.906 198 L HN 0.195 nan 8.230 nan 0.000 0.436 199 Y N 0.408 120.721 120.300 0.022 0.000 2.224 199 Y HA -0.221 4.329 4.550 -0.000 0.000 0.289 199 Y C 2.856 178.741 175.900 -0.024 0.000 1.146 199 Y CA 1.442 59.557 58.100 0.025 0.000 1.182 199 Y CB -1.077 37.425 38.460 0.070 0.000 0.983 199 Y HN 0.133 nan 8.280 nan 0.000 0.524 200 T N -0.476 114.152 114.554 0.123 0.000 2.777 200 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 200 T C 1.986 176.662 174.700 -0.040 0.000 1.040 200 T CA 1.517 63.644 62.100 0.045 0.000 1.141 200 T CB -0.129 68.757 68.868 0.030 0.000 0.868 200 T HN 0.218 nan 8.240 nan 0.000 0.444 201 K N 0.959 121.280 120.400 -0.132 0.000 2.026 201 K HA -0.031 4.289 4.320 -0.000 0.000 0.208 201 K C 2.525 178.827 176.600 -0.496 0.000 1.048 201 K CA 1.209 57.294 56.287 -0.336 0.000 0.929 201 K CB -0.316 31.932 32.500 -0.420 0.000 0.713 201 K HN 0.261 nan 8.250 nan 0.000 0.439 202 A N 1.297 123.927 122.820 -0.318 0.000 1.908 202 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 202 A C 1.837 179.436 177.584 0.025 0.000 1.181 202 A CA 1.846 53.763 52.037 -0.200 0.000 0.627 202 A CB -0.533 18.455 19.000 -0.020 0.000 0.818 202 A HN 0.476 nan 8.150 nan 0.000 0.445 203 E N 0.143 120.397 120.200 0.092 0.000 2.153 203 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 203 E C 2.375 179.065 176.600 0.151 0.000 0.988 203 E CA 1.443 57.938 56.400 0.160 0.000 0.811 203 E CB -0.170 29.595 29.700 0.109 0.000 0.746 203 E HN 0.836 nan 8.360 nan 0.000 0.466 204 S N 0.079 115.821 115.700 0.070 0.000 2.371 204 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 204 S C 1.934 176.686 174.600 0.253 0.000 1.029 204 S CA 0.603 58.876 58.200 0.121 0.000 0.978 204 S CB -0.496 62.750 63.200 0.078 0.000 0.833 204 S HN 0.189 nan 8.310 nan 0.000 0.466 205 Y N 0.937 121.251 120.300 0.022 0.000 2.114 205 Y HA 0.004 4.554 4.550 -0.000 0.000 0.282 205 Y C 2.158 178.099 175.900 0.069 0.000 1.165 205 Y CA 0.237 58.318 58.100 -0.032 0.000 1.148 205 Y CB -1.186 37.166 38.460 -0.180 0.000 0.972 205 Y HN 0.300 nan 8.280 nan 0.000 0.504 206 F N 0.212 120.317 119.950 0.258 0.000 2.780 206 F HA 0.017 4.544 4.527 0.000 0.000 0.299 206 F C 0.825 176.737 175.800 0.187 0.000 1.146 206 F CA 0.219 58.360 58.000 0.236 0.000 1.428 206 F CB -0.426 38.734 39.000 0.266 0.000 1.115 206 F HN 0.033 nan 8.300 nan 0.000 0.583 207 Q N 0.436 120.431 119.800 0.324 0.000 2.463 207 Q HA -0.198 4.142 4.340 -0.000 0.000 0.299 207 Q C 0.132 176.221 176.000 0.149 0.000 1.353 207 Q CA 0.753 56.669 55.803 0.190 0.000 0.828 207 Q CB -2.703 26.122 28.738 0.144 0.000 1.157 207 Q HN 0.211 nan 8.270 nan 0.000 0.436 208 T N -0.071 114.587 114.554 0.172 0.000 2.930 208 T HA 0.462 4.812 4.350 -0.000 0.000 0.306 208 T C 0.799 175.534 174.700 0.058 0.000 1.045 208 T CA 0.557 62.722 62.100 0.108 0.000 1.134 208 T CB 1.298 70.240 68.868 0.124 0.000 0.961 208 T HN 0.495 nan 8.240 nan 0.000 0.545 209 G N 0.474 109.290 108.800 0.027 0.000 2.708 209 G HA2 0.559 4.519 3.960 -0.000 0.000 0.289 209 G HA3 0.559 4.519 3.960 -0.000 0.000 0.289 209 G C 0.016 174.926 174.900 0.016 0.000 1.416 209 G CA -0.588 44.520 45.100 0.013 0.000 0.829 209 G HN 0.637 nan 8.290 nan 0.000 0.480 210 T N -2.491 112.073 114.554 0.016 0.000 3.337 210 T HA 0.262 4.612 4.350 -0.000 0.000 0.299 210 T C 0.060 174.776 174.700 0.028 0.000 0.998 210 T CA 0.425 62.544 62.100 0.032 0.000 0.948 210 T CB 0.420 69.311 68.868 0.038 0.000 1.170 210 T HN 0.476 nan 8.240 nan 0.000 0.508 211 D N 0.291 120.690 120.400 -0.003 0.000 2.500 211 D HA 0.082 4.722 4.640 -0.000 0.000 0.217 211 D C 1.386 177.628 176.300 -0.097 0.000 1.159 211 D CA -0.074 53.905 54.000 -0.036 0.000 0.828 211 D CB -0.082 40.691 40.800 -0.045 0.000 1.039 211 D HN 0.269 nan 8.370 nan 0.000 0.512 212 Q N -0.542 119.199 119.800 -0.099 0.000 2.436 212 Q HA 0.188 4.528 4.340 -0.000 0.000 0.209 212 Q C 0.195 175.846 176.000 -0.582 0.000 0.965 212 Q CA 0.812 56.432 55.803 -0.304 0.000 0.910 212 Q CB -0.162 28.390 28.738 -0.310 0.000 0.980 212 Q HN 0.279 nan 8.270 nan 0.000 0.491 213 F N -0.144 119.645 119.950 -0.269 0.000 2.735 213 F HA 0.223 4.750 4.527 -0.000 0.000 0.308 213 F C 1.221 176.822 175.800 -0.331 0.000 1.112 213 F CA -0.540 57.253 58.000 -0.344 0.000 1.235 213 F CB 0.426 39.120 39.000 -0.510 0.000 1.027 213 F HN -0.020 nan 8.300 nan 0.000 0.528 214 K N 0.405 120.722 120.400 -0.138 0.000 2.209 214 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 214 K C 0.486 176.966 176.600 -0.199 0.000 1.048 214 K CA 1.628 57.871 56.287 -0.073 0.000 0.940 214 K CB -0.158 32.288 32.500 -0.089 0.000 0.729 214 K HN 0.334 nan 8.250 nan 0.000 0.451 215 E N 1.704 121.668 120.200 -0.393 0.000 2.736 215 E HA 0.070 4.420 4.350 -0.000 0.000 0.208 215 E C -0.907 175.500 176.600 -0.322 0.000 0.996 215 E CA -0.299 55.611 56.400 -0.816 0.000 1.104 215 E CB 1.084 30.140 29.700 -1.073 0.000 1.111 215 E HN 0.181 nan 8.360 nan 0.000 0.455 216 S N 0.713 116.395 115.700 -0.030 0.000 2.499 216 S HA 0.195 4.665 4.470 -0.000 0.000 0.275 216 S C 1.249 175.952 174.600 0.173 0.000 1.257 216 S CA -0.441 57.816 58.200 0.096 0.000 1.050 216 S CB 0.469 63.788 63.200 0.198 0.000 0.937 216 S HN 0.257 nan 8.310 nan 0.000 0.490 217 I N 5.024 125.573 120.570 -0.035 0.000 2.163 217 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 217 I C 2.759 178.700 176.117 -0.292 0.000 1.085 217 I CA 1.255 62.267 61.300 -0.480 0.000 1.347 217 I CB -0.206 37.301 38.000 -0.822 0.000 1.044 217 I HN 0.710 nan 8.210 nan 0.000 0.408 218 R N -0.527 119.898 120.500 -0.125 0.000 2.083 218 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 218 R C 2.383 178.713 176.300 0.051 0.000 1.137 218 R CA 1.949 58.026 56.100 -0.038 0.000 0.951 218 R CB -0.717 29.576 30.300 -0.011 0.000 0.851 218 R HN 0.442 nan 8.270 nan 0.000 0.434 219 H N 1.102 120.194 119.070 0.037 0.000 2.290 219 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 219 H C 1.816 177.213 175.328 0.115 0.000 1.087 219 H CA 1.948 58.038 56.048 0.070 0.000 1.291 219 H CB -0.131 29.706 29.762 0.126 0.000 1.369 219 H HN 0.127 nan 8.280 nan 0.000 0.492 220 N N 0.045 118.840 118.700 0.159 0.000 2.188 220 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 220 N C 2.029 177.672 175.510 0.222 0.000 1.018 220 N CA 0.959 54.143 53.050 0.224 0.000 0.858 220 N CB -0.259 38.574 38.487 0.576 0.000 0.989 220 N HN 0.281 nan 8.380 nan 0.000 0.426 221 L N 1.430 122.798 121.223 0.242 0.000 1.990 221 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 221 L C 2.205 179.124 176.870 0.081 0.000 1.072 221 L CA 1.501 56.475 54.840 0.224 0.000 0.755 221 L CB -0.730 41.413 42.059 0.140 0.000 0.889 221 L HN -0.096 nan 8.230 nan 0.000 0.432 222 V N -1.023 118.894 119.914 0.006 0.000 2.307 222 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 222 V C 2.422 178.445 176.094 -0.119 0.000 1.045 222 V CA 1.513 63.783 62.300 -0.049 0.000 1.024 222 V CB -0.654 31.117 31.823 -0.087 0.000 0.651 222 V HN 0.467 nan 8.190 nan 0.000 0.449 223 L N 1.051 122.167 121.223 -0.179 0.000 1.990 223 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 223 L C 2.217 179.023 176.870 -0.108 0.000 1.072 223 L CA 2.155 56.886 54.840 -0.183 0.000 0.755 223 L CB -0.984 40.936 42.059 -0.232 0.000 0.889 223 L HN 0.339 nan 8.230 nan 0.000 0.432 224 N N -0.516 118.166 118.700 -0.031 0.000 2.188 224 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 224 N C 1.835 177.324 175.510 -0.034 0.000 1.018 224 N CA 1.131 54.180 53.050 -0.002 0.000 0.858 224 N CB -0.252 38.261 38.487 0.042 0.000 0.989 224 N HN 0.268 nan 8.380 nan 0.000 0.426 225 K N 1.407 121.784 120.400 -0.039 0.000 2.025 225 K HA 0.068 4.388 4.320 -0.000 0.000 0.207 225 K C 1.963 178.510 176.600 -0.088 0.000 1.049 225 K CA 0.860 57.123 56.287 -0.040 0.000 0.933 225 K CB -0.450 32.044 32.500 -0.009 0.000 0.714 225 K HN 0.094 nan 8.250 nan 0.000 0.438 226 L N 0.092 121.191 121.223 -0.206 0.000 2.017 226 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 226 L C 2.285 178.942 176.870 -0.354 0.000 1.073 226 L CA 1.815 56.393 54.840 -0.436 0.000 0.745 226 L CB -0.916 40.459 42.059 -1.141 0.000 0.894 226 L HN 0.273 nan 8.230 nan 0.000 0.432 227 T N -0.620 113.778 114.554 -0.261 0.000 2.635 227 T HA -0.300 4.050 4.350 -0.000 0.000 0.267 227 T C 1.752 176.492 174.700 0.067 0.000 1.040 227 T CA 1.989 64.102 62.100 0.022 0.000 1.156 227 T CB -0.272 68.628 68.868 0.055 0.000 0.863 227 T HN 0.465 nan 8.240 nan 0.000 0.430 228 E N 0.844 121.050 120.200 0.010 0.000 2.038 228 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 228 E C 2.105 178.699 176.600 -0.011 0.000 1.000 228 E CA 1.329 57.729 56.400 0.001 0.000 0.803 228 E CB -0.131 29.556 29.700 -0.022 0.000 0.750 228 E HN 0.378 nan 8.360 nan 0.000 0.448 229 E N -0.395 119.782 120.200 -0.038 0.000 2.160 229 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 229 E C 1.109 177.561 176.600 -0.247 0.000 0.991 229 E CA 1.048 57.358 56.400 -0.151 0.000 0.810 229 E CB -0.145 29.438 29.700 -0.195 0.000 0.742 229 E HN 0.507 nan 8.360 nan 0.000 0.466 230 Y N 0.251 120.578 120.300 0.046 0.000 2.681 230 Y HA 0.182 4.732 4.550 -0.000 0.000 0.267 230 Y C 0.659 176.626 175.900 0.111 0.000 1.166 230 Y CA -0.407 57.767 58.100 0.123 0.000 1.209 230 Y CB 0.396 39.035 38.460 0.298 0.000 1.161 230 Y HN -0.266 nan 8.280 nan 0.000 0.534 231 K N 0.603 121.089 120.400 0.142 0.000 2.484 231 K HA 0.151 4.471 4.320 -0.000 0.000 0.280 231 K C 1.238 177.894 176.600 0.094 0.000 1.013 231 K CA 1.316 57.669 56.287 0.111 0.000 1.029 231 K CB 0.124 32.658 32.500 0.057 0.000 0.902 231 K HN 0.633 nan 8.250 nan 0.000 0.481 232 G N 3.071 111.929 108.800 0.096 0.000 2.212 232 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.266 232 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.266 232 G C 0.655 175.611 174.900 0.093 0.000 0.978 232 G CA 0.790 45.937 45.100 0.078 0.000 0.632 232 G HN 0.737 nan 8.290 nan 0.000 0.537 233 Q N -1.317 118.566 119.800 0.138 0.000 2.534 233 Q HA 0.265 4.605 4.340 -0.000 0.000 0.252 233 Q C 1.147 177.236 176.000 0.148 0.000 0.850 233 Q CA 0.202 56.095 55.803 0.149 0.000 0.974 233 Q CB 0.946 29.800 28.738 0.193 0.000 1.205 233 Q HN 0.518 nan 8.270 nan 0.000 0.593 234 R N 0.464 121.068 120.500 0.173 0.000 2.774 234 R HA 0.420 4.760 4.340 -0.000 0.000 0.272 234 R C -1.553 174.781 176.300 0.057 0.000 1.000 234 R CA -0.775 55.342 56.100 0.028 0.000 0.906 234 R CB 1.558 31.688 30.300 -0.284 0.000 1.227 234 R HN -0.062 nan 8.270 nan 0.000 0.468 235 D N 1.131 121.482 120.400 -0.082 0.000 2.185 235 D HA 0.410 5.050 4.640 -0.000 0.000 0.247 235 D C -0.817 175.326 176.300 -0.262 0.000 1.027 235 D CA 0.004 53.991 54.000 -0.021 0.000 0.861 235 D CB 1.370 42.164 40.800 -0.009 0.000 1.202 235 D HN 0.140 nan 8.370 nan 0.000 0.453 236 F N 0.728 120.680 119.950 0.002 0.000 2.546 236 F HA 0.395 4.922 4.527 -0.000 0.000 0.320 236 F C 0.606 176.414 175.800 0.013 0.000 1.076 236 F CA -0.595 57.396 58.000 -0.015 0.000 0.928 236 F CB 1.892 40.877 39.000 -0.025 0.000 1.189 236 F HN 0.226 nan 8.300 nan 0.000 0.465 237 Q N 0.006 119.912 119.800 0.175 0.000 2.737 237 Q HA 0.334 4.674 4.340 -0.000 0.000 0.307 237 Q C -1.676 174.425 176.000 0.169 0.000 0.905 237 Q CA -1.285 54.606 55.803 0.147 0.000 0.753 237 Q CB 1.754 30.545 28.738 0.089 0.000 1.463 237 Q HN 0.608 nan 8.270 nan 0.000 0.455 238 Q N 0.972 120.890 119.800 0.197 0.000 2.314 238 Q HA 0.291 4.631 4.340 -0.000 0.000 0.258 238 Q C -0.491 175.565 176.000 0.094 0.000 0.954 238 Q CA -0.363 55.565 55.803 0.210 0.000 0.890 238 Q CB 0.603 29.433 28.738 0.154 0.000 1.210 238 Q HN 0.601 nan 8.270 nan 0.000 0.410 239 I N 6.503 127.105 120.570 0.052 0.000 2.906 239 I HA -0.102 4.068 4.170 -0.000 0.000 0.301 239 I C -1.963 174.165 176.117 0.018 0.000 1.221 239 I CA -1.114 60.195 61.300 0.015 0.000 1.435 239 I CB -0.039 37.936 38.000 -0.042 0.000 1.345 239 I HN 0.440 nan 8.210 nan 0.000 0.558 240 P HA 0.251 nan 4.420 nan 0.000 0.271 240 P C -0.873 176.424 177.300 -0.006 0.000 1.220 240 P CA 0.118 63.222 63.100 0.007 0.000 0.768 240 P CB 0.535 32.229 31.700 -0.009 0.000 0.848 241 L N 2.203 123.429 121.223 0.005 0.000 2.410 241 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 241 L C 0.111 176.967 176.870 -0.022 0.000 0.983 241 L CA -1.152 53.686 54.840 -0.004 0.000 0.822 241 L CB 2.212 44.326 42.059 0.092 0.000 1.285 241 L HN 0.250 nan 8.230 nan 0.000 0.409 242 A N 3.241 126.006 122.820 -0.092 0.000 2.671 242 A HA 0.773 5.093 4.320 -0.000 0.000 0.306 242 A C 0.031 177.616 177.584 0.001 0.000 1.473 242 A CA 0.154 52.173 52.037 -0.029 0.000 1.155 242 A CB -0.280 18.638 19.000 -0.137 0.000 1.123 242 A HN 0.811 nan 8.150 nan 0.000 0.545 243 A N 2.034 124.827 122.820 -0.046 0.000 2.585 243 A HA 0.681 5.001 4.320 -0.000 0.000 0.299 243 A C -0.515 176.941 177.584 -0.214 0.000 1.047 243 A CA -0.467 51.433 52.037 -0.228 0.000 0.723 243 A CB 0.612 19.278 19.000 -0.556 0.000 1.275 243 A HN 0.698 nan 8.150 nan 0.000 0.408 244 T N 1.598 116.005 114.554 -0.246 0.000 2.840 244 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 244 T C -0.013 174.547 174.700 -0.235 0.000 0.991 244 T CA -0.437 61.554 62.100 -0.182 0.000 0.964 244 T CB 1.243 70.060 68.868 -0.085 0.000 0.954 244 T HN 0.734 nan 8.240 nan 0.000 0.438 245 R N 2.276 122.628 120.500 -0.247 0.000 2.389 245 R HA 0.257 4.597 4.340 -0.000 0.000 0.295 245 R C 0.773 176.998 176.300 -0.125 0.000 1.075 245 R CA -0.397 55.562 56.100 -0.236 0.000 1.005 245 R CB 0.385 30.507 30.300 -0.297 0.000 0.987 245 R HN 0.422 nan 8.270 nan 0.000 0.452 246 R N 1.124 121.596 120.500 -0.046 0.000 2.250 246 R HA 0.136 4.476 4.340 -0.000 0.000 0.194 246 R C 0.197 176.462 176.300 -0.057 0.000 0.927 246 R CA 0.605 56.677 56.100 -0.047 0.000 1.052 246 R CB 0.434 30.699 30.300 -0.057 0.000 1.055 246 R HN 0.759 nan 8.270 nan 0.000 0.537 247 S N -1.285 114.398 115.700 -0.027 0.000 2.643 247 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 247 S C -2.617 171.952 174.600 -0.053 0.000 1.166 247 S CA -1.057 57.121 58.200 -0.037 0.000 0.815 247 S CB 2.152 65.345 63.200 -0.012 0.000 1.139 247 S HN -0.268 nan 8.310 nan 0.000 0.472 248 P HA 0.023 nan 4.420 nan 0.000 0.223 248 P C 0.979 178.247 177.300 -0.053 0.000 1.144 248 P CA 1.712 64.768 63.100 -0.074 0.000 0.783 248 P CB -0.191 31.482 31.700 -0.044 0.000 0.771 249 T N -6.771 107.785 114.554 0.003 0.000 3.145 249 T HA 0.301 4.651 4.350 -0.000 0.000 0.281 249 T C -0.296 174.453 174.700 0.082 0.000 1.003 249 T CA -0.373 61.747 62.100 0.032 0.000 0.901 249 T CB -0.573 68.329 68.868 0.057 0.000 1.112 249 T HN -0.136 nan 8.240 nan 0.000 0.535 250 F N 1.713 121.608 119.950 -0.092 0.000 2.585 250 F HA 0.647 5.174 4.527 0.000 0.000 0.319 250 F C -1.554 174.133 175.800 -0.189 0.000 1.165 250 F CA -1.289 56.656 58.000 -0.093 0.000 