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 1qak_1_A DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLASG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.363 175.328 0.058 0.000 0.993 6 H CA 0.000 56.062 56.048 0.024 0.000 1.023 6 H CB 0.000 29.765 29.762 0.005 0.000 1.292 7 M N 1.588 120.544 119.600 -1.073 0.000 2.226 7 M HA 0.423 4.903 4.480 -0.000 0.000 0.324 7 M C -0.359 175.878 176.300 -0.104 0.000 1.112 7 M CA -0.498 54.452 55.300 -0.582 0.000 1.176 7 M CB 0.491 32.847 32.600 -0.405 0.000 1.430 7 M HN 0.370 nan 8.290 nan 0.000 0.462 8 V N 2.507 122.540 119.914 0.199 0.000 3.087 8 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 8 V C -2.421 173.427 176.094 -0.410 0.000 1.187 8 V CA -1.881 60.458 62.300 0.065 0.000 0.999 8 V CB 3.060 34.859 31.823 -0.040 0.000 1.049 8 V HN 0.686 nan 8.190 nan 0.000 0.431 9 P HA 0.117 nan 4.420 nan 0.000 0.267 9 P C 0.526 177.423 177.300 -0.671 0.000 1.205 9 P CA 0.185 62.531 63.100 -1.257 0.000 0.765 9 P CB 0.742 31.828 31.700 -1.022 0.000 0.828 10 M N 3.062 122.267 119.600 -0.657 0.000 2.077 10 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 10 M C 1.207 177.294 176.300 -0.356 0.000 1.070 10 M CA 1.866 56.867 55.300 -0.498 0.000 1.125 10 M CB -0.496 31.732 32.600 -0.620 0.000 1.339 10 M HN 0.241 nan 8.290 nan 0.000 0.409 11 D N 0.638 120.838 120.400 -0.333 0.000 2.126 11 D HA -0.248 4.392 4.640 -0.000 0.000 0.190 11 D C 1.895 178.098 176.300 -0.162 0.000 1.001 11 D CA 1.682 55.562 54.000 -0.200 0.000 0.841 11 D CB -0.323 40.381 40.800 -0.161 0.000 0.949 11 D HN 0.428 nan 8.370 nan 0.000 0.446 12 K N 0.067 120.346 120.400 -0.203 0.000 2.026 12 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 12 K C 2.141 178.668 176.600 -0.122 0.000 1.048 12 K CA 1.538 57.733 56.287 -0.154 0.000 0.929 12 K CB -0.029 32.362 32.500 -0.181 0.000 0.713 12 K HN 0.006 nan 8.250 nan 0.000 0.439 13 T N 2.055 116.514 114.554 -0.158 0.000 2.708 13 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 13 T C 1.678 176.355 174.700 -0.039 0.000 1.037 13 T CA 0.884 62.924 62.100 -0.101 0.000 1.146 13 T CB -0.044 68.745 68.868 -0.131 0.000 0.865 13 T HN 0.076 nan 8.240 nan 0.000 0.435 14 L N 0.912 122.108 121.223 -0.046 0.000 2.046 14 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 14 L C 2.343 179.244 176.870 0.051 0.000 1.077 14 L CA 1.840 56.699 54.840 0.032 0.000 0.747 14 L CB -0.975 41.096 42.059 0.021 0.000 0.896 14 L HN 0.276 nan 8.230 nan 0.000 0.432 15 K N -0.191 120.206 120.400 -0.005 0.000 2.097 15 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 15 K C 1.979 178.574 176.600 -0.009 0.000 1.050 15 K CA 0.999 57.278 56.287 -0.013 0.000 0.938 15 K CB 0.001 32.486 32.500 -0.026 0.000 0.718 15 K HN 0.311 nan 8.250 nan 0.000 0.442 16 E N -0.245 119.957 120.200 0.003 0.000 2.153 16 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 16 E C 1.520 178.148 176.600 0.048 0.000 0.988 16 E CA 0.794 57.200 56.400 0.011 0.000 0.811 16 E CB -0.057 29.648 29.700 0.008 0.000 0.746 16 E HN 0.220 nan 8.360 nan 0.000 0.466 17 F N 0.321 120.205 119.950 -0.110 0.000 2.502 17 F HA 0.083 4.609 4.527 -0.000 0.000 0.298 17 F C 1.367 177.078 175.800 -0.148 0.000 1.111 17 F CA 1.324 59.237 58.000 -0.146 0.000 1.445 17 F CB 0.190 39.058 39.000 -0.220 0.000 1.081 17 F HN 0.052 nan 8.300 nan 0.000 0.558 18 G N 0.486 109.168 108.800 -0.197 0.000 2.132 18 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.228 18 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.228 18 G C 0.199 174.950 174.900 -0.248 0.000 1.000 18 G CA 0.062 45.015 45.100 -0.245 0.000 0.693 18 G HN 0.852 nan 8.290 nan 0.000 0.515 19 A N -0.490 122.233 122.820 -0.163 0.000 2.295 19 A HA 0.704 5.023 4.320 -0.000 0.000 0.318 19 A C -0.010 177.579 177.584 0.009 0.000 1.134 19 A CA 0.187 52.184 52.037 -0.067 0.000 0.827 19 A CB 0.931 19.950 19.000 0.031 0.000 1.136 19 A HN 0.448 nan 8.150 nan 0.000 0.493 20 D N 0.327 120.751 120.400 0.039 0.000 2.256 20 D HA 0.462 5.102 4.640 -0.000 0.000 0.250 20 D C -0.873 175.479 176.300 0.087 0.000 1.093 20 D CA 0.229 54.258 54.000 0.049 0.000 0.882 20 D CB 1.186 42.011 40.800 0.043 0.000 1.185 20 D HN 0.167 nan 8.370 nan 0.000 0.437 21 V N 4.239 124.210 119.914 0.095 0.000 2.409 21 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 21 V C -0.441 175.771 176.094 0.197 0.000 1.020 21 V CA -0.645 61.745 62.300 0.150 0.000 0.848 21 V CB 1.388 33.284 31.823 0.122 0.000 0.990 21 V HN 0.543 nan 8.190 nan 0.000 0.430 22 Q N 4.320 124.270 119.800 0.250 0.000 2.337 22 Q HA 0.423 4.763 4.340 -0.000 0.000 0.270 22 Q C -1.213 174.983 176.000 0.327 0.000 1.043 22 Q CA -0.411 55.529 55.803 0.227 0.000 0.794 22 Q CB 2.971 31.782 28.738 0.122 0.000 1.281 22 Q HN 0.852 nan 8.270 nan 0.000 0.446 23 W N 3.771 125.084 121.300 0.022 0.000 2.478 23 W HA 0.348 5.008 4.660 -0.000 0.000 0.318 23 W C -1.354 175.074 176.519 -0.152 0.000 1.062 23 W CA -0.504 56.715 57.345 -0.210 0.000 1.210 23 W CB 1.479 30.784 29.460 -0.259 0.000 1.325 23 W HN 0.646 nan 8.180 nan 0.000 0.496 24 D N 4.352 124.174 120.400 -0.962 0.000 2.440 24 D HA 0.054 4.693 4.640 -0.000 0.000 0.239 24 D C 0.303 175.828 176.300 -1.292 0.000 1.084 24 D CA -0.117 53.428 54.000 -0.758 0.000 0.843 24 D CB 1.535 42.095 40.800 -0.400 0.000 1.097 24 D HN 0.472 nan 8.370 nan 0.000 0.531 25 D N 2.379 122.232 120.400 -0.913 0.000 2.224 25 D HA -0.186 4.454 4.640 -0.000 0.000 0.205 25 D C 1.417 177.548 176.300 -0.282 0.000 0.965 25 D CA 0.819 54.479 54.000 -0.566 0.000 0.852 25 D CB 0.002 40.773 40.800 -0.047 0.000 0.947 25 D HN 0.508 nan 8.370 nan 0.000 0.494 26 Y N 0.567 120.681 120.300 -0.311 0.000 2.220 26 Y HA 0.048 4.598 4.550 -0.000 0.000 0.291 26 Y C 1.920 177.695 175.900 -0.209 0.000 1.129 26 Y CA 1.792 59.776 58.100 -0.194 0.000 1.161 26 Y CB -0.297 38.075 38.460 -0.146 0.000 0.997 26 Y HN -0.005 nan 8.280 nan 0.000 0.522 27 A N -0.694 121.948 122.820 -0.298 0.000 2.275 27 A HA 0.111 4.431 4.320 -0.000 0.000 0.212 27 A C 0.576 177.944 177.584 -0.360 0.000 1.201 27 A CA 0.326 52.162 52.037 -0.335 0.000 0.843 27 A CB -0.161 18.728 19.000 -0.185 0.000 0.873 27 A HN 0.501 nan 8.150 nan 0.000 0.492 28 Q N -0.852 118.618 119.800 -0.549 0.000 2.452 28 Q HA -0.170 4.170 4.340 -0.000 0.000 0.318 28 Q C -0.734 174.991 176.000 -0.458 0.000 1.386 28 Q CA 0.683 56.136 55.803 -0.584 0.000 0.872 28 Q CB -1.662 27.025 28.738 -0.085 0.000 1.151 28 Q HN 0.526 nan 8.270 nan 0.000 0.417 29 L N 0.315 121.082 121.223 -0.760 0.000 2.408 29 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 29 L C -0.877 175.866 176.870 -0.211 0.000 0.986 29 L CA -0.576 54.095 54.840 -0.281 0.000 0.820 29 L CB 1.471 43.425 42.059 -0.175 0.000 1.303 29 L HN 0.090 nan 8.230 nan 0.000 0.411 30 F N 1.979 122.057 119.950 0.214 0.000 2.404 30 F HA 0.498 5.025 4.527 -0.000 0.000 0.339 30 F C 0.676 176.547 175.800 0.119 0.000 1.105 30 F CA -0.126 58.032 58.000 0.263 0.000 1.087 30 F CB 1.989 41.156 39.000 0.278 0.000 1.143 30 F HN 0.343 nan 8.300 nan 0.000 0.491 31 T N 5.292 120.007 114.554 0.269 0.000 2.791 31 T HA 0.526 4.876 4.350 -0.000 0.000 0.288 31 T C -0.980 173.766 174.700 0.076 0.000 0.999 31 T CA -0.471 61.674 62.100 0.075 0.000 0.952 31 T CB 0.651 69.506 68.868 -0.022 0.000 0.938 31 T HN 0.074 nan 8.240 nan 0.000 0.444 32 L N 4.592 125.840 121.223 0.043 0.000 2.313 32 L HA 0.649 4.989 4.340 -0.000 0.000 0.283 32 L C -0.380 176.539 176.870 0.081 0.000 1.013 32 L CA -0.591 54.337 54.840 0.147 0.000 0.816 32 L CB 1.190 43.423 42.059 0.291 0.000 1.236 32 L HN 0.636 nan 8.230 nan 0.000 0.419 33 I N 3.305 123.941 120.570 0.109 0.000 2.647 33 I HA 0.522 4.692 4.170 -0.000 0.000 0.295 33 I C -0.431 175.798 176.117 0.187 0.000 1.078 33 I CA -0.753 60.612 61.300 0.108 0.000 1.048 33 I CB 2.386 40.382 38.000 -0.007 0.000 1.239 33 I HN 0.454 nan 8.210 nan 0.000 0.421 34 K N 5.366 125.916 120.400 0.249 0.000 2.635 34 K HA 0.206 4.526 4.320 -0.000 0.000 0.266 34 K C -1.047 175.660 176.600 0.180 0.000 1.033 34 K CA -0.380 55.985 56.287 0.130 0.000 0.919 34 K CB 0.923 33.399 32.500 -0.040 0.000 1.289 34 K HN 0.766 nan 8.250 nan 0.000 0.463 35 D N 1.787 122.270 120.400 0.137 0.000 3.927 35 D HA -0.259 4.381 4.640 -0.000 0.000 0.142 35 D C 0.912 177.349 176.300 0.228 0.000 0.830 35 D CA 2.214 56.331 54.000 0.194 0.000 1.091 35 D CB -0.902 40.034 40.800 0.227 0.000 0.495 35 D HN 0.761 nan 8.370 nan 0.000 0.489 36 G N 0.405 109.357 108.800 0.254 0.000 2.985 36 G HA2 0.390 4.350 3.960 -0.000 0.000 0.209 36 G HA3 0.390 4.350 3.960 -0.000 0.000 0.209 36 G C 0.302 175.321 174.900 0.198 0.000 1.165 36 G CA 0.930 46.140 45.100 0.184 0.000 0.776 36 G HN 0.627 nan 8.290 nan 0.000 0.541 37 A N 0.210 123.188 122.820 0.263 0.000 2.276 37 A HA 0.620 4.940 4.320 -0.000 0.000 0.300 37 A C -1.542 176.196 177.584 0.257 0.000 1.235 37 A CA -0.606 51.578 52.037 0.245 0.000 0.867 37 A CB 0.486 19.702 19.000 0.359 0.000 1.137 37 A HN 0.268 nan 8.150 nan 0.000 0.527 38 Y N 3.273 123.615 120.300 0.070 0.000 2.447 38 Y HA 0.504 5.054 4.550 -0.000 0.000 0.325 38 Y C -0.800 175.110 175.900 0.016 0.000 0.976 38 Y CA -0.477 57.664 58.100 0.069 0.000 1.280 38 Y CB 1.326 39.819 38.460 0.056 0.000 1.104 38 Y HN 0.443 nan 8.280 nan 0.000 0.486 39 V N 6.167 126.034 119.914 -0.078 0.000 2.581 39 V HA 0.504 4.624 4.120 -0.000 0.000 0.303 39 V C -0.723 175.370 176.094 -0.001 0.000 1.041 39 V CA -1.055 61.207 62.300 -0.063 0.000 0.907 39 V CB 1.920 33.617 31.823 -0.211 0.000 0.994 39 V HN 0.566 nan 8.190 nan 0.000 0.442 40 K N 2.865 123.304 120.400 0.066 0.000 2.426 40 K HA 0.799 5.119 4.320 -0.000 0.000 0.254 40 K C -1.625 175.056 176.600 0.135 0.000 0.936 40 K CA -0.627 55.728 56.287 0.113 0.000 0.801 40 K CB 2.574 35.149 32.500 0.125 0.000 1.139 40 K HN 0.419 nan 8.250 nan 0.000 0.424 41 V N 3.066 123.105 119.914 0.210 0.000 2.851 41 V HA 0.375 4.495 4.120 -0.000 0.000 0.307 41 V C -1.705 174.570 176.094 0.301 0.000 1.129 41 V CA -0.782 61.659 62.300 0.236 0.000 0.932 41 V CB 2.042 34.030 31.823 0.275 0.000 1.024 41 V HN 0.662 nan 8.190 nan 0.000 0.426 42 K N 6.569 127.108 120.400 0.230 0.000 2.159 42 K HA 0.582 4.902 4.320 -0.000 0.000 0.266 42 K C -2.720 174.034 176.600 0.256 0.000 0.975 42 K CA -1.789 54.640 56.287 0.237 0.000 0.865 42 K CB 1.713 34.293 32.500 0.133 0.000 1.087 42 K HN 0.429 nan 8.250 nan 0.000 0.446 43 P HA -0.057 nan 4.420 nan 0.000 0.265 43 P C 0.617 178.011 177.300 0.156 0.000 1.193 43 P CA 0.860 64.106 63.100 0.244 0.000 0.765 43 P CB 0.603 32.452 31.700 0.248 0.000 0.823 44 G N 1.808 110.678 108.800 0.117 0.000 2.220 44 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.269 44 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.269 44 G C 0.509 175.457 174.900 0.079 0.000 0.977 44 G CA 0.145 45.295 45.100 0.085 0.000 0.634 44 G HN 0.867 nan 8.290 nan 0.000 0.539 45 A N -0.267 122.609 122.820 0.094 0.000 2.407 45 A HA 0.641 4.961 4.320 -0.000 0.000 0.248 45 A C 1.103 178.731 177.584 0.073 0.000 1.082 45 A CA 0.931 53.015 52.037 0.079 0.000 0.785 45 A CB 0.331 19.383 19.000 0.086 0.000 1.020 45 A HN 0.479 nan 8.150 nan 0.000 0.489 46 Q N -0.178 119.656 119.800 0.056 0.000 2.451 46 Q HA 0.054 4.394 4.340 -0.000 0.000 0.206 46 Q C 0.444 176.474 176.000 0.049 0.000 0.947 46 Q CA 1.050 56.883 55.803 0.050 0.000 0.937 46 Q CB 0.110 28.869 28.738 0.036 0.000 1.025 46 Q HN 0.933 nan 8.270 nan 0.000 0.511 47 T N -3.837 110.749 114.554 0.053 0.000 2.865 47 T HA 0.832 5.182 4.350 -0.000 0.000 0.294 47 T C -0.869 173.866 174.700 0.058 0.000 1.119 47 T CA -0.678 61.449 62.100 0.044 0.000 1.007 47 T CB 2.200 71.085 68.868 0.029 0.000 1.225 47 T HN 0.018 nan 8.240 nan 0.000 0.515 48 A N 0.771 123.616 122.820 0.041 0.000 2.524 48 A HA 0.869 5.189 4.320 -0.000 0.000 0.286 48 A C -1.402 176.195 177.584 0.020 0.000 1.203 48 A CA -0.980 51.085 52.037 0.047 0.000 0.736 48 A CB 1.322 20.346 19.000 0.039 0.000 1.322 48 A HN 0.813 nan 8.150 nan 0.000 0.424 49 I N 0.808 121.392 120.570 0.023 0.000 2.545 49 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 49 I C -1.071 175.045 176.117 -0.002 0.000 1.040 49 I CA -0.516 60.796 61.300 0.019 0.000 1.068 49 I CB 1.601 39.632 38.000 0.050 0.000 1.251 49 I HN 0.283 nan 8.210 nan 0.000 0.424 50 V N 5.697 125.599 119.914 -0.019 0.000 2.443 50 V HA 0.362 4.482 4.120 -0.000 0.000 0.293 50 V C 0.397 176.498 176.094 0.011 0.000 1.021 50 V CA -0.794 61.481 62.300 -0.041 0.000 0.848 50 V CB 1.120 32.876 31.823 -0.112 0.000 0.998 50 V HN 0.900 nan 8.190 nan 0.000 0.424 51 N N 4.034 122.774 118.700 0.066 0.000 2.725 51 N HA -0.251 4.489 4.740 -0.000 0.000 0.251 51 N C 1.172 176.696 175.510 0.022 0.000 1.031 51 N CA 0.487 53.572 53.050 0.058 0.000 0.720 51 N CB -0.634 37.874 38.487 0.036 0.000 0.930 51 N HN 1.385 nan 8.380 nan 0.000 0.543 52 G N -1.236 107.583 108.800 0.032 0.000 2.205 52 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 52 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 52 G C -0.127 174.777 174.900 0.008 0.000 0.980 52 G CA 0.540 45.648 45.100 0.013 0.000 0.632 52 G HN 0.430 nan 8.290 nan 0.000 0.533 53 Q N 0.729 120.531 119.800 0.005 0.000 2.309 53 Q HA 0.474 4.814 4.340 -0.000 0.000 0.264 53 Q C -2.541 173.456 176.000 -0.004 0.000 1.008 53 Q CA -2.012 53.790 55.803 -0.002 0.000 0.853 53 Q CB 2.506 31.240 28.738 -0.007 0.000 1.314 53 Q HN 0.303 nan 8.270 nan 0.000 0.448 54 P HA 0.173 nan 4.420 nan 0.000 0.271 54 P C -0.838 176.455 177.300 -0.011 0.000 1.216 54 P CA -0.413 62.686 63.100 -0.002 0.000 0.771 54 P CB 0.728 32.430 31.700 0.002 0.000 0.864 55 L N 2.925 124.139 121.223 -0.014 0.000 2.438 55 L HA 0.673 5.013 4.340 -0.000 0.000 0.270 55 L C -0.728 176.134 176.870 -0.013 0.000 0.972 55 L CA -0.976 53.848 54.840 -0.026 0.000 0.831 55 L CB 1.725 43.749 42.059 -0.058 0.000 1.273 55 L HN 0.446 nan 8.230 nan 0.000 0.405 56 A N 5.720 128.534 122.820 -0.010 0.000 2.440 56 A HA 0.613 4.933 4.320 -0.000 0.000 0.251 56 A C -0.685 176.901 177.584 0.003 0.000 1.089 56 A CA -0.181 51.858 52.037 0.003 0.000 0.779 56 A CB -0.047 18.955 19.000 0.004 0.000 1.022 56 A HN 0.749 nan 8.150 nan 0.000 0.492 57 L N 2.397 123.635 121.223 0.024 0.000 2.317 57 L HA 0.283 4.623 4.340 -0.000 0.000 0.281 57 L C 1.193 178.088 176.870 0.042 0.000 1.024 57 L CA -0.478 54.386 54.840 0.039 0.000 0.810 57 L CB 1.627 43.737 42.059 0.085 0.000 1.240 57 L HN 0.948 nan 8.230 nan 0.000 0.427 58 Q N 1.381 121.206 119.800 0.041 0.000 2.079 58 Q HA -0.001 4.339 4.340 -0.000 0.000 0.200 58 Q C -0.230 175.800 176.000 0.050 0.000 0.974 58 Q CA 1.012 56.837 55.803 0.038 0.000 0.840 58 Q CB 0.230 28.988 28.738 0.034 0.000 0.898 58 Q HN 0.444 nan 8.270 nan 0.000 0.430 59 V N 2.465 122.421 119.914 0.071 0.000 2.376 59 V HA 0.282 4.402 4.120 -0.000 0.000 0.287 59 V C -2.346 173.802 176.094 0.089 0.000 1.015 59 V CA -1.901 60.441 62.300 0.071 0.000 0.834 59 V CB 1.331 33.195 31.823 0.068 0.000 1.001 59 V HN 0.061 nan 8.190 nan 0.000 0.428 60 P HA 0.139 nan 4.420 nan 0.000 0.269 60 P C -0.170 177.166 177.300 0.061 0.000 1.215 60 P CA -0.110 63.039 63.100 0.082 0.000 0.780 60 P CB 0.525 32.267 31.700 0.068 0.000 0.898 61 V N 2.814 122.762 119.914 0.056 0.000 2.740 61 V HA 0.122 4.242 4.120 -0.000 0.000 0.303 61 V C 0.527 176.643 176.094 0.037 0.000 1.054 61 V CA 0.230 62.519 62.300 -0.018 0.000 1.106 61 V CB 0.726 32.526 31.823 -0.038 0.000 0.957 61 V HN 0.374 nan 8.190 nan 0.000 0.486 62 V N 4.207 124.146 119.914 0.041 0.000 2.604 62 V HA 0.605 4.725 4.120 -0.000 0.000 0.305 62 V C -0.331 175.831 176.094 0.113 0.000 1.043 62 V CA -1.053 61.289 62.300 0.069 0.000 0.888 62 V CB 1.992 33.839 31.823 0.040 0.000 0.995 62 V HN 0.660 nan 8.190 nan 0.000 0.429 63 M N 4.289 123.943 119.600 0.090 0.000 2.151 63 M HA 0.499 4.979 4.480 -0.000 0.000 0.349 63 M C -0.358 175.992 176.300 0.085 0.000 1.284 63 M CA -0.223 55.129 55.300 0.087 0.000 1.173 63 M CB 0.315 32.940 32.600 0.042 0.000 1.469 63 M HN 0.881 nan 8.290 nan 0.000 0.439 64 K N 2.597 123.099 120.400 0.170 0.000 2.339 64 K HA 0.282 4.601 4.320 -0.000 0.000 0.264 64 K C -0.123 176.562 176.600 0.142 0.000 0.986 64 K CA 0.120 56.451 56.287 0.073 0.000 0.866 64 K CB 0.612 33.002 32.500 -0.183 0.000 1.103 64 K HN 0.534 nan 8.250 nan 0.000 0.441 65 D N 3.860 124.298 120.400 0.063 0.000 2.837 65 D HA -0.243 4.397 4.640 -0.000 0.000 0.230 65 D C -0.802 175.530 176.300 0.053 0.000 1.152 65 D CA 1.636 55.672 54.000 0.060 0.000 0.736 65 D CB -1.294 39.551 40.800 0.076 0.000 1.084 65 D HN 0.901 nan 8.370 nan 0.000 0.429 66 N N -2.067 116.651 118.700 0.030 0.000 2.948 66 N HA -0.213 4.527 4.740 -0.000 0.000 0.239 66 N C -0.696 174.786 175.510 -0.046 0.000 0.954 66 N CA 1.579 54.615 53.050 -0.023 0.000 0.941 66 N CB -0.669 37.803 38.487 -0.025 0.000 1.101 66 N HN 0.554 nan 8.380 nan 0.000 0.579 67 K N 0.099 120.518 120.400 0.031 0.000 2.203 67 K HA 0.800 5.120 4.320 -0.000 0.000 0.251 67 K C -0.303 176.301 176.600 0.005 0.000 0.944 67 K CA -0.476 55.798 56.287 -0.023 0.000 0.829 67 K CB 1.855 34.360 32.500 0.008 0.000 1.125 67 K HN 0.142 nan 8.250 nan 0.000 0.430 68 A N 2.073 124.796 122.820 -0.163 0.000 2.304 68 A HA 0.570 4.890 4.320 -0.000 0.000 0.301 68 A C -1.530 175.835 177.584 -0.366 0.000 1.132 68 A CA -0.440 51.505 52.037 -0.153 0.000 0.819 68 A CB 0.228 19.040 19.000 -0.314 0.000 1.094 68 A HN 0.674 nan 8.150 nan 0.000 0.492 69 W N 0.564 121.725 121.300 -0.232 0.000 2.844 69 W HA 0.559 5.219 4.660 -0.000 0.000 0.340 69 W C -0.373 175.961 176.519 -0.308 0.000 1.093 69 W CA -0.371 56.827 57.345 -0.244 0.000 1.212 69 W CB 2.214 31.564 29.460 -0.184 0.000 1.422 69 W HN 0.732 nan 8.180 nan 0.000 0.515 70 V N -0.298 119.524 119.914 -0.153 0.000 3.130 70 V HA 0.761 4.881 4.120 -0.000 0.000 0.310 70 V C 0.173 176.213 176.094 -0.089 0.000 1.158 70 V CA -1.288 60.853 62.300 -0.265 0.000 1.029 70 V CB 0.918 32.287 31.823 -0.757 0.000 1.057 70 V HN 0.596 nan 8.190 nan 0.000 0.436 71 S N 0.596 116.297 115.700 0.002 0.000 2.596 71 S HA 0.072 4.542 4.470 -0.000 0.000 0.260 71 S C 0.757 175.387 174.600 0.050 0.000 1.336 71 S CA 0.475 58.696 58.200 0.035 0.000 0.993 71 S CB 0.479 63.729 63.200 0.084 0.000 0.923 71 S HN 1.051 nan 8.310 nan 0.000 0.567 72 D N -0.370 120.050 120.400 0.033 0.000 2.371 72 D HA -0.075 4.565 4.640 -0.000 0.000 0.221 72 D C 1.325 177.649 176.300 0.041 0.000 0.986 72 D CA 0.948 54.967 54.000 0.031 0.000 0.899 72 D CB -0.506 40.311 40.800 0.029 0.000 0.902 72 D HN 0.590 nan 8.370 nan 0.000 0.530 73 T N -1.197 113.393 114.554 0.061 0.000 3.040 73 T HA 0.035 4.385 4.350 -0.000 0.000 0.250 73 T C 1.157 175.890 174.700 0.056 0.000 1.058 73 T CA -0.491 61.634 62.100 0.041 0.000 0.988 73 T CB -0.549 68.337 68.868 0.030 0.000 0.993 73 T HN -0.011 nan 8.240 nan 0.000 0.519 74 F N 2.454 122.378 119.950 -0.044 0.000 2.037 74 F HA -0.217 4.310 4.527 -0.000 0.000 0.296 74 F C 1.838 177.621 175.800 -0.028 0.000 1.132 74 F CA 1.912 59.889 58.000 -0.038 0.000 1.211 74 F CB -0.727 38.244 39.000 -0.048 0.000 0.951 74 F HN 0.170 nan 8.300 nan 0.000 0.503 75 I N 0.182 120.780 120.570 0.047 0.000 2.113 75 I HA -0.450 3.719 4.170 -0.000 0.000 0.242 75 I C 2.560 178.581 176.117 -0.159 0.000 1.064 75 I CA 2.074 63.294 61.300 -0.134 0.000 1.320 75 I CB -0.755 36.972 38.000 -0.455 0.000 1.028 75 I HN 0.416 nan 8.210 nan 0.000 0.406 76 N N 0.716 119.335 118.700 -0.135 0.000 2.084 76 N HA -0.217 4.523 4.740 -0.000 0.000 0.190 76 N C 1.451 176.904 175.510 -0.095 0.000 1.030 76 N CA 1.855 54.852 53.050 -0.089 0.000 0.849 76 N CB -0.104 38.349 38.487 -0.056 0.000 1.012 76 N HN 0.300 nan 8.380 nan 0.000 0.423 77 D N 0.330 120.652 120.400 -0.130 0.000 2.123 77 D HA -0.104 4.536 4.640 -0.000 0.000 0.196 77 D C 2.049 178.213 176.300 -0.226 0.000 0.992 77 D CA 0.869 54.779 54.000 -0.149 0.000 0.833 77 D CB -0.038 40.672 40.800 -0.149 0.000 0.954 77 D HN 0.183 nan 8.370 nan 0.000 0.455 78 V N 0.078 119.759 119.914 -0.389 0.000 2.326 78 V HA -0.098 4.022 4.120 -0.000 0.000 0.238 78 V C 2.118 177.964 176.094 -0.413 0.000 1.038 78 V CA 0.920 62.915 62.300 -0.509 0.000 1.032 78 V CB -0.646 30.605 31.823 -0.953 0.000 0.675 78 V HN 0.008 nan 8.190 nan 0.000 0.467 79 F N -0.033 119.779 119.950 -0.229 0.000 2.293 79 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 79 F C 2.083 177.868 175.800 -0.025 0.000 1.086 79 F CA 0.997 58.954 58.000 -0.071 0.000 1.375 79 F CB -0.131 38.852 39.000 -0.030 0.000 1.045 79 F HN 0.185 nan 8.300 nan 0.000 0.516 80 Q N -0.657 119.189 119.800 0.077 0.000 2.189 80 Q HA 0.092 4.432 4.340 -0.000 0.000 0.221 80 Q C 1.849 177.854 176.000 0.008 0.000 0.848 80 Q CA 0.179 56.016 55.803 0.057 0.000 1.007 80 Q CB -0.045 28.715 28.738 0.037 0.000 1.116 80 Q HN 0.266 nan 8.270 nan 0.000 0.481 81 S N -1.580 114.102 115.700 -0.030 0.000 2.419 81 S HA 0.001 4.471 4.470 -0.000 0.000 0.233 81 S C 1.678 176.269 174.600 -0.014 0.000 1.016 81 S CA 0.928 59.102 58.200 -0.043 0.000 0.974 81 S CB -0.084 63.067 63.200 -0.082 0.000 0.786 81 S HN 0.494 nan 8.310 nan 0.000 0.492 82 G N 0.807 109.611 108.800 0.007 0.000 2.218 82 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.216 82 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.216 82 G C 0.619 175.529 174.900 0.016 0.000 0.994 82 G CA 0.133 45.246 45.100 0.021 0.000 0.637 82 G HN 0.489 nan 8.290 nan 0.000 0.505 83 L N 0.880 122.101 121.223 -0.003 0.000 2.478 83 L HA 0.234 4.574 4.340 -0.000 0.000 0.223 83 L C 0.967 177.844 176.870 0.012 0.000 1.140 83 L CA 0.802 55.638 54.840 -0.006 0.000 0.842 83 L CB -0.006 42.036 42.059 -0.028 0.000 0.953 83 L HN 0.234 nan 8.230 nan 0.000 0.452 84 D N 0.481 120.902 120.400 0.035 0.000 2.428 84 D HA 0.071 4.710 4.640 -0.000 0.000 0.221 84 D C 0.574 176.924 176.300 0.083 0.000 1.123 84 D CA -0.086 53.956 54.000 0.070 0.000 0.869 84 D CB 1.073 41.948 40.800 0.125 0.000 1.032 84 D HN 0.097 nan 8.370 nan 0.000 0.506 85 Q N 1.819 121.647 119.800 0.047 0.000 2.365 85 Q HA 0.029 4.369 4.340 -0.000 0.000 0.203 85 Q C 1.330 177.340 176.000 0.015 0.000 0.929 85 Q CA 0.155 55.981 55.803 0.039 0.000 0.948 85 Q CB 0.444 29.189 28.738 0.012 0.000 1.043 85 Q HN 0.498 nan 8.270 nan 0.000 0.505 86 T N 0.390 114.946 114.554 0.003 0.000 2.699 86 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 86 T C 0.173 174.720 174.700 -0.255 0.000 1.036 86 T CA 1.252 63.271 62.100 -0.137 0.000 1.147 86 T CB -0.052 68.752 68.868 -0.106 0.000 0.862 86 T HN 0.111 nan 8.240 nan 0.000 0.446 87 F N 1.275 121.262 119.950 0.062 0.000 2.443 87 F HA 0.497 5.024 4.527 -0.000 0.000 0.335 87 F C 0.392 176.218 175.800 0.044 0.000 1.104 87 F CA -1.081 56.953 58.000 0.058 0.000 1.013 87 F CB 1.255 40.290 39.000 0.059 0.000 1.136 87 F HN -0.174 nan 8.300 nan 0.000 0.470 88 Q N 2.129 122.040 119.800 0.185 0.000 2.413 88 Q HA 0.479 4.819 4.340 -0.000 0.000 0.276 88 Q C -0.680 175.389 176.000 0.115 0.000 1.099 88 Q CA -1.065 54.808 55.803 0.116 0.000 0.814 88 Q CB 2.750 31.527 28.738 0.065 0.000 1.379 88 Q HN 0.596 nan 8.270 nan 0.000 0.436 89 V N -1.150 118.816 119.914 0.085 0.000 2.715 89 V HA 0.263 4.383 4.120 -0.000 0.000 0.299 89 V C 0.053 176.192 176.094 0.074 0.000 1.054 89 V CA -0.267 62.078 62.300 0.076 0.000 1.077 89 V CB 0.972 32.829 31.823 0.057 0.000 0.972 89 V HN 0.837 nan 8.190 nan 0.000 0.484 90 E N 3.721 123.968 120.200 0.079 0.000 2.055 90 E HA 0.328 4.678 4.350 -0.000 0.000 0.274 90 E C 0.424 177.074 176.600 0.084 0.000 0.949 90 E CA -0.589 55.866 56.400 0.092 0.000 0.775 90 E CB 1.123 30.886 29.700 0.106 0.000 1.097 90 E HN 0.809 nan 8.360 nan 0.000 0.404 91 K N 3.076 123.523 120.400 0.078 0.000 2.305 91 K HA 0.077 4.396 4.320 -0.000 0.000 0.199 91 K C 0.280 176.932 176.600 0.087 0.000 1.047 91 K CA 0.568 56.895 56.287 0.068 0.000 0.976 91 K CB 0.362 32.893 32.500 0.051 0.000 0.765 91 K HN 0.331 nan 8.250 nan 0.000 0.474 92 R N 1.712 122.289 120.500 0.128 0.000 2.412 92 R HA 0.234 4.574 4.340 -0.000 0.000 0.304 92 R C -2.726 173.715 176.300 0.235 0.000 1.066 92 R CA -1.894 54.315 56.100 0.181 0.000 0.923 92 R CB 1.481 31.910 30.300 0.214 0.000 1.156 92 R HN -0.079 nan 8.270 nan 0.000 0.513 93 P HA -0.087 nan 4.420 nan 0.000 0.267 93 P C -0.484 176.790 177.300 -0.043 0.000 1.205 93 P CA 0.164 63.315 63.100 0.085 0.000 0.765 93 P CB 0.404 32.123 31.700 0.031 0.000 0.828 94 H N 6.384 125.375 119.070 -0.132 0.000 2.790 94 H HA 0.036 4.592 4.556 -0.000 0.000 