0.949 250 F CB 1.919 40.878 39.000 -0.068 0.000 1.218 250 F HN -0.079 nan 8.300 nan 0.000 0.453 251 V N 5.142 124.821 119.914 -0.391 0.000 2.417 251 V HA 0.305 4.425 4.120 -0.000 0.000 0.291 251 V C -0.287 175.409 176.094 -0.664 0.000 1.024 251 V CA -0.864 61.104 62.300 -0.554 0.000 0.861 251 V CB 1.642 32.893 31.823 -0.953 0.000 0.985 251 V HN 0.717 nan 8.190 nan 0.000 0.436 252 E N 4.357 124.393 120.200 -0.273 0.000 1.996 252 E HA 0.168 4.518 4.350 -0.000 0.000 0.280 252 E C -1.029 175.398 176.600 -0.290 0.000 1.092 252 E CA -0.553 55.795 56.400 -0.088 0.000 0.862 252 E CB 0.413 30.201 29.700 0.147 0.000 1.066 252 E HN 0.624 nan 8.360 nan 0.000 0.396 253 W N 3.012 124.242 121.300 -0.117 0.000 2.210 253 W HA 0.100 4.760 4.660 0.000 0.000 0.330 253 W C 0.655 177.221 176.519 0.078 0.000 1.334 253 W CA -0.456 56.794 57.345 -0.159 0.000 1.227 253 W CB 0.729 29.862 29.460 -0.546 0.000 1.178 253 W HN 0.324 nan 8.180 nan 0.000 0.560 254 S N 1.571 117.479 115.700 0.346 0.000 2.624 254 S HA 0.650 5.120 4.470 -0.000 0.000 0.263 254 S C 0.120 175.158 174.600 0.731 0.000 1.287 254 S CA -0.511 57.961 58.200 0.454 0.000 0.990 254 S CB 1.206 64.666 63.200 0.434 0.000 0.950 254 S HN 0.523 nan 8.310 nan 0.000 0.561 255 S N -0.791 115.291 115.700 0.637 0.000 2.683 255 S HA 0.639 5.109 4.470 -0.000 0.000 0.269 255 S C 0.647 175.464 174.600 0.361 0.000 1.165 255 S CA -0.323 58.175 58.200 0.497 0.000 0.840 255 S CB 0.477 63.899 63.200 0.369 0.000 1.169 255 S HN 0.767 nan 8.310 nan 0.000 0.490 256 A N 1.564 124.487 122.820 0.172 0.000 1.948 256 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 256 A C 2.014 179.650 177.584 0.087 0.000 1.177 256 A CA 2.174 54.267 52.037 0.093 0.000 0.636 256 A CB -1.524 17.494 19.000 0.032 0.000 0.815 256 A HN 0.863 nan 8.150 nan 0.000 0.449 257 N N -0.549 118.210 118.700 0.098 0.000 2.104 257 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 257 N C 1.586 177.123 175.510 0.046 0.000 1.024 257 N CA 2.100 55.179 53.050 0.049 0.000 0.853 257 N CB -0.246 38.284 38.487 0.072 0.000 1.008 257 N HN 0.479 nan 8.380 nan 0.000 0.424 258 T N 0.654 115.287 114.554 0.133 0.000 2.720 258 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 258 T C 2.094 176.832 174.700 0.063 0.000 1.037 258 T CA 1.253 63.434 62.100 0.135 0.000 1.144 258 T CB -0.316 68.713 68.868 0.268 0.000 0.864 258 T HN 0.064 nan 8.240 nan 0.000 0.444 259 V N -0.467 119.471 119.914 0.041 0.000 2.358 259 V HA 0.130 4.250 4.120 -0.000 0.000 0.246 259 V C 0.529 176.574 176.094 -0.081 0.000 1.047 259 V CA 1.001 63.239 62.300 -0.104 0.000 1.035 259 V CB -0.448 31.269 31.823 -0.177 0.000 0.658 259 V HN 0.503 nan 8.190 nan 0.000 0.452 260 F N 0.781 120.606 119.950 -0.209 0.000 2.623 260 F HA 0.363 4.890 4.527 -0.000 0.000 0.323 260 F C 0.155 175.835 175.800 -0.201 0.000 1.158 260 F CA -1.598 56.247 58.000 -0.259 0.000 1.030 260 F CB 1.311 40.108 39.000 -0.339 0.000 1.280 260 F HN 0.146 nan 8.300 nan 0.000 0.474 261 D N 4.772 124.699 120.400 -0.788 0.000 2.371 261 D HA -0.048 4.592 4.640 -0.000 0.000 0.221 261 D C 1.155 177.178 176.300 -0.463 0.000 0.986 261 D CA 1.151 54.852 54.000 -0.497 0.000 0.899 261 D CB -0.041 40.520 40.800 -0.400 0.000 0.902 261 D HN 0.669 nan 8.370 nan 0.000 0.530 262 L N -1.734 119.047 121.223 -0.736 0.000 4.429 262 L HA -0.241 4.099 4.340 -0.000 0.000 0.422 262 L C -0.300 176.529 176.870 -0.069 0.000 1.149 262 L CA 0.418 55.100 54.840 -0.264 0.000 0.972 262 L CB -1.360 40.701 42.059 0.004 0.000 2.059 262 L HN 0.264 nan 8.230 nan 0.000 0.870 263 Q N 0.868 120.533 119.800 -0.225 0.000 2.314 263 Q HA 0.241 4.581 4.340 -0.000 0.000 0.258 263 Q C 0.376 176.445 176.000 0.114 0.000 0.954 263 Q CA -0.240 55.527 55.803 -0.060 0.000 0.890 263 Q CB 0.742 29.410 28.738 -0.117 0.000 1.210 263 Q HN 0.135 nan 8.270 nan 0.000 0.410 264 N N 2.136 120.903 118.700 0.112 0.000 2.407 264 N HA 0.022 4.762 4.740 -0.000 0.000 0.250 264 N C -0.305 175.269 175.510 0.106 0.000 1.236 264 N CA 0.560 53.676 53.050 0.111 0.000 0.879 264 N CB 0.516 38.977 38.487 -0.042 0.000 1.088 264 N HN 0.257 nan 8.380 nan 0.000 0.450 265 R N 1.534 122.124 120.500 0.150 0.000 2.744 265 R HA 0.462 4.802 4.340 -0.000 0.000 0.279 265 R C -2.549 173.812 176.300 0.102 0.000 0.977 265 R CA -1.688 54.489 56.100 0.128 0.000 0.906 265 R CB 1.761 32.166 30.300 0.174 0.000 1.197 265 R HN 0.336 nan 8.270 nan 0.000 0.463 266 P HA 0.055 nan 4.420 nan 0.000 0.268 266 P C -1.212 176.143 177.300 0.091 0.000 1.204 266 P CA -0.121 63.069 63.100 0.150 0.000 0.768 266 P CB 0.608 32.445 31.700 0.229 0.000 0.842 267 N N -0.402 118.339 118.700 0.068 0.000 3.102 267 N HA 0.303 5.043 4.740 -0.000 0.000 0.299 267 N C 0.452 175.977 175.510 0.026 0.000 1.482 267 N CA -0.718 52.352 53.050 0.035 0.000 0.785 267 N CB -0.469 38.027 38.487 0.014 0.000 1.680 267 N HN 0.035 nan 8.380 nan 0.000 0.594 268 T N -0.929 113.631 114.554 0.009 0.000 2.821 268 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 268 T C 0.401 175.101 174.700 0.001 0.000 1.046 268 T CA 1.376 63.478 62.100 0.004 0.000 1.139 268 T CB -0.376 68.490 68.868 -0.003 0.000 0.871 268 T HN 0.490 nan 8.240 nan 0.000 0.454 269 D N 1.534 121.931 120.400 -0.006 0.000 2.194 269 D HA 0.135 4.775 4.640 -0.000 0.000 0.204 269 D C 0.930 177.230 176.300 -0.001 0.000 0.964 269 D CA 0.563 54.557 54.000 -0.011 0.000 0.846 269 D CB 0.098 40.882 40.800 -0.028 0.000 0.962 269 D HN 0.401 nan 8.370 nan 0.000 0.490 270 A N 1.431 124.259 122.820 0.012 0.000 3.030 270 A HA 0.339 4.659 4.320 -0.000 0.000 0.335 270 A C -1.878 175.750 177.584 0.072 0.000 1.089 270 A CA -0.993 51.066 52.037 0.037 0.000 0.807 270 A CB 1.068 20.090 19.000 0.037 0.000 1.099 270 A HN -0.142 nan 8.150 nan 0.000 0.474 271 P HA -0.103 nan 4.420 nan 0.000 0.226 271 P C 0.585 177.976 177.300 0.151 0.000 1.153 271 P CA 1.120 64.266 63.100 0.077 0.000 0.777 271 P CB 0.451 32.165 31.700 0.024 0.000 0.794 272 E N -0.330 119.976 120.200 0.177 0.000 2.481 272 E HA 0.096 4.446 4.350 -0.000 0.000 0.198 272 E C 0.268 177.097 176.600 0.382 0.000 1.027 272 E CA 0.041 56.630 56.400 0.314 0.000 0.900 272 E CB 0.455 30.256 29.700 0.168 0.000 0.993 272 E HN 0.495 nan 8.360 nan 0.000 0.482 273 E N 0.930 121.270 120.200 0.234 0.000 2.250 273 E HA 0.424 4.774 4.350 -0.000 0.000 0.269 273 E C -0.268 176.364 176.600 0.052 0.000 1.018 273 E CA -0.466 56.006 56.400 0.120 0.000 0.873 273 E CB 1.421 31.192 29.700 0.117 0.000 1.134 273 E HN -0.138 nan 8.360 nan 0.000 0.403 274 R N 1.742 122.237 120.500 -0.009 0.000 2.500 274 R HA 0.399 4.739 4.340 -0.000 0.000 0.299 274 R C -1.633 174.738 176.300 0.118 0.000 1.038 274 R CA -0.491 55.578 56.100 -0.051 0.000 0.903 274 R CB 0.925 31.058 30.300 -0.279 0.000 1.177 274 R HN 0.387 nan 8.270 nan 0.000 0.455 275 F N 2.053 121.985 119.950 -0.030 0.000 2.596 275 F HA 0.463 4.990 4.527 -0.000 0.000 0.311 275 F C -1.638 174.096 175.800 -0.109 0.000 1.116 275 F CA -0.656 57.321 58.000 -0.038 0.000 0.957 275 F CB 2.124 41.169 39.000 0.074 0.000 1.250 275 F HN 0.389 nan 8.300 nan 0.000 0.444 276 N N 4.612 122.574 118.700 -1.230 0.000 2.371 276 N HA 0.550 5.290 4.740 -0.000 0.000 0.291 276 N C -2.066 172.408 175.510 -1.728 0.000 1.053 276 N CA -0.613 51.698 53.050 -1.233 0.000 0.870 276 N CB 2.351 40.325 38.487 -0.854 0.000 1.503 276 N HN 0.586 nan 8.380 nan 0.000 0.485 277 L N 2.681 123.125 121.223 -1.298 0.000 2.289 277 L HA 0.661 5.001 4.340 -0.000 0.000 0.285 277 L C -1.621 174.693 176.870 -0.927 0.000 1.049 277 L CA -0.157 54.165 54.840 -0.864 0.000 0.804 277 L CB 0.185 42.103 42.059 -0.235 0.000 1.195 277 L HN 0.458 nan 8.230 nan 0.000 0.428 278 F N 5.955 125.667 119.950 -0.397 0.000 2.552 278 F HA 0.526 5.053 4.527 -0.000 0.000 0.369 278 F C -2.171 173.580 175.800 -0.081 0.000 1.112 278 F CA -1.979 55.881 58.000 -0.233 0.000 1.129 278 F CB 0.777 39.611 39.000 -0.276 0.000 1.360 278 F HN 0.414 nan 8.300 nan 0.000 0.473 279 P HA 0.254 nan 4.420 nan 0.000 0.274 279 P C 0.133 177.491 177.300 0.097 0.000 1.256 279 P CA -0.083 63.060 63.100 0.072 0.000 0.795 279 P CB 0.889 32.614 31.700 0.041 0.000 1.038 280 A N -1.087 121.776 122.820 0.070 0.000 2.783 280 A HA -0.121 4.199 4.320 -0.000 0.000 0.292 280 A C 0.007 177.623 177.584 0.054 0.000 1.495 280 A CA 0.808 52.880 52.037 0.058 0.000 0.787 280 A CB -2.392 16.639 19.000 0.051 0.000 1.017 280 A HN 0.264 nan 8.150 nan 0.000 0.516 281 V N -0.158 119.804 119.914 0.080 0.000 2.376 281 V HA 0.641 4.761 4.120 -0.000 0.000 0.287 281 V C 0.631 176.738 176.094 0.022 0.000 1.015 281 V CA -0.320 62.026 62.300 0.076 0.000 0.834 281 V CB 1.476 33.427 31.823 0.214 0.000 1.001 281 V HN 1.415 nan 8.190 nan 0.000 0.428 282 A N 4.423 127.234 122.820 -0.016 0.000 2.396 282 A HA 0.397 4.717 4.320 -0.000 0.000 0.279 282 A C 0.210 177.771 177.584 -0.038 0.000 1.165 282 A CA -0.128 51.891 52.037 -0.031 0.000 0.824 282 A CB -0.216 18.815 19.000 0.051 0.000 1.100 282 A HN 0.870 nan 8.150 nan 0.000 0.516 283 C N 3.040 122.294 119.300 -0.077 0.000 2.394 283 C HA 0.317 4.777 4.460 -0.000 0.000 0.362 283 C C 1.408 176.365 174.990 -0.054 0.000 1.268 283 C CA -0.268 58.689 59.018 -0.102 0.000 1.828 283 C CB -0.398 27.274 27.740 -0.113 0.000 2.442 283 C HN 1.020 nan 8.230 nan 0.000 0.549 284 E N 1.103 121.300 120.200 -0.006 0.000 2.256 284 E HA 0.096 4.446 4.350 -0.000 0.000 0.198 284 E C 0.393 176.990 176.600 -0.005 0.000 0.908 284 E CA 0.403 56.825 56.400 0.036 0.000 0.915 284 E CB 0.458 30.258 29.700 0.168 0.000 0.890 284 E HN 0.784 nan 8.360 nan 0.000 0.484 285 R N -0.299 120.202 120.500 0.002 0.000 2.709 285 R HA 0.381 4.721 4.340 -0.000 0.000 0.270 285 R C -0.881 175.389 176.300 -0.049 0.000 1.038 285 R CA -0.814 55.264 56.100 -0.037 0.000 0.872 285 R CB 0.859 31.127 30.300 -0.053 0.000 1.259 285 R HN -0.072 nan 8.270 nan 0.000 0.473 286 V N -0.716 119.149 119.914 -0.081 0.000 2.617 286 V HA 0.696 4.816 4.120 -0.000 0.000 0.298 286 V C -0.012 176.019 176.094 -0.104 0.000 1.048 286 V CA -0.849 61.365 62.300 -0.142 0.000 0.964 286 V CB 1.742 33.430 31.823 -0.224 0.000 1.004 286 V HN 0.506 nan 8.190 nan 0.000 0.466 287 V N 4.766 124.603 119.914 -0.129 0.000 2.370 287 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 287 V C 0.526 176.590 176.094 -0.050 0.000 1.029 287 V CA -0.502 61.751 62.300 -0.079 0.000 0.870 287 V CB 0.840 32.630 31.823 -0.055 0.000 0.984 287 V HN 0.943 nan 8.190 nan 0.000 0.451 288 R N 3.563 124.052 120.500 -0.019 0.000 2.459 288 R HA 0.341 4.681 4.340 -0.000 0.000 0.281 288 R C 0.283 176.622 176.300 0.065 0.000 1.050 288 R CA -0.593 55.559 56.100 0.086 0.000 1.055 288 R CB 0.722 31.054 30.300 0.053 0.000 1.045 288 R HN 0.870 nan 8.270 nan 0.000 0.495 289 N N 1.223 119.984 118.700 0.101 0.000 2.379 289 N HA 0.054 4.794 4.740 -0.000 0.000 0.260 289 N C 0.575 176.094 175.510 0.015 0.000 1.254 289 N CA -0.019 53.057 53.050 0.044 0.000 0.958 289 N CB 0.362 38.874 38.487 0.043 0.000 1.208 289 N HN 0.540 nan 8.380 nan 0.000 0.532 290 A N -0.007 122.812 122.820 -0.002 0.000 1.940 290 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 290 A C 2.019 179.586 177.584 -0.029 0.000 1.176 290 A CA 1.156 53.184 52.037 -0.015 0.000 0.631 290 A CB -0.876 18.116 19.000 -0.013 0.000 0.814 290 A HN 0.623 nan 8.150 nan 0.000 0.446 291 L N -0.532 120.666 121.223 -0.042 0.000 2.611 291 L HA 0.077 4.417 4.340 -0.000 0.000 0.229 291 L C -0.068 176.723 176.870 -0.131 0.000 1.137 291 L CA -0.261 54.538 54.840 -0.070 0.000 0.901 291 L CB -0.472 41.548 42.059 -0.064 0.000 1.098 291 L HN 0.328 nan 8.230 nan 0.000 0.456 292 N N 0.634 119.255 118.700 -0.132 0.000 2.707 292 N HA -0.199 4.541 4.740 -0.000 0.000 0.253 292 N C 0.978 175.963 175.510 -0.875 0.000 0.998 292 N CA 1.100 53.983 53.050 -0.279 0.000 0.751 292 N CB -0.868 37.574 38.487 -0.075 0.000 0.920 292 N HN 0.577 nan 8.380 nan 0.000 0.539 293 S N -1.768 113.563 115.700 -0.614 0.000 2.559 293 S HA 0.144 4.614 4.470 -0.000 0.000 0.226 293 S C 0.389 174.780 174.600 -0.348 0.000 1.030 293 S CA -0.010 57.853 58.200 -0.561 0.000 0.956 293 S CB 1.030 64.093 63.200 -0.230 0.000 0.900 293 S HN 0.578 nan 8.310 nan 0.000 0.510 294 E N 0.238 120.389 120.200 -0.082 0.000 2.407 294 E HA 0.476 4.826 4.350 -0.000 0.000 0.279 294 E C -1.629 175.193 176.600 0.370 0.000 1.012 294 E CA -1.098 55.456 56.400 0.256 0.000 0.800 294 E CB 0.768 30.577 29.700 0.181 0.000 1.276 294 E HN -0.015 nan 8.360 nan 0.000 0.452 295 I N 2.371 123.115 120.570 0.290 0.000 2.472 295 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 295 I C 1.032 177.136 176.117 -0.022 0.000 1.016 295 I CA -0.197 61.098 61.300 -0.009 0.000 1.348 295 I CB 1.139 38.881 38.000 -0.429 0.000 1.417 295 I HN 0.724 nan 8.210 nan 0.000 0.521 296 E N 2.784 122.945 120.200 -0.065 0.000 2.251 296 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 296 E C 0.348 176.986 176.600 0.064 0.000 0.964 296 E CA 0.477 56.899 56.400 0.038 0.000 0.868 296 E CB 0.490 30.210 29.700 0.033 0.000 0.828 296 E HN 0.745 nan 8.360 nan 0.000 0.481 297 S N -0.818 114.823 115.700 -0.099 0.000 2.636 297 S HA 0.486 4.956 4.470 -0.000 0.000 0.266 297 S C -1.578 172.938 174.600 -0.139 0.000 1.147 297 S CA -1.045 57.165 58.200 0.018 0.000 0.815 297 S CB 1.056 64.303 63.200 0.079 0.000 1.119 297 S HN 0.009 nan 8.310 nan 0.000 0.470 298 L N 1.774 123.022 121.223 0.042 0.000 2.333 298 L HA 0.697 5.037 4.340 -0.000 0.000 0.280 298 L C -0.814 176.048 176.870 -0.014 0.000 1.004 298 L CA -0.183 54.648 54.840 -0.015 0.000 0.820 298 L CB 1.455 43.533 42.059 0.032 0.000 1.247 298 L HN 1.013 nan 8.230 nan 0.000 0.416 299 H N 5.229 124.241 119.070 -0.097 0.000 2.517 299 H HA 0.648 5.204 4.556 -0.000 0.000 0.317 299 H C -0.548 174.718 175.328 -0.103 0.000 1.080 299 H CA -0.326 55.675 56.048 -0.079 0.000 1.301 299 H CB 0.831 30.552 29.762 -0.069 0.000 1.425 299 H HN 0.675 nan 8.280 nan 0.000 0.471 300 I N 1.521 121.796 120.570 -0.491 0.000 2.957 300 I HA 0.448 4.618 4.170 -0.000 0.000 0.310 300 I C -1.263 174.709 176.117 -0.242 0.000 1.063 300 I CA -1.001 60.105 61.300 -0.323 0.000 1.033 300 I CB 2.602 40.348 38.000 -0.423 0.000 1.230 300 I HN 0.687 nan 8.210 nan 0.000 0.447 301 H N 2.500 121.472 119.070 -0.164 0.000 3.013 301 H HA 0.228 4.784 4.556 -0.000 0.000 0.326 301 H C -1.574 173.758 175.328 0.005 0.000 0.973 301 H CA -0.693 55.309 56.048 -0.077 0.000 1.369 301 H CB 1.431 31.184 29.762 -0.015 0.000 1.598 301 H HN 0.788 nan 8.280 nan 0.000 0.518 302 D N 5.445 125.856 120.400 0.018 0.000 2.346 302 D HA 0.003 4.643 4.640 -0.000 0.000 0.260 302 D C 1.098 177.244 176.300 -0.258 0.000 1.252 302 D CA -0.075 53.905 54.000 -0.034 0.000 0.895 302 D CB 0.908 41.791 40.800 0.138 0.000 1.097 302 D HN 0.651 nan 8.370 nan 0.000 0.489 303 L N 4.060 125.137 121.223 -0.244 0.000 2.291 303 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 303 L C 1.805 178.612 176.870 -0.104 0.000 1.120 303 L CA 0.253 54.942 54.840 -0.251 0.000 0.799 303 L CB -0.144 41.856 42.059 -0.097 0.000 0.925 303 L HN 0.527 nan 8.230 nan 0.000 0.446 304 I N -0.571 119.976 120.570 -0.038 0.000 2.339 304 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 304 I C 2.715 178.839 176.117 0.013 0.000 1.096 304 I CA 1.552 62.853 61.300 0.002 0.000 1.408 304 I CB -1.229 36.787 38.000 0.028 0.000 1.092 304 I HN 0.268 nan 8.210 nan 0.000 0.423 305 S N 0.369 116.086 115.700 0.028 0.000 2.446 305 S HA 0.149 4.619 4.470 -0.000 0.000 0.225 305 S C 1.867 176.490 174.600 0.039 0.000 1.016 305 S CA 0.754 58.981 58.200 0.044 0.000 0.943 305 S CB 0.046 63.294 63.200 0.081 0.000 0.786 305 S HN 0.566 nan 8.310 nan 0.000 0.508 306 G N 1.223 110.043 108.800 0.033 0.000 2.199 306 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.254 306 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 306 G C -0.381 174.606 174.900 0.144 0.000 0.982 306 G CA 0.151 45.325 45.100 0.123 0.000 0.632 306 G HN 0.553 nan 8.290 nan 0.000 0.529 307 D N 0.800 121.224 120.400 0.041 0.000 2.399 307 D HA 0.440 5.080 4.640 -0.000 0.000 0.241 307 D C 1.029 177.222 176.300 -0.179 0.000 1.133 307 D CA 0.374 54.288 54.000 -0.144 0.000 0.890 307 D CB 0.519 41.172 40.800 -0.244 0.000 1.201 307 D HN 0.464 nan 8.370 nan 0.000 0.432 308 R N 1.248 121.485 120.500 -0.437 0.000 2.589 308 R HA 0.624 4.964 4.340 -0.000 0.000 0.293 308 R C -0.670 175.146 176.300 -0.806 0.000 0.963 308 R CA -0.696 55.142 56.100 -0.436 0.000 0.905 308 R CB 1.323 31.468 30.300 -0.259 0.000 1.144 308 R HN 0.281 nan 8.270 nan 0.000 0.459 309 F N -0.081 119.707 119.950 -0.270 0.000 2.613 309 F HA 0.341 4.868 4.527 0.000 0.000 0.314 309 F C 0.141 175.803 175.800 -0.230 0.000 1.075 309 F CA -1.071 56.815 58.000 -0.191 0.000 0.945 309 F CB 1.837 40.742 39.000 -0.157 0.000 1.310 309 F HN 0.146 nan 8.300 nan 0.000 0.467 310 E N 2.480 122.746 120.200 0.110 0.000 2.133 310 E HA 0.388 4.738 4.350 -0.000 0.000 0.274 310 E C -0.850 175.809 176.600 0.099 0.000 0.930 310 E CA -0.436 56.017 56.400 0.089 0.000 0.770 310 E CB 2.028 31.795 29.700 0.112 0.000 1.104 310 E HN 0.277 nan 8.360 nan 0.000 0.403 311 I N 2.563 123.173 120.570 0.067 0.000 2.392 311 I HA 0.253 4.423 4.170 -0.000 0.000 0.295 311 I C 0.289 176.531 176.117 0.209 0.000 0.985 311 I CA -0.978 60.390 61.300 0.113 0.000 1.221 311 I CB 1.222 39.244 38.000 0.037 0.000 1.366 311 I HN 0.212 nan 8.210 nan 0.000 0.467 312 K N 4.943 125.468 120.400 0.209 0.000 2.274 312 K HA 0.815 5.135 4.320 -0.000 0.000 0.262 312 K C -1.095 175.587 176.600 0.137 0.000 0.961 312 K CA -0.344 56.072 56.287 0.214 0.000 0.833 312 K CB 1.542 34.124 32.500 0.136 0.000 1.102 312 K HN 0.779 nan 8.250 nan 0.000 0.436 313 A N 2.845 125.649 122.820 -0.027 0.000 2.532 313 A HA 0.442 4.762 4.320 -0.000 0.000 0.290 313 A C -0.315 177.100 177.584 -0.281 0.000 1.143 313 A CA -0.623 51.260 52.037 -0.256 0.000 0.728 313 A CB 0.939 19.609 19.000 -0.550 0.000 1.317 313 A HN 0.729 nan 8.150 nan 0.000 0.414 314 D N -0.594 119.694 120.400 -0.187 0.000 2.183 314 D HA 0.099 4.739 4.640 -0.000 0.000 0.203 314 D C 0.242 176.373 176.300 -0.282 0.000 0.969 314 D CA 1.661 55.609 54.000 -0.086 0.000 0.842 314 D CB 0.208 41.035 40.800 0.045 0.000 0.957 314 D HN 0.209 nan 8.370 nan 0.000 0.484 315 V N 0.508 120.103 119.914 -0.532 0.000 2.638 315 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 315 V C -1.316 174.475 176.094 -0.506 0.000 1.052 315 V CA -0.888 61.112 62.300 -0.500 0.000 0.885 315 V CB 1.961 33.391 31.823 -0.655 0.000 0.999 315 V HN -0.068 nan 8.190 nan 0.000 0.424 316 Y N 2.732 123.008 120.300 -0.040 0.000 2.331 316 Y HA 0.695 5.245 4.550 0.000 0.000 0.334 316 Y C -0.182 175.682 175.900 -0.060 0.000 0.960 316 Y CA -0.924 57.146 58.100 -0.049 0.000 1.130 316 Y CB 2.189 40.626 38.460 -0.038 0.000 1.164 316 Y HN 0.368 nan 8.280 nan 0.000 0.458 317 V N 5.533 125.418 119.914 -0.047 0.000 2.409 317 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 317 V C -0.445 175.519 176.094 -0.217 0.000 1.020 317 V CA -0.890 61.268 62.300 -0.236 0.000 0.848 317 V CB 1.650 33.108 31.823 -0.609 0.000 0.990 317 V HN 0.598 nan 8.190 nan 0.000 0.430 318 L N 5.176 126.267 121.223 -0.219 0.000 2.280 318 L HA 0.601 4.941 4.340 -0.000 0.000 0.287 318 L C 0.260 177.024 176.870 -0.176 0.000 1.023 318 L CA -0.195 54.536 54.840 -0.181 0.000 0.819 318 L CB 1.659 43.593 42.059 -0.209 0.000 1.212 318 L HN 0.820 nan 8.230 nan 0.000 0.420 319 T N -1.532 112.953 114.554 -0.115 0.000 3.741 319 T HA 0.373 4.723 4.350 -0.000 0.000 0.242 319 T C 0.516 175.216 174.700 -0.000 0.000 1.042 319 T CA -0.153 61.918 62.100 -0.049 0.000 1.278 319 T CB 1.001 69.838 68.868 -0.053 0.000 0.994 319 T HN 0.541 nan 8.240 nan 0.000 0.594 320 A N 0.767 123.596 122.820 0.015 0.000 2.379 320 A HA 0.796 5.116 4.320 -0.000 0.000 0.236 320 A C 1.363 179.015 177.584 0.113 0.000 1.272 320 A CA 0.069 52.135 52.037 0.049 0.000 0.886 320 A CB -0.699 18.324 19.000 0.038 0.000 0.962 320 A HN 1.781 nan 8.150 nan 0.000 0.504 321 G N -2.439 106.429 108.800 0.114 0.000 2.662 321 G HA2 0.268 4.228 3.960 -0.000 0.000 0.686 321 G HA3 0.268 4.228 3.960 -0.000 0.000 0.686 321 G C 0.749 175.748 174.900 0.166 0.000 1.271 321 G CA -0.308 44.872 45.100 0.135 0.000 0.816 321 G HN 1.263 nan 8.290 nan 0.000 0.608 322 A N -0.416 122.491 122.820 0.146 0.000 1.902 322 A HA 0.222 4.542 4.320 -0.000 0.000 0.217 322 A C 2.674 180.347 177.584 0.149 0.000 1.181 322 A CA 3.183 55.309 52.037 0.148 0.000 0.623 322 A CB -0.419 18.637 19.000 0.093 0.000 0.818 322 A HN 1.592 nan 8.150 nan 0.000 0.443 323 V N -0.751 119.200 119.914 0.061 0.000 2.323 323 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 323 V C 2.258 178.334 176.094 -0.030 0.000 1.041 323 V CA 2.240 64.526 62.300 -0.024 0.000 1.025 323 V CB -1.040 30.647 31.823 -0.226 0.000 0.656 323 V HN 0.742 nan 8.190 nan 0.000 0.451 324 H N -0.283 118.855 119.070 0.112 0.000 2.470 324 H HA -0.027 4.529 4.556 -0.000 0.000 0.289 324 H C 2.290 177.609 175.328 -0.016 0.000 1.033 324 H CA 1.029 57.097 56.048 0.034 0.000 1.331 324 H CB 0.048 29.810 29.762 -0.000 0.000 1.414 324 H HN 0.323 nan 8.280 nan 0.000 0.545 325 N N -0.052 118.711 118.700 0.106 0.000 2.069 325 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 325 N C 1.773 177.256 175.510 -0.046 0.000 1.031 325 N CA 1.825 54.867 53.050 -0.014 0.000 0.852 325 N CB -0.519 37.923 38.487 -0.075 0.000 1.018 325 N HN 0.336 nan 8.380 nan 0.000 0.423 326 T N 0.864 115.463 114.554 0.075 0.000 2.746 326 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 326 T C 1.863 176.449 174.700 -0.190 0.000 1.039 326 T CA 1.121 63.268 62.100 0.079 0.000 1.142 326 T CB -0.246 68.803 68.868 0.303 0.000 0.866 326 T HN 0.345 nan 8.240 nan 0.000 0.444 327 Q N 0.110 119.687 119.800 -0.371 0.000 2.061 327 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 327 Q C 2.296 178.030 176.000 -0.442 0.000 0.984 327 Q CA 1.200 56.475 55.803 -0.880 0.000 0.846 327 Q CB -0.242 28.243 28.738 -0.422 0.000 0.902 327 Q HN 0.348 nan 8.270 nan 0.000 0.421 328 L N 0.647 121.740 121.223 -0.218 0.000 2.056 328 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 328 L C 1.975 178.757 176.870 -0.146 0.000 1.078 328 L CA 1.561 56.308 54.840 -0.155 0.000 0.749 328 L CB -0.872 41.118 42.059 -0.115 0.000 0.901 328 L HN 0.328 nan 8.230 nan 0.000 0.433 329 L N -1.602 119.517 121.223 -0.175 0.000 2.017 329 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 329 L C 2.475 179.375 176.870 0.050 0.000 1.073 329 L CA 1.085 55.848 54.840 -0.129 0.000 0.745 329 L CB -0.716 41.167 42.059 -0.293 0.000 0.894 329 L HN 0.081 nan 8.230 nan 0.000 0.432 330 V N -0.039 119.836 119.914 -0.066 0.000 2.407 330 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 330 V C 2.123 178.193 176.094 -0.041 0.000 1.055 330 V CA 2.020 64.304 62.300 -0.027 0.000 1.049 330 V CB -0.741 31.025 31.823 -0.094 0.000 0.662 330 V HN 0.481 nan 8.190 nan 0.000 0.455 331 N N 0.032 118.666 118.700 -0.110 0.000 2.453 331 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 331 N C 1.651 177.133 175.510 -0.046 0.000 1.041 331 N CA 1.228 54.230 53.050 -0.080 0.000 0.900 331 N CB -0.069 38.357 38.487 -0.102 0.000 0.961 331 N HN 0.414 nan 8.380 nan 0.000 0.443 332 S N -1.716 113.985 115.700 0.002 0.000 2.535 332 S HA 0.301 4.771 4.470 -0.000 0.000 0.214 332 S C 1.124 175.692 174.600 -0.053 0.000 0.980 332 S CA 0.368 58.578 58.200 0.017 0.000 0.907 332 S CB 0.616 63.898 63.200 0.136 0.000 0.790 332 S HN 0.541 nan 8.310 nan 0.000 0.510 333 G N 0.942 109.714 108.800 -0.046 0.000 2.148 333 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.203 333 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.203 333 G C -0.109 174.656 174.900 -0.225 0.000 0.993 333 G CA -0.639 44.377 45.100 -0.141 0.000 0.661 333 G HN 0.382 nan 8.290 nan 0.000 0.518 334 F N 0.831 120.749 119.950 -0.054 0.000 2.377 334 F HA 0.576 5.103 4.527 -0.000 0.000 0.328 334 F C 1.617 177.424 175.800 0.011 0.000 1.094 334 F CA 0.869 58.851 58.000 -0.030 0.000 1.093 334 F CB 1.035 39.990 39.000 -0.076 0.000 1.214 334 F HN 0.724 nan 8.300 nan 0.000 0.518 335 G N 1.872 110.812 108.800 0.233 0.000 2.594 335 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.297 335 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.297 335 G C -0.770 174.202 174.900 0.118 0.000 1.273 335 G CA 0.353 45.556 45.100 0.172 0.000 0.974 335 G HN 0.991 nan 8.290 nan 0.000 0.552 336 Q N -1.313 118.563 119.800 0.127 0.000 2.345 336 Q HA 0.692 5.032 4.340 -0.000 0.000 0.275 336 Q C -1.222 174.866 176.000 0.146 0.000 1.063 336 Q CA -1.153 54.709 55.803 0.098 0.000 0.819 336 Q CB 2.063 30.835 28.738 0.057 0.000 1.356 336 Q HN 0.941 nan 8.270 nan 0.000 0.418 337 L N 2.203 123.502 121.223 0.126 0.000 2.395 337 L HA 0.725 5.065 4.340 -0.000 0.000 0.269 337 L C 0.455 177.419 176.870 0.156 0.000 1.133 337 L CA 2.226 57.170 54.840 0.174 0.000 0.812 337 L CB 0.931 43.060 42.059 0.117 0.000 1.125 337 L HN 0.986 nan 8.230 nan 0.000 0.452 338 G N 3.475 112.427 108.800 0.255 0.000 2.712 338 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.683 338 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.683 338 G C -0.488 174.321 174.900 -0.152 0.000 1.320 338 G CA -0.322 44.880 45.100 0.170 0.000 0.847 338 G HN 0.876 nan 8.290 nan 0.000 0.553 339 R N 0.633 120.801 120.500 -0.552 0.000 2.585 339 R HA 0.332 4.672 4.340 -0.000 0.000 0.275 339 R C -1.906 173.958 176.300 -0.725 0.000 1.018 339 R CA -0.502 54.809 56.100 -1.315 0.000 1.072 339 R CB 0.065 29.870 30.300 -0.825 0.000 0.953 339 R HN 0.350 nan 8.270 nan 0.000 0.419 340 P HA 0.021 nan 4.420 nan 0.000 0.271 340 P C -1.311 175.838 177.300 -0.252 0.000 1.220 340 P CA 0.077 62.952 63.100 -0.376 0.000 0.768 340 P CB 0.521 32.027 31.700 -0.324 0.000 0.848 341 N N 3.938 122.546 118.700 -0.154 0.000 2.448 341 N HA 0.198 4.938 4.740 -0.000 0.000 0.279 341 N C -1.912 173.558 175.510 -0.068 0.000 1.025 341 N CA -2.091 50.896 53.050 -0.106 0.000 0.898 341 N CB 1.899 40.333 38.487 -0.087 0.000 1.303 341 N HN 0.158 nan 8.380 nan 0.000 0.495 342 P HA 0.016 nan 4.420 nan 0.000 0.224 342 P C 0.953 178.239 177.300 -0.024 0.000 1.157 342 P CA 0.495 63.574 63.100 -0.036 0.000 0.799 342 P CB 0.243 31.921 31.700 -0.036 0.000 0.809 343 A N -0.317 122.486 122.820 -0.028 0.000 2.178 343 A HA -0.106 4.215 4.320 -0.000 0.000 0.218 343 A C 1.481 179.054 177.584 -0.019 0.000 1.157 343 A CA 0.988 53.012 52.037 -0.021 0.000 0.689 343 A CB -0.933 18.053 19.000 -0.024 0.000 0.787 343 A HN 0.176 nan 8.150 nan 0.000 0.465 344 N N 0.065 118.752 118.700 -0.022 0.000 2.733 344 N HA 0.232 4.972 4.740 -0.000 0.000 0.271 344 N C -3.286 172.218 175.510 -0.010 0.000 1.720 344 N CA -1.015 52.025 53.050 -0.017 0.000 0.803 344 N CB 1.036 39.509 38.487 -0.024 0.000 1.208 344 N HN 0.065 nan 8.380 nan 0.000 0.498 345 P HA 0.248 nan 4.420 nan 0.000 0.275 345 P C -2.396 174.914 177.300 0.018 0.000 1.227 345 P CA -0.787 62.320 63.100 0.012 0.000 0.781 345 P CB 0.227 31.938 31.700 0.017 0.000 0.906 346 P HA 0.139 nan 4.420 nan 0.000 0.274 346 P C 0.653 177.975 177.300 0.037 0.000 1.231 346 P CA -0.133 62.987 63.100 0.034 0.000 0.790 346 P CB 1.233 32.967 31.700 0.056 0.000 0.951 347 E N 0.325 120.539 120.200 0.023 0.000 2.106 347 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 347 E C 0.163 176.793 176.600 0.049 0.000 0.984 347 E CA 0.692 57.106 56.400 0.023 0.000 0.806 347 E CB 0.057 29.759 29.700 0.002 0.000 0.750 347 E HN 0.398 nan 8.360 nan 0.000 0.458 348 L N 1.344 122.603 121.223 0.061 0.000 2.322 348 L HA 0.264 4.604 4.340 -0.000 0.000 0.281 348 L C 0.001 176.991 176.870 0.201 0.000 1.014 348 L CA -0.626 54.291 54.840 0.128 0.000 0.815 348 L CB 1.596 43.684 42.059 0.047 0.000 1.247 348 L HN 0.165 nan 8.230 nan 0.000 0.421 349 L N 4.253 125.617 121.223 0.236 0.000 3.746 349 L HA -0.176 4.164 4.340 -0.000 0.000 0.542 349 L C -1.425 175.557 176.870 0.187 0.000 1.268 349 L CA -0.477 54.506 54.840 0.238 0.000 0.818 349 L CB -0.777 41.460 42.059 0.297 0.000 1.472 349 L HN 0.599 nan 8.230 nan 0.000 0.843 350 P HA -0.104 nan 4.420 nan 0.000 0.228 350 P C 1.197 178.592 177.300 0.159 0.000 1.151 350 P CA 0.995 64.172 63.100 0.129 0.000 0.770 350 P CB 0.327 32.083 31.700 0.095 0.000 0.786 351 S N -0.613 115.199 115.700 0.187 0.000 2.558 351 S HA 0.057 4.527 4.470 -0.000 0.000 0.217 351 S C 0.850 175.607 174.600 0.260 0.000 0.975 351 S CA -0.393 57.961 58.200 0.256 0.000 0.912 351 S CB -0.652 62.690 63.200 0.236 0.000 0.776 351 S HN 0.081 nan 8.310 nan 0.000 0.526 352 L N 2.471 123.826 121.223 0.220 0.000 2.540 352 L HA 0.360 4.700 4.340 -0.000 0.000 0.276 352 L C 1.225 178.233 176.870 0.231 0.000 1.212 352 L CA 1.138 56.110 54.840 0.220 0.000 0.893 352 L CB -0.404 41.773 42.059 0.198 0.000 1.138 352 L HN 0.361 nan 8.230 nan 0.000 0.491 353 G N 2.465 111.409 108.800 0.241 0.000 2.168 353 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.263 353 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.263 353 G C 0.489 175.511 174.900 0.203 0.000 0.977 353 G CA 0.470 45.709 45.100 0.231 0.000 0.659 353 G HN 0.813 nan 8.290 nan 0.000 0.533 354 S N -1.550 114.280 115.700 0.217 0.000 2.681 354 S HA 0.644 5.114 4.470 -0.000 0.000 0.299 354 S C 0.360 175.122 174.600 0.271 0.000 1.113 354 S CA 0.103 58.385 58.200 0.136 0.000 1.013 354 S CB 0.808 64.020 63.200 0.020 0.000 1.076 354 S HN 0.911 nan 8.310 nan 0.000 0.534 355 Y N -0.946 119.429 120.300 0.125 0.000 4.032 355 Y HA -0.187 4.363 4.550 0.000 0.000 0.230 355 Y C 0.402 176.390 175.900 0.147 0.000 1.202 355 Y CA 0.133 58.306 58.100 0.121 0.000 1.878 355 Y CB -2.162 36.363 38.460 0.108 0.000 1.586 355 Y HN 0.602 nan 8.280 nan 0.000 0.673 356 I N -0.209 