0.358 94 H C -1.288 173.705 175.328 -0.559 0.000 1.103 94 H CA -1.287 54.449 56.048 -0.521 0.000 1.426 94 H CB 0.763 30.437 29.762 -0.147 0.000 1.424 94 H HN 0.261 nan 8.280 nan 0.000 0.599 95 P HA -0.071 nan 4.420 nan 0.000 0.230 95 P C 1.195 178.379 177.300 -0.193 0.000 1.158 95 P CA 0.866 63.721 63.100 -0.409 0.000 0.769 95 P CB 0.335 31.760 31.700 -0.460 0.000 0.807 96 L N -1.295 119.861 121.223 -0.112 0.000 2.640 96 L HA 0.159 4.499 4.340 -0.000 0.000 0.230 96 L C 0.759 177.580 176.870 -0.081 0.000 1.123 96 L CA -0.267 54.445 54.840 -0.213 0.000 0.900 96 L CB -0.690 41.101 42.059 -0.447 0.000 1.146 96 L HN -0.064 nan 8.230 nan 0.000 0.484 97 N N 1.116 119.832 118.700 0.026 0.000 2.353 97 N HA 0.111 4.851 4.740 -0.000 0.000 0.248 97 N C 0.398 175.937 175.510 0.048 0.000 1.240 97 N CA -0.137 53.001 53.050 0.148 0.000 0.862 97 N CB 0.843 39.386 38.487 0.094 0.000 1.086 97 N HN 0.178 nan 8.380 nan 0.000 0.453 98 A N 2.675 125.514 122.820 0.032 0.000 2.346 98 A HA 0.244 4.564 4.320 -0.000 0.000 0.252 98 A C 0.366 177.945 177.584 -0.008 0.000 1.089 98 A CA -0.491 51.544 52.037 -0.003 0.000 0.797 98 A CB 0.208 19.194 19.000 -0.023 0.000 1.047 98 A HN 0.629 nan 8.150 nan 0.000 0.494 99 L N 1.411 122.627 121.223 -0.013 0.000 2.540 99 L HA 0.125 4.465 4.340 -0.000 0.000 0.276 99 L C 1.428 178.288 176.870 -0.017 0.000 1.212 99 L CA -0.018 54.813 54.840 -0.015 0.000 0.893 99 L CB -0.237 41.812 42.059 -0.017 0.000 1.138 99 L HN 0.952 nan 8.230 nan 0.000 0.491 100 T N -0.151 114.394 114.554 -0.016 0.000 2.788 100 T HA 0.366 4.716 4.350 -0.000 0.000 0.280 100 T C 1.242 175.928 174.700 -0.023 0.000 0.984 100 T CA -0.232 61.858 62.100 -0.016 0.000 0.972 100 T CB 1.367 70.228 68.868 -0.012 0.000 1.039 100 T HN 0.619 nan 8.240 nan 0.000 0.530 101 A N 0.576 123.382 122.820 -0.024 0.000 1.908 101 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 101 A C 2.029 179.592 177.584 -0.035 0.000 1.181 101 A CA 1.776 53.795 52.037 -0.030 0.000 0.627 101 A CB -1.095 17.890 19.000 -0.026 0.000 0.818 101 A HN 0.889 nan 8.150 nan 0.000 0.445 102 D N -0.304 120.080 120.400 -0.028 0.000 2.144 102 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 102 D C 1.929 178.210 176.300 -0.031 0.000 0.978 102 D CA 1.381 55.364 54.000 -0.028 0.000 0.833 102 D CB -0.376 40.413 40.800 -0.019 0.000 0.961 102 D HN 0.659 nan 8.370 nan 0.000 0.470 103 E N 0.040 120.223 120.200 -0.028 0.000 2.150 103 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 103 E C 2.250 178.826 176.600 -0.041 0.000 0.985 103 E CA 0.335 56.718 56.400 -0.027 0.000 0.814 103 E CB 0.059 29.747 29.700 -0.020 0.000 0.752 103 E HN 0.298 nan 8.360 nan 0.000 0.466 104 I N 1.179 121.718 120.570 -0.052 0.000 2.252 104 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 104 I C 2.259 178.310 176.117 -0.109 0.000 1.102 104 I CA 1.137 62.388 61.300 -0.082 0.000 1.385 104 I CB -0.058 37.893 38.000 -0.082 0.000 1.064 104 I HN -0.014 nan 8.210 nan 0.000 0.414 105 K N 0.141 120.488 120.400 -0.089 0.000 2.097 105 K HA -0.255 4.065 4.320 -0.000 0.000 0.206 105 K C 2.143 178.694 176.600 -0.081 0.000 1.049 105 K CA 1.325 57.555 56.287 -0.094 0.000 0.933 105 K CB -0.192 32.266 32.500 -0.069 0.000 0.717 105 K HN 0.383 nan 8.250 nan 0.000 0.442 106 Q N 0.542 120.308 119.800 -0.058 0.000 2.079 106 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 106 Q C 2.041 178.020 176.000 -0.035 0.000 0.974 106 Q CA 1.420 57.200 55.803 -0.039 0.000 0.840 106 Q CB -0.061 28.662 28.738 -0.025 0.000 0.898 106 Q HN 0.309 nan 8.270 nan 0.000 0.430 107 A N 0.096 122.892 122.820 -0.039 0.000 1.902 107 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 107 A C 2.209 179.780 177.584 -0.022 0.000 1.181 107 A CA 1.482 53.510 52.037 -0.015 0.000 0.623 107 A CB -0.705 18.283 19.000 -0.020 0.000 0.818 107 A HN 0.301 nan 8.150 nan 0.000 0.443 108 V N 0.125 119.971 119.914 -0.114 0.000 2.343 108 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 108 V C 2.396 178.439 176.094 -0.084 0.000 1.051 108 V CA 2.309 64.511 62.300 -0.163 0.000 1.036 108 V CB -0.840 30.787 31.823 -0.328 0.000 0.654 108 V HN 0.647 nan 8.190 nan 0.000 0.451 109 E N -0.144 120.008 120.200 -0.080 0.000 2.110 109 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 109 E C 2.154 178.733 176.600 -0.034 0.000 0.988 109 E CA 1.428 57.786 56.400 -0.070 0.000 0.804 109 E CB -0.193 29.476 29.700 -0.052 0.000 0.745 109 E HN 0.571 nan 8.360 nan 0.000 0.458 110 I N 0.895 121.469 120.570 0.007 0.000 2.252 110 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 110 I C 2.586 178.770 176.117 0.112 0.000 1.102 110 I CA 0.906 62.236 61.300 0.050 0.000 1.385 110 I CB -0.358 37.680 38.000 0.063 0.000 1.064 110 I HN 0.086 nan 8.210 nan 0.000 0.414 111 V N -1.480 118.541 119.914 0.178 0.000 2.548 111 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 111 V C 2.157 178.394 176.094 0.239 0.000 1.055 111 V CA 1.377 63.913 62.300 0.392 0.000 1.065 111 V CB -0.897 31.275 31.823 0.581 0.000 0.681 111 V HN 0.323 nan 8.190 nan 0.000 0.462 112 K N 1.116 121.421 120.400 -0.158 0.000 2.362 112 K HA 0.182 4.502 4.320 -0.000 0.000 0.200 112 K C 2.089 178.577 176.600 -0.186 0.000 1.046 112 K CA 1.137 57.084 56.287 -0.567 0.000 0.952 112 K CB -0.275 31.864 32.500 -0.602 0.000 0.753 112 K HN 0.612 nan 8.250 nan 0.000 0.466 113 A N 0.956 123.742 122.820 -0.057 0.000 2.208 113 A HA 0.013 4.333 4.320 -0.000 0.000 0.209 113 A C 0.988 178.564 177.584 -0.014 0.000 1.161 113 A CA 0.080 52.100 52.037 -0.029 0.000 0.782 113 A CB 0.083 19.073 19.000 -0.016 0.000 0.816 113 A HN 0.142 nan 8.150 nan 0.000 0.477 114 S N -0.518 115.186 115.700 0.006 0.000 2.565 114 S HA 0.450 4.920 4.470 -0.000 0.000 0.276 114 S C 1.278 175.809 174.600 -0.115 0.000 1.326 114 S CA 0.003 58.149 58.200 -0.091 0.000 1.045 114 S CB 1.144 64.205 63.200 -0.232 0.000 0.918 114 S HN 0.709 nan 8.310 nan 0.000 0.505 115 A N 3.495 126.220 122.820 -0.160 0.000 2.121 115 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 115 A C 1.470 178.945 177.584 -0.182 0.000 1.154 115 A CA 1.221 53.184 52.037 -0.124 0.000 0.679 115 A CB -0.358 18.570 19.000 -0.120 0.000 0.795 115 A HN 0.875 nan 8.150 nan 0.000 0.458 116 D N -1.492 118.658 120.400 -0.417 0.000 2.347 116 D HA 0.049 4.689 4.640 -0.000 0.000 0.213 116 D C 0.049 176.241 176.300 -0.180 0.000 0.985 116 D CA 0.031 53.742 54.000 -0.481 0.000 0.879 116 D CB -0.133 40.011 40.800 -1.092 0.000 0.919 116 D HN 0.435 nan 8.370 nan 0.000 0.526 117 F N 2.582 122.436 119.950 -0.160 0.000 2.541 117 F HA 0.037 4.564 4.527 -0.000 0.000 0.378 117 F C 0.647 176.507 175.800 0.099 0.000 1.068 117 F CA -0.120 57.981 58.000 0.167 0.000 1.199 117 F CB 0.431 39.547 39.000 0.193 0.000 1.091 117 F HN -0.455 nan 8.300 nan 0.000 0.555 118 K N 7.835 128.056 120.400 -0.298 0.000 2.156 118 K HA 0.366 4.686 4.320 -0.000 0.000 0.271 118 K C -2.441 174.095 176.600 -0.105 0.000 0.995 118 K CA -2.103 54.102 56.287 -0.137 0.000 0.890 118 K CB 0.988 33.403 32.500 -0.142 0.000 1.073 118 K HN 0.333 nan 8.250 nan 0.000 0.454 119 P HA -0.031 nan 4.420 nan 0.000 0.266 119 P C -0.383 176.955 177.300 0.063 0.000 1.186 119 P CA 0.565 63.744 63.100 0.133 0.000 0.767 119 P CB 0.174 31.928 31.700 0.091 0.000 0.820 120 N N -2.595 116.171 118.700 0.110 0.000 2.936 120 N HA -0.159 4.581 4.740 -0.000 0.000 0.236 120 N C -0.396 175.114 175.510 0.001 0.000 0.930 120 N CA 0.777 53.867 53.050 0.068 0.000 0.966 120 N CB -1.982 36.534 38.487 0.049 0.000 1.090 120 N HN 0.402 nan 8.380 nan 0.000 0.592 121 T N 1.084 115.570 114.554 -0.113 0.000 2.932 121 T HA 0.189 4.539 4.350 -0.000 0.000 0.312 121 T C 0.732 175.301 174.700 -0.219 0.000 1.071 121 T CA 0.271 62.184 62.100 -0.311 0.000 1.128 121 T CB 0.744 69.121 68.868 -0.819 0.000 0.984 121 T HN 0.128 nan 8.240 nan 0.000 0.549 122 R N 0.721 121.071 120.500 -0.251 0.000 2.856 122 R HA 0.575 4.915 4.340 -0.000 0.000 0.258 122 R C -1.125 174.971 176.300 -0.339 0.000 1.066 122 R CA -0.725 55.324 56.100 -0.085 0.000 1.045 122 R CB 1.154 31.565 30.300 0.185 0.000 1.178 122 R HN 0.453 nan 8.270 nan 0.000 0.499 123 F N 0.175 120.211 119.950 0.143 0.000 2.382 123 F HA 0.183 4.710 4.527 -0.000 0.000 0.361 123 F C 1.450 177.322 175.800 0.121 0.000 1.109 123 F CA -0.648 57.417 58.000 0.108 0.000 1.031 123 F CB 1.879 40.936 39.000 0.095 0.000 1.234 123 F HN 0.636 nan 8.300 nan 0.000 0.445 124 T N -1.633 113.040 114.554 0.198 0.000 2.904 124 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 124 T C 0.392 175.185 174.700 0.154 0.000 1.059 124 T CA 0.762 62.956 62.100 0.157 0.000 1.137 124 T CB 0.170 69.097 68.868 0.099 0.000 0.879 124 T HN 0.581 nan 8.240 nan 0.000 0.467 125 E N -0.458 119.842 120.200 0.166 0.000 2.388 125 E HA 0.509 4.859 4.350 -0.000 0.000 0.289 125 E C -1.991 174.691 176.600 0.137 0.000 0.944 125 E CA -0.706 55.772 56.400 0.129 0.000 0.792 125 E CB 1.758 31.507 29.700 0.081 0.000 1.239 125 E HN 0.361 nan 8.360 nan 0.000 0.412 126 I N 3.160 123.789 120.570 0.097 0.000 2.466 126 I HA 0.379 4.549 4.170 -0.000 0.000 0.279 126 I C -0.762 175.376 176.117 0.036 0.000 1.033 126 I CA -0.296 61.041 61.300 0.063 0.000 1.123 126 I CB 1.685 39.686 38.000 0.003 0.000 1.237 126 I HN 0.297 nan 8.210 nan 0.000 0.460 127 S N 4.756 120.478 115.700 0.037 0.000 2.618 127 S HA 0.517 4.987 4.470 -0.000 0.000 0.277 127 S C -0.806 173.804 174.600 0.017 0.000 1.138 127 S CA -0.661 57.553 58.200 0.023 0.000 0.844 127 S CB 2.341 65.559 63.200 0.031 0.000 1.127 127 S HN 0.461 nan 8.310 nan 0.000 0.474 128 L N 2.477 123.702 121.223 0.004 0.000 2.540 128 L HA 0.332 4.672 4.340 -0.000 0.000 0.276 128 L C -0.674 176.199 176.870 0.004 0.000 1.212 128 L CA 0.014 54.853 54.840 -0.002 0.000 0.893 128 L CB 0.049 42.098 42.059 -0.015 0.000 1.138 128 L HN 0.564 nan 8.230 nan 0.000 0.491 129 L N 8.994 130.221 121.223 0.008 0.000 2.264 129 L HA 0.615 4.955 4.340 -0.000 0.000 0.287 129 L C -2.384 174.489 176.870 0.005 0.000 1.039 129 L CA -2.273 52.575 54.840 0.013 0.000 0.829 129 L CB 0.463 42.535 42.059 0.021 0.000 1.211 129 L HN 0.533 nan 8.230 nan 0.000 0.427 130 P HA 0.340 nan 4.420 nan 0.000 0.274 130 P C -2.675 174.633 177.300 0.015 0.000 1.231 130 P CA -1.147 61.955 63.100 0.002 0.000 0.790 130 P CB -0.039 31.673 31.700 0.020 0.000 0.951 131 P HA 0.072 nan 4.420 nan 0.000 0.274 131 P C -0.226 177.092 177.300 0.031 0.000 1.260 131 P CA -0.119 62.984 63.100 0.005 0.000 0.793 131 P CB 0.166 31.852 31.700 -0.023 0.000 1.048 132 D N -0.077 120.339 120.400 0.027 0.000 2.399 132 D HA -0.029 4.611 4.640 -0.000 0.000 0.241 132 D C 0.908 177.202 176.300 -0.009 0.000 1.133 132 D CA -0.318 53.700 54.000 0.031 0.000 0.890 132 D CB 1.131 41.950 40.800 0.033 0.000 1.201 132 D HN 0.386 nan 8.370 nan 0.000 0.432 133 K N 1.578 121.924 120.400 -0.090 0.000 2.044 133 K HA -0.295 4.024 4.320 -0.000 0.000 0.210 133 K C 1.895 178.355 176.600 -0.233 0.000 1.049 133 K CA 1.767 57.808 56.287 -0.410 0.000 0.927 133 K CB -0.079 31.968 32.500 -0.755 0.000 0.713 133 K HN 0.617 nan 8.250 nan 0.000 0.443 134 E N -0.092 120.059 120.200 -0.081 0.000 2.085 134 E HA -0.225 4.124 4.350 -0.000 0.000 0.194 134 E C 1.813 178.464 176.600 0.085 0.000 0.994 134 E CA 1.241 57.664 56.400 0.038 0.000 0.801 134 E CB -0.215 29.499 29.700 0.023 0.000 0.743 134 E HN 0.482 nan 8.360 nan 0.000 0.453 135 A N 0.545 123.396 122.820 0.052 0.000 1.930 135 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 135 A C 2.387 180.027 177.584 0.092 0.000 1.175 135 A CA 1.281 53.360 52.037 0.069 0.000 0.627 135 A CB -0.491 18.532 19.000 0.037 0.000 0.815 135 A HN 0.228 nan 8.150 nan 0.000 0.443 136 V N -2.157 117.794 119.914 0.060 0.000 2.307 136 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 136 V C 2.227 178.414 176.094 0.156 0.000 1.045 136 V CA 1.750 64.075 62.300 0.041 0.000 1.024 136 V CB -1.062 30.794 31.823 0.054 0.000 0.651 136 V HN 0.796 nan 8.190 nan 0.000 0.449 137 W N 0.050 121.435 121.300 0.141 0.000 2.338 137 W HA -0.202 4.458 4.660 -0.000 0.000 0.304 137 W C 2.576 179.148 176.519 0.089 0.000 1.212 137 W CA 1.124 58.546 57.345 0.128 0.000 1.264 137 W CB -0.256 29.237 29.460 0.055 0.000 1.142 137 W HN 0.215 nan 8.180 nan 0.000 0.512 138 A N -0.758 122.246 122.820 0.307 0.000 2.019 138 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 138 A C 1.611 179.289 177.584 0.157 0.000 1.164 138 A CA 1.375 53.522 52.037 0.182 0.000 0.644 138 A CB -1.062 18.009 19.000 0.119 0.000 0.805 138 A HN 0.433 nan 8.150 nan 0.000 0.449 139 F N 0.698 120.668 119.950 0.032 0.000 2.128 139 F HA 0.074 4.601 4.527 -0.000 0.000 0.295 139 F C 2.464 178.256 175.800 -0.013 0.000 1.100 139 F CA 1.206 59.182 58.000 -0.040 0.000 1.260 139 F CB -0.313 38.588 39.000 -0.165 0.000 1.009 139 F HN 0.227 nan 8.300 nan 0.000 0.476 140 A N 0.451 123.422 122.820 0.252 0.000 1.933 140 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 140 A C 2.122 179.808 177.584 0.170 0.000 1.175 140 A CA 1.862 54.043 52.037 0.240 0.000 0.628 140 A CB -0.987 18.257 19.000 0.406 0.000 0.814 140 A HN 0.505 nan 8.150 nan 0.000 0.444 141 L N -1.914 119.427 121.223 0.195 0.000 2.463 141 L HA 0.119 4.459 4.340 -0.000 0.000 0.219 141 L C 1.417 178.299 176.870 0.021 0.000 1.088 141 L CA 0.665 55.572 54.840 0.112 0.000 0.849 141 L CB 0.030 42.153 42.059 0.107 0.000 1.012 141 L HN 0.373 nan 8.230 nan 0.000 0.468 142 E N -1.049 119.143 120.200 -0.012 0.000 2.641 142 E HA 0.139 4.489 4.350 -0.000 0.000 0.224 142 E C -0.279 176.255 176.600 -0.110 0.000 0.951 142 E CA -0.165 56.208 56.400 -0.046 0.000 1.102 142 E CB 0.622 30.313 29.700 -0.014 0.000 1.091 142 E HN 0.205 nan 8.360 nan 0.000 0.507 143 N N 1.455 120.016 118.700 -0.230 0.000 2.782 143 N HA -0.207 4.532 4.740 -0.000 0.000 0.251 143 N C -0.141 175.222 175.510 -0.244 0.000 1.101 143 N CA 0.967 53.782 53.050 -0.392 0.000 0.764 143 N CB -1.151 37.172 38.487 -0.274 0.000 1.122 143 N HN 0.244 nan 8.380 nan 0.000 0.561 144 K N 1.891 122.226 120.400 -0.108 0.000 2.339 144 K HA 0.253 4.573 4.320 -0.000 0.000 0.286 144 K C -2.374 174.305 176.600 0.132 0.000 1.050 144 K CA -1.144 55.150 56.287 0.012 0.000 0.956 144 K CB 0.801 33.325 32.500 0.040 0.000 0.990 144 K HN -0.175 nan 8.250 nan 0.000 0.475 145 P HA -0.048 nan 4.420 nan 0.000 0.269 145 P C -0.995 176.388 177.300 0.138 0.000 1.209 145 P CA -0.381 62.839 63.100 0.200 0.000 0.776 145 P CB 0.689 32.456 31.700 0.113 0.000 0.876 146 V N 3.221 123.193 119.914 0.097 0.000 2.408 146 V HA 0.050 4.170 4.120 -0.000 0.000 0.267 146 V C 0.811 176.919 176.094 0.023 0.000 1.047 146 V CA 0.108 62.429 62.300 0.034 0.000 0.937 146 V CB 0.381 32.182 31.823 -0.036 0.000 0.999 146 V HN 0.613 nan 8.190 nan 0.000 0.472 147 D N 2.972 123.389 120.400 0.027 0.000 2.413 147 D HA 0.070 4.710 4.640 -0.000 0.000 0.237 147 D C 0.273 176.581 176.300 0.013 0.000 1.171 147 D CA -0.160 53.852 54.000 0.021 0.000 0.839 147 D CB 0.030 40.845 40.800 0.025 0.000 0.950 147 D HN 0.626 nan 8.370 nan 0.000 0.499 148 Q N 1.219 121.022 119.800 0.006 0.000 2.256 148 Q HA 0.397 4.737 4.340 -0.000 0.000 0.257 148 Q C -2.250 173.748 176.000 -0.003 0.000 0.936 148 Q CA -2.153 53.652 55.803 0.004 0.000 0.903 148 Q CB 1.615 30.354 28.738 0.003 0.000 1.263 148 Q HN 0.168 nan 8.270 nan 0.000 0.440 149 P HA 0.048 nan 4.420 nan 0.000 0.272 149 P C -0.622 176.675 177.300 -0.005 0.000 1.230 149 P CA -0.338 62.762 63.100 0.000 0.000 0.788 149 P CB 0.692 32.397 31.700 0.007 0.000 0.949 150 R N 1.912 122.407 120.500 -0.008 0.000 2.537 150 R HA 0.211 4.551 4.340 -0.000 0.000 0.280 150 R C 0.466 176.766 176.300 0.000 0.000 1.058 150 R CA 0.374 56.467 56.100 -0.011 0.000 1.057 150 R CB 0.161 30.453 30.300 -0.012 0.000 0.973 150 R HN 0.524 nan 8.270 nan 0.000 0.438 151 K N 0.758 121.159 120.400 0.002 0.000 2.435 151 K HA 0.686 5.006 4.320 -0.000 0.000 0.251 151 K C -1.068 175.541 176.600 0.014 0.000 0.954 151 K CA -0.786 55.509 56.287 0.013 0.000 0.820 151 K CB 2.539 35.050 32.500 0.019 0.000 1.292 151 K HN 0.611 nan 8.250 nan 0.000 0.436 152 A N 1.621 124.455 122.820 0.024 0.000 2.414 152 A HA 0.449 4.768 4.320 -0.000 0.000 0.306 152 A C -1.377 176.231 177.584 0.040 0.000 1.054 152 A CA -0.812 51.241 52.037 0.026 0.000 0.724 152 A CB 1.023 20.035 19.000 0.020 0.000 1.267 152 A HN 0.648 nan 8.150 nan 0.000 0.418 153 D N 1.052 121.477 120.400 0.042 0.000 2.225 153 D HA 0.468 5.108 4.640 -0.000 0.000 0.248 153 D C -0.848 175.492 176.300 0.066 0.000 1.096 153 D CA 0.243 54.274 54.000 0.051 0.000 0.863 153 D CB 1.874 42.706 40.800 0.054 0.000 1.156 153 D HN 0.148 nan 8.370 nan 0.000 0.450 154 V N 4.290 124.248 119.914 0.073 0.000 2.409 154 V HA 0.342 4.462 4.120 -0.000 0.000 0.290 154 V C 0.152 176.299 176.094 0.087 0.000 1.017 154 V CA -0.672 61.703 62.300 0.126 0.000 0.841 154 V CB 1.461 33.383 31.823 0.165 0.000 1.003 154 V HN 0.373 nan 8.190 nan 0.000 0.426 155 I N 5.852 126.492 120.570 0.116 0.000 2.339 155 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 155 I C -0.092 176.043 176.117 0.030 0.000 0.994 155 I CA -0.138 61.196 61.300 0.057 0.000 1.191 155 I CB 1.475 39.538 38.000 0.105 0.000 1.343 155 I HN 0.446 nan 8.210 nan 0.000 0.458 156 M N 6.387 125.910 119.600 -0.128 0.000 2.578 156 M HA 0.490 4.970 4.480 -0.000 0.000 0.321 156 M C -1.154 175.009 176.300 -0.229 0.000 1.182 156 M CA -0.910 54.224 55.300 -0.277 0.000 0.965 156 M CB 2.632 34.966 32.600 -0.443 0.000 1.694 156 M HN 0.333 nan 8.290 nan 0.000 0.461 157 L N 2.527 123.603 121.223 -0.244 0.000 2.342 157 L HA 0.407 4.747 4.340 -0.000 0.000 0.276 157 L C -1.189 175.564 176.870 -0.195 0.000 0.997 157 L CA -0.188 54.551 54.840 -0.169 0.000 0.838 157 L CB 1.060 43.062 42.059 -0.096 0.000 1.224 157 L HN 0.557 nan 8.230 nan 0.000 0.416 158 D N 4.546 124.850 120.400 -0.160 0.000 2.485 158 D HA 0.555 5.195 4.640 -0.000 0.000 0.221 158 D C 0.974 177.239 176.300 -0.058 0.000 1.112 158 D CA 0.798 54.718 54.000 -0.133 0.000 0.911 158 D CB 0.605 41.339 40.800 -0.111 0.000 1.019 158 D HN 0.859 nan 8.370 nan 0.000 0.516 159 G N 5.028 113.780 108.800 -0.081 0.000 2.889 159 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.308 159 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.308 159 G C 0.812 175.618 174.900 -0.158 0.000 1.248 159 G CA 0.783 45.831 45.100 -0.087 0.000 0.982 159 G HN 0.666 nan 8.290 nan 0.000 0.571 160 K N 0.730 120.948 120.400 -0.302 0.000 2.402 160 K HA 0.406 4.726 4.320 -0.000 0.000 0.204 160 K C 0.266 176.582 176.600 -0.474 0.000 1.056 160 K CA 0.091 56.154 56.287 -0.373 0.000 1.069 160 K CB 0.344 32.593 32.500 -0.418 0.000 0.888 160 K HN 0.650 nan 8.250 nan 0.000 0.546 161 H N 1.059 120.034 119.070 -0.160 0.000 2.562 161 H HA 0.306 4.862 4.556 -0.000 0.000 0.314 161 H C -0.715 174.491 175.328 -0.203 0.000 1.079 161 H CA -0.565 55.374 56.048 -0.182 0.000 1.349 161 H CB 1.069 30.744 29.762 -0.145 0.000 1.432 161 H HN 0.016 nan 8.280 nan 0.000 0.479 162 I N 4.389 124.877 120.570 -0.138 0.000 2.396 162 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 162 I C -0.289 175.705 176.117 -0.204 0.000 0.999 162 I CA 0.086 61.264 61.300 -0.204 0.000 1.310 162 I CB 0.711 38.501 38.000 -0.349 0.000 1.404 162 I HN 0.457 nan 8.210 nan 0.000 0.496 163 I N 5.601 126.029 120.570 -0.237 0.000 2.569 163 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 163 I C -0.701 175.227 176.117 -0.315 0.000 1.088 163 I CA -0.570 60.535 61.300 -0.326 0.000 1.047 163 I CB 1.921 39.600 38.000 -0.535 0.000 1.237 163 I HN 0.489 nan 8.210 nan 0.000 0.421 164 E N 4.818 124.867 120.200 -0.251 0.000 2.133 164 E HA 0.726 5.076 4.350 -0.000 0.000 0.274 164 E C -0.805 175.672 176.600 -0.204 0.000 0.930 164 E CA -0.648 55.664 56.400 -0.146 0.000 0.770 164 E CB 2.094 31.784 29.700 -0.018 0.000 1.104 164 E HN 0.653 nan 8.360 nan 0.000 0.403 165 A N 2.672 125.390 122.820 -0.169 0.000 2.384 165 A HA 0.717 5.036 4.320 -0.000 0.000 0.312 165 A C -0.889 176.707 177.584 0.021 0.000 1.113 165 A CA -0.631 51.350 52.037 -0.093 0.000 0.779 165 A CB 1.475 20.412 19.000 -0.106 0.000 1.307 165 A HN 0.393 nan 8.150 nan 0.000 0.436 166 V N 1.363 121.319 119.914 0.071 0.000 2.588 166 V HA 0.616 4.736 4.120 -0.000 0.000 0.304 166 V C -0.362 175.786 176.094 0.089 0.000 1.042 166 V CA -0.461 61.881 62.300 0.070 0.000 0.877 166 V CB 1.555 33.414 31.823 0.060 0.000 0.996 166 V HN 1.152 nan 8.190 nan 0.000 0.425 167 V N 0.452 120.410 119.914 0.075 0.000 2.680 167 V HA 0.706 4.826 4.120 -0.000 0.000 0.309 167 V C -0.714 175.411 176.094 0.051 0.000 1.052 167 V CA -0.663 61.681 62.300 0.074 0.000 0.908 167 V CB 2.104 33.972 31.823 0.076 0.000 1.001 167 V HN 0.808 nan 8.190 nan 0.000 0.431 168 D N 3.209 123.636 120.400 0.045 0.000 2.396 168 D HA 0.366 5.006 4.640 -0.000 0.000 0.225 168 D C 0.834 177.149 176.300 0.025 0.000 1.121 168 D CA -0.200 53.819 54.000 0.031 0.000 0.853 168 D CB 1.455 42.274 40.800 0.031 0.000 1.043 168 D HN 0.628 nan 8.370 nan 0.000 0.500 169 L N 2.892 124.125 121.223 0.017 0.000 2.093 169 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 169 L C 2.513 179.387 176.870 0.007 0.000 1.085 169 L CA 0.768 55.614 54.840 0.010 0.000 0.755 169 L CB -0.298 41.764 42.059 0.003 0.000 0.904 169 L HN 0.506 nan 8.230 nan 0.000 0.435 170 Q N 0.668 120.472 119.800 0.007 0.000 1.967 170 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 170 Q C 1.767 177.772 176.000 0.009 0.000 0.985 170 Q CA 1.734 57.541 55.803 0.006 0.000 0.839 170 Q CB -0.007 28.735 28.738 0.006 0.000 0.906 170 Q HN 0.458 nan 8.270 nan 0.000 0.423 171 N N 1.220 119.927 118.700 0.012 0.000 2.573 171 N HA -0.131 4.609 4.740 -0.000 0.000 0.187 171 N C -0.121 175.398 175.510 0.015 0.000 1.107 171 N CA 0.942 54.000 53.050 0.014 0.000 0.918 171 N CB -0.414 38.083 38.487 0.016 0.000 0.966 171 N HN 0.380 nan 8.380 nan 0.000 0.448 172 N N 0.440 119.149 118.700 0.016 0.000 2.738 172 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 172 N C -1.173 174.351 175.510 0.024 0.000 1.047 172 N CA 0.850 53.910 53.050 0.017 0.000 0.707 172 N CB -0.863 37.629 38.487 0.010 0.000 0.937 172 N HN 0.519 nan 8.380 nan 0.000 0.545 173 K N -1.402 119.018 120.400 0.033 0.000 2.512 173 K HA 0.587 4.907 4.320 -0.000 0.000 0.263 173 K C -0.923 175.716 176.600 0.064 0.000 0.966 173 K CA -1.274 55.039 56.287 0.043 0.000 0.851 173 K CB 1.325 33.847 32.500 0.037 0.000 1.395 173 K HN -0.015 nan 8.250 nan 0.000 0.440 174 L N 2.815 124.087 121.223 0.082 0.000 2.361 174 L HA 0.185 4.525 4.340 -0.000 0.000 0.278 174 L C 0.163 177.097 176.870 0.107 0.000 1.113 174 L CA -0.023 54.891 54.840 0.123 0.000 0.849 174 L CB 0.190 42.343 42.059 0.158 0.000 1.155 174 L HN 0.844 nan 8.230 nan 0.000 0.452 175 L N 3.141 124.429 121.223 0.107 0.000 2.357 175 L HA 0.263 4.603 4.340 -0.000 0.000 0.211 175 L C 0.517 177.451 176.870 0.107 0.000 1.075 175 L CA 0.495 55.387 54.840 0.087 0.000 0.830 175 L CB -0.099 42.001 42.059 0.067 0.000 0.996 175 L HN 0.818 nan 8.230 nan 0.000 0.467 176 S N -2.268 113.519 115.700 0.145 0.000 2.565 176 S HA 0.423 4.893 4.470 -0.000 0.000 0.269 176 S C -2.070 172.686 174.600 0.260 0.000 1.153 176 S CA -0.750 57.551 58.200 0.167 0.000 0.835 176 S CB 2.131 65.395 63.200 0.107 0.000 1.122 176 S HN 0.195 nan 8.310 nan 0.000 0.462 177 W N 2.065 123.387 121.300 0.037 0.000 2.934 177 W HA 0.431 5.091 4.660 -0.000 0.000 0.333 177 W C -1.937 174.593 176.519 0.019 0.000 1.035 177 W CA -0.157 57.210 57.345 0.036 0.000 1.256 177 W CB 1.724 31.206 29.460 0.036 0.000 1.306 177 W HN 0.811 nan 8.180 nan 0.000 0.430 178 Q N 6.158 125.940 119.800 -0.030 0.000 2.303 178 Q HA 0.341 4.681 4.340 -0.000 0.000 0.267 178 Q C -2.368 173.584 176.000 -0.079 0.000 1.011 178 Q CA -1.814 53.995 55.803 0.010 0.000 0.740 178 Q CB 2.828 31.571 28.738 0.008 0.000 1.250 178 Q HN 0.160 nan 8.270 nan 0.000 0.458 179 P HA 0.110 nan 4.420 nan 0.000 0.268 179 P C -0.395 176.855 177.300 -0.083 0.000 1.204 179 P CA -0.044 63.017 63.100 -0.065 0.000 0.768 179 P CB 0.631 32.323 31.700 -0.014 0.000 0.842 180 I N 2.957 123.444 120.570 -0.138 0.000 2.337 180 I HA 0.227 4.396 4.170 -0.000 0.000 0.285 180 I C 0.858 176.877 176.117 -0.163 0.000 1.041 180 I CA -0.918 60.284 61.300 -0.164 0.000 1.199 180 I CB 0.316 38.146 38.000 -0.284 0.000 1.370 180 I HN 0.352 nan 8.210 nan 0.000 0.470 181 K N 6.186 126.527 120.400 -0.099 0.000 2.489 181 K HA -0.066 4.253 4.320 -0.000 0.000 0.278 181 K