120.515 120.570 0.257 0.000 2.575 356 I HA 0.575 4.745 4.170 -0.000 0.000 0.285 356 I C 0.610 176.888 176.117 0.268 0.000 1.085 356 I CA 0.304 61.751 61.300 0.246 0.000 1.403 356 I CB 1.451 39.592 38.000 0.236 0.000 1.409 356 I HN 0.200 nan 8.210 nan 0.000 0.557 357 T N 1.791 116.463 114.554 0.196 0.000 2.893 357 T HA 0.690 5.040 4.350 -0.000 0.000 0.291 357 T C -0.699 174.025 174.700 0.040 0.000 1.028 357 T CA -0.692 61.508 62.100 0.167 0.000 0.995 357 T CB 2.148 71.073 68.868 0.096 0.000 1.051 357 T HN 0.821 nan 8.240 nan 0.000 0.470 358 E N 1.010 121.220 120.200 0.017 0.000 2.331 358 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 358 E C -1.079 175.634 176.600 0.187 0.000 0.895 358 E CA -0.553 55.836 56.400 -0.017 0.000 0.753 358 E CB 1.953 31.467 29.700 -0.310 0.000 1.216 358 E HN 0.702 nan 8.360 nan 0.000 0.434 359 Q N 1.270 121.185 119.800 0.191 0.000 2.352 359 Q HA 0.341 4.681 4.340 -0.000 0.000 0.260 359 Q C -0.302 175.896 176.000 0.331 0.000 0.976 359 Q CA -0.101 55.865 55.803 0.271 0.000 0.881 359 Q CB 1.035 29.983 28.738 0.349 0.000 1.235 359 Q HN 0.428 nan 8.270 nan 0.000 0.419 360 S N 1.491 117.328 115.700 0.228 0.000 2.572 360 S HA 0.284 4.754 4.470 -0.000 0.000 0.279 360 S C -0.641 174.022 174.600 0.104 0.000 1.341 360 S CA -0.390 57.838 58.200 0.047 0.000 1.043 360 S CB 0.312 63.459 63.200 -0.088 0.000 0.887 360 S HN 0.381 nan 8.310 nan 0.000 0.516 361 L N 4.977 126.229 121.223 0.048 0.000 2.441 361 L HA 0.645 4.985 4.340 -0.000 0.000 0.270 361 L C -0.796 175.952 176.870 -0.204 0.000 0.973 361 L CA -0.609 54.166 54.840 -0.108 0.000 0.842 361 L CB 1.484 43.477 42.059 -0.110 0.000 1.239 361 L HN 0.442 nan 8.230 nan 0.000 0.406 362 V N 2.125 121.835 119.914 -0.340 0.000 2.769 362 V HA 0.772 4.892 4.120 -0.000 0.000 0.312 362 V C -0.938 175.047 176.094 -0.182 0.000 1.058 362 V CA -0.651 61.377 62.300 -0.453 0.000 0.952 362 V CB 1.705 33.058 31.823 -0.782 0.000 1.019 362 V HN 0.802 nan 8.190 nan 0.000 0.445 363 F N 4.294 124.055 119.950 -0.315 0.000 2.619 363 F HA 0.852 5.379 4.527 -0.000 0.000 0.308 363 F C -0.388 175.299 175.800 -0.188 0.000 1.097 363 F CA -0.060 57.834 58.000 -0.178 0.000 0.953 363 F CB 1.533 40.467 39.000 -0.110 0.000 1.287 363 F HN 1.215 nan 8.300 nan 0.000 0.446 364 C N 2.425 121.049 119.300 -1.126 0.000 3.314 364 C HA 0.799 5.259 4.460 -0.000 0.000 0.344 364 C C -1.797 172.603 174.990 -0.984 0.000 1.461 364 C CA -0.687 57.718 59.018 -1.021 0.000 1.249 364 C CB 1.728 29.127 27.740 -0.568 0.000 1.632 364 C HN 0.964 nan 8.230 nan 0.000 0.452 365 Q N 0.546 120.067 119.800 -0.466 0.000 2.397 365 Q HA 0.727 5.067 4.340 -0.000 0.000 0.275 365 Q C -0.718 175.304 176.000 0.038 0.000 1.090 365 Q CA -0.173 55.542 55.803 -0.146 0.000 0.809 365 Q CB 2.748 31.401 28.738 -0.141 0.000 1.362 365 Q HN 0.948 nan 8.270 nan 0.000 0.431 366 T N -2.338 112.304 114.554 0.147 0.000 2.912 366 T HA 0.692 5.042 4.350 -0.000 0.000 0.288 366 T C -0.427 174.321 174.700 0.081 0.000 1.030 366 T CA -0.696 61.462 62.100 0.095 0.000 1.020 366 T CB 1.270 70.189 68.868 0.085 0.000 1.056 366 T HN 0.253 nan 8.240 nan 0.000 0.480 367 V N 3.109 123.040 119.914 0.028 0.000 2.394 367 V HA 0.401 4.521 4.120 -0.000 0.000 0.282 367 V C 0.407 176.506 176.094 0.009 0.000 1.031 367 V CA -0.920 61.392 62.300 0.019 0.000 0.881 367 V CB 1.131 32.959 31.823 0.008 0.000 0.982 367 V HN 1.026 nan 8.190 nan 0.000 0.451 368 M N 4.751 124.364 119.600 0.022 0.000 2.250 368 M HA 0.145 4.625 4.480 -0.000 0.000 0.337 368 M C 0.795 177.096 176.300 0.003 0.000 1.161 368 M CA 0.663 55.977 55.300 0.024 0.000 1.088 368 M CB 0.742 33.355 32.600 0.022 0.000 1.639 368 M HN 0.908 nan 8.290 nan 0.000 0.447 369 S N 2.322 118.021 115.700 -0.002 0.000 2.576 369 S HA 0.151 4.621 4.470 -0.000 0.000 0.276 369 S C 0.969 175.567 174.600 -0.003 0.000 1.339 369 S CA -0.215 57.975 58.200 -0.016 0.000 1.039 369 S CB 0.629 63.813 63.200 -0.026 0.000 0.902 369 S HN 0.810 nan 8.310 nan 0.000 0.516 370 T N 1.976 116.526 114.554 -0.007 0.000 2.653 370 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 370 T C 1.585 176.289 174.700 0.008 0.000 1.035 370 T CA 2.051 64.152 62.100 0.001 0.000 1.154 370 T CB -0.605 68.260 68.868 -0.003 0.000 0.862 370 T HN 0.788 nan 8.240 nan 0.000 0.441 371 E N 0.567 120.767 120.200 0.001 0.000 2.049 371 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 371 E C 2.277 178.891 176.600 0.023 0.000 1.007 371 E CA 1.137 57.541 56.400 0.007 0.000 0.809 371 E CB -0.330 29.367 29.700 -0.005 0.000 0.749 371 E HN 0.429 nan 8.360 nan 0.000 0.450 372 L N 0.624 121.863 121.223 0.026 0.000 2.056 372 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 372 L C 2.435 179.341 176.870 0.060 0.000 1.078 372 L CA 0.469 55.339 54.840 0.049 0.000 0.749 372 L CB -0.308 41.780 42.059 0.047 0.000 0.901 372 L HN 0.213 nan 8.230 nan 0.000 0.433 373 I N 0.064 120.658 120.570 0.040 0.000 2.208 373 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 373 I C 2.155 178.303 176.117 0.053 0.000 1.097 373 I CA 1.541 62.862 61.300 0.036 0.000 1.363 373 I CB -1.218 36.794 38.000 0.019 0.000 1.051 373 I HN 0.276 nan 8.210 nan 0.000 0.413 374 D N 0.535 120.964 120.400 0.049 0.000 2.178 374 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 374 D C 2.385 178.733 176.300 0.080 0.000 0.980 374 D CA 1.600 55.633 54.000 0.055 0.000 0.842 374 D CB -0.164 40.658 40.800 0.037 0.000 0.948 374 D HN 0.383 nan 8.370 nan 0.000 0.472 375 S N 0.043 115.799 115.700 0.093 0.000 2.419 375 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 375 S C 2.161 176.911 174.600 0.251 0.000 1.016 375 S CA 0.812 59.097 58.200 0.142 0.000 0.974 375 S CB -0.543 62.732 63.200 0.126 0.000 0.786 375 S HN 0.086 nan 8.310 nan 0.000 0.492 376 V N 2.939 122.983 119.914 0.216 0.000 2.392 376 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 376 V C 2.139 178.407 176.094 0.290 0.000 1.059 376 V CA 2.211 64.684 62.300 0.289 0.000 1.051 376 V CB -0.848 31.048 31.823 0.123 0.000 0.658 376 V HN 0.841 nan 8.190 nan 0.000 0.455 377 K N 0.317 120.827 120.400 0.182 0.000 2.576 377 K HA 0.194 4.514 4.320 -0.000 0.000 0.209 377 K C 1.453 178.122 176.600 0.116 0.000 1.049 377 K CA 0.642 57.015 56.287 0.144 0.000 1.140 377 K CB 0.221 32.782 32.500 0.101 0.000 0.871 377 K HN 0.402 nan 8.250 nan 0.000 0.479 378 S N 0.330 116.110 115.700 0.133 0.000 2.447 378 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 378 S C 0.882 175.487 174.600 0.008 0.000 1.006 378 S CA 1.028 59.256 58.200 0.048 0.000 0.957 378 S CB -0.178 63.021 63.200 -0.001 0.000 0.773 378 S HN 0.315 nan 8.310 nan 0.000 0.507 379 D N 0.766 121.182 120.400 0.026 0.000 2.349 379 D HA 0.242 4.882 4.640 -0.000 0.000 0.214 379 D C 0.083 176.424 176.300 0.069 0.000 1.063 379 D CA 0.220 54.226 54.000 0.009 0.000 0.847 379 D CB 0.032 40.816 40.800 -0.027 0.000 0.933 379 D HN 0.372 nan 8.370 nan 0.000 0.513 380 M N 0.499 120.141 119.600 0.069 0.000 2.249 380 M HA 0.210 4.690 4.480 -0.000 0.000 0.351 380 M C 0.317 176.646 176.300 0.049 0.000 1.180 380 M CA 0.046 55.395 55.300 0.081 0.000 1.127 380 M CB 1.014 33.655 32.600 0.068 0.000 1.546 380 M HN -0.323 nan 8.290 nan 0.000 0.461 381 T N 4.568 119.145 114.554 0.039 0.000 2.744 381 T HA 0.639 4.989 4.350 -0.000 0.000 0.291 381 T C 0.182 174.862 174.700 -0.034 0.000 0.957 381 T CA -0.339 61.762 62.100 0.002 0.000 1.002 381 T CB 0.498 69.362 68.868 -0.006 0.000 0.919 381 T HN 0.422 nan 8.240 nan 0.000 0.468 382 I N 3.839 124.387 120.570 -0.036 0.000 2.378 382 I HA 0.534 4.704 4.170 -0.000 0.000 0.291 382 I C 0.365 176.440 176.117 -0.069 0.000 0.992 382 I CA -0.826 60.424 61.300 -0.084 0.000 1.154 382 I CB 1.568 39.556 38.000 -0.019 0.000 1.315 382 I HN 0.319 nan 8.210 nan 0.000 0.448 383 R N 3.220 123.638 120.500 -0.136 0.000 2.771 383 R HA 0.708 5.048 4.340 -0.000 0.000 0.274 383 R C -0.042 176.248 176.300 -0.017 0.000 0.987 383 R CA -0.365 55.698 56.100 -0.061 0.000 0.908 383 R CB 2.391 32.650 30.300 -0.067 0.000 1.213 383 R HN 0.897 nan 8.270 nan 0.000 0.468 384 G N 0.652 109.487 108.800 0.059 0.000 2.593 384 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 384 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 384 G C -0.862 174.168 174.900 0.217 0.000 1.312 384 G CA -0.191 44.982 45.100 0.121 0.000 0.896 384 G HN 0.694 nan 8.290 nan 0.000 0.574 385 T N -0.835 113.855 114.554 0.228 0.000 2.881 385 T HA 0.655 5.005 4.350 -0.000 0.000 0.291 385 T C -2.868 171.831 174.700 -0.001 0.000 0.990 385 T CA -1.283 60.895 62.100 0.129 0.000 0.976 385 T CB 2.465 71.367 68.868 0.056 0.000 0.970 385 T HN 0.524 nan 8.240 nan 0.000 0.438 386 P HA 0.213 nan 4.420 nan 0.000 0.263 386 P C 1.245 178.342 177.300 -0.338 0.000 1.175 386 P CA 1.302 63.968 63.100 -0.724 0.000 0.761 386 P CB 0.098 31.454 31.700 -0.572 0.000 0.794 387 G N 1.137 109.751 108.800 -0.311 0.000 2.155 387 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 387 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 387 G C 0.002 174.867 174.900 -0.058 0.000 0.983 387 G CA 0.070 45.089 45.100 -0.134 0.000 0.676 387 G HN 0.547 nan 8.290 nan 0.000 0.528 388 E N -1.668 118.516 120.200 -0.026 0.000 2.316 388 E HA 0.675 5.025 4.350 -0.000 0.000 0.258 388 E C 0.951 177.589 176.600 0.063 0.000 0.952 388 E CA -1.163 55.251 56.400 0.023 0.000 0.818 388 E CB 0.789 30.508 29.700 0.032 0.000 1.260 388 E HN -0.036 nan 8.360 nan 0.000 0.416 389 L N 0.501 121.754 121.223 0.050 0.000 2.291 389 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 389 L C 2.250 179.158 176.870 0.064 0.000 1.120 389 L CA 1.611 56.482 54.840 0.051 0.000 0.799 389 L CB -1.054 41.023 42.059 0.031 0.000 0.925 389 L HN 0.725 nan 8.230 nan 0.000 0.446 390 T N -4.306 110.292 114.554 0.073 0.000 2.995 390 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 390 T C 0.837 175.599 174.700 0.104 0.000 1.091 390 T CA 0.031 62.174 62.100 0.071 0.000 1.128 390 T CB -0.637 68.269 68.868 0.062 0.000 0.891 390 T HN 0.094 nan 8.240 nan 0.000 0.492 391 Y N 3.368 123.668 120.300 0.000 0.000 2.544 391 Y HA 0.390 4.940 4.550 0.000 0.000 0.330 391 Y C 0.284 176.185 175.900 0.002 0.000 1.136 391 Y CA -0.477 57.624 58.100 0.001 0.000 1.417 391 Y CB 0.272 38.731 38.460 -0.002 0.000 1.229 391 Y HN 0.318 nan 8.280 nan 0.000 0.532 392 S N 5.316 120.734 115.700 -0.470 0.000 2.546 392 S HA 0.751 5.221 4.470 -0.000 0.000 0.272 392 S C -2.099 172.220 174.600 -0.469 0.000 1.140 392 S CA -0.798 57.184 58.200 -0.364 0.000 0.920 392 S CB 1.179 64.286 63.200 -0.155 0.000 1.083 392 S HN 0.462 nan 8.310 nan 0.000 0.476 393 V N 3.749 123.465 119.914 -0.330 0.000 2.483 393 V HA 0.811 4.931 4.120 -0.000 0.000 0.297 393 V C -0.017 176.045 176.094 -0.052 0.000 1.027 393 V CA -0.170 62.005 62.300 -0.207 0.000 0.855 393 V CB 1.468 33.195 31.823 -0.160 0.000 0.995 393 V HN 1.166 nan 8.190 nan 0.000 0.424 394 T N 1.756 116.309 114.554 -0.002 0.000 2.883 394 T HA 0.864 5.214 4.350 -0.000 0.000 0.301 394 T C -1.061 173.729 174.700 0.151 0.000 1.158 394 T CA -0.755 61.376 62.100 0.052 0.000 1.007 394 T CB 2.317 71.166 68.868 -0.033 0.000 1.186 394 T HN 0.863 nan 8.240 nan 0.000 0.499 395 Y N -1.585 118.707 120.300 -0.014 0.000 2.644 395 Y HA 0.792 5.342 4.550 0.000 0.000 0.338 395 Y C -0.997 174.896 175.900 -0.012 0.000 1.119 395 Y CA -1.300 56.794 58.100 -0.010 0.000 1.060 395 Y CB 0.946 39.409 38.460 0.004 0.000 1.294 395 Y HN 0.656 nan 8.280 nan 0.000 0.472 396 T N 4.207 118.702 114.554 -0.099 0.000 2.770 396 T HA 0.410 4.760 4.350 -0.000 0.000 0.297 396 T C -2.821 171.825 174.700 -0.090 0.000 0.997 396 T CA -1.359 60.636 62.100 -0.174 0.000 0.949 396 T CB 0.747 69.580 68.868 -0.059 0.000 0.941 396 T HN 0.372 nan 8.240 nan 0.000 0.457 397 P HA 0.207 nan 4.420 nan 0.000 0.265 397 P C 1.152 178.476 177.300 0.041 0.000 1.193 397 P CA 0.683 63.800 63.100 0.028 0.000 0.765 397 P CB 0.338 32.023 31.700 -0.026 0.000 0.823 398 G N 1.918 110.765 108.800 0.078 0.000 2.189 398 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 398 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 398 G C 0.515 175.423 174.900 0.013 0.000 0.975 398 G CA 0.102 45.224 45.100 0.037 0.000 0.644 398 G HN 0.878 nan 8.290 nan 0.000 0.537 399 A N 0.541 123.370 122.820 0.014 0.000 2.567 399 A HA 0.557 4.877 4.320 -0.000 0.000 0.240 399 A C 1.837 179.408 177.584 -0.022 0.000 1.053 399 A CA 1.468 53.501 52.037 -0.006 0.000 0.755 399 A CB 0.219 19.218 19.000 -0.003 0.000 0.978 399 A HN 1.825 nan 8.150 nan 0.000 0.507 400 S N 1.732 117.416 115.700 -0.027 0.000 2.419 400 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 400 S C 1.487 176.054 174.600 -0.055 0.000 1.016 400 S CA 1.865 60.042 58.200 -0.037 0.000 0.974 400 S CB -0.805 62.376 63.200 -0.030 0.000 0.786 400 S HN 1.263 nan 8.310 nan 0.000 0.492 401 T N -0.899 113.622 114.554 -0.055 0.000 3.129 401 T HA 0.214 4.564 4.350 -0.000 0.000 0.251 401 T C 0.416 175.054 174.700 -0.104 0.000 1.117 401 T CA -0.389 61.668 62.100 -0.072 0.000 1.034 401 T CB -0.675 68.159 68.868 -0.056 0.000 0.968 401 T HN 0.229 nan 8.240 nan 0.000 0.526 402 N N 2.588 121.226 118.700 -0.103 0.000 2.412 402 N HA 0.121 4.861 4.740 -0.000 0.000 0.258 402 N C 0.997 176.337 175.510 -0.283 0.000 1.236 402 N CA -0.132 52.822 53.050 -0.160 0.000 0.882 402 N CB 0.848 39.274 38.487 -0.102 0.000 1.066 402 N HN 0.136 nan 8.380 nan 0.000 0.465 403 K N 1.384 121.496 120.400 -0.481 0.000 2.305 403 K HA 0.041 4.361 4.320 -0.000 0.000 0.199 403 K C 0.039 176.061 176.600 -0.964 0.000 1.047 403 K CA 0.941 56.792 56.287 -0.727 0.000 0.976 403 K CB 0.051 31.975 32.500 -0.961 0.000 0.765 403 K HN 0.575 nan 8.250 nan 0.000 0.474 404 H N -0.208 118.551 119.070 -0.518 0.000 2.797 404 H HA 0.329 4.885 4.556 0.000 0.000 0.372 404 H C -2.359 172.652 175.328 -0.529 0.000 1.168 404 H CA -2.579 53.004 56.048 -0.774 0.000 1.163 404 H CB 1.383 30.282 29.762 -1.439 0.000 1.778 404 H HN -0.153 nan 8.280 nan 0.000 0.551 405 P HA -0.001 nan 4.420 nan 0.000 0.272 405 P C 0.218 177.343 177.300 -0.293 0.000 1.230 405 P CA -0.200 62.711 63.100 -0.315 0.000 0.788 405 P CB 1.364 32.822 31.700 -0.403 0.000 0.949 406 D N 0.490 120.849 120.400 -0.069 0.000 2.149 406 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 406 D C 1.935 178.268 176.300 0.054 0.000 0.990 406 D CA 1.357 55.394 54.000 0.061 0.000 0.839 406 D CB -0.537 40.386 40.800 0.206 0.000 0.948 406 D HN 0.624 nan 8.370 nan 0.000 0.460 407 W N 0.193 121.568 121.300 0.124 0.000 2.363 407 W HA -0.138 4.522 4.660 -0.000 0.000 0.296 407 W C 1.977 178.568 176.519 0.120 0.000 1.212 407 W CA 0.150 57.561 57.345 0.109 0.000 1.260 407 W CB -1.340 28.179 29.460 0.099 0.000 1.131 407 W HN 0.051 nan 8.180 nan 0.000 0.530 408 W N 3.428 124.345 121.300 -0.639 0.000 2.378 408 W HA -0.156 4.504 4.660 0.000 0.000 0.313 408 W C 1.883 178.165 176.519 -0.395 0.000 1.197 408 W CA 1.691 58.645 57.345 -0.651 0.000 1.304 408 W CB -1.019 27.796 29.460 -1.075 0.000 1.148 408 W HN -0.116 nan 8.180 nan 0.000 0.494 409 N N 1.007 119.667 118.700 -0.066 0.000 2.289 409 N HA -0.190 4.550 4.740 -0.000 0.000 0.184 409 N C 1.456 176.648 175.510 -0.531 0.000 1.016 409 N CA 1.737 54.532 53.050 -0.424 0.000 0.872 409 N CB -0.519 37.361 38.487 -1.011 0.000 0.973 409 N HN 0.240 nan 8.380 nan 0.000 0.433 410 E N 1.417 121.465 120.200 -0.253 0.000 2.106 410 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 410 E C 1.584 178.215 176.600 0.051 0.000 0.984 410 E CA 1.190 57.608 56.400 0.030 0.000 0.806 410 E CB 0.108 29.907 29.700 0.166 0.000 0.750 410 E HN 0.242 nan 8.360 nan 0.000 0.458 411 K N -0.320 120.099 120.400 0.032 0.000 2.057 411 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 411 K C 2.133 178.732 176.600 -0.001 0.000 1.050 411 K CA 1.254 57.556 56.287 0.025 0.000 0.935 411 K CB -0.135 32.371 32.500 0.010 0.000 0.715 411 K HN 0.048 nan 8.250 nan 0.000 0.439 412 V N 2.289 122.172 119.914 -0.053 0.000 2.295 412 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 412 V C 2.484 178.615 176.094 0.062 0.000 1.049 412 V CA 1.813 64.104 62.300 -0.015 0.000 1.024 412 V CB -0.475 31.341 31.823 -0.011 0.000 0.648 412 V HN 0.367 nan 8.190 nan 0.000 0.447 413 K N 0.295 120.722 120.400 0.046 0.000 2.032 413 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 413 K C 2.003 178.660 176.600 0.096 0.000 1.048 413 K CA 2.114 58.455 56.287 0.091 0.000 0.927 413 K CB -0.250 32.349 32.500 0.165 0.000 0.712 413 K HN 0.440 nan 8.250 nan 0.000 0.441 414 N N 0.238 118.999 118.700 0.102 0.000 2.188 414 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 414 N C 1.738 177.311 175.510 0.105 0.000 1.018 414 N CA 1.344 54.451 53.050 0.094 0.000 0.858 414 N CB -0.592 37.955 38.487 0.100 0.000 0.989 414 N HN 0.435 nan 8.380 nan 0.000 0.426 415 H N 0.619 119.716 119.070 0.045 0.000 2.321 415 H HA 0.102 4.658 4.556 -0.000 0.000 0.300 415 H C 2.035 177.416 175.328 0.088 0.000 1.087 415 H CA 1.738 57.822 56.048 0.060 0.000 1.319 415 H CB -0.076 29.632 29.762 -0.090 0.000 1.379 415 H HN 0.088 nan 8.280 nan 0.000 0.501 416 M N -1.110 118.491 119.600 0.001 0.000 2.200 416 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 416 M C 2.293 178.655 176.300 0.104 0.000 1.066 416 M CA 1.508 56.819 55.300 0.019 0.000 1.127 416 M CB -0.042 32.642 32.600 0.140 0.000 1.379 416 M HN 0.360 nan 8.290 nan 0.000 0.420 417 M N 0.294 119.946 119.600 0.087 0.000 2.156 417 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 417 M C 1.910 178.217 176.300 0.012 0.000 1.067 417 M CA 1.889 57.255 55.300 0.111 0.000 1.131 417 M CB -0.038 32.595 32.600 0.054 0.000 1.368 417 M HN 0.127 nan 8.290 nan 0.000 0.416 418 Q N -1.100 118.639 119.800 -0.101 0.000 2.311 418 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 418 Q C -0.142 175.532 176.000 -0.542 0.000 0.954 418 Q CA 0.719 56.344 55.803 -0.296 0.000 0.885 418 Q CB 0.239 28.779 28.738 -0.331 0.000 0.963 418 Q HN 0.529 nan 8.270 nan 0.000 0.471 419 H N -0.094 118.886 119.070 -0.150 0.000 2.380 419 H HA 0.190 4.746 4.556 -0.000 0.000 0.231 419 H C 0.003 175.227 175.328 -0.173 0.000 1.415 419 H CA -0.096 55.863 56.048 -0.148 0.000 1.433 419 H CB 0.614 30.247 29.762 -0.215 0.000 1.544 419 H HN 0.243 nan 8.280 nan 0.000 0.503 420 Q N 0.719 120.482 119.800 -0.061 0.000 2.297 420 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 420 Q C 1.877 177.784 176.000 -0.155 0.000 0.962 420 Q CA 0.879 56.581 55.803 -0.168 0.000 0.879 420 Q CB 0.446 29.017 28.738 -0.279 0.000 0.947 420 Q HN 0.493 nan 8.270 nan 0.000 0.462 421 E N 1.353 121.520 120.200 -0.055 0.000 2.427 421 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 421 E C -0.354 176.265 176.600 0.032 0.000 1.028 421 E CA 0.570 56.959 56.400 -0.017 0.000 0.864 421 E CB -0.130 29.581 29.700 0.018 0.000 0.813 421 E HN 0.152 nan 8.360 nan 0.000 0.514 422 D N 2.192 122.629 120.400 0.061 0.000 2.312 422 D HA 0.091 4.731 4.640 -0.000 0.000 0.252 422 D C -1.449 174.898 176.300 0.078 0.000 1.150 422 D CA -1.862 52.209 54.000 0.119 0.000 0.870 422 D CB 1.441 42.346 40.800 0.175 0.000 1.153 422 D HN -0.120 nan 8.370 nan 0.000 0.457 423 P HA 0.031 nan 4.420 nan 0.000 0.236 423 P C -0.011 177.330 177.300 0.067 0.000 1.177 423 P CA 0.312 63.448 63.100 0.059 0.000 0.773 423 P CB 0.386 32.114 31.700 0.047 0.000 0.878 424 L N 1.763 123.036 121.223 0.083 0.000 2.343 424 L HA 0.320 4.660 4.340 -0.000 0.000 0.275 424 L C -1.300 175.610 176.870 0.066 0.000 1.056 424 L CA -2.133 52.735 54.840 0.046 0.000 0.804 424 L CB 1.740 43.799 42.059 0.000 0.000 1.203 424 L HN -0.243 nan 8.230 nan 0.000 0.440 425 P HA 0.118 nan 4.420 nan 0.000 0.255 425 P C 0.125 177.333 177.300 -0.153 0.000 1.248 425 P CA 0.432 63.551 63.100 0.032 0.000 0.807 425 P CB 0.304 32.027 31.700 0.037 0.000 1.150 426 I N 2.324 122.713 120.570 -0.303 0.000 2.342 426 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 426 I C -2.122 173.513 176.117 -0.804 0.000 1.010 426 I CA -2.807 58.241 61.300 -0.421 0.000 1.308 426 I CB 0.867 38.699 38.000 -0.281 0.000 1.400 426 I HN -0.243 nan 8.210 nan 0.000 0.488 427 P HA -0.012 nan 4.420 nan 0.000 0.267 427 P C 0.247 177.257 177.300 -0.484 0.000 1.200 427 P CA 0.089 62.751 63.100 -0.730 0.000 0.772 427 P CB 0.351 31.892 31.700 -0.266 0.000 0.855 428 F N 0.607 120.405 119.950 -0.253 0.000 2.234 428 F HA -0.078 4.449 4.527 0.000 0.000 0.299 428 F C 1.718 177.463 175.800 -0.091 0.000 1.087 428 F CA 1.487 59.395 58.000 -0.152 0.000 1.340 428 F CB -0.831 38.102 39.000 -0.112 0.000 1.031 428 F HN 0.387 nan 8.300 nan 0.000 0.500 429 E N -0.284 119.985 120.200 0.115 0.000 2.419 429 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 429 E C -0.273 176.338 176.600 0.018 0.000 1.040 429 E CA -0.241 56.200 56.400 0.068 0.000 0.900 429 E CB -0.213 29.529 29.700 0.071 0.000 1.054 429 E HN 0.154 nan 8.360 nan 0.000 0.462 430 D N 2.588 122.975 120.400 -0.022 0.000 2.450 430 D HA 0.018 4.658 4.640 -0.000 0.000 0.247 430 D C -2.292 174.017 176.300 0.016 0.000 1.162 430 D CA -1.525 52.452 54.000 -0.038 0.000 0.879 430 D CB 0.739 41.478 40.800 -0.101 0.000 1.163 430 D HN -0.115 nan 8.370 nan 0.000 0.472 431 P HA 0.039 nan 4.420 nan 0.000 0.270 431 P C -0.272 177.142 177.300 0.190 0.000 1.223 431 P CA -0.295 62.898 63.100 0.154 0.000 0.785 431 P CB 0.355 32.160 31.700 0.174 0.000 0.923 432 E N 2.851 123.177 120.200 0.209 0.000 2.422 432 E HA 0.104 4.454 4.350 -0.000 0.000 0.260 432 E C -2.460 174.184 176.600 0.074 0.000 1.108 432 E CA -1.645 54.815 56.400 0.099 0.000 0.943 432 E CB -0.985 28.733 29.700 0.030 0.000 0.961 432 E HN 0.217 nan 8.360 nan 0.000 0.443 433 P HA 0.080 nan 4.420 nan 0.000 0.272 433 P C -0.507 176.779 177.300 -0.023 0.000 1.223 433 P CA 0.040 63.199 63.100 0.099 0.000 0.784 433 P CB 0.384 32.092 31.700 0.012 0.000 0.923 434 Q N 1.045 120.895 119.800 0.083 0.000 3.230 434 Q HA 0.295 4.635 4.340 -0.000 0.000 0.303 434 Q C -0.981 175.078 176.000 0.098 0.000 0.884 434 Q CA -0.329 55.404 55.803 -0.116 0.000 0.859 434 Q CB 1.009 29.390 28.738 -0.593 0.000 1.432 434 Q HN 0.182 nan 8.270 nan 0.000 0.403 435 V N 0.506 120.448 119.914 0.046 0.000 2.612 435 V HA 0.716 4.836 4.120 -0.000 0.000 0.301 435 V C 0.260 176.343 176.094 -0.019 0.000 1.046 435 V CA -0.365 61.959 62.300 0.039 0.000 0.946 435 V CB 1.988 33.780 31.823 -0.051 0.000 1.003 435 V HN 0.407 nan 8.190 nan 0.000 0.459 436 T N 1.781 116.357 114.554 0.037 0.000 2.956 436 T HA 0.431 4.781 4.350 -0.000 0.000 0.312 436 T C -0.903 173.728 174.700 -0.115 0.000 1.151 436 T CA -0.304 61.759 62.100 -0.061 0.000 1.024 436 T CB 1.771 70.586 68.868 -0.088 0.000 1.140 436 T HN 0.828 nan 8.240 nan 0.000 0.473 437 T N 4.857 119.190 114.554 -0.367 0.000 2.756 437 T HA 0.632 4.982 4.350 -0.000 0.000 0.290 437 T C -0.024 174.511 174.700 -0.275 0.000 0.985 437 T CA -0.549 61.180 62.100 -0.619 0.000 0.955 437 T CB -0.125 67.940 68.868 -1.338 0.000 0.930 437 T HN 0.492 nan 8.240 nan 0.000 0.451 438 L N 4.253 125.401 121.223 -0.125 0.000 2.453 438 L HA 0.438 4.778 4.340 -0.000 0.000 0.261 438 L C 0.682 177.566 176.870 0.022 0.000 1.179 438 L CA -0.977 53.879 54.840 0.026 0.000 0.813 438 L CB 0.253 42.334 42.059 0.038 0.000 1.110 438 L HN 0.602 nan 8.230 nan 0.000 0.466 439 F N 2.336 122.226 119.950 -0.100 0.000 2.623 439 F HA -0.025 4.502 4.527 -0.000 0.000 0.386 439 F C 0.183 175.744 175.800 -0.398 0.000 1.068 439 F CA 0.474 58.329 58.000 -0.243 0.000 1.265 439 F CB 0.124 39.025 39.000 -0.164 0.000 1.026 439 F HN 0.362 nan 8.300 nan 0.000 0.568 440 Q N 6.371 125.682 119.800 -0.815 0.000 2.462 440 Q HA 0.252 4.592 4.340 -0.000 0.000 0.285 440 Q C -2.063 173.503 176.000 -0.724 0.000 1.035 440 Q CA -1.717 53.705 55.803 -0.635 0.000 0.799 440 Q CB 1.431 29.658 28.738 -0.852 0.000 1.452 440 Q HN 0.238 nan 8.270 nan 0.000 0.404 441 P HA -0.189 nan 4.420 nan 0.000 0.216 441 P C 1.197 178.286 177.300 -0.352 0.000 1.150 441 P CA 1.991 64.928 63.100 -0.272 0.000 0.843 441 P CB 0.217 31.845 31.700 -0.120 0.000 0.787 442 S N -1.420 114.070 115.700 -0.350 0.000 2.522 442 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 442 S C 0.566 174.961 174.600 -0.343 0.000 0.986 442 S CA 0.154 58.209 58.200 -0.242 0.000 0.929 442 S CB -1.289 61.867 63.200 -0.074 0.000 0.769 442 S HN 0.432 nan 8.310 nan 0.000 0.529 443 H N -0.992 117.628 119.070 -0.750 0.000 2.538 443 H HA 0.478 5.034 4.556 -0.000 0.000 0.239 443 H C -3.149 171.009 175.328 -1.950 0.000 1.401 443 H CA -1.888 53.300 56.048 -1.433 0.000 1.499 443 H CB 0.509 29.711 29.762 -0.932 0.000 1.624 443 H HN 0.079 nan 8.280 nan 0.000 0.524 444 P HA 0.054 nan 4.420 nan 0.000 0.226 444 P C -1.257 175.471 177.300 -0.954 0.000 1.783 444 P CA 0.253 62.280 63.100 -1.788 0.000 0.980 444 P CB -1.032 30.205 31.700 -0.771 0.000 1.967 445 W N -0.223 120.722 121.300 -0.593 0.000 3.137 445 W HA 0.516 5.176 4.660 0.000 0.000 0.324 445 W C -1.068 175.519 176.519 0.115 0.000 1.253 445 W CA -1.249 56.096 57.345 -0.001 0.000 1.183 445 W CB 0.119 29.617 29.460 0.063 0.000 1.424 445 W HN -0.003 nan 8.180 nan 0.000 0.566 446 H N 0.892 120.215 119.070 0.423 0.000 2.482 446 H HA 0.724 5.280 4.556 -0.000 0.000 0.344 446 H C -0.291 175.163 175.328 0.209 0.000 1.151 446 H CA 0.345 56.542 56.048 0.249 0.000 1.300 446 H CB 1.657 31.526 29.762 0.179 0.000 1.494 446 H HN 0.580 nan 8.280 nan 0.000 0.542 447 T N 2.244 116.389 114.554 -0.683 0.000 2.881 447 T HA 0.444 4.794 4.350 -0.000 0.000 0.290 447 T C -0.930 173.443 174.700 -0.545 0.000 1.000 447 T CA -1.113 60.612 62.100 -0.625 0.000 0.978 447 T CB 1.444 69.838 68.868 -0.789 0.000 0.997 447 T HN 0.678 nan 8.240 nan 0.000 0.443 448 Q N 2.611 122.295 119.800 -0.194 0.000 2.310 448 Q HA 0.564 4.904 4.340 -0.000 0.000 0.270 448 Q C -1.069 174.819 176.000 -0.187 0.000 1.025 448 Q CA -0.688 54.951 55.803 -0.273 0.000 0.772 448 Q CB 2.558 31.056 28.738 -0.400 0.000 1.253 448 Q HN 0.721 nan 8.270 nan 0.000 0.450 449 I N 3.776 124.186 120.570 -0.268 0.000 2.495 449 I HA 0.346 4.516 4.170 -0.000 0.000 0.277 449 I C -0.342 175.651 176.117 -0.207 0.000 1.045 449 I CA -0.238 60.786 61.300 -0.460 0.000 1.135 449 I CB 0.401 38.003 38.000 -0.663 0.000 1.241 449 I HN 0.767 nan 8.210 nan 0.000 0.469 450 H N 3.921 122.809 119.070 -0.303 0.000 3.150 450 H HA 0.658 5.214 4.556 0.000 0.000 0.270 450 H C -1.241 174.018 175.328 -0.115 0.000 1.573 450 H CA -1.330 54.610 56.048 -0.179 0.000 1.195 450 H CB 1.358 31.034 29.762 -0.142 0.000 1.874 450 H HN 0.114 nan 8.280 nan 0.000 0.691 451 R N 0.904 121.194 120.500 -0.351 0.000 2.686 451 R HA 0.315 4.655 4.340 -0.000 0.000 0.283 451 R C -1.455 174.529 176.300 -0.527 0.000 0.978 451 R CA -0.585 55.289 56.100 -0.377 0.000 0.897 451 R CB 1.926 32.153 30.300 -0.121 0.000 1.192 451 R HN 0.923 nan 8.270 nan 0.000 0.457 452 D N -0.129 120.045 120.400 -0.376 0.000 2.714 452 D HA 0.454 5.094 4.640 -0.000 0.000 0.278 452 D C -0.712 175.587 176.300 -0.003 0.000 1.102 452 D CA -0.838 53.036 54.000 -0.210 0.000 1.108 452 D CB 0.386 41.089 40.800 -0.162 0.000 1.444 452 D HN 0.433 nan 8.370 nan 0.000 0.568 453 A N -0.292 122.554 122.820 0.043 0.000 2.548 453 A HA 0.410 4.730 4.320 -0.000 0.000 0.247 453 A C -0.861 176.822 177.584 0.166 0.000 1.067 453 A CA 0.155 52.271 52.037 0.132 0.000 0.757 453 A CB -0.866 18.252 19.000 0.197 0.000 0.996 453 A HN 0.462 nan 8.150 nan 0.000 0.504 454 F N 1.927 121.880 119.950 0.004 0.000 2.591 454 F HA 0.486 5.013 4.527 -0.000 0.000 0.309 454 F C 0.155 175.827 175.800 -0.214 0.000 1.098 454 F CA -0.266 57.634 58.000 -0.167 0.000 0.937 454 F CB 2.040 40.864 39.000 -0.293 0.000 1.250 454 F HN 0.449 nan 8.300 nan 0.000 0.447 455 S N 4.669 119.858 115.700 -0.851 0.000 2.422 455 S HA 0.472 4.942 4.470 -0.000 0.000 0.298 455 S C -1.300 173.047 174.600 -0.422 0.000 1.118 455 S CA -0.180 57.748 58.200 -0.454 0.000 1.083 455 S CB -0.076 62.877 63.200 -0.412 0.000 0.971 455 S HN 0.479 nan 8.310 nan 0.000 0.478 456 Y N 2.668 123.039 120.300 0.119 0.000 2.330 456 Y HA 0.488 5.038 4.550 -0.000 0.000 0.336 456 Y C 1.307 177.269 175.900 0.102 0.000 1.036 456 Y CA -0.425 57.799 58.100 0.207 0.000 1.125 456 Y CB 1.042 39.631 38.460 0.214 0.000 1.194 456 Y HN 0.769 nan 8.280 nan 0.000 0.469 457 G N 0.834 109.778 108.800 0.239 0.000 2.630 457 G HA2 0.242 4.202 3.960 -0.000 0.000 0.236 457 G HA3 0.242 4.202 3.960 -0.000 0.000 0.236 457 G C 0.628 175.622 174.900 0.156 0.000 1.248 457 G CA -0.060 45.131 45.100 0.151 0.000 0.844 457 G HN 0.913 nan 8.290 nan 0.000 0.588 458 A N 0.867 123.747 122.820 0.100 0.000 2.250 458 A HA 0.348 4.668 4.320 -0.000 0.000 0.208 458 A C 1.487 179.114 177.584 0.071 0.000 1.254 458 A CA 0.798 52.883 52.037 0.080 0.000 0.858 458 A CB -0.049 18.984 19.000 0.054 0.000 0.820 458 A HN 0.717 nan 8.150 nan 0.000 0.484 459 V N -1.712 118.256 119.914 0.090 0.000 3.193 459 V HA -0.071 4.049 4.120 -0.000 0.000 0.237 459 V C 1.942 178.088 176.094 0.086 0.000 1.447 459 V CA 0.855 63.198 62.300 0.073 0.000 1.227 459 V CB -0.060 31.802 31.823 0.063 0.000 1.040 459 V HN 0.641 nan 8.190 nan 0.000 0.458 460 Q N -0.217 119.668 119.800 0.141 0.000 2.234 460 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 460 Q C 1.776 177.806 176.000 0.050 0.000 0.980 460 Q CA 1.271 57.180 55.803 0.175 0.000 0.869 460 Q CB -0.143 28.854 28.738 0.431 0.000 0.912 460 Q HN 0.581 nan 8.270 nan 0.000 0.436 461 Q N 0.052 119.893 119.800 0.068 0.000 2.369 461 Q HA -0.019 4.321 4.340 -0.000 0.000 0.206 461 Q C 1.904 177.899 176.000 -0.008 0.000 0.963 461 Q CA 0.496 56.300 55.803 0.002 0.000 0.894 461 Q CB 0.129 28.899 28.738 0.053 0.000 0.965 461 Q HN 0.234 nan 8.270 nan 0.000 0.475 462 S N -0.054 115.655 115.700 0.014 0.000 2.453 462 