C 0.354 176.893 176.600 -0.102 0.000 1.000 181 K CA 0.546 56.784 56.287 -0.082 0.000 1.012 181 K CB 0.496 32.968 32.500 -0.045 0.000 0.903 181 K HN 0.557 nan 8.250 nan 0.000 0.485 182 D N -0.283 120.052 120.400 -0.109 0.000 3.006 182 D HA -0.234 4.406 4.640 -0.000 0.000 0.208 182 D C -0.362 175.836 176.300 -0.170 0.000 1.116 182 D CA 1.597 55.526 54.000 -0.119 0.000 0.998 182 D CB -1.110 39.663 40.800 -0.045 0.000 1.124 182 D HN 0.659 nan 8.370 nan 0.000 0.413 183 A N 0.704 123.375 122.820 -0.248 0.000 2.388 183 A HA 0.351 4.671 4.320 -0.000 0.000 0.257 183 A C 0.194 177.570 177.584 -0.347 0.000 1.095 183 A CA 0.084 51.934 52.037 -0.311 0.000 0.791 183 A CB 0.450 19.019 19.000 -0.719 0.000 1.029 183 A HN 0.223 nan 8.150 nan 0.000 0.489 184 H N 1.113 120.091 119.070 -0.154 0.000 2.467 184 H HA 0.407 4.963 4.556 -0.000 0.000 0.326 184 H C 0.823 176.110 175.328 -0.069 0.000 1.094 184 H CA 0.260 56.237 56.048 -0.118 0.000 1.253 184 H CB 1.683 31.391 29.762 -0.091 0.000 1.439 184 H HN 0.878 nan 8.280 nan 0.000 0.479 185 G N 2.624 111.426 108.800 0.003 0.000 2.539 185 G HA2 0.290 4.250 3.960 -0.000 0.000 0.258 185 G HA3 0.290 4.250 3.960 -0.000 0.000 0.258 185 G C 0.711 175.620 174.900 0.015 0.000 1.202 185 G CA -0.713 44.403 45.100 0.026 0.000 0.851 185 G HN 0.657 nan 8.290 nan 0.000 0.556 186 M N 0.381 119.986 119.600 0.008 0.000 2.167 186 M HA 0.362 4.842 4.480 -0.000 0.000 0.300 186 M C -0.264 175.974 176.300 -0.103 0.000 1.171 186 M CA -0.287 54.974 55.300 -0.065 0.000 1.171 186 M CB 0.429 33.001 32.600 -0.048 0.000 1.396 186 M HN 0.112 nan 8.290 nan 0.000 0.466 187 V N 3.002 122.791 119.914 -0.208 0.000 2.479 187 V HA 0.191 4.311 4.120 -0.000 0.000 0.281 187 V C 0.395 176.473 176.094 -0.027 0.000 1.031 187 V CA -0.104 62.077 62.300 -0.199 0.000 1.038 187 V CB -0.059 31.500 31.823 -0.440 0.000 0.981 187 V HN 0.629 nan 8.190 nan 0.000 0.478 188 L N 4.953 126.162 121.223 -0.023 0.000 2.352 188 L HA 0.430 4.770 4.340 -0.000 0.000 0.269 188 L C 1.288 178.129 176.870 -0.048 0.000 1.034 188 L CA -0.764 54.044 54.840 -0.053 0.000 0.806 188 L CB 1.451 43.431 42.059 -0.132 0.000 1.244 188 L HN 0.507 nan 8.230 nan 0.000 0.447 189 L N 0.770 121.869 121.223 -0.206 0.000 2.043 189 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 189 L C 2.109 178.897 176.870 -0.137 0.000 1.075 189 L CA 1.444 56.203 54.840 -0.136 0.000 0.752 189 L CB -0.573 41.391 42.059 -0.158 0.000 0.891 189 L HN 0.841 nan 8.230 nan 0.000 0.432 190 D N -0.829 119.316 120.400 -0.425 0.000 2.309 190 D HA -0.212 4.428 4.640 -0.000 0.000 0.212 190 D C 1.362 177.651 176.300 -0.018 0.000 0.968 190 D CA 1.021 54.943 54.000 -0.131 0.000 0.882 190 D CB -0.490 40.271 40.800 -0.065 0.000 0.918 190 D HN 0.329 nan 8.370 nan 0.000 0.503 191 D N -0.160 120.226 120.400 -0.022 0.000 2.219 191 D HA -0.098 4.541 4.640 -0.000 0.000 0.205 191 D C 1.693 177.986 176.300 -0.012 0.000 0.970 191 D CA 0.482 54.460 54.000 -0.037 0.000 0.851 191 D CB -0.403 40.336 40.800 -0.102 0.000 0.943 191 D HN 0.265 nan 8.370 nan 0.000 0.488 192 F N 1.587 121.515 119.950 -0.038 0.000 2.113 192 F HA -0.053 4.473 4.527 -0.000 0.000 0.297 192 F C 2.559 178.344 175.800 -0.025 0.000 1.103 192 F CA 0.922 58.920 58.000 -0.002 0.000 1.248 192 F CB -0.662 38.359 39.000 0.036 0.000 0.999 192 F HN -0.082 nan 8.300 nan 0.000 0.475 193 A N -0.664 122.255 122.820 0.166 0.000 1.930 193 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 193 A C 2.344 179.941 177.584 0.021 0.000 1.175 193 A CA 1.862 53.945 52.037 0.076 0.000 0.627 193 A CB -1.030 18.009 19.000 0.066 0.000 0.815 193 A HN 0.317 nan 8.150 nan 0.000 0.443 194 S N -0.260 115.443 115.700 0.005 0.000 2.368 194 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 194 S C 1.874 176.436 174.600 -0.063 0.000 1.030 194 S CA 1.384 59.567 58.200 -0.029 0.000 0.999 194 S CB -0.585 62.591 63.200 -0.040 0.000 0.844 194 S HN 0.320 nan 8.310 nan 0.000 0.459 195 V N 1.913 121.777 119.914 -0.083 0.000 2.287 195 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 195 V C 2.699 178.707 176.094 -0.144 0.000 1.053 195 V CA 2.217 64.439 62.300 -0.130 0.000 1.027 195 V CB -0.709 31.019 31.823 -0.158 0.000 0.646 195 V HN 0.424 nan 8.190 nan 0.000 0.447 196 Q N 0.497 120.239 119.800 -0.098 0.000 2.084 196 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 196 Q C 2.084 178.021 176.000 -0.104 0.000 0.978 196 Q CA 2.178 57.918 55.803 -0.105 0.000 0.844 196 Q CB -0.596 28.111 28.738 -0.052 0.000 0.898 196 Q HN 0.680 nan 8.270 nan 0.000 0.426 197 N N -0.295 118.362 118.700 -0.072 0.000 2.142 197 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 197 N C 1.740 177.203 175.510 -0.078 0.000 1.023 197 N CA 1.393 54.408 53.050 -0.058 0.000 0.852 197 N CB -0.051 38.416 38.487 -0.033 0.000 0.998 197 N HN 0.386 nan 8.380 nan 0.000 0.424 198 I N 0.426 120.935 120.570 -0.101 0.000 2.394 198 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 198 I C 1.938 177.954 176.117 -0.168 0.000 1.136 198 I CA 0.555 61.786 61.300 -0.114 0.000 1.425 198 I CB -0.032 37.897 38.000 -0.119 0.000 1.079 198 I HN 0.088 nan 8.210 nan 0.000 0.425 199 I N 0.914 121.332 120.570 -0.254 0.000 2.233 199 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 199 I C 2.042 178.027 176.117 -0.220 0.000 1.093 199 I CA 1.678 62.710 61.300 -0.446 0.000 1.380 199 I CB -0.675 36.904 38.000 -0.702 0.000 1.067 199 I HN 0.194 nan 8.210 nan 0.000 0.413 200 N N 0.354 118.975 118.700 -0.131 0.000 2.192 200 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 200 N C 0.951 176.451 175.510 -0.016 0.000 1.013 200 N CA 1.412 54.435 53.050 -0.045 0.000 0.863 200 N CB -0.358 38.107 38.487 -0.036 0.000 0.990 200 N HN 0.509 nan 8.380 nan 0.000 0.430 201 N N -0.262 118.419 118.700 -0.032 0.000 2.322 201 N HA 0.019 4.759 4.740 -0.000 0.000 0.194 201 N C -0.476 175.034 175.510 0.000 0.000 1.126 201 N CA -0.243 52.799 53.050 -0.013 0.000 0.845 201 N CB 0.522 38.996 38.487 -0.021 0.000 0.976 201 N HN -0.053 nan 8.380 nan 0.000 0.475 202 S N 1.647 117.354 115.700 0.011 0.000 2.411 202 S HA 0.033 4.503 4.470 -0.000 0.000 0.294 202 S C 1.341 175.997 174.600 0.093 0.000 1.115 202 S CA -0.791 57.439 58.200 0.050 0.000 1.071 202 S CB 0.504 63.749 63.200 0.076 0.000 0.967 202 S HN 0.211 nan 8.310 nan 0.000 0.488 203 E N 5.264 125.497 120.200 0.056 0.000 2.077 203 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 203 E C 1.097 177.728 176.600 0.051 0.000 0.989 203 E CA 1.556 57.983 56.400 0.045 0.000 0.800 203 E CB -0.635 29.080 29.700 0.024 0.000 0.746 203 E HN 0.863 nan 8.360 nan 0.000 0.452 204 E N 0.048 120.283 120.200 0.057 0.000 2.106 204 E HA -0.087 4.262 4.350 -0.000 0.000 0.192 204 E C 1.865 178.499 176.600 0.057 0.000 0.984 204 E CA 1.068 57.495 56.400 0.044 0.000 0.806 204 E CB -0.402 29.323 29.700 0.041 0.000 0.750 204 E HN 0.247 nan 8.360 nan 0.000 0.458 205 F N 1.314 121.247 119.950 -0.028 0.000 2.146 205 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 205 F C 2.224 178.008 175.800 -0.028 0.000 1.096 205 F CA 1.259 59.240 58.000 -0.032 0.000 1.275 205 F CB -0.234 38.744 39.000 -0.037 0.000 1.008 205 F HN -0.023 nan 8.300 nan 0.000 0.480 206 A N 0.135 123.035 122.820 0.133 0.000 1.972 206 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 206 A C 2.344 179.893 177.584 -0.060 0.000 1.169 206 A CA 1.615 53.674 52.037 0.037 0.000 0.635 206 A CB -1.421 17.619 19.000 0.067 0.000 0.810 206 A HN 0.464 nan 8.150 nan 0.000 0.446 207 A N -0.191 122.598 122.820 -0.053 0.000 1.897 207 A HA 0.243 4.563 4.320 -0.000 0.000 0.215 207 A C 2.480 179.995 177.584 -0.114 0.000 1.181 207 A CA 1.763 53.761 52.037 -0.064 0.000 0.620 207 A CB -0.928 18.050 19.000 -0.037 0.000 0.821 207 A HN 0.996 nan 8.150 nan 0.000 0.443 208 A N -0.541 122.171 122.820 -0.180 0.000 1.902 208 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 208 A C 2.221 179.648 177.584 -0.262 0.000 1.181 208 A CA 1.789 53.689 52.037 -0.227 0.000 0.623 208 A CB -0.886 17.927 19.000 -0.311 0.000 0.818 208 A HN 0.361 nan 8.150 nan 0.000 0.443 209 V N 0.214 119.919 119.914 -0.348 0.000 2.358 209 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 209 V C 2.588 178.601 176.094 -0.135 0.000 1.047 209 V CA 2.488 64.626 62.300 -0.271 0.000 1.035 209 V CB -0.570 31.094 31.823 -0.265 0.000 0.658 209 V HN 0.733 nan 8.190 nan 0.000 0.452 210 K N 1.290 121.626 120.400 -0.106 0.000 2.063 210 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 210 K C 2.186 178.752 176.600 -0.056 0.000 1.048 210 K CA 2.023 58.273 56.287 -0.061 0.000 0.928 210 K CB -0.464 32.009 32.500 -0.045 0.000 0.713 210 K HN 0.401 nan 8.250 nan 0.000 0.442 211 K N 0.780 121.139 120.400 -0.069 0.000 2.103 211 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 211 K C 0.942 177.512 176.600 -0.049 0.000 1.048 211 K CA 1.408 57.661 56.287 -0.055 0.000 0.930 211 K CB -0.069 32.393 32.500 -0.064 0.000 0.716 211 K HN 0.188 nan 8.250 nan 0.000 0.444 212 R N -0.193 120.269 120.500 -0.064 0.000 2.541 212 R HA 0.072 4.412 4.340 -0.000 0.000 0.245 212 R C 0.894 177.179 176.300 -0.026 0.000 1.154 212 R CA 0.450 56.522 56.100 -0.047 0.000 1.179 212 R CB 0.057 30.319 30.300 -0.063 0.000 1.189 212 R HN 0.560 nan 8.270 nan 0.000 0.526 213 G N 1.241 110.028 108.800 -0.021 0.000 2.234 213 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 213 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 213 G C 0.144 175.041 174.900 -0.006 0.000 0.987 213 G CA -0.261 44.834 45.100 -0.008 0.000 0.625 213 G HN 0.252 nan 8.290 nan 0.000 0.532 214 I N 2.669 123.230 120.570 -0.015 0.000 2.421 214 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 214 I C 2.002 178.113 176.117 -0.010 0.000 1.089 214 I CA 0.948 62.242 61.300 -0.009 0.000 1.354 214 I CB 1.177 39.168 38.000 -0.014 0.000 1.413 214 I HN 0.328 nan 8.210 nan 0.000 0.513 215 T N 0.861 115.413 114.554 -0.003 0.000 2.812 215 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 215 T C 0.788 175.487 174.700 -0.001 0.000 1.042 215 T CA 0.740 62.838 62.100 -0.003 0.000 1.140 215 T CB -0.058 68.810 68.868 -0.001 0.000 0.870 215 T HN 0.465 nan 8.240 nan 0.000 0.445 216 D N 0.819 121.220 120.400 0.002 0.000 2.464 216 D HA 0.625 5.265 4.640 -0.000 0.000 0.243 216 D C 0.973 177.281 176.300 0.012 0.000 1.104 216 D CA -0.266 53.737 54.000 0.005 0.000 0.883 216 D CB 1.104 41.906 40.800 0.003 0.000 1.050 216 D HN 0.248 nan 8.370 nan 0.000 0.524 217 A N 4.194 127.025 122.820 0.018 0.000 2.131 217 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 217 A C 1.720 179.329 177.584 0.041 0.000 1.158 217 A CA 1.086 53.146 52.037 0.038 0.000 0.665 217 A CB -0.245 18.789 19.000 0.055 0.000 0.795 217 A HN 0.583 nan 8.150 nan 0.000 0.460 218 K N -0.203 120.211 120.400 0.023 0.000 2.504 218 K HA -0.007 4.313 4.320 -0.000 0.000 0.195 218 K C 0.914 177.518 176.600 0.007 0.000 1.036 218 K CA 0.790 57.086 56.287 0.014 0.000 0.984 218 K CB 0.018 32.523 32.500 0.008 0.000 0.788 218 K HN 0.387 nan 8.250 nan 0.000 0.488 219 K N 1.073 121.479 120.400 0.010 0.000 2.410 219 K HA 0.113 4.433 4.320 -0.000 0.000 0.200 219 K C -0.329 176.276 176.600 0.008 0.000 1.023 219 K CA -0.062 56.227 56.287 0.003 0.000 1.149 219 K CB 0.747 33.249 32.500 0.002 0.000 0.859 219 K HN -0.111 nan 8.250 nan 0.000 0.514 220 V N 3.176 123.103 119.914 0.021 0.000 2.455 220 V HA 0.110 4.230 4.120 -0.000 0.000 0.273 220 V C 0.108 176.185 176.094 -0.028 0.000 1.045 220 V CA -0.324 61.998 62.300 0.038 0.000 0.976 220 V CB 0.848 32.742 31.823 0.118 0.000 0.993 220 V HN 0.119 nan 8.190 nan 0.000 0.475 221 I N 5.076 125.599 120.570 -0.078 0.000 2.336 221 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 221 I C 0.718 176.733 176.117 -0.170 0.000 0.991 221 I CA -0.056 61.094 61.300 -0.250 0.000 1.227 221 I CB 1.550 39.145 38.000 -0.675 0.000 1.366 221 I HN 0.724 nan 8.210 nan 0.000 0.466 222 T N 1.721 116.183 114.554 -0.154 0.000 2.902 222 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 222 T C 0.070 174.745 174.700 -0.042 0.000 0.992 222 T CA -0.645 61.402 62.100 -0.087 0.000 1.015 222 T CB 2.107 70.898 68.868 -0.128 0.000 1.044 222 T HN 0.604 nan 8.240 nan 0.000 0.520 223 T N 2.666 117.244 114.554 0.040 0.000 3.011 223 T HA 0.539 4.889 4.350 -0.000 0.000 0.303 223 T C -3.106 171.626 174.700 0.053 0.000 0.997 223 T CA -1.530 60.660 62.100 0.150 0.000 1.007 223 T CB 1.571 70.643 68.868 0.340 0.000 1.017 223 T HN 0.599 nan 8.240 nan 0.000 0.443 224 P HA 0.547 nan 4.420 nan 0.000 0.290 224 P C -1.111 176.167 177.300 -0.036 0.000 1.276 224 P CA -0.616 62.388 63.100 -0.161 0.000 0.808 224 P CB 1.237 32.674 31.700 -0.439 0.000 0.966 225 L N 2.034 123.231 121.223 -0.042 0.000 2.388 225 L HA 0.443 4.783 4.340 -0.000 0.000 0.264 225 L C 0.838 177.687 176.870 -0.036 0.000 0.998 225 L CA -0.853 53.980 54.840 -0.011 0.000 0.817 225 L CB 2.457 44.535 42.059 0.032 0.000 1.338 225 L HN 0.354 nan 8.230 nan 0.000 0.414 226 T N -1.559 112.977 114.554 -0.029 0.000 2.918 226 T HA 0.184 4.534 4.350 -0.000 0.000 0.302 226 T C 0.943 175.649 174.700 0.011 0.000 1.045 226 T CA -0.523 61.538 62.100 -0.065 0.000 1.114 226 T CB 1.460 70.275 68.868 -0.090 0.000 0.965 226 T HN 0.493 nan 8.240 nan 0.000 0.540 227 V N -0.693 119.187 119.914 -0.056 0.000 3.649 227 V HA 0.517 4.636 4.120 -0.000 0.000 0.275 227 V C 1.324 177.506 176.094 0.147 0.000 1.281 227 V CA 0.506 62.782 62.300 -0.041 0.000 1.143 227 V CB -1.686 30.024 31.823 -0.188 0.000 0.892 227 V HN 1.618 nan 8.190 nan 0.000 0.441 228 G N 0.479 109.323 108.800 0.073 0.000 2.569 228 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.259 228 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.259 228 G C -0.615 174.286 174.900 0.001 0.000 1.263 228 G CA 0.541 45.659 45.100 0.030 0.000 0.928 228 G HN 1.519 nan 8.290 nan 0.000 0.572 229 Y N -0.715 119.343 120.300 -0.402 0.000 2.396 229 Y HA 0.652 5.201 4.550 -0.000 0.000 0.332 229 Y C -0.597 174.752 175.900 -0.918 0.000 1.034 229 Y CA -1.419 56.395 58.100 -0.477 0.000 1.057 229 Y CB 1.239 39.442 38.460 -0.428 0.000 1.220 229 Y HN 0.513 nan 8.280 nan 0.000 0.440 230 F N 3.919 123.251 119.950 -1.029 0.000 2.810 230 F HA 0.228 4.755 4.527 -0.000 0.000 0.353 230 F C 0.355 175.484 175.800 -1.118 0.000 1.227 230 F CA -0.695 56.763 58.000 -0.904 0.000 1.210 230 F CB 0.391 39.249 39.000 -0.237 0.000 1.039 230 F HN 0.581 nan 8.300 nan 0.000 0.509 231 D N 1.346 120.621 120.400 -1.875 0.000 2.686 231 D HA -0.201 4.439 4.640 -0.000 0.000 0.235 231 D C 1.445 177.506 176.300 -0.400 0.000 1.160 231 D CA 1.489 54.874 54.000 -1.025 0.000 0.645 231 D CB -0.876 39.643 40.800 -0.468 0.000 1.039 231 D HN 0.777 nan 8.370 nan 0.000 0.423 232 G N -0.099 108.494 108.800 -0.346 0.000 2.234 232 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.260 232 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.260 232 G C 1.260 176.106 174.900 -0.090 0.000 0.987 232 G CA 0.710 45.726 45.100 -0.140 0.000 0.625 232 G HN 0.476 nan 8.290 nan 0.000 0.532 233 K N 0.988 121.341 120.400 -0.079 0.000 2.360 233 K HA -0.036 4.284 4.320 -0.000 0.000 0.201 233 K C 1.727 178.272 176.600 -0.091 0.000 1.046 233 K CA 1.565 57.820 56.287 -0.053 0.000 0.945 233 K CB -0.162 32.334 32.500 -0.006 0.000 0.750 233 K HN 0.736 nan 8.250 nan 0.000 0.464 234 D N -0.693 119.668 120.400 -0.064 0.000 2.339 234 D HA 0.054 4.694 4.640 -0.000 0.000 0.217 234 D C 1.079 177.348 176.300 -0.052 0.000 1.050 234 D CA 0.555 54.514 54.000 -0.068 0.000 0.856 234 D CB -0.041 40.751 40.800 -0.013 0.000 0.922 234 D HN 0.175 nan 8.370 nan 0.000 0.518 235 G N 0.314 109.082 108.800 -0.053 0.000 2.148 235 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 235 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 235 G C -0.082 174.792 174.900 -0.044 0.000 0.981 235 G CA 0.378 45.450 45.100 -0.046 0.000 0.670 235 G HN 0.418 nan 8.290 nan 0.000 0.528 236 L N 0.444 121.641 121.223 -0.043 0.000 2.295 236 L HA 0.459 4.799 4.340 -0.000 0.000 0.285 236 L C 0.979 177.836 176.870 -0.022 0.000 1.035 236 L CA -1.087 53.729 54.840 -0.040 0.000 0.806 236 L CB 1.556 43.583 42.059 -0.053 0.000 1.214 236 L HN 0.284 nan 8.230 nan 0.000 0.426 237 K N 2.294 122.685 120.400 -0.015 0.000 2.451 237 K HA -0.038 4.282 4.320 -0.000 0.000 0.280 237 K C 0.547 177.164 176.600 0.029 0.000 1.020 237 K CA -0.198 56.092 56.287 0.005 0.000 1.008 237 K CB 1.124 33.625 32.500 0.000 0.000 0.917 237 K HN 0.510 nan 8.250 nan 0.000 0.478 238 Q N 2.378 122.212 119.800 0.057 0.000 2.172 238 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 238 Q C 1.359 177.455 176.000 0.159 0.000 0.964 238 Q CA 2.157 58.021 55.803 0.102 0.000 0.855 238 Q CB -0.143 28.662 28.738 0.111 0.000 0.918 238 Q HN 0.921 nan 8.270 nan 0.000 0.444 239 D N -0.553 119.899 120.400 0.087 0.000 2.269 239 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 239 D C -0.035 176.288 176.300 0.037 0.000 0.963 239 D CA 0.680 54.705 54.000 0.043 0.000 0.864 239 D CB -0.133 40.672 40.800 0.007 0.000 0.936 239 D HN 0.198 nan 8.370 nan 0.000 0.505 240 A N 0.689 123.546 122.820 0.061 0.000 2.371 240 A HA 0.336 4.656 4.320 -0.000 0.000 0.257 240 A C 0.363 177.992 177.584 0.074 0.000 1.089 240 A CA -0.473 51.579 52.037 0.025 0.000 0.794 240 A CB 0.239 19.237 19.000 -0.002 0.000 1.029 240 A HN 0.242 nan 8.150 nan 0.000 0.488 241 R N 2.152 122.650 120.500 -0.003 0.000 2.220 241 R HA 0.507 4.846 4.340 -0.000 0.000 0.340 241 R C -1.162 175.114 176.300 -0.039 0.000 1.076 241 R CA 0.010 56.114 56.100 0.006 0.000 0.920 241 R CB -0.188 30.072 30.300 -0.066 0.000 1.062 241 R HN 0.700 nan 8.270 nan 0.000 0.469 242 L N 5.163 126.353 121.223 -0.055 0.000 2.323 242 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 242 L C -0.683 176.104 176.870 -0.137 0.000 1.012 242 L CA -1.247 53.532 54.840 -0.102 0.000 0.820 242 L CB 2.032 44.025 42.059 -0.110 0.000 1.334 242 L HN 0.505 nan 8.230 nan 0.000 0.427 243 L N 0.985 122.114 121.223 -0.156 0.000 2.434 243 L HA 0.510 4.850 4.340 -0.000 0.000 0.260 243 L C -0.808 175.941 176.870 -0.200 0.000 0.983 243 L CA -0.739 53.995 54.840 -0.177 0.000 0.820 243 L CB 2.869 44.817 42.059 -0.185 0.000 1.361 243 L HN 0.492 nan 8.230 nan 0.000 0.410 244 K N 0.963 121.228 120.400 -0.225 0.000 2.123 244 K HA 0.727 5.047 4.320 -0.000 0.000 0.259 244 K C -1.318 175.187 176.600 -0.159 0.000 0.960 244 K CA -0.660 55.458 56.287 -0.280 0.000 0.872 244 K CB 2.341 34.491 32.500 -0.584 0.000 1.079 244 K HN 0.227 nan 8.250 nan 0.000 0.440 245 V N 4.450 124.282 119.914 -0.136 0.000 2.444 245 V HA 0.348 4.468 4.120 -0.000 0.000 0.294 245 V C -0.445 175.620 176.094 -0.050 0.000 1.022 245 V CA -0.948 61.294 62.300 -0.096 0.000 0.850 245 V CB 1.458 33.189 31.823 -0.153 0.000 0.992 245 V HN 0.625 nan 8.190 nan 0.000 0.426 246 I N 3.272 123.820 120.570 -0.038 0.000 2.437 246 I HA 0.572 4.741 4.170 -0.000 0.000 0.298 246 I C 0.391 176.428 176.117 -0.133 0.000 0.984 246 I CA 0.217 61.452 61.300 -0.108 0.000 1.214 246 I CB 2.065 39.985 38.000 -0.133 0.000 1.365 246 I HN 0.614 nan 8.210 nan 0.000 0.469 247 S N 5.292 120.846 115.700 -0.244 0.000 2.566 247 S HA 0.767 5.237 4.470 -0.000 0.000 0.298 247 S C -1.175 173.160 174.600 -0.443 0.000 1.083 247 S CA -0.494 57.596 58.200 -0.184 0.000 0.978 247 S CB 1.995 65.240 63.200 0.076 0.000 1.073 247 S HN 0.355 nan 8.310 nan 0.000 0.491 248 Y N 0.309 120.620 120.300 0.018 0.000 2.609 248 Y HA 0.656 5.205 4.550 -0.000 0.000 0.342 248 Y C -0.765 175.173 175.900 0.063 0.000 1.058 248 Y CA -1.131 57.017 58.100 0.081 0.000 1.055 248 Y CB 1.038 39.575 38.460 0.129 0.000 1.292 248 Y HN 0.454 nan 8.280 nan 0.000 0.476 249 L N 2.283 123.689 121.223 0.305 0.000 2.296 249 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 249 L C -0.758 176.195 176.870 0.138 0.000 1.023 249 L CA -0.504 54.437 54.840 0.167 0.000 0.812 249 L CB 0.922 43.056 42.059 0.126 0.000 1.223 249 L HN 0.590 nan 8.230 nan 0.000 0.421 250 D N 3.291 123.728 120.400 0.062 0.000 2.336 250 D HA 0.118 4.758 4.640 -0.000 0.000 0.249 250 D C 0.717 176.988 176.300 -0.048 0.000 1.213 250 D CA -0.072 53.954 54.000 0.043 0.000 0.870 250 D CB 1.177 41.995 40.800 0.029 0.000 1.076 250 D HN 0.380 nan 8.370 nan 0.000 0.483 251 V N 1.714 121.534 119.914 -0.156 0.000 3.542 251 V HA 0.438 4.558 4.120 -0.000 0.000 0.296 251 V C 1.328 177.368 176.094 -0.090 0.000 1.364 251 V CA 0.423 62.610 62.300 -0.187 0.000 1.118 251 V CB -0.153 31.453 31.823 -0.362 0.000 0.972 251 V HN 0.713 nan 8.190 nan 0.000 0.430 252 G N 1.993 110.770 108.800 -0.039 0.000 2.175 252 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 252 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 252 G C 0.326 175.215 174.900 -0.018 0.000 0.982 252 G CA 0.483 45.571 45.100 -0.021 0.000 0.641 252 G HN 0.811 nan 8.290 nan 0.000 0.527 253 D N 0.113 120.512 120.400 -0.002 0.000 2.339 253 D HA 0.383 5.023 4.640 -0.000 0.000 0.217 253 D C 1.788 178.045 176.300 -0.071 0.000 1.050 253 D CA 0.541 54.535 54.000 -0.009 0.000 0.856 253 D CB -0.586 40.258 40.800 0.072 0.000 0.922 253 D HN 1.563 nan 8.370 nan 0.000 0.518 254 G N 0.757 109.527 108.800 -0.051 0.000 2.153 254 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.252 254 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.252 254 G C 0.167 175.011 174.900 -0.093 0.000 0.994 254 G CA 0.235 45.273 45.100 -0.103 0.000 0.698 254 G HN 0.566 nan 8.290 nan 0.000 0.521 255 N N -0.169 118.558 118.700 0.044 0.000 2.752 255 N HA 0.352 5.092 4.740 -0.000 0.000 0.260 255 N C 1.071 176.686 175.510 0.176 0.000 1.562 255 N CA -0.388 52.745 53.050 0.138 0.000 0.788 255 N CB -0.068 38.526 38.487 0.178 0.000 1.192 255 N HN 0.348 nan 8.380 nan 0.000 0.503 256 Y N -0.508 119.852 120.300 0.100 0.000 2.256 256 Y HA -0.038 4.512 4.550 -0.000 0.000 0.288 256 Y C 1.234 177.102 175.900 -0.054 0.000 1.155 256 Y CA 0.814 58.953 58.100 0.064 0.000 1.203 256 Y CB -0.823 37.541 38.460 -0.160 0.000 0.980 256 Y HN 0.277 nan 8.280 nan 0.000 0.530 257 W N 1.177 122.252 121.300 -0.374 0.000 2.359 257 W HA -0.072 4.588 4.660 -0.000 0.000 0.275 257 W C 2.315 178.895 176.519 0.102 0.000 1.217 257 W CA 1.407 58.530 57.345 -0.369 0.000 1.196 257 W CB -0.321 28.928 29.460 -0.352 0.000 1.129 257 W HN 0.208 nan 8.180 nan 0.000 0.566 258 A N -0.780 122.174 122.820 0.224 0.000 2.278 258 A HA 0.038 4.358 4.320 -0.000 0.000 0.212 258 A C 0.184 177.570 177.584 -0.331 0.000 1.213 258 A CA 0.391 52.513 52.037 0.141 0.000 0.840 258 A CB -0.662 18.231 19.000 -0.179 0.000 0.866 258 A HN 0.332 nan 8.150 nan 0.000 0.489 259 H N 0.403 119.739 119.070 0.444 0.000 2.379 259 H HA 0.219 4.775 4.556 -0.000 0.000 0.229 259 H C -2.975 172.585 175.328 0.386 0.000 1.423 259 H CA -1.964 54.296 56.048 0.353 0.000 1.375 259 H CB 0.028 29.953 29.762 0.270 0.000 1.592 259 H HN 0.307 nan 8.280 nan 0.000 0.507 260 P HA 0.087 nan 4.420 nan 0.000 0.269 260 P C 0.375 177.720 177.300 0.074 0.000 1.209 260 P CA -0.066 63.145 63.100 0.185 0.000 0.776 260 P CB 1.539 33.357 31.700 0.198 0.000 0.876 261 I N 1.425 121.953 120.570 -0.070 0.000 2.479 261 I HA 0.192 4.362 4.170 -0.000 0.000 0.279 261 I C 0.800 176.885 176.117 -0.054 0.000 1.102 261 I CA -0.676 60.603 61.300 -0.035 0.000 1.196 261 I CB 0.308 38.279 38.000 -0.049 0.000 1.427 261 I HN 0.216 nan 8.210 nan 0.000 0.503 262 E N 3.912 124.117 120.200 0.008 0.000 2.413 262 E HA 0.043 4.393 4.350 -0.000 0.000 0.263 262 E C 0.386 177.007 176.600 0.034 0.000 1.015 262 E CA 0.770 57.197 56.400 0.046 0.000 0.916 262 E CB 0.200 29.965 29.700 0.109 0.000 0.947 262 E HN 0.532 nan 8.360 nan 0.000 0.440 263 N N 0.446 119.179 118.700 0.055 0.000 2.850 263 N HA -0.257 4.482 4.740 -0.000 0.000 0.249 263 N C -1.029 174.487 175.510 0.009 0.000 1.060 263 N CA 0.323 53.403 53.050 0.050 0.000 0.825 263 N CB -1.015 37.504 38.487 0.053 0.000 1.132 263 N HN 0.218 nan 8.380 nan 0.000 0.564 264 L N 1.088 122.300 121.223 -0.019 0.000 2.342 264 L HA 0.664 5.004 4.340 -0.000 0.000 0.276 264 L C -0.993 175.875 176.870 -0.003 0.000 0.997 264 L CA -0.809 54.009 54.840 -0.038 0.000 0.838 264 L CB 1.743 43.742 42.059 -0.099 0.000 1.224 264 L HN -0.109 nan 8.230 nan 0.000 0.416 265 V N 4.211 124.136 119.914 0.018 0.000 2.638 265 V HA 0.904 5.024 4.120 -0.000 0.000 0.306 265 V C -0.153 175.958 176.094 0.029 0.000 1.052 265 V CA -0.423 61.885 62.300 0.013 0.000 0.885 265 V CB 1.616 33.422 31.823 -0.027 0.000 