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 462 S C 0.869 175.467 174.600 -0.004 0.000 1.005 462 S CA 0.207 58.413 58.200 0.010 0.000 0.949 462 S CB 0.215 63.429 63.200 0.024 0.000 0.774 462 S HN 0.121 nan 8.310 nan 0.000 0.510 463 I N 2.843 123.402 120.570 -0.018 0.000 2.342 463 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 463 I C 0.348 176.433 176.117 -0.053 0.000 1.010 463 I CA -1.063 60.222 61.300 -0.025 0.000 1.308 463 I CB 0.647 38.637 38.000 -0.016 0.000 1.400 463 I HN 0.136 nan 8.210 nan 0.000 0.488 464 D N 4.465 124.849 120.400 -0.028 0.000 2.531 464 D HA -0.065 4.575 4.640 -0.000 0.000 0.239 464 D C 1.094 177.363 176.300 -0.052 0.000 1.144 464 D CA 0.224 54.209 54.000 -0.025 0.000 0.869 464 D CB 1.106 41.912 40.800 0.010 0.000 1.160 464 D HN 0.629 nan 8.370 nan 0.000 0.484 465 S N 4.285 119.939 115.700 -0.076 0.000 2.442 465 S HA -0.154 4.316 4.470 -0.000 0.000 0.236 465 S C 1.691 176.262 174.600 -0.049 0.000 1.007 465 S CA 0.458 58.597 58.200 -0.102 0.000 0.965 465 S CB 0.013 63.144 63.200 -0.117 0.000 0.773 465 S HN 0.542 nan 8.310 nan 0.000 0.504 466 R N 0.807 121.293 120.500 -0.023 0.000 2.193 466 R HA 0.117 4.457 4.340 -0.000 0.000 0.229 466 R C 1.640 177.926 176.300 -0.024 0.000 1.110 466 R CA 1.016 57.102 56.100 -0.024 0.000 0.988 466 R CB -0.533 29.746 30.300 -0.035 0.000 0.871 466 R HN 0.447 nan 8.270 nan 0.000 0.458 467 L N 0.226 121.438 121.223 -0.019 0.000 2.509 467 L HA 0.136 4.476 4.340 -0.000 0.000 0.222 467 L C 0.615 177.490 176.870 0.009 0.000 1.123 467 L CA 0.138 54.974 54.840 -0.005 0.000 0.856 467 L CB 0.150 42.206 42.059 -0.004 0.000 0.985 467 L HN 0.049 nan 8.230 nan 0.000 0.456 468 I N 0.323 120.893 120.570 -0.001 0.000 2.353 468 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 468 I C -0.613 175.521 176.117 0.028 0.000 0.992 468 I CA -0.403 60.909 61.300 0.021 0.000 1.268 468 I CB 1.698 39.697 38.000 -0.000 0.000 1.387 468 I HN -0.289 nan 8.210 nan 0.000 0.478 469 V N 4.997 124.950 119.914 0.066 0.000 2.656 469 V HA 0.340 4.460 4.120 -0.000 0.000 0.307 469 V C -0.747 175.366 176.094 0.031 0.000 1.051 469 V CA -0.852 61.458 62.300 0.015 0.000 0.893 469 V CB 2.142 33.972 31.823 0.012 0.000 0.999 469 V HN 0.577 nan 8.190 nan 0.000 0.426 470 D N 2.542 122.897 120.400 -0.075 0.000 2.210 470 D HA 0.447 5.087 4.640 -0.000 0.000 0.249 470 D C -1.012 175.231 176.300 -0.095 0.000 1.062 470 D CA 0.056 54.039 54.000 -0.028 0.000 0.891 470 D CB 1.435 42.273 40.800 0.064 0.000 1.186 470 D HN 0.447 nan 8.370 nan 0.000 0.432 471 W N 1.492 122.716 121.300 -0.128 0.000 2.538 471 W HA 0.428 5.088 4.660 -0.000 0.000 0.322 471 W C 0.193 176.726 176.519 0.023 0.000 1.028 471 W CA -0.831 56.505 57.345 -0.014 0.000 1.228 471 W CB 1.257 30.622 29.460 -0.158 0.000 1.356 471 W HN -0.063 nan 8.180 nan 0.000 0.452 472 R N 3.217 123.947 120.500 0.384 0.000 2.473 472 R HA 0.479 4.819 4.340 -0.000 0.000 0.303 472 R C -1.529 174.939 176.300 0.280 0.000 1.002 472 R CA -0.877 55.359 56.100 0.226 0.000 0.884 472 R CB 1.548 31.927 30.300 0.131 0.000 1.173 472 R HN 0.177 nan 8.270 nan 0.000 0.464 473 F N 2.958 122.787 119.950 -0.202 0.000 2.458 473 F HA 0.494 5.021 4.527 0.000 0.000 0.336 473 F C -0.330 175.383 175.800 -0.145 0.000 1.114 473 F CA -1.348 56.618 58.000 -0.057 0.000 0.987 473 F CB 1.064 39.986 39.000 -0.130 0.000 1.130 473 F HN 0.294 nan 8.300 nan 0.000 0.458 474 F N 1.499 121.630 119.950 0.302 0.000 2.449 474 F HA 0.674 5.201 4.527 0.000 0.000 0.342 474 F C 0.574 176.576 175.800 0.338 0.000 1.127 474 F CA -1.207 56.975 58.000 0.303 0.000 0.975 474 F CB 1.421 40.643 39.000 0.370 0.000 1.146 474 F HN 0.503 nan 8.300 nan 0.000 0.444 475 G N 1.987 111.039 108.800 0.420 0.000 2.461 475 G HA2 0.679 4.639 3.960 -0.000 0.000 0.329 475 G HA3 0.679 4.639 3.960 -0.000 0.000 0.329 475 G C -1.028 174.060 174.900 0.313 0.000 1.170 475 G CA -1.153 44.172 45.100 0.375 0.000 0.935 475 G HN 0.699 nan 8.290 nan 0.000 0.492 476 R N -0.723 119.959 120.500 0.303 0.000 2.428 476 R HA 0.672 5.012 4.340 -0.000 0.000 0.294 476 R C -0.964 175.431 176.300 0.158 0.000 1.000 476 R CA -0.529 55.675 56.100 0.173 0.000 0.960 476 R CB 1.306 31.724 30.300 0.197 0.000 1.076 476 R HN 0.269 nan 8.270 nan 0.000 0.475 477 T N 1.872 116.489 114.554 0.105 0.000 2.807 477 T HA 0.127 4.477 4.350 -0.000 0.000 0.279 477 T C -0.778 174.011 174.700 0.149 0.000 0.993 477 T CA -0.652 61.570 62.100 0.203 0.000 0.970 477 T CB 1.427 70.502 68.868 0.346 0.000 0.950 477 T HN 0.652 nan 8.240 nan 0.000 0.441 478 E N 4.403 124.697 120.200 0.157 0.000 2.376 478 E HA 0.132 4.482 4.350 -0.000 0.000 0.266 478 E C -2.176 174.513 176.600 0.149 0.000 1.009 478 E CA -1.799 54.681 56.400 0.134 0.000 0.902 478 E CB 0.540 30.309 29.700 0.116 0.000 0.972 478 E HN 0.193 nan 8.360 nan 0.000 0.439 479 P HA 0.107 nan 4.420 nan 0.000 0.271 479 P C -1.212 176.250 177.300 0.269 0.000 1.226 479 P CA 0.049 63.296 63.100 0.244 0.000 0.765 479 P CB 0.628 32.490 31.700 0.271 0.000 0.835 480 K N 2.568 123.068 120.400 0.167 0.000 2.427 480 K HA 0.168 4.488 4.320 -0.000 0.000 0.252 480 K C 1.000 177.433 176.600 -0.280 0.000 0.931 480 K CA -0.709 55.589 56.287 0.017 0.000 0.793 480 K CB 2.311 34.788 32.500 -0.039 0.000 1.211 480 K HN 0.461 nan 8.250 nan 0.000 0.426 481 E N 2.443 122.305 120.200 -0.563 0.000 2.085 481 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 481 E C 1.003 177.337 176.600 -0.442 0.000 0.994 481 E CA 1.630 57.433 56.400 -0.996 0.000 0.801 481 E CB 0.372 29.729 29.700 -0.572 0.000 0.743 481 E HN 0.581 nan 8.360 nan 0.000 0.453 482 E N 0.509 120.564 120.200 -0.242 0.000 2.333 482 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 482 E C -0.058 176.486 176.600 -0.093 0.000 1.007 482 E CA 0.444 56.761 56.400 -0.139 0.000 0.845 482 E CB -0.363 29.273 29.700 -0.108 0.000 0.766 482 E HN 0.114 nan 8.360 nan 0.000 0.507 483 N N 2.022 120.662 118.700 -0.100 0.000 2.401 483 N HA 0.166 4.906 4.740 -0.000 0.000 0.255 483 N C -0.761 174.817 175.510 0.114 0.000 1.110 483 N CA 0.149 53.206 53.050 0.013 0.000 0.949 483 N CB 1.054 39.544 38.487 0.006 0.000 1.110 483 N HN 0.130 nan 8.380 nan 0.000 0.490 484 K N 1.252 121.767 120.400 0.192 0.000 2.426 484 K HA 0.466 4.786 4.320 -0.000 0.000 0.251 484 K C -1.058 175.692 176.600 0.250 0.000 0.941 484 K CA -0.941 55.472 56.287 0.210 0.000 0.808 484 K CB 2.459 35.084 32.500 0.207 0.000 1.265 484 K HN 0.184 nan 8.250 nan 0.000 0.432 485 L N 3.904 125.219 121.223 0.152 0.000 2.305 485 L HA 0.566 4.906 4.340 -0.000 0.000 0.284 485 L C -1.268 175.544 176.870 -0.096 0.000 1.013 485 L CA -0.099 54.669 54.840 -0.120 0.000 0.819 485 L CB 0.575 42.549 42.059 -0.141 0.000 1.227 485 L HN 0.692 nan 8.230 nan 0.000 0.417 486 W N 3.583 124.616 121.300 -0.445 0.000 2.967 486 W HA 0.630 5.290 4.660 -0.000 0.000 0.342 486 W C -2.142 173.923 176.519 -0.756 0.000 1.162 486 W CA -1.288 55.831 57.345 -0.377 0.000 1.085 486 W CB 0.836 30.222 29.460 -0.122 0.000 1.460 486 W HN 0.326 nan 8.180 nan 0.000 0.584 487 F N 1.605 121.703 119.950 0.247 0.000 2.493 487 F HA 0.321 4.848 4.527 0.000 0.000 0.329 487 F C 0.859 176.797 175.800 0.230 0.000 1.126 487 F CA -0.900 57.136 58.000 0.060 0.000 0.937 487 F CB 1.981 41.015 39.000 0.057 0.000 1.146 487 F HN 0.264 nan 8.300 nan 0.000 0.442 488 S N 1.339 117.146 115.700 0.177 0.000 2.549 488 S HA 0.008 4.478 4.470 -0.000 0.000 0.286 488 S C 0.836 175.577 174.600 0.236 0.000 1.314 488 S CA -0.437 57.915 58.200 0.254 0.000 1.062 488 S CB 0.286 63.541 63.200 0.090 0.000 0.865 488 S HN 0.681 nan 8.310 nan 0.000 0.498 489 D N 3.163 123.694 120.400 0.219 0.000 2.340 489 D HA 0.112 4.752 4.640 -0.000 0.000 0.220 489 D C 1.016 177.376 176.300 0.101 0.000 1.039 489 D CA 0.432 54.515 54.000 0.138 0.000 0.866 489 D CB 0.196 41.061 40.800 0.109 0.000 0.913 489 D HN 0.435 nan 8.370 nan 0.000 0.523 490 K N -0.286 120.178 120.400 0.106 0.000 2.353 490 K HA 0.149 4.469 4.320 -0.000 0.000 0.206 490 K C 0.233 176.873 176.600 0.068 0.000 1.191 490 K CA -0.075 56.259 56.287 0.079 0.000 0.897 490 K CB 0.843 33.391 32.500 0.081 0.000 1.283 490 K HN 0.002 nan 8.250 nan 0.000 0.477 491 I N 3.143 123.754 120.570 0.069 0.000 2.472 491 I HA 0.114 4.284 4.170 -0.000 0.000 0.290 491 I C 0.525 176.675 176.117 0.055 0.000 1.016 491 I CA 0.023 61.353 61.300 0.051 0.000 1.348 491 I CB 1.077 39.095 38.000 0.030 0.000 1.417 491 I HN 0.219 nan 8.210 nan 0.000 0.521 492 T N 0.978 115.563 114.554 0.051 0.000 2.916 492 T HA 0.575 4.925 4.350 -0.000 0.000 0.292 492 T C -0.409 174.329 174.700 0.063 0.000 1.055 492 T CA -0.915 61.223 62.100 0.064 0.000 1.009 492 T CB 2.449 71.352 68.868 0.059 0.000 1.118 492 T HN 0.551 nan 8.240 nan 0.000 0.497 493 D N 0.962 121.417 120.400 0.092 0.000 2.469 493 D HA 0.476 5.116 4.640 -0.000 0.000 0.278 493 D C 1.626 177.982 176.300 0.094 0.000 1.231 493 D CA -0.415 53.648 54.000 0.105 0.000 1.075 493 D CB -0.062 40.836 40.800 0.163 0.000 1.121 493 D HN 0.660 nan 8.370 nan 0.000 0.571 494 A N -1.492 121.388 122.820 0.100 0.000 2.121 494 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 494 A C 1.115 178.588 177.584 -0.185 0.000 1.154 494 A CA 0.830 52.843 52.037 -0.040 0.000 0.679 494 A CB -0.905 18.051 19.000 -0.073 0.000 0.795 494 A HN 0.534 nan 8.150 nan 0.000 0.458 495 Y N -1.389 118.930 120.300 0.032 0.000 2.607 495 Y HA 0.251 4.801 4.550 0.000 0.000 0.266 495 Y C 0.810 176.736 175.900 0.043 0.000 1.178 495 Y CA -0.241 57.880 58.100 0.035 0.000 1.226 495 Y CB -0.201 38.267 38.460 0.014 0.000 1.144 495 Y HN 0.441 nan 8.280 nan 0.000 0.528 496 N N 0.061 118.840 118.700 0.131 0.000 2.776 496 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 496 N C -0.830 174.733 175.510 0.088 0.000 1.111 496 N CA 0.486 53.588 53.050 0.087 0.000 0.711 496 N CB -0.660 37.865 38.487 0.063 0.000 1.065 496 N HN 0.101 nan 8.380 nan 0.000 0.556 497 M N -0.117 119.550 119.600 0.111 0.000 2.644 497 M HA 0.471 4.951 4.480 -0.000 0.000 0.316 497 M C -2.061 174.296 176.300 0.096 0.000 1.200 497 M CA -2.010 53.340 55.300 0.082 0.000 0.944 497 M CB 0.798 33.445 32.600 0.079 0.000 1.691 497 M HN -0.200 nan 8.290 nan 0.000 0.471 498 P HA -0.052 nan 4.420 nan 0.000 0.261 498 P C -0.620 176.826 177.300 0.243 0.000 1.173 498 P CA 0.235 63.424 63.100 0.148 0.000 0.760 498 P CB 0.176 31.964 31.700 0.147 0.000 0.783 499 Q N 6.849 126.740 119.800 0.153 0.000 2.293 499 Q HA 0.206 4.546 4.340 -0.000 0.000 0.263 499 Q C -2.306 173.651 176.000 -0.073 0.000 1.002 499 Q CA -2.033 53.808 55.803 0.062 0.000 0.910 499 Q CB -0.107 28.621 28.738 -0.016 0.000 1.185 499 Q HN 0.279 nan 8.270 nan 0.000 0.401 500 P HA 0.114 nan 4.420 nan 0.000 0.271 500 P C -1.058 175.761 177.300 -0.802 0.000 1.216 500 P CA -0.123 62.557 63.100 -0.699 0.000 0.776 500 P CB 1.017 32.404 31.700 -0.522 0.000 0.881 501 T N 2.952 116.803 114.554 -1.172 0.000 2.921 501 T HA 0.500 4.850 4.350 -0.000 0.000 0.297 501 T C -0.534 173.509 174.700 -1.095 0.000 1.013 501 T CA -0.133 61.298 62.100 -1.115 0.000 0.990 501 T CB 0.407 68.315 68.868 -1.601 0.000 1.023 501 T HN 0.041 nan 8.240 nan 0.000 0.447 502 F N 1.889 121.587 119.950 -0.421 0.000 2.397 502 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 502 F C 0.783 176.555 175.800 -0.046 0.000 1.090 502 F CA -0.861 57.011 58.000 -0.213 0.000 1.065 502 F CB 0.960 39.879 39.000 -0.135 0.000 1.184 502 F HN 0.389 nan 8.300 nan 0.000 0.499 503 D N 3.117 123.707 120.400 0.317 0.000 2.408 503 D HA 0.221 4.861 4.640 -0.000 0.000 0.261 503 D C -1.793 174.649 176.300 0.238 0.000 1.190 503 D CA -0.112 54.050 54.000 0.269 0.000 0.910 503 D CB 0.374 41.349 40.800 0.291 0.000 1.097 503 D HN 0.313 nan 8.370 nan 0.000 0.522 504 F N 3.454 123.406 119.950 0.003 0.000 2.574 504 F HA 0.537 5.064 4.527 -0.000 0.000 0.313 504 F C -1.257 174.447 175.800 -0.161 0.000 1.130 504 F CA -0.627 57.312 58.000 -0.102 0.000 0.936 504 F CB 1.312 40.193 39.000 -0.199 0.000 1.219 504 F HN 0.006 nan 8.300 nan 0.000 0.445 505 R N 4.799 124.750 120.500 -0.914 0.000 2.686 505 R HA 0.355 4.695 4.340 -0.000 0.000 0.283 505 R C -1.485 174.144 176.300 -1.118 0.000 0.978 505 R CA -0.973 54.683 56.100 -0.740 0.000 0.897 505 R CB 1.714 31.822 30.300 -0.319 0.000 1.192 505 R HN 0.582 nan 8.270 nan 0.000 0.457 506 F N 3.159 122.834 119.950 -0.459 0.000 2.602 506 F HA 0.096 4.623 4.527 -0.000 0.000 0.385 506 F C -1.253 174.416 175.800 -0.219 0.000 1.063 506 F CA -0.684 57.173 58.000 -0.237 0.000 1.233 506 F CB -0.244 38.750 39.000 -0.010 0.000 1.067 506 F HN 0.173 nan 8.300 nan 0.000 0.564 507 P HA 0.152 nan 4.420 nan 0.000 0.269 507 P C -0.673 176.651 177.300 0.039 0.000 1.209 507 P CA -0.240 62.855 63.100 -0.010 0.000 0.776 507 P CB 0.557 32.269 31.700 0.019 0.000 0.876 508 A N 2.325 125.151 122.820 0.011 0.000 2.386 508 A HA 0.575 4.895 4.320 -0.000 0.000 0.246 508 A C 1.079 178.682 177.584 0.031 0.000 1.089 508 A CA 0.801 52.849 52.037 0.017 0.000 0.790 508 A CB -0.905 18.096 19.000 0.002 0.000 1.042 508 A HN 0.826 nan 8.150 nan 0.000 0.497 509 G N 0.195 109.014 108.800 0.032 0.000 2.513 509 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.227 509 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.227 509 G C 1.057 175.990 174.900 0.055 0.000 1.176 509 G CA 0.699 45.823 45.100 0.041 0.000 0.967 509 G HN 1.046 nan 8.290 nan 0.000 0.587 510 R N -0.026 120.514 120.500 0.067 0.000 2.081 510 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 510 R C 2.740 179.100 176.300 0.100 0.000 1.131 510 R CA 2.670 58.819 56.100 0.083 0.000 0.960 510 R CB -0.912 29.439 30.300 0.086 0.000 0.856 510 R HN 0.605 nan 8.270 nan 0.000 0.436 511 T N 0.198 114.814 114.554 0.104 0.000 2.684 511 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 511 T C 1.926 176.678 174.700 0.086 0.000 1.036 511 T CA 1.867 64.041 62.100 0.123 0.000 1.148 511 T CB -0.169 68.791 68.868 0.152 0.000 0.863 511 T HN 0.280 nan 8.240 nan 0.000 0.436 512 S N 0.512 116.248 115.700 0.060 0.000 2.371 512 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 512 S C 2.021 176.631 174.600 0.016 0.000 1.029 512 S CA 0.932 59.139 58.200 0.012 0.000 0.978 512 S CB -0.170 63.035 63.200 0.008 0.000 0.833 512 S HN 0.519 nan 8.310 nan 0.000 0.466 513 K N 1.449 121.875 120.400 0.044 0.000 2.057 513 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 513 K C 1.827 178.478 176.600 0.084 0.000 1.049 513 K CA 1.450 57.769 56.287 0.054 0.000 0.931 513 K CB -0.122 32.416 32.500 0.063 0.000 0.714 513 K HN 0.342 nan 8.250 nan 0.000 0.440 514 E N -0.041 120.235 120.200 0.126 0.000 2.150 514 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 514 E C 1.950 178.619 176.600 0.115 0.000 0.985 514 E CA 0.871 57.399 56.400 0.213 0.000 0.814 514 E CB -0.080 29.791 29.700 0.284 0.000 0.752 514 E HN 0.469 nan 8.360 nan 0.000 0.466 515 A N 1.326 124.187 