0.999 265 V HN 0.906 nan 8.190 nan 0.000 0.424 266 A N 3.891 126.727 122.820 0.026 0.000 2.350 266 A HA 0.895 5.215 4.320 -0.000 0.000 0.324 266 A C -0.908 176.613 177.584 -0.105 0.000 1.118 266 A CA -0.608 51.433 52.037 0.008 0.000 0.783 266 A CB 1.748 20.766 19.000 0.030 0.000 1.236 266 A HN 0.684 nan 8.150 nan 0.000 0.457 267 V N 2.804 122.652 119.914 -0.110 0.000 2.370 267 V HA 0.443 4.562 4.120 -0.000 0.000 0.283 267 V C -0.319 175.701 176.094 -0.123 0.000 1.023 267 V CA -0.387 61.823 62.300 -0.149 0.000 0.857 267 V CB 1.358 33.094 31.823 -0.146 0.000 0.985 267 V HN 0.649 nan 8.190 nan 0.000 0.443 268 V N 3.751 123.583 119.914 -0.137 0.000 2.513 268 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 268 V C -0.335 175.694 176.094 -0.108 0.000 1.035 268 V CA -0.606 61.620 62.300 -0.122 0.000 0.889 268 V CB 2.078 33.816 31.823 -0.141 0.000 0.988 268 V HN 0.869 nan 8.190 nan 0.000 0.440 269 D N 3.909 124.256 120.400 -0.088 0.000 2.443 269 D HA 0.297 4.937 4.640 -0.000 0.000 0.221 269 D C 0.910 177.166 176.300 -0.074 0.000 1.097 269 D CA -0.233 53.722 54.000 -0.075 0.000 0.865 269 D CB 1.540 42.304 40.800 -0.060 0.000 1.034 269 D HN 0.434 nan 8.370 nan 0.000 0.511 270 L N 2.718 123.893 121.223 -0.080 0.000 2.191 270 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 270 L C 2.159 178.990 176.870 -0.065 0.000 1.103 270 L CA 0.937 55.731 54.840 -0.077 0.000 0.769 270 L CB 0.001 42.010 42.059 -0.084 0.000 0.908 270 L HN 0.440 nan 8.230 nan 0.000 0.438 271 E N -0.493 119.667 120.200 -0.067 0.000 2.086 271 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 271 E C 2.132 178.706 176.600 -0.044 0.000 0.975 271 E CA 0.586 56.950 56.400 -0.059 0.000 0.813 271 E CB 0.103 29.759 29.700 -0.074 0.000 0.768 271 E HN 0.559 nan 8.360 nan 0.000 0.457 272 Q N 0.420 120.193 119.800 -0.044 0.000 2.311 272 Q HA -0.010 4.330 4.340 -0.000 0.000 0.203 272 Q C -0.038 175.940 176.000 -0.036 0.000 0.954 272 Q CA 0.351 56.132 55.803 -0.035 0.000 0.885 272 Q CB 0.204 28.921 28.738 -0.036 0.000 0.963 272 Q HN 0.044 nan 8.270 nan 0.000 0.471 273 K N 1.183 121.556 120.400 -0.045 0.000 3.239 273 K HA -0.181 4.139 4.320 -0.000 0.000 0.270 273 K C -1.024 175.547 176.600 -0.049 0.000 1.049 273 K CA 0.793 57.051 56.287 -0.047 0.000 0.769 273 K CB -1.327 31.152 32.500 -0.035 0.000 1.305 273 K HN 0.377 nan 8.250 nan 0.000 0.469 274 K N -1.264 119.103 120.400 -0.056 0.000 2.579 274 K HA 0.455 4.775 4.320 -0.000 0.000 0.284 274 K C -0.504 176.057 176.600 -0.064 0.000 0.990 274 K CA -1.135 55.120 56.287 -0.054 0.000 0.880 274 K CB 1.205 33.682 32.500 -0.038 0.000 1.488 274 K HN -0.004 nan 8.250 nan 0.000 0.425 275 I N 2.607 123.140 120.570 -0.061 0.000 2.471 275 I HA -0.006 4.164 4.170 -0.000 0.000 0.286 275 I C 1.090 177.183 176.117 -0.041 0.000 1.079 275 I CA -0.465 60.800 61.300 -0.059 0.000 1.398 275 I CB 1.369 39.348 38.000 -0.035 0.000 1.403 275 I HN 0.609 nan 8.210 nan 0.000 0.530 276 V N 2.420 122.305 119.914 -0.049 0.000 3.643 276 V HA 0.337 4.457 4.120 -0.000 0.000 0.280 276 V C 0.372 176.444 176.094 -0.037 0.000 1.351 276 V CA 0.136 62.411 62.300 -0.041 0.000 1.073 276 V CB -0.368 31.427 31.823 -0.047 0.000 0.863 276 V HN 0.801 nan 8.190 nan 0.000 0.436 277 K N 0.474 120.851 120.400 -0.038 0.000 2.583 277 K HA 0.586 4.906 4.320 -0.000 0.000 0.260 277 K C -2.144 174.445 176.600 -0.019 0.000 0.931 277 K CA -0.643 55.624 56.287 -0.033 0.000 0.849 277 K CB 2.582 35.051 32.500 -0.052 0.000 1.347 277 K HN 0.240 nan 8.250 nan 0.000 0.425 278 I N 3.297 123.867 120.570 -0.002 0.000 2.418 278 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 278 I C -0.621 175.495 176.117 -0.001 0.000 1.008 278 I CA -0.678 60.634 61.300 0.021 0.000 1.104 278 I CB 2.035 40.062 38.000 0.045 0.000 1.264 278 I HN 0.508 nan 8.210 nan 0.000 0.438 279 E N 6.149 126.347 120.200 -0.003 0.000 2.151 279 E HA 0.422 4.771 4.350 -0.000 0.000 0.275 279 E C -1.096 175.502 176.600 -0.003 0.000 0.936 279 E CA -0.607 55.792 56.400 -0.002 0.000 0.777 279 E CB 1.766 31.469 29.700 0.005 0.000 1.108 279 E HN 0.480 nan 8.360 nan 0.000 0.401 280 E N 1.577 121.773 120.200 -0.007 0.000 2.218 280 E HA 0.428 4.778 4.350 -0.000 0.000 0.263 280 E C -0.380 176.220 176.600 -0.000 0.000 0.879 280 E CA -0.618 55.772 56.400 -0.016 0.000 0.762 280 E CB 2.030 31.709 29.700 -0.035 0.000 1.166 280 E HN 0.568 nan 8.360 nan 0.000 0.415 281 G N 2.724 111.530 108.800 0.010 0.000 2.795 281 G HA2 0.503 4.463 3.960 -0.000 0.000 0.267 281 G HA3 0.503 4.463 3.960 -0.000 0.000 0.267 281 G C -2.513 172.395 174.900 0.014 0.000 1.362 281 G CA -1.480 43.634 45.100 0.023 0.000 1.048 281 G HN 0.250 nan 8.290 nan 0.000 0.547 282 P HA 0.177 nan 4.420 nan 0.000 0.265 282 P C -0.197 177.112 177.300 0.015 0.000 1.187 282 P CA -0.255 62.855 63.100 0.018 0.000 0.766 282 P CB 0.771 32.487 31.700 0.026 0.000 0.820 283 V N 4.500 124.418 119.914 0.006 0.000 2.530 283 V HA 0.165 4.285 4.120 -0.000 0.000 0.282 283 V C 0.338 176.440 176.094 0.014 0.000 1.048 283 V CA 0.076 62.378 62.300 0.003 0.000 0.997 283 V CB 1.316 33.136 31.823 -0.006 0.000 0.987 283 V HN 0.221 nan 8.190 nan 0.000 0.477 284 V N 6.968 126.894 119.914 0.020 0.000 2.482 284 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 284 V C -2.362 173.754 176.094 0.036 0.000 1.026 284 V CA -1.808 60.511 62.300 0.032 0.000 0.856 284 V CB 1.872 33.721 31.823 0.045 0.000 1.001 284 V HN 0.773 nan 8.190 nan 0.000 0.424 285 P HA 0.040 nan 4.420 nan 0.000 0.262 285 P C -0.203 177.138 177.300 0.068 0.000 1.182 285 P CA 0.100 63.227 63.100 0.044 0.000 0.761 285 P CB 0.333 32.058 31.700 0.042 0.000 0.795 286 V N 6.636 126.598 119.914 0.079 0.000 2.529 286 V HA 0.042 4.162 4.120 -0.000 0.000 0.292 286 V C -1.805 174.387 176.094 0.163 0.000 1.028 286 V CA -1.061 61.312 62.300 0.123 0.000 1.074 286 V CB -0.161 31.735 31.823 0.123 0.000 0.958 286 V HN 0.564 nan 8.190 nan 0.000 0.481 287 P HA 0.107 nan 4.420 nan 0.000 0.261 287 P C 0.451 177.967 177.300 0.360 0.000 1.203 287 P CA 0.212 63.447 63.100 0.226 0.000 0.767 287 P CB 0.396 32.212 31.700 0.192 0.000 0.785 288 M N 0.348 120.119 119.600 0.285 0.000 2.516 288 M HA 0.050 4.529 4.480 -0.000 0.000 0.259 288 M C 0.479 176.950 176.300 0.285 0.000 1.146 288 M CA 0.656 56.115 55.300 0.265 0.000 1.122 288 M CB -0.980 31.696 32.600 0.125 0.000 1.341 288 M HN 0.142 nan 8.290 nan 0.000 0.478 289 T N 2.606 117.331 114.554 0.285 0.000 2.905 289 T HA 0.212 4.562 4.350 -0.000 0.000 0.299 289 T C 0.472 175.372 174.700 0.334 0.000 1.024 289 T CA -0.124 62.129 62.100 0.254 0.000 1.151 289 T CB 0.329 69.336 68.868 0.231 0.000 0.987 289 T HN 0.370 nan 8.240 nan 0.000 0.535 290 A N 4.566 127.518 122.820 0.220 0.000 2.524 290 A HA 0.296 4.615 4.320 -0.000 0.000 0.250 290 A C 0.806 178.486 177.584 0.161 0.000 1.078 290 A CA -0.051 52.101 52.037 0.193 0.000 0.761 290 A CB 0.136 19.191 19.000 0.092 0.000 1.012 290 A HN 0.685 nan 8.150 nan 0.000 0.500 291 R N 2.937 123.525 120.500 0.147 0.000 2.674 291 R HA 0.250 4.590 4.340 -0.000 0.000 0.270 291 R C -3.066 173.202 176.300 -0.053 0.000 1.492 291 R CA -1.564 54.546 56.100 0.017 0.000 1.624 291 R CB 0.855 31.139 30.300 -0.026 0.000 1.307 291 R HN 0.518 nan 8.270 nan 0.000 0.683 292 P HA 0.062 nan 4.420 nan 0.000 0.269 292 P C 0.243 177.442 177.300 -0.167 0.000 1.209 292 P CA -0.033 62.958 63.100 -0.182 0.000 0.776 292 P CB 0.294 31.889 31.700 -0.174 0.000 0.876 293 F N -0.301 119.571 119.950 -0.129 0.000 2.706 293 F HA 0.244 4.771 4.527 -0.000 0.000 0.313 293 F C 1.015 176.753 175.800 -0.103 0.000 1.096 293 F CA -0.377 57.532 58.000 -0.152 0.000 1.219 293 F CB -0.745 38.136 39.000 -0.197 0.000 1.051 293 F HN 0.105 nan 8.300 nan 0.000 0.568 294 D N 0.392 120.541 120.400 -0.418 0.000 2.336 294 D HA 0.175 4.815 4.640 -0.000 0.000 0.229 294 D C 1.865 178.104 176.300 -0.101 0.000 1.061 294 D CA 0.620 54.493 54.000 -0.212 0.000 0.875 294 D CB -0.142 40.453 40.800 -0.343 0.000 0.904 294 D HN 0.496 nan 8.370 nan 0.000 0.525 295 G N 1.726 110.478 108.800 -0.081 0.000 2.179 295 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.260 295 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.260 295 G C 1.245 176.111 174.900 -0.056 0.000 0.977 295 G CA 0.506 45.576 45.100 -0.050 0.000 0.641 295 G HN 0.588 nan 8.290 nan 0.000 0.533 296 R N 0.553 121.004 120.500 -0.081 0.000 2.127 296 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 296 R C 1.467 177.741 176.300 -0.044 0.000 1.134 296 R CA 2.022 58.083 56.100 -0.064 0.000 0.975 296 R CB -0.511 29.741 30.300 -0.080 0.000 0.865 296 R HN 0.442 nan 8.270 nan 0.000 0.447 297 D N -0.109 120.266 120.400 -0.042 0.000 2.368 297 D HA 0.099 4.739 4.640 -0.000 0.000 0.218 297 D C 0.012 176.301 176.300 -0.018 0.000 1.112 297 D CA -0.198 53.787 54.000 -0.025 0.000 0.834 297 D CB 0.216 41.003 40.800 -0.021 0.000 0.953 297 D HN 0.066 nan 8.370 nan 0.000 0.505 298 R N -0.315 120.172 120.500 -0.021 0.000 2.867 298 R HA 0.685 5.025 4.340 -0.000 0.000 0.268 298 R C -1.089 175.205 176.300 -0.010 0.000 1.014 298 R CA -1.014 55.078 56.100 -0.013 0.000 0.946 298 R CB 2.387 32.678 30.300 -0.014 0.000 1.208 298 R HN -0.136 nan 8.270 nan 0.000 0.477 299 V N 1.047 120.957 119.914 -0.006 0.000 2.482 299 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 299 V C -0.040 176.053 176.094 -0.003 0.000 1.026 299 V CA -1.028 61.269 62.300 -0.004 0.000 0.856 299 V CB 1.601 33.423 31.823 -0.002 0.000 1.001 299 V HN 0.927 nan 8.190 nan 0.000 0.424 300 A N 6.459 129.277 122.820 -0.003 0.000 2.371 300 A HA 0.770 5.090 4.320 -0.000 0.000 0.257 300 A C -2.150 175.434 177.584 0.000 0.000 1.089 300 A CA -0.955 51.081 52.037 -0.002 0.000 0.794 300 A CB -0.202 18.797 19.000 -0.002 0.000 1.029 300 A HN 0.715 nan 8.150 nan 0.000 0.488 301 P HA 0.410 nan 4.420 nan 0.000 0.271 301 P C -0.200 177.102 177.300 0.002 0.000 1.216 301 P CA -0.020 63.081 63.100 0.002 0.000 0.776 301 P CB 0.786 32.488 31.700 0.003 0.000 0.881 302 A N 2.678 125.499 122.820 0.002 0.000 2.462 302 A HA 0.387 4.707 4.320 -0.000 0.000 0.243 302 A C -0.136 177.450 177.584 0.002 0.000 1.076 302 A CA -0.011 52.028 52.037 0.002 0.000 0.773 302 A CB 0.008 19.010 19.000 0.003 0.000 1.010 302 A HN 0.398 nan 8.150 nan 0.000 0.493 303 V N 3.204 123.119 119.914 0.002 0.000 2.588 303 V HA 0.310 4.430 4.120 -0.000 0.000 0.304 303 V C -0.060 176.035 176.094 0.002 0.000 1.042 303 V CA -1.037 61.264 62.300 0.001 0.000 0.877 303 V CB 1.816 33.640 31.823 0.001 0.000 0.996 303 V HN 0.927 nan 8.190 nan 0.000 0.425 304 K N 5.135 125.536 120.400 0.001 0.000 2.319 304 K HA 0.372 4.691 4.320 -0.000 0.000 0.265 304 K C -2.092 174.510 176.600 0.002 0.000 1.000 304 K CA -1.477 54.810 56.287 0.000 0.000 0.943 304 K CB 0.177 32.676 32.500 -0.003 0.000 0.950 304 K HN 0.489 nan 8.250 nan 0.000 0.485 305 P HA 0.108 nan 4.420 nan 0.000 0.271 305 P C -0.805 176.499 177.300 0.007 0.000 1.218 305 P CA -0.170 62.935 63.100 0.009 0.000 0.780 305 P CB 0.686 32.394 31.700 0.013 0.000 0.901 306 M N 1.912 121.518 119.600 0.009 0.000 2.324 306 M HA 0.292 4.772 4.480 -0.000 0.000 0.288 306 M C -1.669 174.642 176.300 0.017 0.000 1.097 306 M CA -0.341 54.964 55.300 0.008 0.000 0.928 306 M CB 2.340 34.941 32.600 0.002 0.000 1.648 306 M HN 0.346 nan 8.290 nan 0.000 0.460 307 Q N 4.338 124.153 119.800 0.026 0.000 2.389 307 Q HA 0.619 4.959 4.340 -0.000 0.000 0.277 307 Q C -1.457 174.571 176.000 0.046 0.000 1.082 307 Q CA -0.817 55.014 55.803 0.045 0.000 0.810 307 Q CB 3.420 32.200 28.738 0.071 0.000 1.374 307 Q HN 0.745 nan 8.270 nan 0.000 0.422 308 I N 3.539 124.143 120.570 0.057 0.000 2.390 308 I HA 0.386 4.556 4.170 -0.000 0.000 0.283 308 I C -0.351 175.818 176.117 0.086 0.000 1.016 308 I CA -0.569 60.765 61.300 0.056 0.000 1.151 308 I CB 0.688 38.719 38.000 0.052 0.000 1.293 308 I HN 0.479 nan 8.210 nan 0.000 0.458 309 I N 2.319 122.929 120.570 0.068 0.000 2.648 309 I HA 0.605 4.775 4.170 -0.000 0.000 0.304 309 I C -0.528 175.557 176.117 -0.053 0.000 1.009 309 I CA -0.472 60.869 61.300 0.068 0.000 1.114 309 I CB 1.928 39.969 38.000 0.068 0.000 1.293 309 I HN 0.462 nan 8.210 nan 0.000 0.449 310 E N 5.224 125.357 120.200 -0.112 0.000 2.914 310 E HA 0.241 4.591 4.350 -0.000 0.000 0.246 310 E C -2.103 174.305 176.600 -0.320 0.000 1.146 310 E CA -1.541 54.778 56.400 -0.135 0.000 0.803 310 E CB 1.435 31.129 29.700 -0.011 0.000 1.409 310 E HN 0.554 nan 8.360 nan 0.000 0.392 311 P HA -0.144 nan 4.420 nan 0.000 0.222 311 P C 0.443 177.576 177.300 -0.278 0.000 1.147 311 P CA 1.073 63.671 63.100 -0.836 0.000 0.790 311 P CB 0.393 31.616 31.700 -0.796 0.000 0.780 312 E N -0.581 119.517 120.200 -0.170 0.000 2.501 312 E HA 0.355 4.705 4.350 -0.000 0.000 0.200 312 E C 0.810 177.382 176.600 -0.047 0.000 1.016 312 E CA -0.056 56.300 56.400 -0.073 0.000 0.921 312 E CB 0.208 29.871 29.700 -0.062 0.000 1.034 312 E HN 0.179 nan 8.360 nan 0.000 0.468 313 G N 1.437 110.211 108.800 -0.044 0.000 2.627 313 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 313 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 313 G C -0.831 174.013 174.900 -0.094 0.000 1.331 313 G CA -0.942 44.139 45.100 -0.033 0.000 0.891 313 G HN -0.030 nan 8.290 nan 0.000 0.539 314 K N 0.183 120.465 120.400 -0.196 0.000 2.087 314 K HA 0.391 4.711 4.320 -0.000 0.000 0.255 314 K C 1.150 177.587 176.600 -0.271 0.000 0.988 314 K CA -0.542 55.517 56.287 -0.380 0.000 0.915 314 K CB 0.730 32.650 32.500 -0.966 0.000 1.043 314 K HN 0.559 nan 8.250 nan 0.000 0.457 315 N N -0.115 118.497 118.700 -0.147 0.000 2.422 315 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 315 N C -0.438 175.163 175.510 0.152 0.000 1.080 315 N CA 0.236 53.315 53.050 0.049 0.000 0.893 315 N CB -0.024 38.574 38.487 0.184 0.000 0.973 315 N HN 0.486 nan 8.380 nan 0.000 0.456 316 Y N -1.510 118.931 120.300 0.236 0.000 2.453 316 Y HA 0.701 5.251 4.550 -0.000 0.000 0.326 316 Y C -0.007 175.911 175.900 0.029 0.000 1.186 316 Y CA -1.116 57.086 58.100 0.170 0.000 1.200 316 Y CB 0.739 39.249 38.460 0.084 0.000 1.247 316 Y HN -0.346 nan 8.280 nan 0.000 0.482 317 T N 3.355 118.022 114.554 0.187 0.000 2.863 317 T HA 0.588 4.938 4.350 -0.000 0.000 0.285 317 T C -0.807 173.886 174.700 -0.013 0.000 1.009 317 T CA -0.656 61.470 62.100 0.044 0.000 0.989 317 T CB 0.933 69.851 68.868 0.083 0.000 1.004 317 T HN 0.590 nan 8.240 nan 0.000 0.455 318 I N 2.752 123.232 120.570 -0.151 0.000 2.382 318 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 318 I C -0.168 175.940 176.117 -0.015 0.000 1.007 318 I CA -0.570 60.632 61.300 -0.164 0.000 1.142 318 I CB 1.672 39.437 38.000 -0.392 0.000 1.289 318 I HN 0.503 nan 8.210 nan 0.000 0.453 319 T N 5.101 119.662 114.554 0.011 0.000 2.893 319 T HA 0.534 4.884 4.350 -0.000 0.000 0.324 319 T C 0.755 175.498 174.700 0.072 0.000 1.082 319 T CA 0.181 62.322 62.100 0.068 0.000 0.983 319 T CB 1.386 70.290 68.868 0.059 0.000 1.005 319 T HN 1.043 nan 8.240 nan 0.000 0.475 320 G N 4.012 112.872 108.800 0.101 0.000 2.601 320 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.306 320 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.306 320 G C 0.322 175.231 174.900 0.014 0.000 1.172 320 G CA 0.462 45.605 45.100 0.072 0.000 0.966 320 G HN 0.633 nan 8.290 nan 0.000 0.542 321 D N 1.021 121.368 120.400 -0.088 0.000 2.431 321 D HA 0.242 4.882 4.640 -0.000 0.000 0.213 321 D C 0.901 176.975 176.300 -0.376 0.000 1.130 321 D CA -0.011 53.815 54.000 -0.291 0.000 0.834 321 D CB 0.329 40.784 40.800 -0.575 0.000 0.985 321 D HN 0.324 nan 8.370 nan 0.000 0.504 322 M N 1.476 120.970 119.600 -0.176 0.000 2.120 322 M HA 0.285 4.764 4.480 -0.000 0.000 0.354 322 M C -0.171 175.986 176.300 -0.238 0.000 1.287 322 M CA 0.127 55.330 55.300 -0.162 0.000 1.103 322 M CB 1.474 34.099 32.600 0.042 0.000 1.623 322 M HN -0.268 nan 8.290 nan 0.000 0.471 323 I N 3.297 123.571 120.570 -0.492 0.000 2.377 323 I HA 0.282 4.452 4.170 -0.000 0.000 0.293 323 I C -0.151 175.741 176.117 -0.375 0.000 0.987 323 I CA -0.610 60.359 61.300 -0.551 0.000 1.185 323 I CB 1.062 38.429 38.000 -1.056 0.000 1.341 323 I HN 0.610 nan 8.210 nan 0.000 0.455 324 H N 6.386 125.358 119.070 -0.163 0.000 2.505 324 H HA 0.283 4.838 4.556 -0.000 0.000 0.338 324 H C -2.111 173.325 175.328 0.179 0.000 1.057 324 H CA -0.644 55.401 56.048 -0.005 0.000 1.202 324 H CB 1.775 31.541 29.762 0.006 0.000 1.466 324 H HN 0.740 nan 8.280 nan 0.000 0.499 325 W N 8.898 129.835 121.300 -0.605 0.000 3.089 325 W HA 0.281 4.940 4.660 -0.000 0.000 0.333 325 W C -0.487 175.869 176.519 -0.272 0.000 1.053 325 W CA -0.505 56.647 57.345 -0.322 0.000 1.257 325 W CB 0.495 29.933 29.460 -0.036 0.000 1.281 325 W HN 0.904 nan 8.180 nan 0.000 0.427 326 R N 2.722 122.746 120.500 -0.793 0.000 3.869 326 R HA -0.382 3.958 4.340 -0.000 0.000 0.424 326 R C 0.535 176.546 176.300 -0.482 0.000 0.241 326 R CA 2.072 57.760 56.100 -0.688 0.000 1.351 326 R CB -1.296 28.404 30.300 -1.000 0.000 0.979 326 R HN 0.765 nan 8.270 nan 0.000 0.572 327 N N -0.170 118.197 118.700 -0.555 0.000 2.336 327 N HA 0.078 4.818 4.740 -0.000 0.000 0.189 327 N C -0.172 174.950 175.510 -0.647 0.000 1.113 327 N CA -0.062 52.566 53.050 -0.703 0.000 0.858 327 N CB 0.118 37.825 38.487 -1.301 0.000 0.970 327 N HN 0.199 nan 8.380 nan 0.000 0.471 328 W N 1.232 122.403 121.300 -0.213 0.000 2.375 328 W HA 0.381 5.041 4.660 -0.000 0.000 0.336 328 W C -0.121 176.439 176.519 0.068 0.000 1.160 328 W CA -0.533 56.834 57.345 0.037 0.000 1.266 328 W CB 0.961 30.553 29.460 0.221 0.000 1.195 328 W HN -0.184 nan 8.180 nan 0.000 0.599 329 D N 2.110 122.801 120.400 0.485 0.000 2.964 329 D HA 0.419 5.059 4.640 -0.000 0.000 0.234 329 D C -1.128 175.399 176.300 0.377 0.000 1.223 329 D CA -0.319 53.867 54.000 0.309 0.000 0.889 329 D CB 2.253 43.225 40.800 0.286 0.000 1.609 329 D HN 0.240 nan 8.370 nan 0.000 0.523 330 F N -1.052 118.941 119.950 0.071 0.000 2.741 330 F HA 0.417 4.944 4.527 -0.000 0.000 0.313 330 F C -1.470 174.310 175.800 -0.035 0.000 1.153 330 F CA -1.009 57.002 58.000 0.017 0.000 0.931 330 F CB 1.734 40.687 39.000 -0.078 0.000 1.335 330 F HN 0.186 nan 8.300 nan 0.000 0.460 331 H N 2.008 121.051 119.070 -0.044 0.000 2.489 331 H HA 0.665 5.221 4.556 -0.000 0.000 0.343 331 H C -2.020 173.217 175.328 -0.152 0.000 1.086 331 H CA -0.776 55.106 56.048 -0.276 0.000 1.198 331 H CB 2.169 31.595 29.762 -0.559 0.000 1.490 331 H HN 0.823 nan 8.280 nan 0.000 0.504 332 L N 5.025 125.928 121.223 -0.533 0.000 2.325 332 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 332 L C -0.813 175.779 176.870 -0.463 0.000 1.004 332 L CA -0.159 54.478 54.840 -0.338 0.000 0.823 332 L CB 1.231 43.177 42.059 -0.188 0.000 1.236 332 L HN 0.685 nan 8.230 nan 0.000 0.415 333 S N 4.418 119.927 115.700 -0.319 0.000 2.661 333 S HA 0.867 5.337 4.470 -0.000 0.000 0.285 333 S C -0.746 173.723 174.600 -0.218 0.000 1.138 333 S CA -0.895 57.163 58.200 -0.237 0.000 0.855 333 S CB 1.719 64.862 63.200 -0.095 0.000 1.136 333 S HN 0.709 nan 8.310 nan 0.000 0.484 334 M N 2.523 122.023 119.600 -0.167 0.000 2.465 334 M HA 0.534 5.013 4.480 -0.000 0.000 0.316 334 M C -1.244 174.977 176.300 -0.132 0.000 1.121 334 M CA -0.450 54.737 55.300 -0.189 0.000 0.934 334 M CB 1.899 34.418 32.600 -0.135 0.000 1.692 334 M HN 0.877 nan 8.290 nan 0.000 0.444 335 N N 1.305 119.915 118.700 -0.150 0.000 2.284 335 N HA 0.288 5.028 4.740 -0.000 0.000 0.300 335 N C 0.036 175.522 175.510 -0.039 0.000 1.047 335 N CA 0.150 53.153 53.050 -0.078 0.000 0.821 335 N CB 1.765 40.206 38.487 -0.076 0.000 1.337 335 N HN 0.892 nan 8.380 nan 0.000 0.482 336 S N 3.254 118.963 115.700 0.015 0.000 2.423 336 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 336 S C 1.719 176.368 174.600 0.081 0.000 1.014 336 S CA 0.652 58.889 58.200 0.062 0.000 0.965 336 S CB 0.020 63.267 63.200 0.077 0.000 0.785 336 S HN 0.720 nan 8.310 nan 0.000 0.495 337 R N 1.032 121.562 120.500 0.051 0.000 2.052 337 R HA 0.065 4.405 4.340 -0.000 0.000 0.224 337 R C 2.060 178.403 176.300 0.071 0.000 1.149 337 R CA 1.589 57.715 56.100 0.042 0.000 0.962 337 R CB -0.199 30.075 30.300 -0.044 0.000 0.856 337 R HN 0.465 nan 8.270 nan 0.000 0.433 338 V N -1.726 118.208 119.914 0.034 0.000 3.621 338 V HA 0.438 4.558 4.120 -0.000 0.000 0.285 338 V C 0.798 176.733 176.094 -0.265 0.000 1.346 338 V CA 0.354 62.650 62.300 -0.007 0.000 1.104 338 V CB -0.182 31.657 31.823 0.027 0.000 0.913 338 V HN 0.674 nan 8.190 nan 0.000 0.432 339 G N 1.428 110.008 108.800 -0.366 0.000 2.498 339 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.251 339 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.251 339 G C -2.544 171.864 174.900 -0.819 0.000 1.170 339 G CA -0.119 44.387 45.100 -0.990 0.000 0.944 339 G HN 0.631 nan 8.290 nan 0.000 0.567 340 P HA 0.407 nan 4.420 nan 0.000 0.276 340 P C -0.451 176.515 177.300 -0.557 0.000 1.230 340 P CA 0.335 63.042 63.100 -0.655 0.000 0.776 340 P CB 0.668 32.007 31.700 -0.601 0.000 0.888 341 M N 3.303 122.631 119.600 -0.453 0.000 2.243 341 M HA 0.345 4.825 4.480 -0.000 0.000 0.324 341 M C -0.569 175.477 176.300 -0.423 0.000 1.031 341 M CA -0.878 54.172 55.300 -0.417 0.000 0.949 341 M CB 1.515 33.949 32.600 -0.276 0.000 1.615 341 M HN 0.130 nan 8.290 nan 0.000 0.430 342 I N 2.659 122.909 120.570 -0.534 0.000 2.328 342 I HA 0.374 4.544 4.170 -0.000 0.000 0.287 342 I C -0.196 175.760 176.117 -0.268 0.000 1.012 342 I CA 0.096 61.154 61.300 -0.402 0.000 1.195 342 I CB 1.116 38.743 38.000 -0.622 0.000 1.350 342 I HN 0.560 nan 8.210 nan 0.000 0.464 343 S N 2.305 117.921 115.700 -0.140 0.000 2.709 343 S HA 0.602 5.072 4.470 -0.000 0.000 0.302 343 S C -0.090 174.408 174.600 -0.169 0.000 1.127 343 S CA -0.571 57.470 58.200 -0.265 0.000 0.905 343 S CB 1.706 64.666 63.200 -0.400 0.000 1.151 343 S HN 0.800 nan 8.310 nan 0.000 0.510 344 T N -1.459 112.830 114.554 -0.440 0.000 3.549 344 T HA -0.154 4.196 4.350 -0.000 0.000 0.398 344 T C -0.136 174.673 174.700 0.180 0.000 0.766 344 T CA 0.079 61.946 62.100 -0.388 0.000 2.007 344 T CB -2.522 66.228 68.868 -0.197 0.000 1.727 344 T HN 0.496 nan 8.240 nan 0.000 0.693 345 V N 2.582 122.684 119.914 0.315 0.000 2.432 345 V HA 0.646 4.766 4.120 -0.000 0.000 0.271 345 V C 1.135 177.611 176.094 0.637 0.000 1.046 345 V CA 0.159 62.759 62.300 0.500 0.000 0.945 345 V CB 1.010 33.086 31.823 0.422 0.000 0.992 345 V HN 1.010 nan 8.190 nan 0.000 0.471 346 T N 2.051 116.970 114.554 0.609 0.000 2.916 346 T HA 0.654 5.004 4.350 -0.000 0.000 0.292 346 T C -1.179 173.773 174.700 0.420 0.000 1.055 346 T CA -0.768 61.625 62.100 0.488 0.000 1.009 346 T CB 1.945 71.043 68.868 0.383 0.000 1.118 346 T HN 0.411 nan 8.240 nan 0.000 0.497 347 Y N 1.410 121.803 120.300 0.155 0.000 2.328 347 Y HA 0.476 5.026 4.550 -0.000 0.000 0.336 347 Y C -0.040 175.894 175.900 0.057 0.000 0.960 347 Y CA -1.147 56.908 58.100 -0.076 0.000 1.134 347 Y CB 1.492 39.827 38.460 -0.208 0.000 1.166 347 Y HN 0.919 nan 8.280 nan 0.000 0.464 348 N N 4.864 123.440 118.700 -0.207 0.000 2.482 348 N HA 0.014 4.754 4.740 -0.000 0.000 0.242 348 N C -1.316 174.240 175.510 0.077 0.000 1.100 348 N CA -0.315 52.716 53.050 -0.032 0.000 0.946 348 N CB 0.139 38.575 38.487 -0.085 0.000 1.227 348 N HN 0.576 nan 8.380 nan 0.000 0.508 349 D N 3.418 123.994 120.400 0.293 0.000 2.411 349 D HA 0.104 4.744 4.640 -0.000 0.000 0.225 349 D C -0.412 175.989 176.300 0.168 0.000 1.156 349 D CA -0.022 54.195 54.000 0.361 0.000 0.874 349 D CB -0.385 40.642 40.800 0.379 0.000 1.034 349 D HN 0.676 nan 8.370 nan 0.000 0.502 350 N N 3.096 121.870 118.700 0.123 0.000 2.716 350 N HA -0.254 4.486 4.740 -0.000 0.000 0.250 350 N C 0.877 176.411 175.510 0.039 0.000 1.033 350 N CA 0.514 53.600 53.050 0.061 0.000 0.727 350 N CB -0.790 37.731 38.487 0.057 0.000 0.950 350 N HN 0.718 nan 8.380 nan 0.000 0.541 351 G N -2.236 106.583 108.800 0.032 0.000 2.213 351 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.236 351 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.236 351 G C 0.089 175.004 174.900 0.025 0.000 0.991 351 G CA 0.407 45.518 45.100 0.019 0.000 0.629 351 G HN 0.404 nan 8.290 nan 0.000 0.517 352 T N 1.723 116.302 114.554 0.043 0.000 2.786 352 T HA 0.518 4.868 4.350 -0.000 0.000 0.283 352 T C -0.015 174.725 174.700 0.067 0.000 0.992 352 T CA -0.532 61.590 62.100 0.037 0.000 0.954 352 T CB 1.750 70.631 68.868 0.022 0.000 0.934 352 T HN 0.278 nan 8.240 nan 0.000 0.440 353 K N 3.483 123.920 120.400 0.061 0.000 2.383 353 K HA 0.277 4.597 4.320 -0.000 0.000 0.286 353 K C 0.213 176.867 176.600 0.090 0.000 1.051 353 K CA -0.038 56.307 56.287 0.097 0.000 0.974 353 K CB 0.714 33.276 32.500 0.104 0.000 0.968 353 K HN 0.382 nan 8.250 nan 0.000 0.475 354 R N 2.668 123.263 120.500 0.159 0.000 2.589 354 R HA 0.247 4.587 4.340 -0.000 0.000 0.293 354 R C -0.438 175.965 176.300 0.171 0.000 0.963 354 R CA -0.926 55.247 56.100 0.122 0.000 0.905 354 R CB 1.692 32.087 30.300 0.157 0.000 1.144 354 R HN 0.379 nan 8.270 nan 0.000 0.459 355 K N 0.873 121.274 120.400 0.003 0.000 2.382 355 K HA 0.091 4.411 4.320 -0.000 0.000 0.275 355 K C 0.210 176.919 176.600 0.183 0.000 1.009 355 K CA -0.198 56.057 56.287 -0.053 0.000 0.970 355 K CB 0.971 33.191 32.500 -0.467 0.000 0.934 355 K HN 0.283 nan 8.250 nan 0.000 0.479 356 V N 1.616 121.679 119.914 0.248 0.000 3.161 356 V HA 0.160 4.280 4.120 -0.000 0.000 0.221 356 V C -0.157 175.994 176.094 0.096 0.000 1.296 356 V CA 0.018 62.362 62.300 0.073 0.000 1.306 356 V CB 0.430 32.307 31.823 0.091 0.000 1.171 356 V HN 0.749 nan 8.190 nan 0.000 0.513 357 M N -1.138 118.629 119.600 0.278 0.000 2.271 357 M HA 0.372 4.852 4.480 -0.000 0.000 0.285 357 M C -0.125 176.366 176.300 0.318 0.000 1.059 357 M CA -0.582 54.858 55.300 0.233 0.000 0.940 357 M CB 2.264 34.910 32.600 0.077 0.000 1.636 357 M HN 0.311 nan 8.290 nan 0.000 0.460 358 Y N 3.860 124.265 120.300 0.175 0.000 2.206 358 Y HA 0.232 4.782 4.550 -0.000 0.000 0.292 358 Y C -0.386 175.380 175.900 -0.224 0.000 1.123 358 Y CA 1.533 59.532 58.100 -0.167 0.000 1.142 358 Y CB 0.600 38.966 38.460 -0.158 0.000 1.006 358 Y HN 0.644 nan 8.280 nan 0.000 0.518 359 E N -1.358 118.701 120.200 -0.234 0.000 2.363 359 E HA 0.533 4.882 4.350 -0.000 0.000 0.281 359 E C -1.268 175.216 176.600 -0.193 0.000 0.953 359 E CA -0.357 55.842 56.400 -0.335 0.000 0.778 359 E CB 1.870 31.373 29.700 -0.329 0.000 1.220 359 E HN 0.247 nan 8.360 nan 0.000 0.431 360 G N 0.674 109.325 108.800 -0.248 0.000 2.682 360 G HA2 0.680 4.640 3.960 -0.000 0.000 0.300 360 G HA3 0.680 4.640 3.960 -0.000 0.000 0.300 360 G C -0.955 173.759 174.900 -0.310 0.000 1.391 360 G CA -0.336 44.668 45.100 -0.161 0.000 0.990 360 G HN 0.550 nan 8.290 nan 0.000 0.501 361 S N 0.359 116.064 115.700 0.009 0.000 2.643 361 S HA 0.605 5.075 4.470 -0.000 0.000 0.266 361 S C -1.261 173.573 174.600 0.389 0.000 1.130 361 S CA -0.821 57.385 58.200 0.011 0.000 0.817 361 S CB 1.070 64.175 63.200 -0.159 0.000 1.107 361 S HN 1.604 nan 8.310 nan 0.000 0.471 362 L N 1.934 123.346 121.223 0.316 0.000 2.456 362 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 362 L C 1.238 178.143 176.870 0.059 0.000 1.189 362 L CA 1.273 56.216 54.840 0.172 0.000 0.846 362 L CB 0.358 42.367 42.059 -0.083 0.000 1.111 362 L HN 1.018 nan 8.230 nan 0.000 0.475 363 G N 2.684 111.488 108.800 0.007 0.000 2.508 363 G HA2 0.476 4.436 3.960 -0.000 0.000 0.212 363 G HA3 0.476 4.436 3.960 -0.000 0.000 0.212 363 G C 0.342 175.278 174.900 0.060 0.000 1.206 363 G CA 0.477 45.622 45.100 0.074 0.000 0.822 363 G HN 1.117 nan 8.290 nan 0.000 0.550 364 G N -1.174 107.562 108.800 -0.107 0.000 2.506 364 G HA2 0.581 4.541 3.960 -0.000 0.000 0.292 364 G HA3 0.581 4.541 3.960 -0.000 0.000 0.292 364 G C -1.098 173.717 174.900 -0.143 0.000 1.425 364 G CA -0.307 44.719 45.100 -0.123 0.000 0.788 364 G HN 0.861 nan 8.290 nan 0.000 0.490 365 M N -0.746 118.838 119.600 -0.026 0.000 2.578 365 M HA 0.893 5.373 4.480 -0.000 0.000 0.276 365 M C -1.839 174.512 176.300 0.085 0.000 1.245 365 M CA -1.037 54.281 55.300 0.031 0.000 0.871 365 M CB 2.668 35.263 32.600 -0.007 0.000 1.722 365 M HN 0.779 nan 8.290 nan 0.000 0.473 366 I N 1.254 121.853 120.570 0.049 0.000 2.827 366 I HA 0.678 4.848 4.170 -0.000 0.000 0.298 366 I C -1.841 174.245 176.117 -0.052 0.000 1.235 366 I CA -0.916 60.415 61.300 0.051 0.000 1.021 366 I CB 2.632 40.685 38.000 0.088 0.000 1.259 366 I HN 0.656 nan 8.210 nan 0.000 0.427 367 V N 7.988 127.904 119.914 0.004 0.000 2.315 367 V HA 0.389 4.508 4.120 -0.000 0.000 0.265 367 V C -2.395 173.703 176.094 0.007 0.000 1.019 367 V CA -1.102 61.144 62.300 -0.089 0.000 0.824 367 V CB 1.068 32.835 31.823 -0.093 0.000 1.072 367 V HN 0.528 nan 8.190 nan 0.000 0.448 368 P HA 0.392 nan 4.420 nan 0.000 0.290 368 P C -1.186 176.212 177.300 0.165 0.000 1.276 368 P CA -0.343 62.878 63.100 0.203 0.000 0.808 368 P CB 1.375 33.212 31.700 0.229 0.000 0.966 369 Y N 0.535 121.015 120.300 0.300 0.000 2.374 369 Y HA 0.511 5.060 4.550 -0.000 0.000 0.322 369 Y C 1.886 177.875 175.900 0.148 0.000 1.275 369 Y CA 0.295 58.543 58.100 0.247 0.000 1.307 369 Y CB 1.012 39.643 38.460 0.285 0.000 1.282 369 Y HN 0.483 nan 8.280 nan 0.000 0.509 370 G N 0.080 108.971 108.800 0.152 0.000 3.774 370 G HA2 0.028 3.988 3.960 -0.000 0.000 0.287 370 G HA3 0.028 3.988 3.960 -0.000 0.000 0.287 370 G C -0.731 174.084 174.900 -0.141 0.000 1.030 370 G CA -0.128 44.941 45.100 -0.052 0.000 0.824 370 G HN 0.501 nan 8.290 nan 0.000 0.518 371 D N 0.912 121.223 120.400 -0.148 0.000 2.177 371 D HA 0.290 4.930 4.640 -0.000 0.000 0.247 371 D C -1.610 174.536 176.300 -0.257 0.000 1.063 371 D CA -1.807 51.899 54.000 -0.491 0.000 0.867 371 D CB 3.186 43.704 40.800 -0.470 0.000 1.168 371 D HN 0.007 nan 8.370 nan 0.000 0.445 372 P HA 0.099 nan 4.420 nan 0.000 0.252 372 P C -0.159 177.178 177.300 0.062 0.000 1.218 372 P CA -0.135 62.912 63.100 -0.089 0.000 0.807 372 P CB 0.632 32.231 31.700 -0.169 0.000 1.072 373 D N 0.142 120.568 120.400 0.043 0.000 2.341 373 D HA -0.070 4.570 4.640 -0.000 0.000 0.235 373 D C 1.577 178.082 176.300 0.341 0.000 1.265 373 D CA -0.144 53.960 54.000 0.172 0.000 0.888 373 D CB 0.452 41.348 40.800 0.161 0.000 1.192 373 D HN -0.161 nan 8.370 nan 0.000 0.462 374 I N 0.935 121.686 120.570 0.302 0.000 2.194 374 I HA -0.142 4.028 4.170 -0.000 0.000 0.246 374 I C 2.063 178.346 176.117 0.277 0.000 1.093 374 I CA 1.726 63.224 61.300 0.329 0.000 1.355 374 I CB -0.591 37.523 38.000 0.190 0.000 1.046 374 I HN 0.502 nan 8.210 nan 0.000 0.413 375 G N -2.604 106.302 108.800 0.176 0.000 3.233 375 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.227 375 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.227 375 G C 0.674 175.209 174.900 -0.608 0.000 1.175 375 G CA -0.020 45.018 45.100 -0.103 0.000 0.781 375 G HN 0.496 nan 8.290 nan 0.000 0.542 376 W N -1.679 119.479 121.300 -0.236 0.000 3.336 376 W HA 0.171 4.831 4.660 -0.000 0.000 0.221 376 W C 2.001 178.262 176.519 -0.429 0.000 1.086 376 W CA -0.257 56.834 57.345 -0.424 0.000 1.457 376 W CB -0.267 29.070 29.460 -0.204 0.000 0.756 376 W HN 0.202 nan 8.180 nan 0.000 0.783 377 Y N 1.029 121.349 120.300 0.032 0.000 2.228 377 Y HA -0.292 4.257 4.550 -0.000 0.000 0.285 377 Y C 1.519 177.504 175.900 0.141 0.000 1.178 377 Y CA 1.586 59.730 58.100 0.074 0.000 1.202 377 Y CB -1.734 36.750 38.460 0.041 0.000 0.974 377 Y HN 0.075 nan 8.280 nan 0.000 0.527 378 F N -0.168 119.510 119.950 -0.453 0.000 2.664 378 F HA 0.431 4.958 4.527 -0.000 0.000 0.303 378 F C 0.691 176.510 175.800 0.032 0.000 1.092 378 F CA -1.439 56.530 58.000 -0.051 0.000 1.305 378 F CB -0.484 38.279 39.000 -0.395 0.000 1.054 378 F HN -0.197 nan 8.300 nan 0.000 0.565 379 K N 2.462 122.405 120.400 -0.762 0.000 2.363 379 K HA 0.529 4.849 4.320 -0.000 0.000 0.289 379 K C -0.785 175.847 176.600 0.054 0.000 1.063 379 K CA 0.182 56.168 56.287 -0.501 0.000 0.967 379 K CB 0.094 32.188 32.500 -0.676 0.000 0.987 379 K HN 0.400 nan 8.250 nan 0.000 0.473 380 A N 5.452 128.303 122.820 0.051 0.000 2.541 380 A HA 0.208 4.528 4.320 -0.000 0.000 0.285 380 A C -1.893 175.776 177.584 0.142 0.000 1.058 380 A CA -0.680 51.461 52.037 0.174 0.000 0.886 380 A CB 0.311 19.387 19.000 0.127 0.000 1.411 380 A HN 0.662 nan 8.150 nan 0.000 0.403 381 Y N 1.928 122.337 120.300 0.181 0.000 2.436 381 Y HA 0.354 4.904 4.550 -0.000 0.000 0.343 381 Y C 0.548 176.541 175.900 0.155 0.000 1.008 381 Y CA 0.194 58.406 58.100 0.187 0.000 1.241 381 Y CB 1.155 39.688 38.460 0.123 0.000 1.153 381 Y HN 0.600 nan 8.280 nan 0.000 0.521 382 L N 4.848 126.268 121.223 0.328 0.000 2.449 382 L HA 0.267 4.607 4.340 -0.000 0.000 0.255 382 L C 1.283 178.331 176.870 0.297 0.000 1.167 382 L CA -0.305 54.667 54.840 0.221 0.000 1.090 382 L CB 0.195 42.341 42.059 0.144 0.000 1.385 382 L HN 0.944 nan 8.230 nan 0.000 0.411 383 A N 1.533 124.512 122.820 0.264 0.000 1.881 383 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 383 A C 2.359 180.112 177.584 0.282 0.000 1.215 383 A CA 2.645 54.848 52.037 0.277 0.000 0.648 383 A CB -0.539 18.544 19.000 0.140 0.000 0.832 383 A HN 0.709 nan 8.150 nan 0.000 0.455 384 S N -0.856 114.951 115.700 0.179 0.000 2.348 384 S HA 0.101 4.570 4.470 -0.000 0.000 0.219 384 S C 2.134 176.770 174.600 0.060 0.000 1.033 384 S CA 1.208 59.493 58.200 0.142 0.000 0.974 384 S CB -1.361 61.898 63.200 0.098 0.000 0.868 384 S HN 0.805 nan 8.310 nan 0.000 0.459 385 G N 1.782 110.574 108.800 -0.013 0.000 2.421 385 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 385 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 385 G C 1.068 175.931 174.900 -0.061 0.000 1.171 385 G CA 1.138 46.166 45.100 -0.121 0.000 0.775 385 G HN 0.498 nan 8.290 nan 0.000 0.543 386 D N -1.358 119.053 120.400 0.018 0.000 2.346 386 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 386 D C 1.160 177.317 176.300 -0.237 0.000 1.001 386 D CA 0.437 54.367 54.000 -0.117 0.000 0.871 386 D CB 0.204 40.910 40.800 -0.158 0.000 0.943 386 D HN 0.469 nan 8.370 nan 0.000 0.518 387 Y N -0.406 119.975 120.300 0.136 0.000 2.432 387 Y HA 0.335 4.885 4.550 -0.000 0.000 0.252 387 Y C 1.020 177.019 175.900 0.164 0.000 1.097 387 Y CA -0.000 58.216 58.100 0.194 0.000 1.250 387 Y CB 1.056 39.684 38.460 0.279 0.000 1.245 387 Y HN -0.117 nan 8.280 nan 0.000 0.522 388 G N 1.501 110.454 108.800 0.255 0.000 2.694 388 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.247 388 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.247 388 G C 0.488 175.538 174.900 0.249 0.000 0.989 388 G CA 0.240 45.460 45.100 0.199 0.000 1.252 388 G HN 0.300 nan 8.290 nan 0.000 0.483 389 M N 1.136 120.906 119.600 0.283 0.000 2.229 389 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 389 M C 2.716 179.326 176.300 0.516 0.000 1.063 389 M CA 2.295 57.826 55.300 0.384 0.000 1.114 389 M CB -0.104 32.778 32.600 0.470 0.000 1.387 389 M HN 0.647 nan 8.290 nan 0.000 0.420 390 G N -0.642 108.397 108.800 0.398 0.000 2.402 390 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 390 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 390 G C 1.448 176.517 174.900 0.282 0.000 1.162 390 G CA 1.269 46.578 45.100 0.348 0.000 0.777 390 G HN 0.346 nan 8.290 nan 0.000 0.539 391 T N 1.349 116.031 114.554 0.213 0.000 2.746 391 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 391 T C 1.994 176.798 174.700 0.174 0.000 1.039 391 T CA 0.582 62.787 62.100 0.175 0.000 1.142 391 T CB -0.169 68.799 68.868 0.166 0.000 0.866 391 T HN 0.113 nan 8.240 nan 0.000 0.444 392 L N 1.764 123.102 121.223 0.192 0.000 2.682 392 L HA 0.116 4.456 4.340 -0.000 0.000 0.240 392 L C 0.613 177.558 176.870 0.126 0.000 1.178 392 L CA -0.226 54.697 54.840 0.139 0.000 0.970 392 L CB -0.796 41.339 42.059 0.127 0.000 1.179 392 L HN 0.120 nan 8.230 nan 0.000 0.435 393 T N -0.113 114.566 114.554 0.208 0.000 2.946 393 T HA -0.001 4.349 4.350 -0.000 0.000 0.311 393 T C 0.629 175.371 174.700 0.069 0.000 1.063 393 T CA 0.274 62.486 62.100 0.186 0.000 1.139 393 T CB 0.658 69.753 68.868 0.379 0.000 0.994 393 T HN 0.137 nan 8.240 nan 0.000 0.547 394 S N 4.866 120.555 115.700 -0.019 0.000 2.422 394 S HA 0.356 4.826 4.470 -0.000 0.000 0.308 394 S C -2.289 172.315 174.600 0.006 0.000 1.097 394 S CA -1.232 56.955 58.200 -0.022 0.000 1.099 394 S CB 0.939 64.092 63.200 -0.077 0.000 0.976 394 S HN 0.458 nan 8.310 nan 0.000 0.471 395 P HA 0.044 nan 4.420 nan 0.000 0.260 395 P C -0.315 177.000 177.300 0.025 0.000 1.172 395 P CA -0.012 63.112 63.100 0.039 0.000 0.760 395 P CB 0.108 31.826 31.700 0.029 0.000 0.773 396 I N 2.339 122.936 120.570 0.044 0.000 2.752 396 I HA -0.005 4.165 4.170 -0.000 0.000 0.289 396 I C 0.953 177.077 176.117 0.011 0.000 1.197 396 I CA 0.558 61.878 61.300 0.034 0.000 1.432 396 I CB 0.303 38.342 38.000 0.066 0.000 1.359 396 I HN 0.340 nan 8.210 nan 0.000 0.571 397 A N 7.782 130.600 122.820 -0.004 0.000 2.437 397 A HA 0.255 4.575 4.320 -0.000 0.000 0.303 397 A C 0.589 178.164 177.584 -0.015 0.000 1.324 397 A CA -0.487 51.544 52.037 -0.011 0.000 0.983 397 A CB -0.106 18.884 19.000 -0.017 0.000 1.142 397 A HN 0.783 nan 8.150 nan 0.000 0.541 398 R N 2.012 122.504 120.500 -0.014 0.000 2.500 398 R HA 0.133 4.473 4.340 -0.000 0.000 0.281 398 R C 1.480 177.764 176.300 -0.027 0.000 0.953 398 R CA 1.779 57.868 56.100 -0.018 0.000 1.108 398 R CB -0.025 30.265 30.300 -0.016 0.000 0.901 398 R HN 1.618 nan 8.270 nan 0.000 0.410 399 G N 3.158 111.932 108.800 -0.043 0.000 2.284 399 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.261 399 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.261 399 G C 0.707 175.575 174.900 -0.054 0.000 0.997 399 G CA 0.873 45.944 45.100 -0.048 0.000 0.621 399 G HN 0.658 nan 8.290 nan 0.000 0.534 400 K N -0.804 119.569 120.400 -0.047 0.000 2.309 400 K HA 0.173 4.493 4.320 -0.000 0.000 0.210 400 K C 1.498 178.073 176.600 -0.042 0.000 1.114 400 K CA 0.424 56.687 56.287 -0.039 0.000 0.912 400 K CB 0.028 32.512 32.500 -0.027 0.000 1.198 400 K HN 0.083 nan 8.250 nan 0.000 0.471 401 D N 0.870 121.249 120.400 -0.036 0.000 2.269 401 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 401 D C 0.127 176.408 176.300 -0.033 0.000 0.963 401 D CA 0.646 54.634 54.000 -0.020 0.000 0.864 401 D CB 0.371 41.165 40.800 -0.010 0.000 0.936 401 D HN 0.199 nan 8.370 nan 0.000 0.505 402 A N 0.391 123.148 122.820 -0.105 0.000 2.539 402 A HA 0.566 4.886 4.320 -0.000 0.000 0.296 402 A C -2.663 174.704 177.584 -0.362 0.000 1.073 402 A CA -1.358 50.503 52.037 -0.293 0.000 0.700 402 A CB 1.676 20.543 19.000 -0.222 0.000 1.296 402 A HN -0.221 nan 8.150 nan 0.000 0.405 403 P HA 0.049 nan 4.420 nan 0.000 0.270 403 P C 0.922 178.100 177.300 -0.203 0.000 1.223 403 P CA 0.483 63.370 63.100 -0.355 0.000 0.785 403 P CB 0.746 32.227 31.700 -0.366 0.000 0.923 404 S N 0.530 116.176 115.700 -0.089 0.000 2.469 404 S HA -0.160 4.309 4.470 -0.000 0.000 0.238 404 S C 1.159 175.778 174.600 0.032 0.000 0.998 404 S CA 0.907 59.097 58.200 -0.017 0.000 0.957 404 S CB -1.096 62.112 63.200 0.013 0.000 0.764 404 S HN 0.641 nan 8.310 nan 0.000 0.514 405 N N 1.824 120.548 118.700 0.040 0.000 2.276 405 N HA 0.325 5.065 4.740 -0.000 0.000 0.212 405 N C 0.167 175.774 175.510 0.162 0.000 1.127 405 N CA 0.228 53.348 53.050 0.117 0.000 0.834 405 N CB -0.056 38.511 38.487 0.134 0.000 1.014 405 N HN 0.483 nan 8.380 nan 0.000 0.491 406 A N 0.285 123.170 122.820 0.108 0.000 2.287 406 A HA 0.543 4.863 4.320 -0.000 0.000 0.273 406 A C -0.173 177.539 177.584 0.214 0.000 1.091 406 A CA -0.478 51.680 52.037 0.202 0.000 0.817 406 A CB 0.936 19.991 19.000 0.092 0.000 1.069 406 A HN 0.071 nan 8.150 nan 0.000 0.492 407 V N 1.826 121.899 119.914 0.265 0.000 2.417 407 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 407 V C -0.358 175.867 176.094 0.217 0.000 1.024 407 V CA -0.221 62.237 62.300 0.264 0.000 0.861 407 V CB 1.136 33.164 31.823 0.341 0.000 0.985 407 V HN 0.667 nan 8.190 nan 0.000 0.436 408 L N 6.217 127.547 121.223 0.179 0.000 2.296 408 L HA 0.584 4.924 4.340 -0.000 0.000 0.286 408 L C -0.522 176.432 176.870 0.141 0.000 1.023 408 L CA -0.469 54.456 54.840 0.141 0.000 0.812 408 L CB 1.526 43.636 42.059 0.084 0.000 1.223 408 L HN 0.379 nan 8.230 nan 0.000 0.421 409 L N 3.189 124.496 121.223 0.140 0.000 2.325 409 L HA 0.448 4.788 4.340 -0.000 0.000 0.279 409 L C -0.114 176.795 176.870 0.064 0.000 1.054 409 L CA -0.710 54.200 54.840 0.117 0.000 0.804 409 L CB 1.277 43.409 42.059 0.121 0.000 1.200 409 L HN 0.596 nan 8.230 nan 0.000 0.436 410 N N 1.859 120.573 118.700 0.023 0.000 2.492 410 N HA 0.427 5.167 4.740 -0.000 0.000 0.289 410 N C -0.701 174.816 175.510 0.012 0.000 1.133 410 N CA -0.506 52.551 53.050 0.013 0.000 0.961 410 N CB 1.851 40.327 38.487 -0.018 0.000 1.186 410 N HN 0.482 nan 8.380 nan 0.000 0.493 411 E N 0.243 120.455 120.200 0.019 0.000 2.356 411 E HA 0.414 4.764 4.350 -0.000 0.000 0.275 411 E C -0.904 175.701 176.600 0.008 0.000 0.904 411 E CA -0.537 55.865 56.400 0.003 0.000 0.757 411 E CB 2.189 31.891 29.700 0.004 0.000 1.232 411 E HN 0.337 nan 8.360 nan 0.000 0.442 412 T N 2.416 116.967 114.554 -0.005 0.000 2.829 412 T HA 0.739 5.089 4.350 -0.000 0.000 0.280 412 T C 0.273 174.972 174.700 -0.001 0.000 0.999 412 T CA -0.526 61.574 62.100 -0.001 0.000 0.983 412 T CB 0.640 69.502 68.868 -0.010 0.000 0.968 412 T HN 0.440 nan 8.240 nan 0.000 0.446 413 I N -0.665 119.911 120.570 0.010 0.000 3.466 413 I HA 0.981 5.151 4.170 -0.000 0.000 0.311 413 I C -0.887 175.235 176.117 0.008 0.000 1.155 413 I CA -1.888 59.420 61.300 0.012 0.000 0.959 413 I CB 1.734 39.755 38.000 0.035 0.000 1.332 413 I HN 0.620 nan 8.210 nan 0.000 0.483 414 A N 1.584 124.409 122.820 0.010 0.000 2.312 414 A HA 0.626 4.946 4.320 -0.000 0.000 0.326 414 A C -0.791 176.814 177.584 0.034 0.000 1.172 414 A CA -0.436 51.594 52.037 -0.012 0.000 0.821 414 A CB 0.575 19.547 19.000 -0.047 0.000 1.166 414 A HN 0.842 nan 8.150 nan 0.000 0.493 415 D N 0.272 120.687 120.400 0.023 0.000 2.433 415 D HA 0.083 4.723 4.640 -0.000 0.000 0.255 415 D C 0.746 177.117 176.300 0.118 0.000 1.226 415 D CA -0.028 54.026 54.000 0.090 0.000 1.015 415 D CB -0.028 40.813 40.800 0.069 0.000 1.091 415 D HN 0.643 nan 8.370 nan 0.000 0.527 416 Y N -2.188 118.191 120.300 0.131 0.000 2.574 416 Y HA 0.005 4.555 4.550 -0.000 0.000 0.294 416 Y C 1.655 177.730 175.900 0.293 0.000 1.142 416 Y CA 1.136 59.353 58.100 0.195 0.000 1.314 416 Y CB -0.923 37.629 38.460 0.153 0.000 0.991 416 Y HN 0.370 nan 8.280 nan 0.000 0.555 417 T N -3.878 110.456 114.554 -0.368 0.000 3.069 417 T HA 0.450 4.800 4.350 -0.000 0.000 0.252 417 T C 1.550 176.227 174.700 -0.039 0.000 1.053 417 T CA 0.233 62.230 62.100 -0.172 0.000 0.964 417 T CB -0.251 68.409 68.868 -0.346 0.000 1.005 417 T HN 0.850 nan 8.240 nan 0.000 0.532 418 G N 0.698 109.391 108.800 -0.177 0.000 2.141 418 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.242 418 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.242 418 G C -0.061 174.673 174.900 -0.278 0.000 0.982 418 G CA -0.076 44.725 45.100 -0.497 0.000 0.662 418 G HN 0.710 nan 8.290 nan 0.000 0.527 419 V N 1.730 121.542 119.914 -0.169 0.000 2.439 419 V HA 0.471 4.591 4.120 -0.000 0.000 0.282 419 V C -1.594 174.453 176.094 -0.078 0.000 1.039 419 V CA -1.777 60.455 62.300 -0.114 0.000 0.913 419 V CB 1.660 33.428 31.823 -0.091 0.000 0.983 419 V HN 0.085 nan 8.190 nan 0.000 0.460 420 P HA 0.125 nan 4.420 nan 0.000 0.265 420 P C -0.569 176.719 177.300 -0.020 0.000 1.187 420 P CA 0.223 63.298 63.100 -0.041 0.000 0.766 420 P CB 0.354 32.030 31.700 -0.038 0.000 0.820 421 M N 2.145 121.744 119.600 -0.003 0.000 2.213 421 M HA 0.242 4.721 4.480 -0.000 0.000 0.286 421 M C -0.639 175.671 176.300 0.017 0.000 1.008 421 M CA -0.571 54.737 55.300 0.013 0.000 0.937 421 M CB 1.666 34.286 32.600 0.034 0.000 1.600 421 M HN 0.235 nan 8.290 nan 0.000 0.450 422 E N 4.851 125.059 120.200 0.013 0.000 2.167 422 E HA 0.372 4.722 4.350 -0.000 0.000 0.284 422 E C -1.313 175.302 176.600 0.025 0.000 1.016 422 E CA -0.404 56.004 56.400 0.013 0.000 0.817 422 E CB 0.889 30.590 29.700 0.002 0.000 1.080 422 E HN 0.655 nan 8.360 nan 0.000 0.397 423 I N 8.301 128.893 120.570 0.037 0.000 2.312 423 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 423 I C -1.923 174.221 176.117 0.045 0.000 1.031 423 I CA -2.072 59.260 61.300 0.054 0.000 1.293 423 I CB 0.984 39.037 38.000 0.089 0.000 1.403 423 I HN 0.408 nan 8.210 nan 0.000 0.484 424 P HA 0.131 nan 4.420 nan 0.000 0.278 424 P C -0.552 176.770 177.300 0.037 0.000 1.238 424 P CA -0.377 62.734 63.100 0.019 0.000 0.794 424 P CB 0.622 32.325 31.700 0.004 0.000 0.955 425 R N 0.972 121.494 120.500 0.035 0.000 3.387 425 R HA -0.232 4.108 4.340 -0.000 0.000 0.254 425 R C 1.186 177.546 176.300 0.099 0.000 1.006 425 R CA 0.439 56.574 56.100 0.058 0.000 0.677 425 R CB -2.424 27.898 30.300 0.037 0.000 1.063 425 R HN 0.599 nan 8.270 nan 0.000 0.453 426 A N 0.231 123.122 122.820 0.119 0.000 1.969 426 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 426 A C 1.024 178.776 177.584 0.280 0.000 1.169 426 A CA 0.960 53.113 52.037 0.193 0.000 0.635 426 A CB 0.270 19.367 19.000 0.162 0.000 0.810 426 A HN 0.382 nan 8.150 nan 0.000 0.445 427 I N -1.313 119.380 120.570 0.205 0.000 2.619 427 I HA 0.529 4.699 4.170 -0.000 0.000 0.292 427 I C -0.262 175.970 176.117 0.192 0.000 1.100 427 I CA -0.739 60.698 61.300 0.228 0.000 1.043 427 I CB 2.223 40.312 38.000 0.148 0.000 1.239 427 I HN 0.110 nan 8.210 nan 0.000 0.420 428 A N 5.754 128.713 122.820 0.232 0.000 2.305 428 A HA 0.833 5.153 4.320 -0.000 0.000 0.322 428 A C -0.821 176.904 177.584 0.236 0.000 1.187 428 A CA -0.483 51.708 52.037 0.257 0.000 0.825 428 A CB 1.211 20.419 19.000 0.346 0.000 1.164 428 A HN 0.435 nan 8.150 nan 0.000 0.498 429 V N 3.091 123.115 119.914 0.184 0.000 2.531 429 V HA 0.746 4.866 4.120 -0.000 0.000 0.301 429 V C -1.022 175.106 176.094 0.057 0.000 1.034 429 V CA -0.262 61.999 62.300 -0.065 0.000 0.865 429 V CB 0.781 32.434 31.823 -0.284 0.000 0.995 429 V HN 0.933 nan 8.190 nan 0.000 0.424 430 F N 1.268 121.096 119.950 -0.204 0.000 2.688 430 F HA 0.694 5.221 4.527 -0.000 0.000 0.308 430 F C -0.826 174.902 175.800 -0.120 0.000 1.117 430 F CA -1.071 56.888 58.000 -0.067 0.000 0.976 430 F CB 1.470 40.476 39.000 0.009 0.000 1.291 430 F HN 0.478 nan 8.300 nan 0.000 0.439 431 E N 2.450 122.763 120.200 0.189 0.000 2.242 431 E HA 0.690 5.039 4.350 -0.000 0.000 0.275 431 E C -0.998 175.726 176.600 0.207 0.000 1.002 431 E CA -0.883 55.564 56.400 0.078 0.000 0.841 431 E CB 1.362 31.210 29.700 0.248 0.000 1.109 431 E HN 0.840 nan 8.360 nan 0.000 0.394 432 R N 2.740 123.318 120.500 0.130 0.000 2.707 432 R HA 0.230 4.569 4.340 -0.000 0.000 0.272 432 R C -1.454 174.933 176.300 0.146 0.000 1.011 432 R CA -0.983 55.227 56.100 0.183 0.000 0.893 432 R CB 0.524 30.944 30.300 0.201 0.000 1.233 432 R HN 0.559 nan 8.270 nan 0.000 0.464 433 Y N 1.576 121.912 120.300 0.060 0.000 2.425 433 Y HA 0.415 4.964 4.550 -0.000 0.000 0.331 433 Y C -0.389 175.515 175.900 0.008 0.000 1.157 433 Y CA 0.257 58.378 58.100 0.036 0.000 1.372 433 Y CB 1.222 39.697 38.460 0.025 0.000 1.253 433 Y HN 0.827 nan 8.280 nan 0.000 0.536 434 A N 5.433 127.865 122.820 -0.647 0.000 2.959 434 A HA 0.613 4.933 4.320 -0.000 0.000 0.280 434 A C 0.616 177.819 177.584 -0.635 0.000 0.953 434 A CA 0.074 51.817 52.037 -0.489 0.000 1.047 434 A CB -0.864 17.964 19.000 -0.287 0.000 1.147 434 A HN 1.803 nan 8.150 nan 0.000 0.489 435 G N 0.808 108.890 108.800 -1.198 0.000 2.782 435 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.228 435 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.228 435 G C -2.984 171.665 174.900 -0.419 0.000 1.372 435 G CA -0.414 44.347 45.100 -0.564 0.000 0.862 435 G HN 0.481 nan 8.290 nan 0.000 0.547 436 P HA 0.286 nan 4.420 nan 0.000 0.276 436 P C 0.474 177.705 177.300 -0.116 0.000 1.230 436 P CA 0.056 63.108 63.100 -0.079 0.000 0.776 436 P CB 1.625 33.323 31.700 -0.003 0.000 0.888 437 E N 3.931 124.025 120.200 -0.178 0.000 2.106 437 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 437 E C -0.093 176.475 176.600 -0.054 0.000 0.984 437 E CA 1.574 57.878 56.400 -0.160 0.000 0.806 437 E CB -0.320 29.225 29.700 -0.258 0.000 0.750 437 E HN 0.565 nan 8.360 nan 0.000 0.458 438 Y N -3.009 117.294 120.300 0.005 0.000 2.662 438 Y HA 0.605 5.155 4.550 -0.000 0.000 0.334 438 Y C -1.298 174.617 175.900 0.026 0.000 1.185 438 Y CA -1.769 56.336 58.100 0.009 0.000 1.074 438 Y CB 0.495 38.955 38.460 0.000 0.000 1.330 438 Y HN -0.131 nan 8.280 nan 0.000 0.458 439 K N 1.400 121.999 120.400 0.332 0.000 2.557 439 K HA 0.532 4.852 4.320 -0.000 0.000 0.261 439 K C -2.632 174.115 176.600 0.246 0.000 0.932 439 K CA -0.824 55.610 56.287 0.246 0.000 0.829 439 K CB 2.017 34.596 32.500 0.131 0.000 1.358 439 K HN 1.030 nan 8.250 nan 0.000 0.430 