122.820 0.069 0.000 1.902 515 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 515 A C 2.076 179.692 177.584 0.054 0.000 1.181 515 A CA 1.711 53.775 52.037 0.045 0.000 0.623 515 A CB -0.303 18.696 19.000 -0.001 0.000 0.818 515 A HN 0.105 nan 8.150 nan 0.000 0.443 516 E N 0.515 120.744 120.200 0.048 0.000 2.112 516 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 516 E C 1.326 177.888 176.600 -0.063 0.000 0.979 516 E CA 1.306 57.731 56.400 0.042 0.000 0.814 516 E CB -0.305 29.410 29.700 0.025 0.000 0.762 516 E HN 0.518 nan 8.360 nan 0.000 0.460 517 D N 0.051 120.413 120.400 -0.063 0.000 2.158 517 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 517 D C 1.926 177.926 176.300 -0.499 0.000 0.995 517 D CA 1.278 55.216 54.000 -0.103 0.000 0.846 517 D CB -0.340 40.545 40.800 0.143 0.000 0.941 517 D HN 0.318 nan 8.370 nan 0.000 0.456 518 M N -0.334 118.747 119.600 -0.866 0.000 2.132 518 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 518 M C 2.076 177.937 176.300 -0.731 0.000 1.065 518 M CA 1.161 55.633 55.300 -1.381 0.000 1.122 518 M CB 0.015 32.021 32.600 -0.989 0.000 1.365 518 M HN -0.036 nan 8.290 nan 0.000 0.411 519 M N 0.362 119.664 119.600 -0.496 0.000 2.065 519 M HA -0.162 4.318 4.480 -0.000 0.000 0.259 519 M C 1.797 177.875 176.300 -0.371 0.000 1.069 519 M CA 2.408 57.431 55.300 -0.462 0.000 1.110 519 M CB -0.963 31.446 32.600 -0.319 0.000 1.328 519 M HN 0.252 nan 8.290 nan 0.000 0.405 520 T N -0.045 114.358 114.554 -0.251 0.000 2.788 520 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 520 T C 1.470 176.084 174.700 -0.144 0.000 1.044 520 T CA 1.790 63.796 62.100 -0.156 0.000 1.139 520 T CB -0.590 68.230 68.868 -0.079 0.000 0.867 520 T HN 0.542 nan 8.240 nan 0.000 0.454 521 D N 0.484 120.784 120.400 -0.167 0.000 2.117 521 D HA -0.039 4.601 4.640 -0.000 0.000 0.197 521 D C 2.069 178.305 176.300 -0.106 0.000 0.987 521 D CA 0.802 54.807 54.000 0.008 0.000 0.829 521 D CB -0.207 40.714 40.800 0.202 0.000 0.961 521 D HN 0.262 nan 8.370 nan 0.000 0.460 522 M N -0.451 118.825 119.600 -0.541 0.000 2.117 522 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 522 M C 1.961 177.943 176.300 -0.530 0.000 1.065 522 M CA 1.273 56.012 55.300 -0.934 0.000 1.114 522 M CB -0.168 31.631 32.600 -1.335 0.000 1.361 522 M HN 0.217 nan 8.290 nan 0.000 0.408 523 C N -0.361 118.731 119.300 -0.347 0.000 2.413 523 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 523 C C 2.670 177.557 174.990 -0.172 0.000 1.228 523 C CA 1.094 60.015 59.018 -0.162 0.000 1.731 523 C CB -1.018 26.669 27.740 -0.089 0.000 2.042 523 C HN 0.501 nan 8.230 nan 0.000 0.468 524 V N 0.497 120.341 119.914 -0.116 0.000 2.295 524 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 524 V C 2.380 178.445 176.094 -0.048 0.000 1.049 524 V CA 2.345 64.610 62.300 -0.058 0.000 1.024 524 V CB -0.704 31.138 31.823 0.032 0.000 0.648 524 V HN 0.587 nan 8.190 nan 0.000 0.447 525 M N 0.770 120.376 119.600 0.011 0.000 2.086 525 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 525 M C 2.517 178.697 176.300 -0.200 0.000 1.067 525 M CA 2.348 57.725 55.300 0.127 0.000 1.116 525 M CB -0.219 32.590 32.600 0.349 0.000 1.348 525 M HN 0.584 nan 8.290 nan 0.000 0.407 526 S N 0.686 115.937 115.700 -0.747 0.000 2.383 526 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 526 S C 2.024 176.247 174.600 -0.630 0.000 1.030 526 S CA 1.159 58.571 58.200 -1.313 0.000 1.002 526 S CB -1.027 61.260 63.200 -1.522 0.000 0.829 526 S HN 0.589 nan 8.310 nan 0.000 0.467 527 A N 1.939 124.476 122.820 -0.471 0.000 2.084 527 A HA -0.091 4.229 4.320 -0.000 0.000 0.221 527 A C 2.163 179.620 177.584 -0.212 0.000 1.161 527 A CA 1.643 53.463 52.037 -0.362 0.000 0.653 527 A CB -0.616 18.209 19.000 -0.291 0.000 0.802 527 A HN 0.655 nan 8.150 nan 0.000 0.457 528 K N -0.880 119.439 120.400 -0.135 0.000 2.366 528 K HA 0.095 4.415 4.320 -0.000 0.000 0.198 528 K C 1.113 177.707 176.600 -0.010 0.000 1.044 528 K CA 0.609 56.867 56.287 -0.049 0.000 0.973 528 K CB 0.084 32.594 32.500 0.017 0.000 0.767 528 K HN 0.416 nan 8.250 nan 0.000 0.475 529 I N -0.971 119.604 120.570 0.007 0.000 3.445 529 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 529 I C 1.072 177.201 176.117 0.020 0.000 1.198 529 I CA 0.535 61.890 61.300 0.092 0.000 1.417 529 I CB 0.249 38.446 38.000 0.328 0.000 1.205 529 I HN 0.101 nan 8.210 nan 0.000 0.448 530 G N -0.546 108.208 108.800 -0.076 0.000 2.320 530 G HA2 0.458 4.418 3.960 -0.000 0.000 0.296 530 G HA3 0.458 4.418 3.960 -0.000 0.000 0.296 530 G C -0.815 173.926 174.900 -0.266 0.000 1.306 530 G CA -0.116 44.914 45.100 -0.118 0.000 0.836 530 G HN 0.284 nan 8.290 nan 0.000 0.517 531 G N -1.282 107.363 108.800 -0.258 0.000 2.522 531 G HA2 0.602 4.562 3.960 -0.000 0.000 0.304 531 G HA3 0.602 4.562 3.960 -0.000 0.000 0.304 531 G C -0.504 174.195 174.900 -0.334 0.000 1.210 531 G CA -0.680 44.168 45.100 -0.420 0.000 0.960 531 G HN 0.437 nan 8.290 nan 0.000 0.497 532 F N -0.659 119.208 119.950 -0.137 0.000 2.518 532 F HA 0.224 4.751 4.527 -0.000 0.000 0.359 532 F C 0.705 176.456 175.800 -0.082 0.000 1.118 532 F CA -0.696 57.219 58.000 -0.141 0.000 1.287 532 F CB 0.838 39.748 39.000 -0.151 0.000 1.132 532 F HN 0.154 nan 8.300 nan 0.000 0.587 533 L N 6.234 127.541 121.223 0.140 0.000 2.361 533 L HA 0.393 4.733 4.340 -0.000 0.000 0.278 533 L C -2.424 174.503 176.870 0.094 0.000 1.113 533 L CA -1.899 52.997 54.840 0.093 0.000 0.849 533 L CB -0.004 42.106 42.059 0.085 0.000 1.155 533 L HN 0.281 nan 8.230 nan 0.000 0.452 534 P HA 0.194 nan 4.420 nan 0.000 0.264 534 P C 0.654 177.999 177.300 0.073 0.000 1.183 534 P CA 1.001 64.142 63.100 0.068 0.000 0.763 534 P CB 0.670 32.406 31.700 0.058 0.000 0.807 535 G N 2.054 110.887 108.800 0.054 0.000 2.205 535 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.261 535 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.261 535 G C 0.682 175.635 174.900 0.088 0.000 0.980 535 G CA 0.338 45.478 45.100 0.068 0.000 0.632 535 G HN 0.528 nan 8.290 nan 0.000 0.533 536 S N 0.733 116.471 115.700 0.064 0.000 2.751 536 S HA 0.561 5.031 4.470 -0.000 0.000 0.247 536 S C 0.999 175.527 174.600 -0.120 0.000 1.103 536 S CA 0.273 58.506 58.200 0.056 0.000 1.090 536 S CB 0.475 63.715 63.200 0.065 0.000 0.928 536 S HN 1.127 nan 8.310 nan 0.000 0.502 537 G N 2.642 111.325 108.800 -0.194 0.000 2.651 537 G HA2 0.403 4.363 3.960 -0.000 0.000 0.260 537 G HA3 0.403 4.363 3.960 -0.000 0.000 0.260 537 G C -2.877 171.712 174.900 -0.518 0.000 1.216 537 G CA -1.320 43.469 45.100 -0.519 0.000 0.913 537 G HN 0.124 nan 8.290 nan 0.000 0.535 538 P HA 0.097 nan 4.420 nan 0.000 0.264 538 P C -0.491 176.613 177.300 -0.326 0.000 1.183 538 P CA 0.534 63.297 63.100 -0.562 0.000 0.763 538 P CB 0.494 31.819 31.700 -0.626 0.000 0.807 539 Q N 1.236 120.889 119.800 -0.245 0.000 2.479 539 Q HA 0.453 4.793 4.340 -0.000 0.000 0.276 539 Q C -1.406 174.495 176.000 -0.164 0.000 0.989 539 Q CA -0.822 54.920 55.803 -0.101 0.000 0.864 539 Q CB 0.588 29.327 28.738 0.002 0.000 1.444 539 Q HN 0.098 nan 8.270 nan 0.000 0.388 540 F N 1.551 121.459 119.950 -0.070 0.000 2.429 540 F HA 0.296 4.823 4.527 -0.000 0.000 0.348 540 F C 0.731 176.511 175.800 -0.033 0.000 1.109 540 F CA -0.191 57.771 58.000 -0.063 0.000 1.232 540 F CB 0.841 39.794 39.000 -0.078 0.000 1.157 540 F HN 0.382 nan 8.300 nan 0.000 0.564 541 M N 1.493 121.164 119.600 0.118 0.000 2.291 541 M HA 0.137 4.617 4.480 -0.000 0.000 0.324 541 M C 0.176 176.527 176.300 0.086 0.000 1.148 541 M CA -0.524 54.808 55.300 0.053 0.000 1.104 541 M CB 0.788 33.377 32.600 -0.018 0.000 1.483 541 M HN 0.586 nan 8.290 nan 0.000 0.467 542 E N 2.966 123.186 120.200 0.033 0.000 2.652 542 E HA -0.031 4.319 4.350 -0.000 0.000 0.255 542 E C -2.120 174.501 176.600 0.036 0.000 0.952 542 E CA -1.095 55.319 56.400 0.024 0.000 0.947 542 E CB 0.318 30.005 29.700 -0.022 0.000 0.912 542 E HN 0.182 nan 8.360 nan 0.000 0.489 543 P HA 0.014 nan 4.420 nan 0.000 0.262 543 P C 0.324 177.552 177.300 -0.120 0.000 1.199 543 P CA 1.088 64.215 63.100 0.046 0.000 0.763 543 P CB 0.611 32.318 31.700 0.012 0.000 0.790 544 G N 2.620 111.356 108.800 -0.108 0.000 2.213 544 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.226 544 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.226 544 G C 0.692 175.544 174.900 -0.081 0.000 0.992 544 G CA 0.150 45.150 45.100 -0.167 0.000 0.632 544 G HN 0.528 nan 8.290 nan 0.000 0.511 545 L N 1.265 122.456 121.223 -0.053 0.000 2.131 545 L HA 0.183 4.523 4.340 -0.000 0.000 0.210 545 L C 2.801 179.653 176.870 -0.030 0.000 1.092 545 L CA 2.509 57.322 54.840 -0.045 0.000 0.759 545 L CB -0.669 41.357 42.059 -0.055 0.000 0.903 545 L HN 0.365 nan 8.230 nan 0.000 0.435 546 V N -0.090 119.810 119.914 -0.022 0.000 2.250 546 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 546 V C 1.812 177.818 176.094 -0.146 0.000 1.060 546 V CA 2.213 64.486 62.300 -0.046 0.000 1.030 546 V CB -0.169 31.674 31.823 0.034 0.000 0.643 546 V HN 0.590 nan 8.190 nan 0.000 0.445 547 L N -1.455 119.741 121.223 -0.045 0.000 4.192 547 L HA -0.201 4.139 4.340 -0.000 0.000 0.403 547 L C 0.201 177.195 176.870 0.207 0.000 1.163 547 L CA 0.644 55.519 54.840 0.059 0.000 0.937 547 L CB -2.381 39.741 42.059 0.105 0.000 2.134 547 L HN 0.554 nan 8.230 nan 0.000 0.754 548 H N -0.193 118.987 119.070 0.183 0.000 2.533 548 H HA 0.332 4.888 4.556 0.000 0.000 0.281 548 H C 0.409 175.873 175.328 0.227 0.000 1.238 548 H CA -1.097 55.096 56.048 0.240 0.000 1.024 548 H CB 0.566 30.524 29.762 0.326 0.000 1.604 548 H HN 0.111 nan 8.280 nan 0.000 0.531 549 L N 1.995 123.359 121.223 0.236 0.000 2.559 549 L HA 0.183 4.523 4.340 -0.000 0.000 0.274 549 L C 0.649 177.647 176.870 0.214 0.000 1.205 549 L CA 0.667 55.598 54.840 0.151 0.000 0.907 549 L CB 0.192 42.310 42.059 0.098 0.000 1.153 549 L HN 0.387 nan 8.230 nan 0.000 0.490 550 G N 2.033 110.973 108.800 0.232 0.000 2.730 550 G HA2 0.541 4.501 3.960 -0.000 0.000 0.289 550 G HA3 0.541 4.501 3.960 -0.000 0.000 0.289 550 G C 0.375 175.380 174.900 0.175 0.000 1.341 550 G CA -0.278 44.980 45.100 0.265 0.000 0.932 550 G HN 1.311 nan 8.290 nan 0.000 0.481 551 G N -1.165 107.709 108.800 0.123 0.000 2.184 551 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 551 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 551 G C 1.449 176.418 174.900 0.114 0.000 0.975 551 G CA 1.642 46.819 45.100 0.129 0.000 0.642 551 G HN 1.890 nan 8.290 nan 0.000 0.536 552 T N -1.851 112.733 114.554 0.049 0.000 2.962 552 T HA 0.078 4.428 4.350 -0.000 0.000 0.270 552 T C 1.139 175.934 174.700 0.158 0.000 1.088 552 T CA 1.952 64.118 62.100 0.110 0.000 1.127 552 T CB -0.326 68.614 68.868 0.121 0.000 0.883 552 T HN 1.531 nan 8.240 nan 0.000 0.493 553 H N -0.193 118.947 119.070 0.116 0.000 2.712 553 H HA 0.460 5.016 4.556 -0.000 0.000 0.226 553 H C -0.084 175.283 175.328 0.064 0.000 1.422 553 H CA -1.304 54.788 56.048 0.075 0.000 1.270 553 H CB -0.289 29.483 29.762 0.018 0.000 1.891 553 H HN 0.354 nan 8.280 nan 0.000 0.518 554 R N 0.820 121.393 120.500 0.121 0.000 2.641 554 R HA 0.272 4.612 4.340 -0.000 0.000 0.269 554 R C -0.374 175.975 176.300 0.081 0.000 1.074 554 R CA -0.675 55.468 56.100 0.071 0.000 1.133 554 R CB 0.984 31.321 30.300 0.063 0.000 1.029 554 R HN 0.490 nan 8.270 nan 0.000 0.488 555 M N 1.804 121.427 119.600 0.039 0.000 2.249 555 M HA 0.438 4.918 4.480 -0.000 0.000 0.351 555 M C -0.555 175.730 176.300 -0.024 0.000 1.180 555 M CA 0.211 55.510 55.300 -0.001 0.000 1.127 555 M CB 1.530 34.104 32.600 -0.042 0.000 1.546 555 M HN 0.947 nan 8.290 nan 0.000 0.461 556 G N 2.320 111.112 108.800 -0.013 0.000 2.606 556 G HA2 0.441 4.401 3.960 -0.000 0.000 0.300 556 G HA3 0.441 4.401 3.960 -0.000 0.000 0.300 556 G C -0.940 173.934 174.900 -0.043 0.000 1.360 556 G CA -0.650 44.401 45.100 -0.082 0.000 0.783 556 G HN 0.677 nan 8.290 nan 0.000 0.484 557 F N -0.142 119.904 119.950 0.159 0.000 2.219 557 F HA 0.283 4.810 4.527 0.000 0.000 0.294 557 F C 1.038 176.961 175.800 0.204 0.000 1.086 557 F CA 0.919 59.015 58.000 0.161 0.000 1.330 557 F CB 0.410 39.464 39.000 0.090 0.000 1.047 557 F HN 0.342 nan 8.300 nan 0.000 0.495 558 D N -0.893 119.664 120.400 0.262 0.000 2.629 558 D HA 0.129 4.769 4.640 -0.000 0.000 0.250 558 D C 0.750 176.919 176.300 -0.217 0.000 1.126 558 D CA -0.221 53.786 54.000 0.012 0.000 0.852 558 D CB 1.386 42.204 40.800 0.031 0.000 1.335 558 D HN 0.101 nan 8.370 nan 0.000 0.518 559 E N 3.245 123.004 120.200 -0.736 0.000 2.038 559 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 559 E C 1.326 177.766 176.600 -0.265 0.000 1.000 559 E CA 1.240 57.188 56.400 -0.753 0.000 0.803 559 E CB 0.263 29.334 29.700 -1.049 0.000 0.750 559 E HN 0.420 nan 8.360 nan 0.000 0.448 560 K N 0.001 120.279 120.400 -0.203 0.000 2.044 560 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 560 K C 1.979 178.550 176.600 -0.047 0.000 1.049 560 K CA 1.486 57.720 56.287 -0.088 0.000 0.945 560 K CB 0.103 32.563 32.500 -0.067 0.000 0.724 560 K HN 0.067 nan 8.250 nan 0.000 0.440 561 E N 0.294 120.469 120.200 -0.042 0.000 2.158 561 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 561 E C 0.731 177.333 176.600 0.003 0.000 0.982 561 E CA 0.993 57.390 56.400 -0.004 0.000 0.823 561 E CB 0.274 29.982 29.700 0.013 0.000 0.766 561 E HN 0.304 nan 8.360 nan 0.000 0.468 562 D N 0.123 120.520 120.400 -0.006 0.000 2.363 562 D HA 0.053 4.693 4.640 -0.000 0.000 0.214 562 D C -0.616 175.630 176.300 -0.091 0.000 1.093 562 D CA -0.000 53.993 54.000 -0.012 0.000 0.837 562 D CB 0.042 40.870 40.800 0.047 0.000 0.948 562 D HN 0.075 nan 8.370 nan 0.000 0.507 563 N N 0.626 119.272 118.700 -0.089 0.000 2.688 563 N HA -0.190 4.550 4.740 -0.000 0.000 0.258 563 N C -0.170 175.272 175.510 -0.115 0.000 1.016 563 N CA 0.534 53.513 53.050 -0.118 0.000 0.747 563 N CB -1.390 36.926 38.487 -0.286 0.000 0.895 563 N HN 0.417 nan 8.380 nan 0.000 0.543 564 C N -3.437 115.866 119.300 0.006 0.000 3.161 564 C HA 0.782 5.242 4.460 -0.000 0.000 0.330 564 C C 1.541 176.691 174.990 0.268 0.000 1.396 564 C CA -0.668 58.424 59.018 0.123 0.000 1.536 564 C CB 1.575 29.413 27.740 0.163 0.000 1.978 564 C HN 0.489 nan 8.230 nan 0.000 0.454 565 C N 0.086 119.576 119.300 0.317 0.000 2.735 565 C HA 0.459 4.919 4.460 -0.000 0.000 0.444 565 C C 0.786 175.881 174.990 0.175 0.000 1.331 565 C CA 0.624 59.831 59.018 0.315 0.000 2.225 565 C CB -0.390 27.459 27.740 0.181 0.000 2.917 565 C HN 0.936 nan 8.230 nan 0.000 0.567 566 V N 1.506 121.409 119.914 -0.018 0.000 2.960 566 V HA 0.721 4.841 4.120 -0.000 0.000 0.315 566 V C -0.686 175.081 176.094 -0.546 0.000 1.087 566 V CA -0.613 61.441 62.300 -0.410 0.000 0.982 566 V CB 1.510 33.209 31.823 -0.207 0.000 1.039 566 V HN 0.451 nan 8.190 nan 0.000 0.437 567 N N 0.576 118.799 118.700 -0.794 0.000 2.514 567 N HA 0.269 