440 H N 2.158 121.283 119.070 0.091 0.000 3.181 440 H HA 0.246 4.802 4.556 -0.000 0.000 0.331 440 H C -1.771 173.578 175.328 0.035 0.000 0.988 440 H CA -0.335 55.738 56.048 0.043 0.000 1.449 440 H CB 1.649 31.418 29.762 0.011 0.000 1.749 440 H HN 0.521 nan 8.280 nan 0.000 0.501 441 Q N 3.741 123.257 119.800 -0.473 0.000 2.509 441 Q HA 0.241 4.581 4.340 -0.000 0.000 0.236 441 Q C -0.801 174.822 176.000 -0.629 0.000 1.073 441 Q CA -0.753 54.827 55.803 -0.373 0.000 0.867 441 Q CB 0.576 29.216 28.738 -0.164 0.000 1.181 441 Q HN 0.608 nan 8.270 nan 0.000 0.526 442 E N 3.380 123.177 120.200 -0.671 0.000 2.344 442 E HA 0.063 4.412 4.350 -0.000 0.000 0.270 442 E C -0.401 176.109 176.600 -0.151 0.000 1.021 442 E CA -0.144 56.033 56.400 -0.372 0.000 0.887 442 E CB 0.515 30.166 29.700 -0.082 0.000 0.997 442 E HN 0.783 nan 8.360 nan 0.000 0.429 443 M N 4.644 124.198 119.600 -0.076 0.000 2.274 443 M HA -0.035 4.445 4.480 -0.000 0.000 0.377 443 M C 0.847 177.128 176.300 -0.031 0.000 1.428 443 M CA 1.884 57.160 55.300 -0.040 0.000 0.907 443 M CB -0.416 32.177 32.600 -0.011 0.000 1.974 443 M HN 0.886 nan 8.290 nan 0.000 0.479 444 G N 3.015 111.797 108.800 -0.030 0.000 2.168 444 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.257 444 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.257 444 G C -0.202 174.685 174.900 -0.022 0.000 0.997 444 G CA 0.248 45.335 45.100 -0.021 0.000 0.708 444 G HN 0.664 nan 8.290 nan 0.000 0.520 445 Q N -0.649 119.131 119.800 -0.034 0.000 2.496 445 Q HA 0.575 4.915 4.340 -0.000 0.000 0.286 445 Q C -2.504 173.477 176.000 -0.032 0.000 1.103 445 Q CA -1.862 53.925 55.803 -0.026 0.000 0.813 445 Q CB 1.584 30.308 28.738 -0.023 0.000 1.444 445 Q HN 0.152 nan 8.270 nan 0.000 0.443 446 P HA 0.054 nan 4.420 nan 0.000 0.271 446 P C -0.158 177.129 177.300 -0.022 0.000 1.216 446 P CA -0.124 62.967 63.100 -0.016 0.000 0.776 446 P CB 0.523 32.221 31.700 -0.004 0.000 0.881 447 N N 1.308 119.994 118.700 -0.022 0.000 2.415 447 N HA 0.124 4.863 4.740 -0.000 0.000 0.248 447 N C -1.199 174.319 175.510 0.014 0.000 1.271 447 N CA -0.122 52.914 53.050 -0.023 0.000 0.913 447 N CB 0.474 38.953 38.487 -0.014 0.000 1.129 447 N HN 0.039 nan 8.380 nan 0.000 0.444 448 V N 1.755 121.693 119.914 0.039 0.000 2.443 448 V HA 0.371 4.490 4.120 -0.000 0.000 0.293 448 V C -0.740 175.433 176.094 0.132 0.000 1.021 448 V CA -0.496 61.864 62.300 0.099 0.000 0.848 448 V CB 1.298 33.206 31.823 0.141 0.000 0.998 448 V HN 0.673 nan 8.190 nan 0.000 0.424 449 S N 2.525 118.281 115.700 0.093 0.000 2.541 449 S HA 0.841 5.311 4.470 -0.000 0.000 0.271 449 S C -0.405 174.162 174.600 -0.055 0.000 1.133 449 S CA -0.725 57.502 58.200 0.046 0.000 0.876 449 S CB 2.456 65.672 63.200 0.027 0.000 1.105 449 S HN 0.925 nan 8.310 nan 0.000 0.470 450 T N -0.858 113.561 114.554 -0.225 0.000 2.909 450 T HA 0.665 5.015 4.350 -0.000 0.000 0.299 450 T C -0.880 173.698 174.700 -0.205 0.000 1.073 450 T CA -1.047 60.886 62.100 -0.278 0.000 0.999 450 T CB 1.504 70.044 68.868 -0.545 0.000 1.098 450 T HN 0.683 nan 8.240 nan 0.000 0.477 451 E N 1.844 121.993 120.200 -0.085 0.000 2.313 451 E HA 0.414 4.764 4.350 -0.000 0.000 0.272 451 E C -0.239 176.307 176.600 -0.090 0.000 1.038 451 E CA -1.108 55.286 56.400 -0.010 0.000 0.863 451 E CB 1.383 31.189 29.700 0.177 0.000 1.060 451 E HN 0.704 nan 8.360 nan 0.000 0.402 452 R N 1.775 122.170 120.500 -0.175 0.000 2.368 452 R HA 0.270 4.610 4.340 -0.000 0.000 0.302 452 R C -0.730 175.516 176.300 -0.090 0.000 1.002 452 R CA -0.676 55.342 56.100 -0.136 0.000 0.929 452 R CB 0.826 31.023 30.300 -0.172 0.000 1.073 452 R HN 0.477 nan 8.270 nan 0.000 0.464 453 R N 3.009 123.544 120.500 0.058 0.000 2.599 453 R HA 0.328 4.668 4.340 -0.000 0.000 0.295 453 R C -0.942 175.505 176.300 0.245 0.000 0.963 453 R CA -0.683 55.524 56.100 0.179 0.000 0.883 453 R CB 1.967 32.480 30.300 0.354 0.000 1.171 453 R HN 0.745 nan 8.270 nan 0.000 0.450 454 E N 1.480 121.713 120.200 0.055 0.000 2.256 454 E HA 0.370 4.720 4.350 -0.000 0.000 0.267 454 E C -0.974 175.392 176.600 -0.390 0.000 0.892 454 E CA -1.091 55.227 56.400 -0.136 0.000 0.775 454 E CB 2.479 31.982 29.700 -0.329 0.000 1.207 454 E HN 0.078 nan 8.360 nan 0.000 0.420 455 L N 3.257 124.022 121.223 -0.763 0.000 2.287 455 L HA 0.395 4.735 4.340 -0.000 0.000 0.287 455 L C -1.386 175.112 176.870 -0.621 0.000 1.022 455 L CA -0.588 53.643 54.840 -1.016 0.000 0.814 455 L CB 1.418 42.527 42.059 -1.584 0.000 1.217 455 L HN 0.284 nan 8.230 nan 0.000 0.420 456 V N 5.660 125.118 119.914 -0.760 0.000 2.513 456 V HA 0.516 4.635 4.120 -0.000 0.000 0.299 456 V C -0.449 175.295 176.094 -0.583 0.000 1.035 456 V CA -0.755 61.106 62.300 -0.732 0.000 0.889 456 V CB 1.938 33.004 31.823 -1.261 0.000 0.988 456 V HN 0.464 nan 8.190 nan 0.000 0.440 457 V N 5.559 125.351 119.914 -0.202 0.000 2.313 457 V HA 0.508 4.628 4.120 -0.000 0.000 0.278 457 V C 0.073 176.268 176.094 0.168 0.000 1.017 457 V CA -0.526 61.776 62.300 0.002 0.000 0.823 457 V CB 1.280 33.161 31.823 0.097 0.000 1.010 457 V HN 0.874 nan 8.190 nan 0.000 0.443 458 R N 3.890 124.531 120.500 0.236 0.000 2.562 458 R HA 0.586 4.926 4.340 -0.000 0.000 0.298 458 R C -1.851 174.722 176.300 0.455 0.000 0.961 458 R CA -0.595 55.732 56.100 0.378 0.000 0.881 458 R CB 1.819 32.382 30.300 0.439 0.000 1.159 458 R HN 0.648 nan 8.270 nan 0.000 0.450 459 W N 6.498 127.972 121.300 0.290 0.000 3.022 459 W HA 0.551 5.210 4.660 -0.000 0.000 0.335 459 W C -1.925 174.768 176.519 0.289 0.000 1.133 459 W CA -0.781 56.718 57.345 0.257 0.000 1.219 459 W CB 1.195 30.815 29.460 0.267 0.000 1.409 459 W HN 0.400 nan 8.180 nan 0.000 0.507 460 I N 5.125 125.476 120.570 -0.365 0.000 2.509 460 I HA 0.441 4.610 4.170 -0.000 0.000 0.293 460 I C -0.358 175.311 176.117 -0.747 0.000 1.020 460 I CA -0.988 60.029 61.300 -0.472 0.000 1.088 460 I CB 1.982 39.861 38.000 -0.201 0.000 1.267 460 I HN 0.383 nan 8.210 nan 0.000 0.430 461 S N 3.320 118.636 115.700 -0.640 0.000 2.536 461 S HA 0.674 5.144 4.470 -0.000 0.000 0.287 461 S C -0.830 173.675 174.600 -0.159 0.000 1.101 461 S CA -0.266 57.694 58.200 -0.399 0.000 0.950 461 S CB 1.875 64.819 63.200 -0.427 0.000 1.056 461 S HN 0.600 nan 8.310 nan 0.000 0.481 462 T N 3.285 117.783 114.554 -0.093 0.000 2.841 462 T HA 0.558 4.908 4.350 -0.000 0.000 0.285 462 T C -1.238 173.429 174.700 -0.055 0.000 0.991 462 T CA -0.449 61.585 62.100 -0.110 0.000 0.966 462 T CB 1.353 70.138 68.868 -0.138 0.000 0.962 462 T HN 0.451 nan 8.240 nan 0.000 0.438 463 V N 3.537 123.402 119.914 -0.082 0.000 2.409 463 V HA 0.689 4.809 4.120 -0.000 0.000 0.290 463 V C 1.013 176.953 176.094 -0.256 0.000 1.017 463 V CA 0.225 62.456 62.300 -0.114 0.000 0.841 463 V CB 0.587 32.348 31.823 -0.103 0.000 1.003 463 V HN 1.246 nan 8.190 nan 0.000 0.426 464 G N 6.012 114.764 108.800 -0.079 0.000 2.596 464 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.304 464 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.304 464 G C 0.264 175.031 174.900 -0.222 0.000 1.189 464 G CA 0.543 45.679 45.100 0.061 0.000 0.986 464 G HN 0.920 nan 8.290 nan 0.000 0.548 468 Y N 1.096 121.249 120.300 -0.244 0.000 2.352 468 Y HA 0.633 5.183 4.550 -0.000 0.000 0.339 468 Y C 0.071 175.715 175.900 -0.426 0.000 0.992 468 Y CA -0.817 57.102 58.100 -0.301 0.000 1.100 468 Y CB 1.331 39.772 38.460 -0.032 0.000 1.192 468 Y HN 0.266 nan 8.280 nan 0.000 0.458 469 I N 4.180 124.445 120.570 -0.508 0.000 2.404 469 I HA 0.436 4.606 4.170 -0.000 0.000 0.293 469 I C -1.199 174.568 176.117 -0.584 0.000 0.992 469 I CA -0.664 60.383 61.300 -0.421 0.000 1.149 469 I CB 1.306 39.062 38.000 -0.407 0.000 1.315 469 I HN 0.376 nan 8.210 nan 0.000 0.446 470 F N 3.142 123.196 119.950 0.174 0.000 2.539 470 F HA 0.415 4.942 4.527 -0.000 0.000 0.318 470 F C -0.553 175.405 175.800 0.263 0.000 1.135 470 F CA -0.749 57.401 58.000 0.250 0.000 0.915 470 F CB 1.757 41.065 39.000 0.513 0.000 1.176 470 F HN 0.313 nan 8.300 nan 0.000 0.440 471 D N 2.399 122.920 120.400 0.202 0.000 2.408 471 D HA 0.243 4.883 4.640 -0.000 0.000 0.243 471 D C -1.383 174.786 176.300 -0.218 0.000 1.075 471 D CA -0.244 53.808 54.000 0.087 0.000 0.832 471 D CB 1.261 42.059 40.800 -0.002 0.000 1.162 471 D HN 0.313 nan 8.370 nan 0.000 0.515 472 W N 2.924 124.126 121.300 -0.164 0.000 2.291 472 W HA 0.474 5.134 4.660 -0.000 0.000 0.312 472 W C 0.049 176.254 176.519 -0.523 0.000 1.061 472 W CA -0.581 56.533 57.345 -0.385 0.000 1.296 472 W CB 0.568 29.799 29.460 -0.381 0.000 1.223 472 W HN 0.147 nan 8.180 nan 0.000 0.421 473 I N 4.676 124.962 120.570 -0.474 0.000 2.328 473 I HA 0.299 4.469 4.170 -0.000 0.000 0.287 473 I C -0.796 175.012 176.117 -0.515 0.000 1.012 473 I CA -0.884 60.155 61.300 -0.435 0.000 1.195 473 I CB 0.447 38.270 38.000 -0.296 0.000 1.350 473 I HN 0.095 nan 8.210 nan 0.000 0.464 474 F N 4.642 124.349 119.950 -0.403 0.000 2.405 474 F HA 0.377 4.904 4.527 -0.000 0.000 0.355 474 F C 0.837 176.664 175.800 0.045 0.000 1.121 474 F CA -0.359 57.396 58.000 -0.409 0.000 1.112 474 F CB 0.454 38.912 39.000 -0.902 0.000 1.126 474 F HN 0.389 nan 8.300 nan 0.000 0.481 475 H N 2.850 122.124 119.070 0.340 0.000 2.487 475 H HA 0.143 4.699 4.556 -0.000 0.000 0.333 475 H C 0.664 176.475 175.328 0.806 0.000 1.114 475 H CA -0.430 55.889 56.048 0.451 0.000 1.310 475 H CB 1.539 31.470 29.762 0.281 0.000 1.462 475 H HN 0.742 nan 8.280 nan 0.000 0.516 476 E N 1.468 122.098 120.200 0.717 0.000 2.160 476 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 476 E C 1.170 178.020 176.600 0.416 0.000 0.991 476 E CA 0.955 57.641 56.400 0.476 0.000 0.810 476 E CB -0.006 29.784 29.700 0.150 0.000 0.742 476 E HN 0.668 nan 8.360 nan 0.000 0.466 477 N N -0.626 118.287 118.700 0.355 0.000 2.501 477 N HA -0.039 4.701 4.740 -0.000 0.000 0.195 477 N C 1.137 176.707 175.510 0.101 0.000 1.213 477 N CA 0.535 53.674 53.050 0.148 0.000 0.864 477 N CB 0.645 39.182 38.487 0.083 0.000 0.999 477 N HN 0.163 nan 8.380 nan 0.000 0.454 478 G N -0.157 108.907 108.800 0.441 0.000 2.254 478 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.225 478 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.225 478 G C 0.236 175.535 174.900 0.665 0.000 1.003 478 G CA 0.210 45.561 45.100 0.418 0.000 0.622 478 G HN 0.422 nan 8.290 nan 0.000 0.507 479 T N 1.351 116.133 114.554 0.380 0.000 2.913 479 T HA 0.597 4.946 4.350 -0.000 0.000 0.297 479 T C 0.329 175.095 174.700 0.111 0.000 1.029 479 T CA 0.451 62.608 62.100 0.096 0.000 1.104 479 T CB 1.453 70.054 68.868 -0.444 0.000 0.964 479 T HN 0.342 nan 8.240 nan 0.000 0.532 480 I N 1.458 122.016 120.570 -0.020 0.000 2.498 480 I HA 0.546 4.715 4.170 -0.000 0.000 0.290 480 I C 0.602 176.572 176.117 -0.244 0.000 1.032 480 I CA -0.733 60.437 61.300 -0.217 0.000 1.073 480 I CB 2.006 39.797 38.000 -0.349 0.000 1.251 480 I HN 0.701 nan 8.210 nan 0.000 0.426 481 G N 6.414 115.071 108.800 -0.240 0.000 2.432 481 G HA2 0.837 4.797 3.960 -0.000 0.000 0.331 481 G HA3 0.837 4.797 3.960 -0.000 0.000 0.331 481 G C -0.937 173.703 174.900 -0.433 0.000 1.170 481 G CA -0.478 44.485 45.100 -0.227 0.000 0.943 481 G HN 0.494 nan 8.290 nan 0.000 0.483 482 I N 1.555 121.819 120.570 -0.510 0.000 2.503 482 I HA 0.260 4.430 4.170 -0.000 0.000 0.282 482 I C -1.454 174.318 176.117 -0.574 0.000 1.059 482 I CA -0.741 60.047 61.300 -0.853 0.000 1.081 482 I CB 2.131 39.273 38.000 -1.430 0.000 1.210 482 I HN 0.222 nan 8.210 nan 0.000 0.450 483 D N 4.740 124.910 120.400 -0.383 0.000 2.269 483 D HA 0.789 5.429 4.640 -0.000 0.000 0.244 483 D C -0.594 175.664 176.300 -0.069 0.000 0.992 483 D CA -0.290 53.622 54.000 -0.146 0.000 0.894 483 D CB 2.518 43.291 40.800 -0.045 0.000 1.248 483 D HN 0.578 nan 8.370 nan 0.000 0.468 484 A N 0.515 123.265 122.820 -0.117 0.000 2.359 484 A HA 0.755 5.075 4.320 -0.000 0.000 0.303 484 A C -0.073 177.161 177.584 -0.584 0.000 1.066 484 A CA -0.611 51.101 52.037 -0.543 0.000 0.730 484 A CB 1.573 19.964 19.000 -1.015 0.000 1.211 484 A HN 0.478 nan 8.150 nan 0.000 0.439 485 G N 0.128 108.339 108.800 -0.982 0.000 2.473 485 G HA2 0.800 4.760 3.960 -0.000 0.000 0.321 485 G HA3 0.800 4.760 3.960 -0.000 0.000 0.321 485 G C -0.553 173.823 174.900 -0.872 0.000 1.200 485 G CA -0.053 44.172 45.100 -1.458 0.000 0.963 485 G HN 1.674 nan 8.290 nan 0.000 0.483 486 A N 0.217 122.588 122.820 -0.749 0.000 2.393 486 A HA 0.909 5.228 4.320 -0.000 0.000 0.306 486 A C -0.247 177.005 177.584 -0.554 0.000 1.050 486 A CA -0.350 51.358 52.037 -0.550 0.000 0.724 486 A CB 2.157 20.905 19.000 -0.420 0.000 1.248 486 A HN 1.221 nan 8.150 nan 0.000 0.424 487 T N 0.055 114.288 114.554 -0.534 0.000 2.645 487 T HA 0.837 5.187 4.350 -0.000 0.000 0.300 487 T C 0.144 174.587 174.700 -0.427 0.000 1.210 487 T CA 0.965 62.816 62.100 -0.415 0.000 1.034 487 T CB 1.018 69.663 68.868 -0.372 0.000 1.537 487 T HN 2.776 nan 8.240 nan 0.000 0.492 488 G N 0.548 109.116 108.800 -0.387 0.000 2.342 488 G HA2 0.124 4.084 3.960 -0.000 0.000 0.220 488 G HA3 0.124 4.084 3.960 -0.000 0.000 0.220 488 G C -1.742 172.892 174.900 -0.443 0.000 1.243 488 G CA -0.298 44.522 45.100 -0.467 0.000 1.083 488 G HN 0.837 nan 8.290 nan 0.000 0.500 489 I N 1.523 121.770 120.570 -0.537 0.000 2.354 489 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 489 I C 0.750 176.708 176.117 -0.265 0.000 0.989 489 I CA -0.836 60.195 61.300 -0.448 0.000 1.188 489 I CB 0.920 38.484 38.000 -0.726 0.000 1.342 489 I HN 0.632 nan 8.210 nan 0.000 0.457 490 E N 3.217 123.461 120.200 0.074 0.000 2.404 490 E HA 0.362 4.712 4.350 -0.000 0.000 0.261 490 E C -0.040 176.648 176.600 0.146 0.000 1.074 490 E CA -0.376 56.108 56.400 0.140 0.000 0.917 490 E CB 1.025 30.883 29.700 0.263 0.000 0.965 490 E HN 0.712 nan 8.360 nan 0.000 0.433 491 A N 2.535 125.432 122.820 0.129 0.000 2.347 491 A HA 0.339 4.659 4.320 -0.000 0.000 0.287 491 A C -0.051 177.762 177.584 0.380 0.000 1.199 491 A CA -0.546 51.639 52.037 0.247 0.000 0.851 491 A CB -0.182 18.913 19.000 0.159 0.000 1.118 491 A HN 0.365 nan 8.150 nan 0.000 0.525 492 V N 0.565 120.721 119.914 0.402 0.000 2.919 492 V HA 0.687 4.807 4.120 -0.000 0.000 0.316 492 V C -0.197 176.158 176.094 0.434 0.000 1.077 492 V CA -1.130 61.314 62.300 0.241 0.000 0.977 492 V CB 1.658 33.397 31.823 -0.140 0.000 1.039 492 V HN 0.835 nan 8.190 nan 0.000 0.441 493 K N 1.917 122.436 120.400 0.198 0.000 2.185 493 K HA 0.640 4.960 4.320 -0.000 0.000 0.269 493 K C 0.258 176.933 176.600 0.126 0.000 0.987 493 K CA -0.183 56.259 56.287 0.259 0.000 0.865 493 K CB 1.279 33.721 32.500 -0.095 0.000 1.090 493 K HN 1.199 nan 8.250 nan 0.000 0.450 494 G N 2.274 111.169 108.800 0.157 0.000 2.403 494 G HA2 0.430 4.390 3.960 -0.000 0.000 0.259 494 G HA3 0.430 4.390 3.960 -0.000 0.000 0.259 494 G C -0.561 174.377 174.900 0.063 0.000 1.244 494 G CA -0.391 44.768 45.100 0.098 0.000 0.849 494 G HN 0.516 nan 8.290 nan 0.000 0.532 495 V N -0.302 119.635 119.914 0.037 0.000 3.159 495 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 495 V C 0.684 176.794 176.094 0.027 0.000 1.190 495 V CA -1.141 61.172 62.300 0.021 0.000 1.037 495 V CB 2.021 33.839 31.823 -0.010 0.000 1.060 495 V HN 0.676 nan 8.190 nan 0.000 0.437 496 K N 1.195 121.607 120.400 0.020 0.000 2.228 496 K HA 0.343 4.663 4.320 -0.000 0.000 0.202 496 K C 1.051 177.663 176.600 0.020 0.000 1.051 496 K CA 1.136 57.436 56.287 0.022 0.000 0.960 496 K CB 0.022 32.532 32.500 0.016 0.000 0.743 496 K HN 0.965 nan 8.250 nan 0.000 0.458 497 A N 1.885 124.711 122.820 0.011 0.000 2.488 497 A HA 0.017 4.337 4.320 -0.000 0.000 0.249 497 A C 0.626 178.234 177.584 0.039 0.000 1.083 497 A CA 0.198 52.242 52.037 0.013 0.000 0.768 497 A CB 0.365 19.360 19.000 -0.008 0.000 1.017 497 A HN 0.178 nan 8.150 nan 0.000 0.496 498 K N 0.110 120.540 120.400 0.051 0.000 2.276 498 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 498 K C 0.664 177.383 176.600 0.199 0.000 1.052 498 K CA 1.345 57.699 56.287 0.111 0.000 0.984 498 K CB 0.300 32.782 32.500 -0.030 0.000 0.836 498 K HN 0.919 nan 8.250 nan 0.000 0.490 499 T N -3.133 111.471 114.554 0.083 0.000 2.841 499 T HA 0.254 4.604 4.350 -0.000 0.000 0.296 499 T C 0.579 175.228 174.700 -0.085 0.000 1.166 499 T CA -0.847 61.269 62.100 0.025 0.000 1.007 499 T CB 1.227 70.119 68.868 0.039 0.000 1.253 499 T HN -0.272 nan 8.240 nan 0.000 0.511 500 M N 0.850 120.312 119.600 -0.230 0.000 2.700 500 M HA 0.032 4.512 4.480 -0.000 0.000 0.249 500 M C 1.123 177.275 176.300 -0.248 0.000 1.082 500 M CA 0.913 56.067 55.300 -0.243 0.000 1.077 500 M CB -1.409 31.033 32.600 -0.263 0.000 1.477 500 M HN 0.624 nan 8.290 nan 0.000 0.529 501 H N -0.585 118.490 119.070 0.009 0.000 2.539 501 H HA 0.205 4.761 4.556 -0.000 0.000 0.269 501 H C -0.088 175.240 175.328 0.000 0.000 0.980 501 H CA -0.079 55.971 56.048 0.004 0.000 1.152 501 H CB 0.148 29.914 29.762 0.008 0.000 1.407 501 H HN 0.242 nan 8.280 nan 0.000 0.564 502 D N 0.918 121.362 120.400 0.074 0.000 2.313 502 D HA 0.018 4.658 4.640 -0.000 0.000 0.247 502 D C 1.271 177.585 176.300 0.023 0.000 1.094 502 D CA -0.149 53.878 54.000 0.044 0.000 0.925 502 D CB 1.433 42.249 40.800 0.027 0.000 1.188 502 D HN 0.225 nan 8.370 nan 0.000 0.430 503 E N 0.170 120.381 120.200 0.018 0.000 2.065 503 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 503 E C 1.517 178.115 176.600 -0.004 0.000 1.016 503 E CA 1.894 58.298 56.400 0.007 0.000 0.818 503 E CB -0.111 29.592 29.700 0.005 0.000 0.749 503 E HN 0.573 nan 8.360 nan 0.000 0.453 504 T N -1.671 112.879 114.554 -0.006 0.000 3.148 504 T HA 0.338 4.688 4.350 -0.000 0.000 0.253 504 T C 1.757 176.438 174.700 -0.031 0.000 1.134 504 T CA 0.407 62.497 62.100 -0.017 0.000 1.051 504 T CB 0.240 69.102 68.868 -0.010 0.000 0.959 504 T HN 0.202 nan 8.240 nan 0.000 0.525 505 A N 2.716 125.518 122.820 -0.029 0.000 1.903 505 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 505 A C 2.357 179.899 177.584 -0.069 0.000 1.191 505 A CA 2.163 54.172 52.037 -0.048 0.000 0.638 505 A CB -0.784 18.187 19.000 -0.048 0.000 0.823 505 A HN 0.633 nan 8.150 nan 0.000 0.451 506 K N -0.952 119.409 120.400 -0.065 0.000 2.057 506 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 506 K C 1.253 177.784 176.600 -0.114 0.000 1.050 506 K CA 1.676 57.912 56.287 -0.085 0.000 0.935 506 K CB -0.207 32.252 32.500 -0.068 0.000 0.715 506 K HN 0.378 nan 8.250 nan 0.000 0.439 507 D N 1.044 121.386 120.400 -0.096 0.000 2.183 507 D HA -0.111 4.529 4.640 -0.000 0.000 0.203 507 D C 1.357 177.578 176.300 -0.132 0.000 0.969 507 D CA 0.896 54.825 54.000 -0.118 0.000 0.842 507 D CB -0.206 40.553 40.800 -0.067 0.000 0.957 507 D HN 0.256 nan 8.370 nan 0.000 0.484 508 D N -0.230 120.114 120.400 -0.094 0.000 2.264 508 D HA -0.080 4.559 4.640 -0.000 0.000 0.208 508 D C 1.662 177.887 176.300 -0.125 0.000 0.966 508 D CA 1.035 54.983 54.000 -0.085 0.000 0.864 508 D CB -0.101 40.663 40.800 -0.060 0.000 0.933 508 D HN 0.303 nan 8.370 nan 0.000 0.499 509 T N -2.765 111.698 114.554 -0.153 0.000 3.134 509 T HA 0.191 4.541 4.350 -0.000 0.000 0.260 509 T C 1.524 176.077 174.700 -0.245 0.000 1.027 509 T CA -0.455 61.543 62.100 -0.170 0.000 0.913 509 T CB 0.571 69.357 68.868 -0.136 0.000 1.046 509 T HN -0.055 nan 8.240 nan 0.000 0.553 510 R N 0.547 120.815 120.500 -0.387 0.000 2.105 510 R HA -0.084 4.256 4.340 -0.000 0.000 0.239 510 R C 0.546 176.447 176.300 -0.665 0.000 1.135 510 R CA 1.581 57.307 56.100 -0.623 0.000 0.967 510 R CB -0.223 29.452 30.300 -1.041 0.000 0.861 510 R HN 0.575 nan 8.270 nan 0.000 0.442 511 Y N -1.345 118.873 120.300 -0.136 0.000 2.636 511 Y HA 0.510 5.060 4.550 -0.000 0.000 0.260 511 Y C 0.445 176.237 175.900 -0.180 0.000 1.177 511 Y CA -0.046 57.959 58.100 -0.158 0.000 1.209 511 Y CB 1.256 39.607 38.460 -0.182 0.000 1.166 511 Y HN 0.165 nan 8.280 nan 0.000 0.531 512 G N -0.938 107.804 108.800 -0.097 0.000 2.387 512 G HA2 0.327 4.287 3.960 -0.000 0.000 0.294 512 G HA3 0.327 4.287 3.960 -0.000 0.000 0.294 512 G C -1.172 173.651 174.900 -0.128 0.000 1.509 512 G CA -0.992 44.038 45.100 -0.116 0.000 0.806 512 G HN -0.169 nan 8.290 nan 0.000 0.546 513 T N 0.608 115.089 114.554 -0.122 0.000 2.913 513 T HA 0.387 4.736 4.350 -0.000 0.000 0.297 513 T C 0.287 174.909 174.700 -0.130 0.000 1.029 513 T CA -0.110 61.924 62.100 -0.111 0.000 1.104 513 T CB 1.396 70.213 68.868 -0.085 0.000 0.964 513 T HN 0.650 nan 8.240 nan 0.000 0.532 514 L N 5.124 126.276 121.223 -0.119 0.000 2.342 514 L HA 0.332 4.672 4.340 -0.000 0.000 0.285 514 L C 0.905 177.690 176.870 -0.142 0.000 1.095 514 L CA 0.074 54.835 54.840 -0.131 0.000 0.843 514 L CB -0.412 41.585 42.059 -0.102 0.000 1.201 514 L HN 0.725 nan 8.230 nan 0.000 0.445 515 I N 0.007 120.453 120.570 -0.206 0.000 3.860 515 I HA 0.425 4.595 4.170 -0.000 0.000 0.319 515 I C -0.191 175.800 176.117 -0.209 0.000 1.279 515 I CA 0.095 61.282 61.300 -0.189 0.000 1.220 515 I CB 0.222 38.105 38.000 -0.195 0.000 1.027 515 I HN 0.489 nan 8.210 nan 0.000 0.428 516 D N -0.085 120.148 120.400 -0.279 0.000 2.622 516 D HA 0.296 4.936 4.640 -0.000 0.000 0.255 516 D C -1.048 175.141 176.300 -0.185 0.000 1.246 516 D CA -0.519 53.340 54.000 -0.235 0.000 0.795 516 D CB 1.330 42.031 40.800 -0.165 0.000 1.369 516 D HN 0.168 nan 8.370 nan 0.000 0.425 517 H N 1.344 120.426 119.070 0.020 0.000 3.070 517 H HA 0.171 4.727 4.556 -0.000 0.000 0.313 517 H C 0.437 175.770 175.328 0.008 0.000 0.997 517 H CA 0.955 57.013 56.048 0.016 0.000 1.438 517 H CB -0.032 29.760 29.762 0.050 0.000 1.455 517 H HN 0.402 nan 8.280 nan 0.000 0.575 518 N N 0.691 119.459 118.700 0.112 0.000 2.909 518 N HA -0.189 4.551 4.740 -0.000 0.000 0.242 518 N C -1.085 174.426 175.510 0.002 0.000 0.975 518 N CA 0.928 54.014 53.050 0.061 0.000 0.921 518 N CB -0.895 37.649 38.487 0.095 0.000 1.112 518 N HN 0.450 nan 8.380 nan 0.000 0.581 519 I N 0.595 121.117 120.570 -0.080 0.000 2.499 519 I HA 0.437 4.607 4.170 -0.000 0.000 0.288 519 I C -0.515 175.445 176.117 -0.262 0.000 1.048 519 I CA -0.969 60.212 61.300 -0.198 0.000 1.062 519 I CB 2.005 39.777 38.000 -0.380 0.000 1.238 519 I HN -0.243 nan 8.210 nan 0.000 0.426 520 V N 4.390 124.174 119.914 -0.216 0.000 2.555 520 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 520 V C 0.504 176.458 176.094 -0.233 0.000 1.038 520 V CA -0.541 61.628 62.300 -0.217 0.000 0.887 520 V CB 2.030 33.749 31.823 -0.172 0.000 0.991 520 V HN 0.874 nan 8.190 nan 0.000 0.434 521 G N 2.389 111.059 108.800 -0.217 0.000 2.448 521 G HA2 0.371 4.331 3.960 -0.000 0.000 0.309 521 G HA3 0.371 4.331 3.960 -0.000 0.000 0.309 521 G C 0.187 175.013 174.900 -0.122 0.000 1.027 521 G CA -0.128 44.881 45.100 -0.152 0.000 1.104 521 G HN 0.647 nan 8.290 nan 0.000 0.428 522 T N 2.584 117.057 114.554 -0.135 0.000 2.902 522 T HA 0.120 4.470 4.350 -0.000 0.000 0.301 522 T C 1.141 175.911 174.700 0.117 0.000 1.012 522 T CA 0.351 62.355 62.100 -0.160 0.000 1.151 522 T CB 0.538 69.049 68.868 -0.594 0.000 0.946 522 T HN 0.440 nan 8.240 nan 0.000 0.542 523 T N 5.372 119.927 114.554 0.002 0.000 2.946 523 T HA 0.202 4.552 4.350 -0.000 0.000 0.311 523 T C 0.276 174.973 174.700 -0.004 0.000 1.063 523 T CA -0.024 62.038 62.100 -0.062 0.000 1.139 523 T CB -0.063 68.745 68.868 -0.100 0.000 0.994 523 T HN 0.847 nan 8.240 nan 0.000 0.547 524 H N 0.176 119.100 119.070 -0.243 0.000 2.902 524 H HA 0.461 5.017 4.556 -0.000 0.000 0.297 524 H C -1.379 173.802 175.328 -0.246 0.000 1.406 524 H CA -1.082 54.729 56.048 -0.395 0.000 1.134 524 H CB 1.056 30.179 29.762 -1.065 0.000 1.833 524 H HN 0.498 nan 8.280 nan 0.000 0.527 525 Q N 0.094 119.779 119.800 -0.192 0.000 2.351 525 Q HA 0.364 4.703 4.340 -0.000 0.000 0.273 525 Q C -0.926 174.978 176.000 -0.159 0.000 1.077 525 Q CA -0.947 54.788 55.803 -0.113 0.000 0.843 525 Q CB 2.628 31.363 28.738 -0.005 0.000 1.367 525 Q HN 0.516 nan 8.270 nan 0.000 0.449 526 H N 1.378 120.430 119.070 -0.030 0.000 2.646 526 H HA 0.456 5.011 4.556 -0.000 0.000 0.328 526 H C -0.906 174.234 175.328 -0.314 0.000 0.998 526 H CA -0.300 55.654 56.048 -0.157 0.000 1.225 526 H CB 0.922 30.637 29.762 -0.078 0.000 1.457 526 H HN 0.440 nan 8.280 nan 0.000 0.505 527 I N 4.733 125.117 120.570 -0.311 0.000 2.439 527 I HA 0.178 4.348 4.170 -0.000 0.000 0.283 527 I C -0.963 175.023 176.117 -0.218 0.000 1.023 527 I CA -0.637 60.563 61.300 -0.167 0.000 1.100 527 I CB 1.014 38.989 38.000 -0.042 0.000 1.238 527 I HN 0.385 nan 8.210 nan 0.000 0.445 528 Y N 4.215 124.596 120.300 0.135 0.000 2.387 528 Y HA 0.478 5.028 4.550 -0.000 0.000 0.336 528 Y C 0.102 175.942 175.900 -0.099 0.000 1.067 528 Y CA -0.857 57.230 58.100 -0.022 0.000 1.114 528 Y CB 1.423 39.843 38.460 -0.068 0.000 1.208 528 Y HN 0.495 nan 8.280 nan 0.000 0.458 529 N N 1.509 120.112 118.700 -0.162 0.000 2.352 529 N HA 0.518 5.258 4.740 -0.000 0.000 0.291 529 N C -2.113 173.192 175.510 -0.342 0.000 1.040 529 N CA -0.443 52.531 53.050 -0.126 0.000 0.864 529 N CB 0.879 39.281 38.487 -0.142 0.000 1.440 529 N HN 0.368 nan 8.380 nan 0.000 0.483 530 F N 1.525 121.581 119.950 0.176 0.000 2.436 530 F HA 0.462 4.989 4.527 -0.000 0.000 0.340 530 F C 0.735 176.554 175.800 0.032 0.000 1.113 530 F CA -0.820 57.242 58.000 0.102 0.000 1.022 530 F CB 1.478 40.499 39.000 0.035 0.000 1.128 530 F HN 0.285 nan 8.300 nan 0.000 0.466 531 R N 4.575 125.098 120.500 0.039 0.000 2.229 531 R HA 0.611 4.951 4.340 -0.000 0.000 0.332 531 R C -1.758 174.378 176.300 -0.273 0.000 0.989 531 R CA -0.401 55.412 56.100 -0.479 0.000 0.842 531 R CB 0.379 30.237 30.300 -0.736 0.000 1.119 531 R HN 0.802 nan 8.270 nan 0.000 0.456 532 L N 4.568 125.614 121.223 -0.295 0.000 2.366 532 L HA 0.249 4.589 4.340 -0.000 0.000 0.266 532 L C -0.454 176.333 176.870 -0.138 0.000 1.010 532 L CA -0.778 53.986 54.840 -0.126 0.000 0.879 532 L CB 1.628 43.673 42.059 -0.023 0.000 1.228 532 L HN 0.554 nan 8.230 nan 0.000 0.439 533 D N 4.288 124.625 120.400 -0.105 0.000 2.608 533 D HA 0.187 4.827 4.640 -0.000 0.000 0.224 533 D C -0.002 176.329 176.300 0.051 0.000 1.123 533 D CA -0.005 53.987 54.000 -0.013 0.000 1.030 533 D CB 0.132 40.971 40.800 0.066 0.000 1.093 533 D HN 0.315 nan 8.370 nan 0.000 0.497 534 L N 1.916 123.155 121.223 0.026 0.000 2.416 534 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 534 L C 0.279 177.200 176.870 0.084 0.000 1.161 534 L CA 0.125 54.986 54.840 0.035 0.000 0.845 534 L CB 0.656 42.710 42.059 -0.008 0.000 1.119 534 L HN 0.109 nan 8.230 nan 0.000 0.464 535 D N 2.142 122.618 120.400 0.127 0.000 2.404 535 D HA 0.184 4.824 4.640 -0.000 0.000 0.267 535 D C -0.593 175.760 176.300 0.089 0.000 1.194 535 D CA -0.224 53.846 54.000 0.117 0.000 0.910 535 D CB 1.624 42.544 40.800 0.200 0.000 1.090 535 D HN 0.012 nan 8.370 nan 0.000 0.511 536 V N 2.874 122.848 119.914 0.100 0.000 2.393 536 V HA 0.005 4.125 4.120 -0.000 0.000 0.257 536 V C 0.951 177.165 176.094 0.200 0.000 1.040 536 V CA 0.154 62.574 62.300 0.199 0.000 1.097 536 V CB 0.157 32.127 31.823 0.246 0.000 1.101 536 V HN 0.572 nan 8.190 nan 0.000 0.479 537 D N 3.455 123.999 120.400 0.240 0.000 2.983 537 D HA -0.141 4.499 4.640 -0.000 0.000 0.225 537 D C 0.356 176.615 176.300 -0.068 0.000 1.174 537 D CA 1.791 55.822 54.000 0.052 0.000 0.831 537 D CB -0.968 39.766 40.800 -0.109 0.000 1.104 537 D HN 1.186 nan 8.370 nan 0.000 0.421 538 G N -1.708 107.037 108.800 -0.091 0.000 2.350 538 G HA2 0.196 4.156 3.960 -0.000 0.000 0.304 538 G HA3 0.196 4.156 3.960 -0.000 0.000 0.304 538 G C 0.126 174.970 174.900 -0.093 0.000 1.421 538 G CA 0.158 45.173 45.100 -0.142 0.000 0.934 538 G HN 0.003 nan 8.290 nan 0.000 0.632 539 E N -0.096 120.045 120.200 -0.099 0.000 2.046 539 E HA 0.006 4.355 4.350 -0.000 0.000 0.190 539 E C 1.045 177.632 176.600 -0.021 0.000 0.982 539 E CA 0.771 57.138 56.400 -0.055 0.000 0.800 539 E CB 0.015 29.674 29.700 -0.069 0.000 0.756 539 E HN 0.385 nan 8.360 nan 0.000 0.449 540 N N 2.119 120.808 118.700 -0.019 0.000 2.399 540 N HA 0.079 4.819 4.740 -0.000 0.000 0.259 540 N C -0.778 174.740 175.510 0.013 0.000 1.160 540 N CA 0.183 53.233 53.050 0.001 0.000 0.946 540 N CB 0.392 38.877 38.487 -0.004 0.000 1.156 540 N HN 0.087 nan 8.380 nan 0.000 0.489 541 N N -0.059 118.658 118.700 0.028 0.000 2.629 541 N HA 0.480 5.220 4.740 -0.000 0.000 0.279 541 N C -0.857 174.678 175.510 0.042 0.000 1.344 541 N CA -0.477 52.597 53.050 0.039 0.000 0.789 541 N CB 1.426 39.945 38.487 0.054 0.000 1.508 541 N HN 0.163 nan 8.380 nan 0.000 0.516 542 S N 0.174 115.899 115.700 0.042 0.000 2.569 542 S HA 0.491 4.960 4.470 -0.000 0.000 0.280 542 S C -1.261 173.358 174.600 0.032 0.000 1.111 542 S CA -0.554 57.669 58.200 0.038 0.000 0.887 542 S CB 1.928 65.146 63.200 0.030 0.000 1.095 542 S HN 0.414 nan 8.310 nan 0.000 0.476 543 L N 3.245 124.486 121.223 0.030 0.000 2.265 543 L HA 0.647 4.987 4.340 -0.000 0.000 0.288 543 L C -1.220 175.633 176.870 -0.029 0.000 1.058 543 L CA -0.083 54.765 54.840 0.013 0.000 0.809 543 L CB 0.661 42.743 42.059 0.038 0.000 1.179 543 L HN 0.459 nan 8.230 nan 0.000 0.429 544 V N 5.111 124.978 119.914 -0.078 0.000 2.540 544 V HA 0.806 4.925 4.120 -0.000 0.000 0.302 544 V C 0.156 176.096 176.094 -0.256 0.000 1.035 544 V CA -0.565 61.643 62.300 -0.154 0.000 0.873 544 V CB 1.382 33.127 31.823 -0.130 0.000 0.992 544 V HN 0.932 nan 8.190 nan 0.000 0.428 545 A N 5.835 128.387 122.820 -0.447 0.000 2.312 545 A HA 0.933 5.252 4.320 -0.000 0.000 0.326 545 A C -0.461 176.815 177.584 -0.515 0.000 1.172 545 A CA -0.577 51.131 52.037 -0.549 0.000 0.821 545 A CB 0.925 19.323 19.000 -1.002 0.000 1.166 545 A HN 0.837 nan 8.150 nan 0.000 0.493 546 M N 2.720 122.124 119.600 -0.327 0.000 2.007 546 M HA 0.245 4.725 4.480 -0.000 0.000 0.285 546 M C -1.616 174.616 176.300 -0.113 0.000 0.893 546 M CA -0.370 54.810 55.300 -0.201 0.000 0.925 546 M CB 1.563 34.045 32.600 -0.197 0.000 1.568 546 M HN 0.547 nan 8.290 nan 0.000 0.414 547 D N 4.998 125.381 120.400 -0.028 0.000 2.373 547 D HA 0.371 5.011 4.640 -0.000 0.000 0.227 547 D C -2.449 173.869 176.300 0.030 0.000 1.091 547 D CA -1.419 52.590 54.000 0.015 0.000 0.840 547 D CB 1.314 42.167 40.800 0.089 0.000 1.060 547 D HN 0.151 nan 8.370 nan 0.000 0.502 548 P HA 0.039 nan 4.420 nan 0.000 0.267 548 P C -0.374 176.943 177.300 0.027 0.000 1.205 548 P CA -0.268 62.849 63.100 0.029 0.000 0.765 548 P CB 0.791 32.509 31.700 0.031 0.000 0.828 549 V N 1.087 121.019 119.914 0.030 0.000 3.130 549 V HA 0.602 4.722 4.120 -0.000 0.000 0.310 549 V C -0.629 175.478 176.094 0.022 0.000 1.158 549 V CA -1.141 61.174 62.300 0.025 0.000 1.029 549 V CB 2.160 34.000 31.823 0.029 0.000 1.057 549 V HN 0.114 nan 8.190 nan 0.000 0.436 550 V N 2.048 121.972 119.914 0.017 0.000 2.370 550 V HA 0.554 4.674 4.120 -0.000 0.000 0.279 550 V C 0.101 176.203 176.094 0.013 0.000 1.029 550 V CA -0.367 61.941 62.300 0.014 0.000 0.870 550 V CB 1.068 32.897 31.823 0.011 0.000 0.984 550 V HN 0.942 nan 8.190 nan 0.000 0.451 551 K N 5.008 125.416 120.400 0.014 0.000 2.385 551 K HA 0.540 4.860 4.320 -0.000 0.000 0.248 551 K C -2.829 173.777 176.600 0.010 0.000 0.955 551 K CA -2.055 54.239 56.287 0.012 0.000 0.816 551 K CB 2.482 34.990 32.500 0.014 0.000 1.250 551 K HN 0.292 nan 8.250 nan 0.000 0.434 552 P HA -0.084 nan 4.420 nan 0.000 0.266 552 P C -0.825 176.480 177.300 0.007 0.000 1.195 552 P CA 0.130 63.234 63.100 0.007 0.000 0.768 552 P CB 0.322 32.025 31.700 0.005 0.000 0.838 553 N N 1.529 120.233 118.700 0.007 0.000 2.497 553 N HA 0.100 4.840 4.740 -0.000 0.000 0.271 553 N C 0.366 175.880 175.510 0.006 0.000 1.142 553 N CA -0.116 52.938 53.050 0.007 0.000 0.965 553 N CB 0.456 38.947 38.487 0.006 0.000 1.077 553 N HN 0.368 nan 8.380 nan 0.000 0.462 554 T N -0.241 114.317 114.554 0.006 0.000 3.091 554 T HA 0.288 4.638 4.350 -0.000 0.000 0.277 554 T C 0.900 175.603 174.700 0.005 0.000 0.996 554 T CA -0.249 61.854 62.100 0.005 0.000 0.897 554 T CB 0.429 69.301 68.868 0.006 0.000 1.109 554 T HN 0.437 nan 8.240 nan 0.000 0.534 555 A N 0.909 123.732 122.820 0.005 0.000 2.308 555 A HA 0.747 5.067 4.320 -0.000 0.000 0.217 555 A C 1.405 178.991 177.584 0.004 0.000 1.216 555 A CA 0.227 52.267 52.037 0.005 0.000 0.864 555 A CB -0.709 18.294 19.000 0.005 0.000 0.902 555 A HN 1.428 nan 8.150 nan 0.000 0.499 556 G N -2.185 106.617 108.800 0.003 0.000 2.655 556 G HA2 0.482 4.442 3.960 -0.000 0.000 0.680 556 G HA3 0.482 4.442 3.960 -0.000 0.000 0.680 556 G C 0.683 175.585 174.900 0.003 0.000 1.302 556 G CA -0.160 44.941 45.100 0.003 0.000 0.872 556 G HN 2.448 nan 8.290 nan 0.000 0.540 557 G N -1.198 107.603 108.800 0.002 0.000 2.829 557 G HA2 0.265 4.225 3.960 -0.000 0.000 0.628 557 G HA3 0.265 4.225 3.960 -0.000 0.000 0.628 557 G C -0.675 174.227 174.900 0.002 0.000 1.412 557 G CA 0.523 45.624 45.100 0.002 0.000 0.864 557 G HN 1.452 nan 8.290 nan 0.000 0.544 558 P HA 0.006 nan 4.420 nan 0.000 0.220 558 P C 1.012 178.314 177.300 0.003 0.000 1.148 558 P CA 0.712 63.813 63.100 0.003 0.000 0.803 558 P CB 0.089 31.791 31.700 0.002 0.000 0.782 559 R N 0.247 120.749 120.500 0.003 0.000 2.537 559 R HA 0.081 4.421 4.340 -0.000 0.000 0.280 559 R C 1.479 177.782 176.300 0.004 0.000 1.058 559 R CA 0.837 56.939 56.100 0.004 0.000 1.057 559 R CB -0.028 30.275 30.300 0.005 0.000 0.973 559 R HN 0.214 nan 8.270 nan 0.000 0.438 560 T N -2.442 112.114 114.554 0.004 0.000 3.051 560 T HA 0.020 4.370 4.350 -0.000 0.000 0.255 560 T C 0.910 175.613 174.700 0.005 0.000 1.085 560 T CA 0.392 62.495 62.100 0.004 0.000 1.109 560 T CB 0.183 69.054 68.868 0.004 0.000 0.921 560 T HN 0.551 nan 8.240 nan 0.000 0.488 561 S N 0.613 116.317 115.700 0.006 0.000 2.685 561 S HA 0.752 5.222 4.470 -0.000 0.000 0.282 561 S C -0.639 173.966 174.600 0.008 0.000 1.159 561 S CA -0.320 57.885 58.200 0.007 0.000 0.833 561 S CB 1.921 65.126 63.200 0.007 0.000 1.151 561 S HN 0.746 nan 8.310 nan 0.000 0.485 562 T N -1.837 112.723 114.554 0.010 0.000 2.841 562 T HA 0.646 4.996 4.350 -0.000 0.000 0.296 562 T C -0.917 173.792 174.700 0.015 0.000 1.166 562 T CA -0.959 61.148 62.100 0.012 0.000 1.007 562 T CB 1.218 70.094 68.868 0.012 0.000 1.253 562 T HN 0.678 nan 8.240 nan 0.000 0.511 563 M N 2.188 121.798 119.600 0.017 0.000 2.088 563 M HA 0.424 4.903 4.480 -0.000 0.000 0.346 563 M C -0.162 176.154 176.300 0.027 0.000 1.111 563 M CA -0.438 54.876 55.300 0.022 0.000 1.017 563 M CB 1.255 33.868 32.600 0.023 0.000 1.568 563 M HN 0.607 nan 8.290 nan 0.000 0.445 564 Q N 1.527 121.345 119.800 0.030 0.000 2.668 564 Q HA 0.778 5.118 4.340 -0.000 0.000 0.298 564 Q C -1.322 174.703 176.000 0.043 0.000 1.071 564 Q CA -1.091 54.733 55.803 0.035 0.000 0.789 564 Q CB 3.238 31.994 28.738 0.031 0.000 1.497 564 Q HN 0.455 nan 8.270 nan 0.000 0.460 565 V N 1.422 121.365 119.914 0.049 0.000 2.540 565 V HA 0.298 4.417 4.120 -0.000 0.000 0.302 565 V C -0.669 175.464 176.094 0.064 0.000 1.035 565 V CA -0.849 61.483 62.300 0.054 0.000 0.873 565 V CB 1.861 33.719 31.823 0.058 0.000 0.992 565 V HN 0.617 nan 8.190 nan 0.000 0.428 566 N N 4.133 122.883 118.700 0.084 0.000 2.439 566 N HA 0.260 5.000 4.740 -0.000 0.000 0.249 566 N C -0.645 174.969 175.510 0.174 0.000 1.003 566 N CA -0.067 53.068 53.050 0.142 0.000 0.942 566 N CB 1.513 40.103 38.487 0.172 0.000 1.115 566 N HN 0.812 nan 8.380 nan 0.000 0.505 567 Q N 3.703 123.593 119.800 0.150 0.000 2.309 567 Q HA 0.418 4.758 4.340 -0.000 0.000 0.264 567 Q C -1.645 174.458 176.000 0.171 0.000 1.008 567 Q CA -0.699 55.131 55.803 0.046 0.000 0.853 567 Q CB 1.207 29.952 28.738 0.012 0.000 1.314 567 Q HN 0.583 nan 8.270 nan 0.000 0.448 568 Y N -0.338 119.959 120.300 -0.005 0.000 2.620 568 Y HA 0.463 5.013 4.550 -0.000 0.000 0.331 568 Y C -1.622 174.279 175.900 0.001 0.000 1.173 568 Y CA -1.463 56.638 58.100 0.001 0.000 1.076 568 Y CB 0.498 38.959 38.460 0.002 0.000 1.336 568 Y HN 0.549 nan 8.280 nan 0.000 0.459 569 N N 1.333 120.113 118.700 0.133 0.000 2.513 569 N HA 0.500 5.240 4.740 -0.000 0.000 0.274 569 N C -1.160 174.428 175.510 0.130 0.000 1.189 569 N CA -0.345 52.742 53.050 0.062 0.000 0.975 569 N CB 1.016 39.539 38.487 0.060 0.000 1.157 569 N HN 0.707 nan 8.380 nan 0.000 0.465 570 I N 0.898 121.510 120.570 0.070 0.000 2.337 570 I HA 0.247 4.417 4.170 -0.000 0.000 0.285 570 I C 1.340 177.505 176.117 0.080 0.000 1.041 570 I CA -0.319 61.042 61.300 0.101 0.000 1.199 570 I CB 1.263 39.307 38.000 0.074 0.000 1.370 570 I HN 0.716 nan 8.210 nan 0.000 0.470 571 G N 5.932 114.782 108.800 0.083 0.000 2.572 571 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.216 571 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.216 571 G C 0.401 175.343 174.900 0.069 0.000 1.133 571 G CA 0.083 45.225 45.100 0.070 0.000 0.791 571 G HN 0.712 nan 8.290 nan 0.000 0.538 572 N N -1.679 117.064 118.700 0.072 0.000 2.647 572 N HA 0.209 4.949 4.740 -0.000 0.000 0.266 572 N C 0.100 175.662 175.510 0.085 0.000 1.373 572 N CA -0.625 52.471 53.050 0.077 0.000 0.807 572 N CB 1.189 39.717 38.487 0.068 0.000 1.513 572 N HN -0.058 nan 8.380 nan 0.000 0.505 573 E N 0.022 120.283 120.200 0.102 0.000 2.085 573 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 573 E C 1.345 178.003 176.600 0.097 0.000 0.994 573 E CA 1.532 58.007 56.400 0.125 0.000 0.801 573 E CB -0.008 29.785 29.700 0.156 0.000 0.743 573 E HN 0.497 nan 8.360 nan 0.000 0.453 574 Q N 0.733 120.577 119.800 0.075 0.000 2.084 574 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 574 Q C 1.686 177.689 176.000 0.004 0.000 0.978 574 Q CA 1.186 57.013 55.803 0.041 0.000 0.844 574 Q CB -0.201 28.562 28.738 0.042 0.000 0.898 574 Q HN 0.321 nan 8.270 nan 0.000 0.426 575 D N 0.413 120.828 120.400 0.025 0.000 2.224 575 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 575 D C 1.577 177.884 176.300 0.011 0.000 0.965 575 D CA 1.069 55.083 54.000 0.022 0.000 0.852 575 D CB -0.051 40.780 40.800 0.051 0.000 0.947 575 D HN 0.227 nan 8.370 nan 0.000 0.494 576 A N 0.499 123.333 122.820 0.023 0.000 2.119 576 A HA 0.220 4.540 4.320 -0.000 0.000 0.217 576 A C 1.407 178.949 177.584 -0.070 0.000 1.153 576 A CA 0.738 52.791 52.037 0.026 0.000 0.692 576 A CB -0.168 18.886 19.000 0.089 0.000 0.799 576 A HN 0.159 nan 8.150 nan 0.000 0.458 577 A N 0.901 123.607 122.820 -0.190 0.000 2.527 577 A HA 0.532 4.851 4.320 -0.000 0.000 0.313 577 A C 0.100 177.404 177.584 -0.465 0.000 1.410 577 A CA -0.288 51.391 52.037 -0.596 0.000 1.060 577 A CB -0.481 18.069 19.000 -0.749 0.000 1.137 577 A HN 0.681 nan 8.150 nan 0.000 0.542 578 Q N 1.550 121.110 119.800 -0.401 0.000 2.648 578 Q HA 0.531 4.871 4.340 -0.000 0.000 0.300 578 Q C -1.153 174.785 176.000 -0.104 0.000 0.954 578 Q CA -1.354 54.330 55.803 -0.198 0.000 0.757 578 Q CB 0.953 29.649 28.738 -0.070 0.000 1.482 578 Q HN 0.279 nan 8.270 nan 0.000 0.437 579 K N 0.610 120.994 120.400 -0.027 0.000 2.258 579 K HA 0.296 4.616 4.320 -0.000 0.000 0.264 579 K C -1.026 175.656 176.600 0.137 0.000 1.007 579 K CA -0.129 56.186 56.287 0.047 0.000 0.941 579 K CB 0.389 32.905 32.500 0.026 0.000 0.966 579 K HN 0.580 nan 8.250 nan 0.000 0.480 580 F N 2.378 122.347 119.950 0.033 0.000 2.388 580 F HA 0.140 4.667 4.527 -0.000 0.000 0.358 580 F C -0.219 175.625 175.800 0.073 0.000 1.122 580 F CA -1.442 56.595 58.000 0.062 0.000 1.056 580 F CB 0.881 39.948 39.000 0.111 0.000 1.155 580 F HN 0.356 nan 8.300 nan 0.000 0.461 581 D N 8.787 128.823 120.400 -0.606 0.000 2.317 581 D HA 0.302 4.942 4.640 -0.000 0.000 0.234 581 D C -1.913 173.815 176.300 -0.952 0.000 1.112 581 D CA -2.612 51.094 54.000 -0.489 0.000 0.840 581 D CB 2.074 42.709 40.800 -0.276 0.000 1.078 581 D HN 0.274 nan 8.370 nan 0.000 0.486 582 P HA -0.007 nan 4.420 nan 0.000 0.228 582 P C 1.126 178.314 177.300 -0.187 0.000 1.151 582 P CA 0.502 63.398 63.100 -0.340 0.000 0.770 582 P CB 0.219 32.014 31.700 0.157 0.000 0.786 583 G N -0.412 108.278 108.800 -0.182 0.000 2.813 583 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.209 583 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.209 583 G C 0.677 175.519 174.900 -0.097 0.000 1.150 583 G CA 0.542 45.589 45.100 -0.088 0.000 0.785 583 G HN 0.427 nan 8.290 nan 0.000 0.535 584 T N -1.835 112.605 114.554 -0.191 0.000 2.937 584 T HA 0.727 5.077 4.350 -0.000 0.000 0.283 584 T C -0.371 174.289 174.700 -0.067 0.000 1.012 584 T CA -0.848 61.177 62.100 -0.126 0.000 0.997 584 T CB 2.262 71.046 68.868 -0.141 0.000 1.136 584 T HN -0.079 nan 8.240 nan 0.000 0.551 585 I N 0.778 121.305 120.570 -0.073 0.000 2.569 585 I HA 0.552 4.722 4.170 -0.000 0.000 0.296 585 I C -0.142 175.906 176.117 -0.115 0.000 1.028 585 I CA -1.143 60.093 61.300 -0.106 0.000 1.082 585 I CB 1.869 39.688 38.000 -0.302 0.000 1.264 585 I HN 0.409 nan 8.210 nan 0.000 0.429 586 R N 6.648 127.113 120.500 -0.058 0.000 2.502 586 R HA 0.654 4.994 4.340 -0.000 0.000 0.300 586 R C -1.458 174.767 176.300 -0.125 0.000 0.984 586 R CA -0.716 55.348 56.100 -0.060 0.000 0.882 586 R CB 1.943 32.292 30.300 0.082 0.000 1.180 586 R HN 0.542 nan 8.270 nan 0.000 0.444 587 L N 3.020 124.139 121.223 -0.173 0.000 2.342 587 L HA 0.563 4.903 4.340 -0.000 0.000 0.271 587 L C -0.413 176.433 176.870 -0.042 0.000 1.008 587 L CA -1.292 53.461 54.840 -0.144 0.000 0.818 587 L CB 1.894 43.803 42.059 -0.249 0.000 1.296 587 L HN 0.248 nan 8.230 nan 0.000 0.427 588 L N 1.954 123.195 121.223 0.030 0.000 2.283 588 L HA 0.465 4.805 4.340 -0.000 0.000 0.281 588 L C -0.356 176.570 176.870 0.093 0.000 1.033 588 L CA 0.471 55.352 54.840 0.068 0.000 0.848 588 L CB 1.014 43.129 42.059 0.093 0.000 1.226 588 L HN 0.544 nan 8.230 nan 0.000 0.429 589 S N 3.362 119.100 115.700 0.063 0.000 2.593 589 S HA 0.486 4.956 4.470 -0.000 0.000 0.297 589 S C -0.496 174.145 174.600 0.068 0.000 1.112 589 S CA -0.722 57.523 58.200 0.075 0.000 1.043 589 S CB 1.373 64.595 63.200 0.036 0.000 1.054 589 S HN 0.617 nan 8.310 nan 0.000 0.516 590 N N 2.789 121.528 118.700 0.066 0.000 2.546 590 N HA 0.272 5.012 4.740 -0.000 0.000 0.238 590 N C -2.018 173.501 175.510 0.016 0.000 0.984 590 N CA -2.097 50.974 53.050 0.035 0.000 0.935 590 N CB 1.311 39.812 38.487 0.023 0.000 1.122 590 N HN 0.250 nan 8.380 nan 0.000 0.510 591 P HA 0.024 nan 4.420 nan 0.000 0.242 591 P C -0.030 177.269 177.300 -0.002 0.000 1.197 591 P CA 0.579 63.684 63.100 0.009 0.000 0.765 591 P CB 0.531 32.239 31.700 0.014 0.000 0.936 592 N N -0.202 118.491 118.700 -0.011 0.000 2.254 592 N HA 0.092 4.832 4.740 -0.000 0.000 0.190 592 N C 0.421 175.909 175.510 -0.037 0.000 1.107 592 N CA 0.326 53.363 53.050 -0.022 0.000 0.869 592 N CB 0.810 39.282 38.487 -0.025 0.000 0.983 592 N HN 0.284 nan 8.380 nan 0.000 0.487 593 K N 0.658 121.031 120.400 -0.046 0.000 2.469 593 K HA 0.415 4.735 4.320 -0.000 0.000 0.254 593 K C -0.800 175.757 176.600 -0.072 0.000 0.939 593 K CA -0.446 55.797 56.287 -0.073 0.000 0.812 593 K CB 2.558 34.992 32.500 -0.111 0.000 1.301 593 K HN -0.069 nan 8.250 nan 0.000 0.433 594 E N 0.640 120.793 120.200 -0.079 0.000 2.392 594 E HA 0.170 4.519 4.350 -0.000 0.000 0.269 594 E C -1.061 175.484 176.600 -0.091 0.000 0.924 594 E CA -0.944 55.417 56.400 -0.065 0.000 0.784 594 E CB 2.154 31.830 29.700 -0.039 0.000 1.292 594 E HN 0.681 nan 8.360 nan 0.000 0.447 595 N N -0.182 118.471 118.700 -0.078 0.000 2.418 595 N HA 0.164 4.904 4.740 -0.000 0.000 0.283 595 N C 0.869 176.346 175.510 -0.055 0.000 1.267 595 N CA -0.717 52.282 53.050 -0.085 0.000 0.975 595 N CB 1.103 39.546 38.487 -0.075 0.000 1.167 595 N HN 0.341 nan 8.380 nan 0.000 0.581 596 R N -0.962 119.510 120.500 -0.047 0.000 2.170 596 R HA -0.098 4.242 4.340 -0.000 0.000 0.242 596 R C 0.858 177.141 176.300 -0.030 0.000 1.145 596 R CA 1.616 57.695 56.100 -0.035 0.000 0.984 596 R CB -0.167 30.116 30.300 -0.029 0.000 0.869 596 R HN 0.625 nan 8.270 nan 0.000 0.455 597 M N -0.950 118.632 119.600 -0.029 0.000 2.494 597 M HA 0.256 4.736 4.480 -0.000 0.000 0.232 597 M C 0.918 177.210 176.300 -0.015 0.000 1.137 597 M CA 0.624 55.911 55.300 -0.023 0.000 1.012 597 M CB 1.080 33.664 32.600 -0.026 0.000 1.567 597 M HN 0.350 nan 8.290 nan 0.000 0.486 598 G N 0.455 109.245 108.800 -0.017 0.000 2.157 598 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 598 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 598 G C -0.001 174.900 174.900 0.002 0.000 0.979 598 G CA -0.036 45.058 45.100 -0.010 0.000 0.650 598 G HN 0.516 nan 8.290 nan 0.000 0.529 599 N N 1.528 120.231 118.700 0.005 0.000 2.479 599 N HA 0.533 5.273 4.740 -0.000 0.000 0.285 599 N C -2.697 172.831 175.510 0.029 0.000 1.075 599 N CA -1.621 51.449 53.050 0.034 0.000 0.967 599 N CB 1.447 39.970 38.487 0.059 0.000 1.137 599 N HN -0.002 nan 8.380 nan 0.000 0.472 600 P HA -0.046 nan 4.420 nan 0.000 0.267 600 P C -0.470 176.863 177.300 0.055 0.000 1.205 600 P CA -0.325 62.795 63.100 0.034 0.000 0.765 600 P CB 0.388 32.113 31.700 0.042 0.000 0.828 601 V N 1.779 121.694 119.914 0.003 0.000 2.599 601 V HA 0.399 4.519 4.120 -0.000 0.000 0.300 601 V C 0.048 176.245 176.094 0.172 0.000 1.034 601 V CA 0.433 62.738 62.300 0.009 0.000 1.115 601 V CB -0.112 31.568 31.823 -0.238 0.000 0.934 601 V HN 0.493 nan 8.190 nan 0.000 0.485 602 S N 2.977 118.847 115.700 0.283 0.000 2.671 602 S HA 0.754 5.224 4.470 -0.000 0.000 0.277 602 S C -1.495 173.272 174.600 0.279 0.000 1.165 602 S CA -0.522 57.850 58.200 0.287 0.000 0.822 602 S CB 1.690 65.006 63.200 0.194 0.000 1.150 602 S HN 0.742 nan 8.310 nan 0.000 0.479 603 Y N 1.555 121.930 120.300 0.125 0.000 2.391 603 Y HA 0.437 4.987 4.550 -0.000 0.000 0.341 603 Y C -0.045 175.878 175.900 0.037 0.000 0.965 603 Y CA -0.469 57.672 58.100 0.069 0.000 1.067 603 Y CB 1.754 40.216 38.460 0.004 0.000 1.199 603 Y HN 0.605 nan 8.280 nan 0.000 0.450 604 Q N 4.610 124.474 119.800 0.107 0.000 2.294 604 Q HA 0.502 4.842 4.340 -0.000 0.000 0.257 604 Q C -1.338 174.693 176.000 0.052 0.000 0.955 604 Q CA -0.386 55.431 55.803 0.023 0.000 0.936 604 Q CB 0.625 29.413 28.738 0.083 0.000 1.188 604 Q HN 0.699 nan 8.270 nan 0.000 0.420 605 I N 5.715 126.288 120.570 0.004 0.000 2.315 605 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 605 I C -0.319 175.700 176.117 -0.162 0.000 1.006 605 I CA -0.398 60.878 61.300 -0.040 0.000 1.265 605 I CB 1.084 39.067 38.000 -0.030 0.000 1.387 605 I HN 0.577 nan 8.210 nan 0.000 0.475 606 I N 8.476 128.928 120.570 -0.197 0.000 2.537 606 I HA 0.251 4.420 4.170 -0.000 0.000 0.276 606 I C -1.844 174.059 176.117 -0.356 0.000 1.063 606 I CA -1.496 59.598 61.300 -0.344 0.000 1.144 606 I CB 1.390 39.348 38.000 -0.071 0.000 1.252 606 I HN 0.353 nan 8.210 nan 0.000 0.480 607 P HA -0.148 nan 4.420 nan 0.000 0.223 607 P C -0.295 177.048 177.300 0.072 0.000 1.151 607 P CA 1.181 64.159 63.100 -0.203 0.000 0.787 607 P CB -0.009 31.573 31.700 -0.198 0.000 0.788 608 Y N -0.136 120.122 120.300 -0.070 0.000 2.402 608 Y HA 0.617 5.167 4.550 -0.000 0.000 0.325 608 Y C -0.021 176.003 175.900 0.207 0.000 1.009 608 Y CA -1.571 56.641 58.100 0.187 0.000 1.278 608 Y CB 0.663 39.322 38.460 0.332 0.000 1.105 608 Y HN -0.169 nan 8.280 nan 0.000 0.476 609 A N 3.686 126.366 122.820 -0.233 0.000 2.535 609 A HA 0.731 5.051 4.320 -0.000 0.000 0.273 609 A C 0.736 178.120 177.584 -0.334 0.000 1.267 609 A CA 0.260 52.141 52.037 -0.259 0.000 0.940 609 A CB -0.579 18.369 19.000 -0.086 0.000 1.101 609 A HN 1.545 nan 8.150 nan 0.000 0.521 610 G N -2.259 106.158 108.800 -0.638 0.000 2.392 610 G HA2 0.528 4.488 3.960 -0.000 0.000 0.677 610 G HA3 0.528 4.488 3.960 -0.000 0.000 0.677 610 G C -0.282 174.790 174.900 0.286 0.000 1.334 610 G CA -0.236 44.763 45.100 -0.170 0.000 0.961 610 G HN 1.872 nan 8.290 nan 0.000 0.616 611 G N -2.153 106.848 108.800 0.336 0.000 2.489 611 G HA2 0.732 4.692 3.960 -0.000 0.000 0.291 611 G HA3 0.732 4.692 3.960 -0.000 0.000 0.291 611 G C 0.464 175.488 174.900 0.206 0.000 1.487 611 G CA 0.939 46.187 45.100 0.246 0.000 0.795 611 G HN 1.972 nan 8.290 nan 0.000 0.513 612 T N -2.712 111.916 114.554 0.124 0.000 3.060 612 T HA 0.312 4.662 4.350 -0.000 0.000 0.249 612 T C 0.649 175.385 174.700 0.061 0.000 1.079 612 T CA 0.519 62.666 62.100 0.078 0.000 1.013 612 T CB -0.119 68.773 68.868 0.040 0.000 0.975 612 T HN 0.541 nan 8.240 nan 0.000 0.518 613 H N 1.053 120.138 119.070 0.026 0.000 2.676 613 H HA 0.486 5.042 4.556 -0.000 0.000 0.352 613 H C -2.500 172.849 175.328 0.035 0.000 1.193 613 H CA -2.808 53.229 56.048 -0.018 0.000 1.243 613 H CB 1.415 31.123 29.762 -0.090 0.000 1.751 613 H HN 0.051 nan 8.280 nan 0.000 0.567 614 P HA -0.037 nan 4.420 nan 0.000 0.266 614 P C -0.986 176.360 177.300 0.076 0.000 1.195 614 P CA -0.065 63.084 63.100 0.081 0.000 0.768 614 P CB 0.564 32.274 31.700 0.018 0.000 0.838 615 V N 1.863 121.800 119.914 0.039 0.000 2.546 615 V HA 0.447 4.567 4.120 -0.000 0.000 0.284 615 V C 0.654 176.718 176.094 -0.050 0.000 1.050 615 V CA -0.774 61.505 62.300 -0.033 0.000 0.981 615 V CB 0.687 32.362 31.823 -0.245 0.000 0.990 615 V HN 0.654 nan 8.190 nan 