5.009 4.740 -0.000 0.000 0.299 567 N C 1.020 176.380 175.510 -0.251 0.000 1.292 567 N CA 0.215 52.996 53.050 -0.450 0.000 0.963 567 N CB -0.146 38.087 38.487 -0.423 0.000 1.124 567 N HN 0.921 nan 8.380 nan 0.000 0.580 568 T N -4.674 109.773 114.554 -0.178 0.000 3.118 568 T HA 0.032 4.382 4.350 -0.000 0.000 0.260 568 T C 0.085 174.701 174.700 -0.139 0.000 1.139 568 T CA 0.603 62.602 62.100 -0.169 0.000 1.085 568 T CB -0.384 68.399 68.868 -0.141 0.000 0.934 568 T HN 0.435 nan 8.240 nan 0.000 0.518 569 D N 0.884 121.195 120.400 -0.148 0.000 2.349 569 D HA 0.201 4.841 4.640 -0.000 0.000 0.214 569 D C 0.503 176.813 176.300 0.017 0.000 1.063 569 D CA 0.094 54.034 54.000 -0.099 0.000 0.847 569 D CB 0.228 40.866 40.800 -0.271 0.000 0.933 569 D HN 0.329 nan 8.370 nan 0.000 0.513 570 S N 0.180 115.849 115.700 -0.051 0.000 3.482 570 S HA -0.225 4.245 4.470 -0.000 0.000 0.294 570 S C 0.486 175.075 174.600 -0.017 0.000 1.244 570 S CA 0.363 58.573 58.200 0.016 0.000 0.911 570 S CB -1.257 62.031 63.200 0.146 0.000 1.070 570 S HN 0.469 nan 8.310 nan 0.000 0.614 571 R N 1.185 121.544 120.500 -0.236 0.000 2.349 571 R HA 0.528 4.868 4.340 -0.000 0.000 0.299 571 R C -0.090 175.887 176.300 -0.539 0.000 1.027 571 R CA -0.411 55.331 56.100 -0.596 0.000 0.958 571 R CB 0.758 30.660 30.300 -0.662 0.000 1.047 571 R HN 0.121 nan 8.270 nan 0.000 0.468 572 V N 5.896 125.531 119.914 -0.465 0.000 2.572 572 V HA 0.047 4.167 4.120 -0.000 0.000 0.291 572 V C 0.099 176.130 176.094 -0.105 0.000 1.039 572 V CA 0.126 62.251 62.300 -0.291 0.000 1.055 572 V CB 0.101 31.744 31.823 -0.299 0.000 0.969 572 V HN 0.575 nan 8.190 nan 0.000 0.482 573 F N 3.787 123.776 119.950 0.065 0.000 2.608 573 F HA 0.422 4.949 4.527 -0.000 0.000 0.380 573 F C 1.524 177.444 175.800 0.200 0.000 1.083 573 F CA 1.397 59.456 58.000 0.100 0.000 1.266 573 F CB 0.149 39.203 39.000 0.089 0.000 1.076 573 F HN 0.781 nan 8.300 nan 0.000 0.574 574 G N 2.300 111.269 108.800 0.281 0.000 2.217 574 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 574 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 574 G C -0.185 174.589 174.900 -0.210 0.000 0.990 574 G CA -0.501 44.637 45.100 0.063 0.000 0.627 574 G HN 0.441 nan 8.290 nan 0.000 0.522 575 F N 0.983 120.961 119.950 0.046 0.000 2.427 575 F HA 0.582 5.109 4.527 0.000 0.000 0.348 575 F C 1.264 177.049 175.800 -0.026 0.000 1.125 575 F CA -0.964 57.047 58.000 0.019 0.000 0.989 575 F CB 1.754 40.764 39.000 0.015 0.000 1.165 575 F HN -0.195 nan 8.300 nan 0.000 0.442 576 K N 1.775 122.268 120.400 0.155 0.000 2.147 576 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 576 K C 0.774 177.576 176.600 0.337 0.000 1.049 576 K CA 1.328 57.749 56.287 0.224 0.000 0.936 576 K CB 0.063 32.706 32.500 0.239 0.000 0.722 576 K HN 0.701 nan 8.250 nan 0.000 0.446 577 N N -0.210 118.659 118.700 0.281 0.000 2.387 577 N HA 0.025 4.765 4.740 -0.000 0.000 0.259 577 N C -0.887 174.748 175.510 0.209 0.000 1.369 577 N CA -0.323 52.936 53.050 0.349 0.000 0.867 577 N CB -0.083 38.657 38.487 0.421 0.000 1.341 577 N HN -0.079 nan 8.380 nan 0.000 0.495 578 L N 0.677 121.812 121.223 -0.147 0.000 2.376 578 L HA 0.713 5.053 4.340 -0.000 0.000 0.275 578 L C -1.853 174.646 176.870 -0.617 0.000 0.987 578 L CA -0.546 54.172 54.840 -0.203 0.000 0.828 578 L CB 1.052 42.979 42.059 -0.219 0.000 1.249 578 L HN -0.015 nan 8.230 nan 0.000 0.409 579 F N 4.858 124.725 119.950 -0.137 0.000 2.576 579 F HA 0.684 5.211 4.527 -0.000 0.000 0.313 579 F C -0.676 174.976 175.800 -0.247 0.000 1.078 579 F CA -0.697 57.205 58.000 -0.164 0.000 0.921 579 F CB 1.924 40.857 39.000 -0.113 0.000 1.232 579 F HN 0.166 nan 8.300 nan 0.000 0.459 580 L N 1.801 122.992 121.223 -0.054 0.000 2.365 580 L HA 0.881 5.221 4.340 -0.000 0.000 0.273 580 L C -0.065 176.818 176.870 0.022 0.000 1.000 580 L CA -0.801 53.935 54.840 -0.173 0.000 0.819 580 L CB 2.041 43.852 42.059 -0.414 0.000 1.284 580 L HN 0.793 nan 8.230 nan 0.000 0.418 581 G N 0.326 109.151 108.800 0.041 0.000 2.519 581 G HA2 0.812 4.772 3.960 -0.000 0.000 0.307 581 G HA3 0.812 4.772 3.960 -0.000 0.000 0.307 581 G C -0.494 174.526 174.900 0.201 0.000 1.266 581 G CA -0.287 44.931 45.100 0.197 0.000 0.970 581 G HN 0.971 nan 8.290 nan 0.000 0.481 582 G N -1.415 107.489 108.800 0.172 0.000 2.353 582 G HA2 0.048 4.008 3.960 -0.000 0.000 0.615 582 G HA3 0.048 4.008 3.960 -0.000 0.000 0.615 582 G C 0.801 175.738 174.900 0.062 0.000 1.280 582 G CA 0.058 45.229 45.100 0.120 0.000 1.000 582 G HN 1.207 nan 8.290 nan 0.000 0.516 583 C N 0.657 119.972 119.300 0.025 0.000 2.419 583 C HA 0.200 4.660 4.460 -0.000 0.000 0.281 583 C C 3.094 178.050 174.990 -0.056 0.000 1.336 583 C CA 1.810 60.821 59.018 -0.013 0.000 1.770 583 C CB -1.375 26.396 27.740 0.051 0.000 1.929 583 C HN 1.352 nan 8.230 nan 0.000 0.509 584 G N 1.320 110.006 108.800 -0.190 0.000 2.499 584 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.221 584 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.221 584 G C 1.406 175.916 174.900 -0.649 0.000 1.109 584 G CA 0.907 45.641 45.100 -0.610 0.000 0.749 584 G HN 0.566 nan 8.290 nan 0.000 0.568 585 N N 0.250 118.769 118.700 -0.301 0.000 2.396 585 N HA 0.028 4.768 4.740 -0.000 0.000 0.180 585 N C 0.872 176.377 175.510 -0.010 0.000 1.028 585 N CA 0.162 53.187 53.050 -0.041 0.000 0.893 585 N CB 0.058 38.587 38.487 0.070 0.000 0.967 585 N HN 0.307 nan 8.380 nan 0.000 0.440 586 I N 3.142 123.708 120.570 -0.005 0.000 2.436 586 I HA 0.043 4.213 4.170 -0.000 0.000 0.289 586 I C -1.340 174.860 176.117 0.138 0.000 1.083 586 I CA -1.072 60.256 61.300 0.047 0.000 1.372 586 I CB 1.310 39.275 38.000 -0.060 0.000 1.408 586 I HN -0.073 nan 8.210 nan 0.000 0.516 587 P HA 0.052 nan 4.420 nan 0.000 0.261 587 P C 0.198 177.590 177.300 0.154 0.000 1.268 587 P CA 0.211 63.380 63.100 0.115 0.000 0.833 587 P CB 0.102 31.829 31.700 0.044 0.000 1.231 588 T N -2.520 112.167 114.554 0.221 0.000 2.923 588 T HA 0.691 5.041 4.350 -0.000 0.000 0.281 588 T C 0.096 174.935 174.700 0.232 0.000 0.995 588 T CA -0.925 61.292 62.100 0.196 0.000 0.985 588 T CB 1.327 70.292 68.868 0.161 0.000 1.114 588 T HN 0.035 nan 8.240 nan 0.000 0.548 589 A N 1.793 124.683 122.820 0.117 0.000 2.310 589 A HA 0.602 4.922 4.320 -0.000 0.000 0.300 589 A C -0.652 176.911 177.584 -0.035 0.000 1.269 589 A CA -0.846 51.209 52.037 0.030 0.000 0.909 589 A CB -0.935 18.102 19.000 0.062 0.000 1.144 589 A HN 0.853 nan 8.150 nan 0.000 0.540 590 Y N -0.072 120.165 120.300 -0.106 0.000 2.462 590 Y HA 0.720 5.270 4.550 0.000 0.000 0.346 590 Y C 0.761 176.562 175.900 -0.165 0.000 0.976 590 Y CA -0.724 57.144 58.100 -0.388 0.000 1.044 590 Y CB 1.375 39.439 38.460 -0.661 0.000 1.230 590 Y HN 0.382 nan 8.280 nan 0.000 0.455 591 G N 0.984 109.718 108.800 -0.110 0.000 2.559 591 G HA2 0.341 4.301 3.960 -0.000 0.000 0.209 591 G HA3 0.341 4.301 3.960 -0.000 0.000 0.209 591 G C 0.531 175.517 174.900 0.142 0.000 1.151 591 G CA 0.174 45.392 45.100 0.197 0.000 0.824 591 G HN 0.967 nan 8.290 nan 0.000 0.543 592 A N 0.648 123.376 122.820 -0.154 0.000 2.386 592 A HA 0.414 4.734 4.320 -0.000 0.000 0.246 592 A C -0.048 177.443 177.584 -0.154 0.000 1.089 592 A CA -0.376 51.450 52.037 -0.352 0.000 0.790 592 A CB -0.062 18.712 19.000 -0.378 0.000 1.042 592 A HN 0.407 nan 8.150 nan 0.000 0.497 593 N N 1.940 120.406 118.700 -0.389 0.000 2.452 593 N HA 0.223 4.963 4.740 -0.000 0.000 0.266 593 N C -1.941 173.449 175.510 -0.200 0.000 1.209 593 N CA -0.733 52.072 53.050 -0.407 0.000 0.929 593 N CB 0.612 38.925 38.487 -0.291 0.000 1.063 593 N HN 0.439 nan 8.380 nan 0.000 0.472 594 P HA -0.023 nan 4.420 nan 0.000 0.245 594 P C 0.435 177.605 177.300 -0.217 0.000 1.206 594 P CA 0.654 63.611 63.100 -0.238 0.000 0.781 594 P CB 0.334 31.857 31.700 -0.296 0.000 0.994 595 T N 0.778 115.279 114.554 -0.088 0.000 2.746 595 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 595 T C 1.766 176.534 174.700 0.114 0.000 1.039 595 T CA 0.911 63.030 62.100 0.033 0.000 1.142 595 T CB -0.761 68.161 68.868 0.089 0.000 0.866 595 T HN 0.025 nan 8.240 nan 0.000 0.444 596 L N 1.081 122.386 121.223 0.138 0.000 2.046 596 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 596 L C 2.562 179.508 176.870 0.127 0.000 1.077 596 L CA 1.756 56.730 54.840 0.223 0.000 0.747 596 L CB -1.031 41.146 42.059 0.198 0.000 0.896 596 L HN 0.192 nan 8.230 nan 0.000 0.432 597 T N -0.577 113.928 114.554 -0.083 0.000 2.821 597 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 597 T C 1.850 176.467 174.700 -0.138 0.000 1.046 597 T CA 1.153 63.123 62.100 -0.216 0.000 1.139 597 T CB -0.379 67.922 68.868 -0.945 0.000 0.871 597 T HN 0.499 nan 8.240 nan 0.000 0.454 598 A N 1.276 124.014 122.820 -0.137 0.000 1.929 598 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 598 A C 2.267 179.816 177.584 -0.058 0.000 1.176 598 A CA 1.338 53.329 52.037 -0.076 0.000 0.628 598 A CB -0.607 18.360 19.000 -0.054 0.000 0.816 598 A HN 0.513 nan 8.150 nan 0.000 0.444 599 M N -0.323 119.247 119.600 -0.050 0.000 2.175 599 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 599 M C 1.988 178.197 176.300 -0.151 0.000 1.063 599 M CA 1.929 57.170 55.300 -0.099 0.000 1.119 599 M CB -0.131 32.400 32.600 -0.115 0.000 1.377 599 M HN 0.351 nan 8.290 nan 0.000 0.415 600 S N 1.342 116.960 115.700 -0.137 0.000 2.370 600 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 600 S C 1.765 176.184 174.600 -0.300 0.000 1.033 600 S CA 1.372 59.430 58.200 -0.236 0.000 1.011 600 S CB -0.522 62.503 63.200 -0.292 0.000 0.852 600 S HN 0.516 nan 8.310 nan 0.000 0.457 601 L N 1.127 122.211 121.223 -0.231 0.000 2.046 601 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 601 L C 2.827 179.568 176.870 -0.216 0.000 1.077 601 L CA 1.146 55.848 54.840 -0.231 0.000 0.747 601 L CB -0.774 41.217 42.059 -0.113 0.000 0.896 601 L HN 0.321 nan 8.230 nan 0.000 0.432 602 A N 0.448 123.139 122.820 -0.215 0.000 1.908 602 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 602 A C 2.220 179.486 177.584 -0.531 0.000 1.181 602 A CA 1.663 53.456 52.037 -0.405 0.000 0.627 602 A CB -0.699 18.076 19.000 -0.375 0.000 0.818 602 A HN 0.365 nan 8.150 nan 0.000 0.445 603 I N -0.627 119.723 120.570 -0.368 0.000 2.226 603 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 603 I C 2.533 178.484 176.117 -0.278 0.000 1.100 603 I CA 1.888 63.002 61.300 -0.309 0.000 1.374 603 I CB -0.204 37.628 38.000 -0.280 0.000 1.057 603 I HN 0.381 nan 8.210 nan 0.000 0.413 604 K N 0.445 120.679 120.400 -0.276 0.000 2.057 604 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 604 K C 2.357 178.869 176.600 -0.148 0.000 1.049 604 K CA 1.669 57.824 56.287 -0.220 0.000 0.931 604 K CB -0.110 32.228 32.500 -0.270 0.000 0.714 604 K HN 0.122 nan 8.250 nan 0.000 0.440 605 S N 0.076 115.674 115.700 -0.170 0.000 2.370 605 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 605 S C 2.041 176.551 174.600 -0.150 0.000 1.033 605 S CA 1.540 59.685 58.200 -0.092 0.000 1.011 605 S CB -0.492 62.697 63.200 -0.018 0.000 0.852 605 S HN 0.576 nan 8.310 nan 0.000 0.457 606 C N 1.425 120.551 119.300 -0.289 0.000 2.435 606 C HA 0.020 4.480 4.460 -0.000 0.000 0.279 606 C C 2.493 177.399 174.990 -0.140 0.000 1.321 606 C CA 0.658 59.519 59.018 -0.262 0.000 1.752 606 C CB -1.464 26.081 27.740 -0.326 0.000 1.959 606 C HN 0.682 nan 8.230 nan 0.000 0.500 607 E N -0.520 119.619 120.200 -0.101 0.000 2.085 607 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 607 E C 1.832 178.434 176.600 0.003 0.000 0.994 607 E CA 1.547 57.919 56.400 -0.047 0.000 0.801 607 E CB -0.318 29.350 29.700 -0.054 0.000 0.743 607 E HN 0.821 nan 8.360 nan 0.000 0.453 608 Y N 1.292 121.556 120.300 -0.060 0.000 2.114 608 Y HA -0.239 4.311 4.550 0.000 0.000 0.284 608 Y C 2.028 177.953 175.900 0.042 0.000 1.143 608 Y CA 1.634 59.742 58.100 0.012 0.000 1.135 608 Y CB -0.135 38.371 38.460 0.076 0.000 0.980 608 Y HN -0.061 nan 8.280 nan 0.000 0.499 609 I N 0.346 120.949 120.570 0.055 0.000 2.163 609 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 609 I C 2.323 178.472 176.117 0.054 0.000 1.085 609 I CA 1.726 63.044 61.300 0.031 0.000 1.347 609 I CB -0.467 37.344 38.000 -0.315 0.000 1.044 609 I HN 0.173 nan 8.210 nan 0.000 0.408 610 K N 0.381 120.773 120.400 -0.014 0.000 2.211 610 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 610 K C 1.907 178.553 176.600 0.077 0.000 1.047 610 K CA 1.277 57.627 56.287 0.104 0.000 0.935 610 K CB -0.154 32.388 32.500 0.070 0.000 0.728 610 K HN 0.494 nan 8.250 nan 0.000 0.452 611 Q N -0.479 119.293 119.800 -0.047 0.000 2.392 611 Q HA 0.081 4.421 4.340 -0.000 0.000 0.203 611 Q C 0.933 176.806 176.000 -0.212 0.000 0.917 611 Q CA 0.250 55.983 55.803 -0.117 0.000 0.939 611 Q CB 0.516 29.165 28.738 -0.148 0.000 1.063 611 Q HN 0.265 nan 8.270 nan 0.000 0.516 612 N N -0.951 117.590 118.700 -0.264 0.000 2.166 612 N HA 0.153 4.893 4.740 -0.000 0.000 0.213 612 N C -0.857 174.237 175.510 -0.693 0.000 1.222 612 N CA 0.281 53.023 53.050 -0.513 0.000 0.900 612 N CB 1.009 39.030 38.487 -0.776 0.000 1.055 612 N HN -0.012 nan 8.380 nan 0.000 0.515 613 F N 0.215 120.177 119.950 0.021 0.000 2.588 613 F HA 0.398 4.925 4.527 0.000 0.000 0.314 613 F C 0.084 176.012 175.800 0.214 0.000 1.069 613 F CA -0.673 57.397 58.000 0.117 0.000 0.931 613 F CB 1.895 40.966 39.000 0.117 0.000 1.260 613 F HN -0.400 nan 8.300 nan 0.000 0.465 614 T N 3.087 117.840 114.554 0.332 0.000 2.807 614 T HA 0.444 4.794 4.350 -0.000 0.000 0.279 614 T C -2.674 172.031 174.700 0.008 0.000 0.993 614 T CA -1.493 60.677 62.100 0.116 0.000 0.970 614 T CB 1.495 70.387 68.868 0.040 0.000 0.950 614 T HN 0.129 nan 8.240 nan 0.000 0.441 615 P HA 0.134 nan 4.420 nan 0.000 0.267 615 P C -0.033 177.188 177.300 -0.132 0.000 1.200 615 P CA -0.430 62.422 63.100 -0.413 0.000 0.772 615 P CB 0.249 31.552 31.700 -0.662 0.000 0.855 616 S N 2.823 118.484 115.700 -0.065 0.000 2.579 616 S HA 0.272 4.742 4.470 -0.000 0.000 0.275 616 S C -2.020 172.562 174.600 -0.030 0.000 1.345 616 S CA -1.012 57.170 58.200 -0.030 0.000 1.031 616 S CB -0.866 62.319 63.200 -0.025 0.000 0.892 616 S HN 0.376 nan 8.310 nan 0.000 0.529 617 P HA 0.155 nan 4.420 nan 0.000 0.271 617 P C -0.775 176.596 177.300 0.118 0.000 1.216 617 P CA -0.437 62.690 63.100 0.044 0.000 0.771 617 P CB 0.183 31.905 31.700 0.037 0.000 0.864 618 F N 3.544 123.476 119.950 -0.030 0.000 2.490 618 F HA 0.132 4.659 4.527 0.000 0.000 0.357 618 F C 1.160 176.950 175.800 -0.016 0.000 1.166 618 F CA -0.351 57.637 58.000 -0.020 0.000 1.116 618 F CB -0.522 38.467 39.000 -0.018 0.000 1.171 618 F HN 0.233 nan 8.300 nan 0.000 0.576 619 T N 0.000 114.822 114.554 0.446 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.234 62.100 0.223 0.000 1.349 619 T CB 0.000 68.955 68.868 0.145 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658