0.000 0.474 616 A N 4.325 127.130 122.820 -0.024 0.000 2.362 616 A HA 0.415 4.735 4.320 -0.000 0.000 0.276 616 A C 1.021 178.591 177.584 -0.024 0.000 1.153 616 A CA -0.460 51.573 52.037 -0.007 0.000 0.813 616 A CB 0.250 19.268 19.000 0.031 0.000 1.081 616 A HN 0.888 nan 8.150 nan 0.000 0.507 617 K N 1.954 122.344 120.400 -0.016 0.000 2.361 617 K HA 0.183 4.503 4.320 -0.000 0.000 0.196 617 K C 0.918 177.538 176.600 0.033 0.000 1.039 617 K CA 0.926 57.208 56.287 -0.009 0.000 1.001 617 K CB 0.437 32.930 32.500 -0.011 0.000 0.795 617 K HN 0.857 nan 8.250 nan 0.000 0.495 618 G N 0.382 109.212 108.800 0.050 0.000 2.500 618 G HA2 0.450 4.410 3.960 -0.000 0.000 0.299 618 G HA3 0.450 4.410 3.960 -0.000 0.000 0.299 618 G C -1.741 173.223 174.900 0.107 0.000 1.242 618 G CA -0.391 44.761 45.100 0.085 0.000 0.859 618 G HN 0.070 nan 8.290 nan 0.000 0.481 619 A N 0.084 123.008 122.820 0.173 0.000 2.309 619 A HA 0.579 4.899 4.320 -0.000 0.000 0.290 619 A C 0.260 178.026 177.584 0.303 0.000 1.206 619 A CA -0.276 51.929 52.037 0.281 0.000 0.850 619 A CB 0.476 19.682 19.000 0.343 0.000 1.118 619 A HN 0.348 nan 8.150 nan 0.000 0.523 620 Q N 2.281 122.192 119.800 0.184 0.000 3.179 620 Q HA 0.237 4.576 4.340 -0.000 0.000 0.328 620 Q C -1.461 174.300 176.000 -0.399 0.000 1.336 620 Q CA 0.651 56.402 55.803 -0.087 0.000 0.939 620 Q CB -0.723 27.899 28.738 -0.194 0.000 1.658 620 Q HN 0.608 nan 8.270 nan 0.000 0.486 621 F N -0.503 119.487 119.950 0.067 0.000 2.578 621 F HA 0.530 5.057 4.527 -0.000 0.000 0.311 621 F C 0.310 176.087 175.800 -0.038 0.000 1.094 621 F CA -1.276 56.762 58.000 0.063 0.000 0.923 621 F CB 1.199 40.291 39.000 0.154 0.000 1.230 621 F HN 0.062 nan 8.300 nan 0.000 0.450 622 A N 3.235 126.098 122.820 0.071 0.000 2.425 622 A HA 0.373 4.693 4.320 -0.000 0.000 0.242 622 A C -1.686 175.726 177.584 -0.286 0.000 1.077 622 A CA -1.094 50.889 52.037 -0.090 0.000 0.781 622 A CB -0.196 18.775 19.000 -0.049 0.000 1.020 622 A HN 0.574 nan 8.150 nan 0.000 0.494 623 P HA -0.111 nan 4.420 nan 0.000 0.231 623 P C 0.160 177.198 177.300 -0.437 0.000 1.158 623 P CA 1.364 63.914 63.100 -0.917 0.000 0.763 623 P CB -0.010 31.328 31.700 -0.604 0.000 0.805 624 D N -1.993 118.260 120.400 -0.245 0.000 2.363 624 D HA 0.009 4.649 4.640 -0.000 0.000 0.214 624 D C 0.282 176.477 176.300 -0.176 0.000 1.093 624 D CA -0.061 53.822 54.000 -0.196 0.000 0.837 624 D CB -0.295 40.414 40.800 -0.151 0.000 0.948 624 D HN 0.043 nan 8.370 nan 0.000 0.507 625 E N -0.001 120.170 120.200 -0.048 0.000 2.373 625 E HA -0.001 4.349 4.350 -0.000 0.000 0.267 625 E C 0.250 176.858 176.600 0.012 0.000 1.032 625 E CA -0.317 56.133 56.400 0.082 0.000 0.889 625 E CB 0.841 30.710 29.700 0.281 0.000 0.984 625 E HN 0.275 nan 8.360 nan 0.000 0.425 626 W N 1.993 123.340 121.300 0.077 0.000 2.363 626 W HA -0.100 4.560 4.660 -0.000 0.000 0.296 626 W C 2.158 178.655 176.519 -0.036 0.000 1.212 626 W CA 0.191 57.533 57.345 -0.005 0.000 1.260 626 W CB -0.096 29.221 29.460 -0.238 0.000 1.131 626 W HN 0.590 nan 8.180 nan 0.000 0.530 627 I N -0.642 119.972 120.570 0.073 0.000 2.286 627 I HA -0.361 3.809 4.170 -0.000 0.000 0.248 627 I C 2.381 178.400 176.117 -0.164 0.000 1.115 627 I CA 1.372 62.601 61.300 -0.118 0.000 1.392 627 I CB -0.297 37.501 38.000 -0.338 0.000 1.065 627 I HN 0.043 nan 8.210 nan 0.000 0.418 628 Y N 0.699 120.865 120.300 -0.224 0.000 2.145 628 Y HA -0.379 4.171 4.550 -0.000 0.000 0.286 628 Y C 2.619 178.449 175.900 -0.117 0.000 1.145 628 Y CA 2.442 60.440 58.100 -0.172 0.000 1.148 628 Y CB -0.614 37.810 38.460 -0.059 0.000 0.981 628 Y HN 0.300 nan 8.280 nan 0.000 0.507 629 H N -0.217 118.899 119.070 0.077 0.000 2.387 629 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 629 H C 2.267 177.600 175.328 0.009 0.000 1.090 629 H CA 2.027 58.089 56.048 0.023 0.000 1.332 629 H CB 0.016 29.710 29.762 -0.112 0.000 1.386 629 H HN 0.247 nan 8.280 nan 0.000 0.516 630 R N -0.480 120.050 120.500 0.050 0.000 2.090 630 R HA 0.087 4.427 4.340 -0.000 0.000 0.228 630 R C 0.195 176.400 176.300 -0.159 0.000 1.110 630 R CA 0.925 57.022 56.100 -0.004 0.000 0.973 630 R CB 0.309 30.653 30.300 0.074 0.000 0.869 630 R HN 0.251 nan 8.270 nan 0.000 0.440 631 L N 0.852 121.936 121.223 -0.232 0.000 2.581 631 L HA 0.271 4.611 4.340 -0.000 0.000 0.241 631 L C 0.499 177.086 176.870 -0.472 0.000 1.265 631 L CA -0.296 54.368 54.840 -0.294 0.000 0.954 631 L CB 1.694 43.538 42.059 -0.359 0.000 1.269 631 L HN 0.028 nan 8.230 nan 0.000 0.475 632 S N 0.779 116.256 115.700 -0.372 0.000 2.440 632 S HA -0.199 4.271 4.470 -0.000 0.000 0.238 632 S C 1.722 176.247 174.600 -0.125 0.000 1.010 632 S CA 1.355 59.365 58.200 -0.316 0.000 0.972 632 S CB -0.257 62.866 63.200 -0.129 0.000 0.774 632 S HN 0.737 nan 8.310 nan 0.000 0.501 633 F N 1.120 120.905 119.950 -0.276 0.000 2.333 633 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 633 F C 1.788 177.627 175.800 0.066 0.000 1.083 633 F CA 0.749 58.626 58.000 -0.205 0.000 1.395 633 F CB -0.816 37.884 39.000 -0.499 0.000 1.056 633 F HN 0.093 nan 8.300 nan 0.000 0.529 634 M N 0.302 119.429 119.600 -0.789 0.000 2.296 634 M HA -0.123 4.357 4.480 -0.000 0.000 0.265 634 M C 0.897 177.126 176.300 -0.119 0.000 1.064 634 M CA 1.560 56.544 55.300 -0.527 0.000 1.109 634 M CB -0.430 31.840 32.600 -0.549 0.000 1.396 634 M HN 0.102 nan 8.290 nan 0.000 0.430 635 D N 0.381 120.739 120.400 -0.070 0.000 2.340 635 D HA 0.083 4.723 4.640 -0.000 0.000 0.217 635 D C -0.327 176.023 176.300 0.084 0.000 1.081 635 D CA 0.391 54.412 54.000 0.034 0.000 0.842 635 D CB 0.521 41.318 40.800 -0.004 0.000 0.934 635 D HN -0.076 nan 8.370 nan 0.000 0.511 636 K N 0.216 120.718 120.400 0.169 0.000 2.468 636 K HA 0.260 4.580 4.320 -0.000 0.000 0.252 636 K C 0.146 176.866 176.600 0.200 0.000 0.932 636 K CA -0.444 55.859 56.287 0.027 0.000 0.794 636 K CB 1.881 34.115 32.500 -0.444 0.000 1.241 636 K HN -0.202 nan 8.250 nan 0.000 0.428 637 Q N 0.373 120.263 119.800 0.151 0.000 2.331 637 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 637 Q C 0.031 176.185 176.000 0.256 0.000 0.944 637 Q CA 0.490 56.442 55.803 0.248 0.000 0.892 637 Q CB 0.229 29.121 28.738 0.257 0.000 0.983 637 Q HN 0.345 nan 8.270 nan 0.000 0.482 638 L N -0.478 120.815 121.223 0.117 0.000 2.408 638 L HA 0.602 4.942 4.340 -0.000 0.000 0.268 638 L C -2.077 174.759 176.870 -0.056 0.000 0.986 638 L CA -0.576 54.352 54.840 0.148 0.000 0.820 638 L CB 1.320 43.440 42.059 0.103 0.000 1.303 638 L HN 0.018 nan 8.230 nan 0.000 0.411 639 W N 4.098 125.519 121.300 0.203 0.000 3.138 639 W HA 0.767 5.427 4.660 -0.000 0.000 0.331 639 W C -1.334 175.367 176.519 0.304 0.000 1.166 639 W CA -0.763 56.697 57.345 0.192 0.000 1.212 639 W CB 2.199 31.718 29.460 0.098 0.000 1.399 639 W HN 0.300 nan 8.180 nan 0.000 0.514 640 V N 2.505 122.697 119.914 0.463 0.000 2.623 640 V HA 0.769 4.889 4.120 -0.000 0.000 0.304 640 V C -0.249 176.061 176.094 0.360 0.000 1.054 640 V CA -0.825 61.713 62.300 0.397 0.000 0.882 640 V CB 1.539 33.506 31.823 0.240 0.000 1.002 640 V HN 0.584 nan 8.190 nan 0.000 0.424 641 T N 1.201 115.995 114.554 0.400 0.000 2.901 641 T HA 0.759 5.108 4.350 -0.000 0.000 0.293 641 T C -0.495 174.316 174.700 0.185 0.000 1.084 641 T CA -0.986 61.288 62.100 0.290 0.000 1.008 641 T CB 2.135 71.204 68.868 0.335 0.000 1.170 641 T HN 0.593 nan 8.240 nan 0.000 0.509 642 R N 0.632 121.166 120.500 0.056 0.000 2.491 642 R HA 0.315 4.655 4.340 -0.000 0.000 0.283 642 R C -0.769 175.342 176.300 -0.313 0.000 1.072 642 R CA -0.632 55.404 56.100 -0.107 0.000 1.048 642 R CB -0.369 29.834 30.300 -0.162 0.000 0.983 642 R HN 0.754 nan 8.270 nan 0.000 0.450 643 Y N 3.918 124.040 120.300 -0.297 0.000 2.620 643 Y HA 0.114 4.664 4.550 -0.000 0.000 0.330 643 Y C -0.829 174.813 175.900 -0.430 0.000 1.186 643 Y CA 0.716 58.661 58.100 -0.258 0.000 1.467 643 Y CB 0.294 38.677 38.460 -0.129 0.000 1.262 643 Y HN 0.744 nan 8.280 nan 0.000 0.550 644 H N 6.666 125.235 119.070 -0.836 0.000 3.042 644 H HA 0.195 4.751 4.556 -0.000 0.000 0.345 644 H C -1.979 172.837 175.328 -0.854 0.000 1.052 644 H CA -1.895 53.723 56.048 -0.716 0.000 1.311 644 H CB 1.650 31.207 29.762 -0.341 0.000 1.810 644 H HN 0.420 nan 8.280 nan 0.000 0.505 645 P HA -0.136 nan 4.420 nan 0.000 0.218 645 P C 1.247 178.414 177.300 -0.221 0.000 1.146 645 P CA 1.346 64.241 63.100 -0.341 0.000 0.813 645 P CB 0.200 31.822 31.700 -0.130 0.000 0.778 646 G N -0.557 108.123 108.800 -0.200 0.000 3.523 646 G HA2 0.055 4.015 3.960 -0.000 0.000 0.270 646 G HA3 0.055 4.015 3.960 -0.000 0.000 0.270 646 G C -0.001 174.761 174.900 -0.229 0.000 1.134 646 G CA -0.158 44.848 45.100 -0.157 0.000 0.825 646 G HN 0.241 nan 8.290 nan 0.000 0.534 647 E N 0.534 120.509 120.200 -0.375 0.000 2.256 647 E HA 0.319 4.669 4.350 -0.000 0.000 0.243 647 E C 0.339 176.710 176.600 -0.381 0.000 0.925 647 E CA -0.385 55.580 56.400 -0.725 0.000 0.748 647 E CB 1.004 29.997 29.700 -1.179 0.000 1.206 647 E HN 0.205 nan 8.360 nan 0.000 0.428 648 R N 1.339 121.604 120.500 -0.391 0.000 2.521 648 R HA 0.207 4.547 4.340 -0.000 0.000 0.289 648 R C -0.385 175.668 176.300 -0.411 0.000 0.936 648 R CA 0.014 55.803 56.100 -0.518 0.000 1.089 648 R CB 0.803 30.401 30.300 -1.169 0.000 1.348 648 R HN 0.190 nan 8.270 nan 0.000 0.536 649 F N 1.932 122.110 119.950 0.380 0.000 2.493 649 F HA 0.371 4.898 4.527 -0.000 0.000 0.329 649 F C -1.568 174.217 175.800 -0.025 0.000 1.126 649 F CA -3.063 55.035 58.000 0.164 0.000 0.937 649 F CB 1.555 40.557 39.000 0.003 0.000 1.146 649 F HN -0.263 nan 8.300 nan 0.000 0.442 650 P HA -0.174 nan 4.420 nan 0.000 0.221 650 P C 0.782 177.742 177.300 -0.567 0.000 1.150 650 P CA 1.525 64.244 63.100 -0.635 0.000 0.800 650 P CB 0.264 31.364 31.700 -1.001 0.000 0.787 651 E N 0.442 120.419 120.200 -0.373 0.000 2.479 651 E HA 0.188 4.538 4.350 -0.000 0.000 0.193 651 E C 0.772 177.289 176.600 -0.138 0.000 1.049 651 E CA 0.470 56.790 56.400 -0.133 0.000 0.870 651 E CB -0.435 29.255 29.700 -0.017 0.000 0.944 651 E HN 0.158 nan 8.360 nan 0.000 0.492 652 G N 1.820 110.541 108.800 -0.131 0.000 2.663 652 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.686 652 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.686 652 G C 0.055 174.938 174.900 -0.028 0.000 1.246 652 G CA -0.075 44.973 45.100 -0.086 0.000 0.795 652 G HN 0.140 nan 8.290 nan 0.000 0.627 653 K N -0.658 119.741 120.400 -0.002 0.000 2.057 653 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 653 K C 0.442 176.630 176.600 -0.686 0.000 1.049 653 K CA 1.486 57.605 56.287 -0.280 0.000 0.931 653 K CB -0.101 32.242 32.500 -0.261 0.000 0.714 653 K HN 0.488 nan 8.250 nan 0.000 0.440 654 Y N 0.605 120.868 120.300 -0.063 0.000 2.836 654 Y HA 0.249 4.799 4.550 -0.000 0.000 0.359 654 Y C -1.975 173.872 175.900 -0.087 0.000 1.060 654 Y CA -2.396 55.659 58.100 -0.075 0.000 1.161 654 Y CB 1.309 39.742 38.460 -0.045 0.000 1.225 654 Y HN 0.168 nan 8.280 nan 0.000 0.621 655 P HA -0.074 nan 4.420 nan 0.000 0.237 655 P C 0.088 177.364 177.300 -0.040 0.000 1.178 655 P CA 0.473 63.543 63.100 -0.050 0.000 0.766 655 P CB 0.432 32.093 31.700 -0.066 0.000 0.876 656 N N 1.907 120.597 118.700 -0.016 0.000 2.431 656 N HA 0.004 4.744 4.740 -0.000 0.000 0.265 656 N C 0.346 175.769 175.510 -0.145 0.000 1.184 656 N CA 0.143 53.153 53.050 -0.066 0.000 0.943 656 N CB -0.418 38.043 38.487 -0.044 0.000 1.080 656 N HN -0.095 nan 8.380 nan 0.000 0.477 657 R N 0.437 120.826 120.500 -0.185 0.000 3.641 657 R HA -0.167 4.173 4.340 -0.000 0.000 0.286 657 R C -0.343 175.827 176.300 -0.217 0.000 1.153 657 R CA 0.804 56.761 56.100 -0.238 0.000 0.775 657 R CB -2.707 27.242 30.300 -0.586 0.000 1.215 657 R HN 0.734 nan 8.270 nan 0.000 0.474 658 S N -0.626 114.982 115.700 -0.154 0.000 2.568 658 S HA 0.133 4.602 4.470 -0.000 0.000 0.282 658 S C 1.548 175.960 174.600 -0.313 0.000 1.338 658 S CA 0.105 58.195 58.200 -0.183 0.000 1.045 658 S CB 1.513 64.618 63.200 -0.158 0.000 0.873 658 S HN 0.336 nan 8.310 nan 0.000 0.516 659 T N -1.987 112.361 114.554 -0.343 0.000 3.044 659 T HA 0.251 4.601 4.350 -0.000 0.000 0.250 659 T C 0.251 175.048 174.700 0.162 0.000 1.081 659 T CA 0.532 62.305 62.100 -0.544 0.000 1.040 659 T CB -0.833 67.740 68.868 -0.493 0.000 0.962 659 T HN 1.044 nan 8.240 nan 0.000 0.506 660 H N -2.457 116.651 119.070 0.064 0.000 2.967 660 H HA 0.540 5.096 4.556 -0.000 0.000 0.318 660 H C -1.678 173.688 175.328 0.063 0.000 1.375 660 H CA -1.231 54.959 56.048 0.237 0.000 1.132 660 H CB 0.264 30.160 29.762 0.223 0.000 1.848 660 H HN -0.113 nan 8.280 nan 0.000 0.524 661 D N 1.199 121.580 120.400 -0.031 0.000 2.349 661 D HA 0.016 4.656 4.640 -0.000 0.000 0.266 661 D C 0.671 176.818 176.300 -0.255 0.000 1.293 661 D CA 0.780 54.655 54.000 -0.209 0.000 0.926 661 D CB 0.675 41.320 40.800 -0.258 0.000 1.090 661 D HN 0.695 nan 8.370 nan 0.000 0.502 662 T N 0.400 114.752 114.554 -0.336 0.000 3.129 662 T HA 0.393 4.743 4.350 -0.000 0.000 0.267 662 T C 0.928 175.399 174.700 -0.381 0.000 1.018 662 T CA -0.175 61.759 62.100 -0.276 0.000 0.903 662 T CB 0.778 69.516 68.868 -0.217 0.000 1.067 662 T HN 0.239 nan 8.240 nan 0.000 0.549 663 G N 1.349 109.818 108.800 -0.550 0.000 3.392 663 G HA2 0.467 4.427 3.960 -0.000 0.000 0.188 663 G HA3 0.467 4.427 3.960 -0.000 0.000 0.188 663 G C 0.805 174.787 174.900 -1.530 0.000 1.485 663 G CA -0.648 43.885 45.100 -0.946 0.000 0.943 663 G HN 0.286 nan 8.290 nan 0.000 0.627 664 L N 1.014 121.493 121.223 -1.240 0.000 2.187 664 L HA -0.013 4.327 4.340 -0.000 0.000 0.213 664 L C 3.021 179.473 176.870 -0.697 0.000 1.100 664 L CA 1.098 55.234 54.840 -1.174 0.000 0.765 664 L CB -0.419 40.659 42.059 -1.635 0.000 0.904 664 L HN 0.552 nan 8.230 nan 0.000 0.437 665 G N -1.092 107.403 108.800 -0.509 0.000 2.408 665 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 665 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 665 G C 1.489 176.305 174.900 -0.140 0.000 1.150 665 G CA 0.597 45.577 45.100 -0.201 0.000 0.776 665 G HN 0.407 nan 8.290 nan 0.000 0.542 666 Q N -0.999 118.654 119.800 -0.245 0.000 2.137 666 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 666 Q C 2.189 178.211 176.000 0.037 0.000 0.960 666 Q CA 0.781 56.529 55.803 -0.093 0.000 0.847 666 Q CB -0.153 28.522 28.738 -0.106 0.000 0.915 666 Q HN 0.518 nan 8.270 nan 0.000 0.448 667 Y N 0.364 120.608 120.300 -0.092 0.000 2.352 667 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 667 Y C 2.512 178.424 175.900 0.019 0.000 1.136 667 Y CA 1.196 59.264 58.100 -0.054 0.000 1.227 667 Y CB -0.464 37.891 38.460 -0.176 0.000 0.991 667 Y HN 0.291 nan 8.280 nan 0.000 0.545 668 S N -1.461 114.339 115.700 0.166 0.000 2.523 668 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 668 S C 1.756 176.445 174.600 0.148 0.000 0.996 668 S CA -0.265 58.049 58.200 0.189 0.000 0.921 668 S CB 0.063 63.427 63.200 0.272 0.000 0.829 668 S HN 0.245 nan 8.310 nan 0.000 0.495 669 K N 2.166 122.636 120.400 0.116 0.000 2.077 669 K HA -0.227 4.093 4.320 -0.000 0.000 0.213 669 K C 1.343 177.998 176.600 0.092 0.000 1.051 669 K CA 2.157 58.501 56.287 0.094 0.000 0.929 669 K CB -0.349 32.199 32.500 0.079 0.000 0.715 669 K HN 0.647 nan 8.250 nan 0.000 0.451 670 D N -0.306 120.153 120.400 0.099 0.000 2.378 670 D HA -0.208 4.432 4.640 -0.000 0.000 0.222 670 D C -0.039 176.317 176.300 0.092 0.000 0.980 670 D CA 0.500 54.554 54.000 0.091 0.000 0.907 670 D CB -1.026 39.833 40.800 0.098 0.000 0.899 670 D HN 0.387 nan 8.370 nan 0.000 0.527 671 N N 0.868 119.629 118.700 0.102 0.000 2.686 671 N HA -0.205 4.535 4.740 -0.000 0.000 0.261 671 N C -0.897 174.668 175.510 0.093 0.000 1.001 671 N CA 0.085 53.192 53.050 0.095 0.000 0.764 671 N CB -0.477 38.055 38.487 0.075 0.000 0.898 671 N HN 0.429 nan 8.380 nan 0.000 0.544 672 E N 0.122 120.387 120.200 0.110 0.000 2.369 672 E HA 0.150 4.500 4.350 -0.000 0.000 0.255 672 E C 0.232 176.888 176.600 0.093 0.000 1.172 672 E CA -0.451 56.012 56.400 0.104 0.000 0.932 672 E CB 0.841 30.619 29.700 0.130 0.000 1.040 672 E HN 0.281 nan 8.360 nan 0.000 0.454 673 S N 0.721 116.470 115.700 0.083 0.000 2.549 673 S HA 0.110 4.580 4.470 -0.000 0.000 0.279 673 S C 0.310 174.955 174.600 0.075 0.000 1.321 673 S CA -0.388 57.855 58.200 0.073 0.000 1.054 673 S CB 0.144 63.382 63.200 0.064 0.000 0.899 673 S HN 0.431 nan 8.310 nan 0.000 0.497 674 L N 3.355 124.621 121.223 0.073 0.000 3.066 674 L HA 0.341 4.680 4.340 -0.000 0.000 0.265 674 L C -0.020 176.887 176.870 0.061 0.000 1.232 674 L CA -0.199 54.685 54.840 0.073 0.000 1.031 674 L CB 0.210 42.320 42.059 0.084 0.000 1.379 674 L HN 0.616 nan 8.230 nan 0.000 0.563 675 D N 0.984 121.417 120.400 0.055 0.000 2.295 675 D HA 0.057 4.697 4.640 -0.000 0.000 0.248 675 D C 0.769 177.093 176.300 0.040 0.000 1.154 675 D CA 0.006 54.034 54.000 0.046 0.000 0.857 675 D CB 0.381 41.207 40.800 0.044 0.000 1.117 675 D HN 0.159 nan 8.370 nan 0.000 0.468 676 N N 2.653 121.375 118.700 0.036 0.000 2.705 676 N HA -0.246 4.494 4.740 -0.000 0.000 0.255 676 N C -1.263 174.265 175.510 0.030 0.000 1.008 676 N CA 0.654 53.721 53.050 0.029 0.000 0.742 676 N CB -0.447 38.054 38.487 0.023 0.000 0.906 676 N HN 0.465 nan 8.380 nan 0.000 0.541 677 T N -0.641 113.935 114.554 0.037 0.000 2.838 677 T HA 0.143 4.493 4.350 -0.000 0.000 0.292 677 T C -1.490 173.233 174.700 0.037 0.000 1.113 677 T CA -0.590 61.533 62.100 0.038 0.000 1.008 677 T CB 1.507 70.403 68.868 0.047 0.000 1.259 677 T HN 0.189 nan 8.240 nan 0.000 0.520 678 D N 1.588 122.009 120.400 0.035 0.000 2.349 678 D HA 0.457 5.097 4.640 -0.000 0.000 0.266 678 D C -0.149 176.189 176.300 0.063 0.000 1.293 678 D CA 0.074 54.093 54.000 0.030 0.000 0.926 678 D CB 0.264 41.070 40.800 0.010 0.000 1.090 678 D HN 0.709 nan 8.370 nan 0.000 0.502 679 A N 3.109 125.970 122.820 0.068 0.000 2.294 679 A HA 0.674 4.994 4.320 -0.000 0.000 0.330 679 A C -0.729 176.920 177.584 0.108 0.000 1.133 679 A CA -0.643 51.453 52.037 0.098 0.000 0.836 679 A CB 1.512 20.571 19.000 0.098 0.000 1.190 679 A HN 0.356 nan 8.150 nan 0.000 0.492 680 V N 1.630 121.631 119.914 0.145 0.000 2.577 680 V HA 0.368 4.488 4.120 -0.000 0.000 0.303 680 V C -0.366 175.789 176.094 0.102 0.000 1.042 680 V CA -0.529 61.808 62.300 0.062 0.000 0.872 680 V CB 1.545 33.389 31.823 0.035 0.000 0.998 680 V HN 0.684 nan 8.190 nan 0.000 0.423 681 V N 3.868 123.786 119.914 0.006 0.000 2.567 681 V HA 0.473 4.593 4.120 -0.000 0.000 0.289 681 V C -0.889 175.238 176.094 0.054 0.000 1.049 681 V CA -0.405 61.977 62.300 0.136 0.000 0.969 681 V CB 1.563 33.443 31.823 0.095 0.000 0.995 681 V HN 0.892 nan 8.190 nan 0.000 0.471 682 W N 4.191 125.623 121.300 0.221 0.000 2.600 682 W HA 0.732 5.392 4.660 -0.000 0.000 0.325 682 W C -0.345 176.345 176.519 0.284 0.000 1.034 682 W CA -0.833 56.644 57.345 0.219 0.000 1.226 682 W CB 1.133 30.674 29.460 0.135 0.000 1.379 682 W HN 0.254 nan 8.180 nan 0.000 0.466 683 M N 3.168 123.037 119.600 0.447 0.000 2.167 683 M HA 0.428 4.908 4.480 -0.000 0.000 0.333 683 M C -0.371 176.181 176.300 0.420 0.000 1.030 683 M CA -0.323 55.209 55.300 0.388 0.000 0.963 683 M CB 1.838 34.615 32.600 0.296 0.000 1.589 683 M HN 0.264 nan 8.290 nan 0.000 0.431 684 T N 1.529 116.336 114.554 0.422 0.000 2.794 684 T HA 0.485 4.835 4.350 -0.000 0.000 0.280 684 T C -0.354 174.555 174.700 0.349 0.000 0.987 684 T CA -0.375 61.965 62.100 0.401 0.000 0.993 684 T CB 1.597 70.745 68.868 0.466 0.000 0.939 684 T HN 0.661 nan 8.240 nan 0.000 0.449 685 T N 1.776 116.548 114.554 0.365 0.000 2.916 685 T HA 0.752 5.102 4.350 -0.000 0.000 0.298 685 T C -0.313 174.602 174.700 0.358 0.000 1.031 685 T CA -0.350 61.969 62.100 0.365 0.000 0.993 685 T CB 1.114 70.237 68.868 0.424 0.000 1.045 685 T HN 0.821 nan 8.240 nan 0.000 0.454 686 G N 1.598 110.553 108.800 0.260 0.000 2.727 686 G HA2 0.770 4.730 3.960 -0.000 0.000 0.289 686 G HA3 0.770 4.730 3.960 -0.000 0.000 0.289 686 G C -0.745 174.264 174.900 0.181 0.000 1.418 686 G CA -0.371 44.852 45.100 0.204 0.000 0.818 686 G HN 0.994 nan 8.290 nan 0.000 0.486 687 T N -3.172 111.483 114.554 0.168 0.000 2.896 687 T HA 0.709 5.059 4.350 -0.000 0.000 0.297 687 T C -0.882 173.865 174.700 0.077 0.000 1.108 687 T CA -0.642 61.547 62.100 0.149 0.000 1.004 687 T CB 2.038 71.041 68.868 0.225 0.000 1.159 687 T HN 0.456 nan 8.240 nan 0.000 0.499 688 T N 1.706 116.269 114.554 0.014 0.000 2.809 688 T HA 0.351 4.701 4.350 -0.000 0.000 0.296 688 T C -0.895 173.730 174.700 -0.125 0.000 1.015 688 T CA -0.438 61.624 62.100 -0.064 0.000 0.954 688 T CB 0.031 68.862 68.868 -0.062 0.000 0.950 688 T HN 0.780 nan 8.240 nan 0.000 0.450 689 H N 3.570 122.402 119.070 -0.395 0.000 2.690 689 H HA 0.533 5.089 4.556 -0.000 0.000 0.289 689 H C -0.866 174.183 175.328 -0.466 0.000 1.089 689 H CA -0.706 54.998 56.048 -0.573 0.000 1.299 689 H CB 0.471 29.854 29.762 -0.632 0.000 1.405 689 H HN 0.280 nan 8.280 nan 0.000 0.463 690 V N 5.439 125.289 119.914 -0.106 0.000 2.350 690 V HA 0.325 4.445 4.120 -0.000 0.000 0.276 690 V C 0.570 176.663 176.094 -0.001 0.000 1.028 690 V CA -0.524 61.712 62.300 -0.108 0.000 0.860 690 V CB 0.642 32.416 31.823 -0.082 0.000 0.990 690 V HN 0.925 nan 8.190 nan 0.000 0.453 691 A N 6.856 129.616 122.820 -0.100 0.000 2.366 691 A HA 0.769 5.089 4.320 -0.000 0.000 0.250 691 A C 0.393 178.010 177.584 0.054 0.000 1.099 691 A CA -0.180 51.864 52.037 0.010 0.000 0.794 691 A CB 0.430 19.371 19.000 -0.098 0.000 1.056 691 A HN 0.977 nan 8.150 nan 0.000 0.499 692 R N -1.227 119.342 120.500 0.115 0.000 2.764 692 R HA 0.665 5.005 4.340 -0.000 0.000 0.270 692 R C 0.350 176.711 176.300 0.102 0.000 1.014 692 R CA -0.175 55.974 56.100 0.083 0.000 0.904 692 R CB 1.270 31.622 30.300 0.087 0.000 1.236 692 R HN 0.690 nan 8.270 nan 0.000 0.466 693 A N 0.867 123.731 122.820 0.073 0.000 2.019 693 A HA -0.127 4.192 4.320 -0.000 0.000 0.219 693 A C 1.316 178.982 177.584 0.138 0.000 1.164 693 A CA 1.548 53.645 52.037 0.100 0.000 0.644 693 A CB -0.533 18.500 19.000 0.054 0.000 0.805 693 A HN 0.813 nan 8.150 nan 0.000 0.449 694 E N 0.336 120.602 120.200 0.109 0.000 2.409 694 E HA -0.101 4.249 4.350 -0.000 0.000 0.198 694 E C 1.141 177.809 176.600 0.114 0.000 1.024 694 E CA 1.024 57.481 56.400 0.095 0.000 0.861 694 E CB -0.136 29.608 29.700 0.074 0.000 0.788 694 E HN 0.785 nan 8.360 nan 0.000 0.521 695 E N -0.923 119.382 120.200 0.174 0.000 2.476 695 E HA 0.052 4.402 4.350 -0.000 0.000 0.196 695 E C -0.386 176.381 176.600 0.279 0.000 1.029 695 E CA -0.274 56.245 56.400 0.199 0.000 0.896 695 E CB 0.456 30.318 29.700 0.270 0.000 1.012 695 E HN 0.186 nan 8.360 nan 0.000 0.475 696 W N 2.003 123.315 121.300 0.020 0.000 2.785 696 W HA 0.258 4.918 4.660 -0.000 0.000 0.333 696 W C -2.303 174.226 176.519 0.016 0.000 1.062 696 W CA -2.162 55.191 57.345 0.012 0.000 1.233 696 W CB 1.715 31.180 29.460 0.009 0.000 1.413 696 W HN -0.121 nan 8.180 nan 0.000 0.489 697 P HA 0.100 nan 4.420 nan 0.000 0.241 697 P C -0.029 176.911 177.300 -0.600 0.000 1.191 697 P CA 0.753 63.175 63.100 -1.130 0.000 0.771 697 P CB 1.423 32.593 31.700 -0.883 0.000 0.929 698 I N -0.583 119.819 120.570 -0.279 0.000 2.647 698 I HA 0.384 4.554 4.170 -0.000 0.000 0.295 698 I C -0.877 175.172 176.117 -0.114 0.000 1.078 698 I CA -1.722 59.437 61.300 -0.234 0.000 1.048 698 I CB 2.774 40.639 38.000 -0.226 0.000 1.239 698 I HN -0.293 nan 8.210 nan 0.000 0.421 699 M N 9.242 128.775 119.600 -0.113 0.000 2.108 699 M HA 0.503 4.982 4.480 -0.000 0.000 0.354 699 M C -2.441 173.791 176.300 -0.113 0.000 1.229 699 M CA -1.529 53.740 55.300 -0.053 0.000 1.081 699 M CB 1.135 33.729 32.600 -0.011 0.000 1.606 699 M HN 0.255 nan 8.290 nan 0.000 0.467 700 P HA 0.025 nan 4.420 nan 0.000 0.264 700 P C -0.906 176.289 177.300 -0.174 0.000 1.193 700 P CA 0.156 63.196 63.100 -0.100 0.000 0.763 700 P CB 0.294 31.963 31.700 -0.052 0.000 0.810 701 T N 4.099 118.532 114.554 -0.202 0.000 2.849 701 T HA 0.004 4.354 4.350 -0.000 0.000 0.289 701 T C 0.284 174.752 174.700 -0.387 0.000 1.010 701 T CA 0.296 62.183 62.100 -0.354 0.000 1.161 701 T CB -0.132 68.529 68.868 -0.345 0.000 0.989 701 T HN 0.345 nan 8.240 nan 0.000 0.523 702 E N 2.189 122.051 120.200 -0.563 0.000 2.183 702 E HA 0.377 4.727 4.350 -0.000 0.000 0.271 702 E C -0.833 175.420 176.600 -0.578 0.000 0.919 702 E CA -0.469 55.616 56.400 -0.526 0.000 0.781 702 E CB 1.839 31.040 29.700 -0.831 0.000 1.140 702 E HN 0.625 nan 8.360 nan 0.000 0.402 703 W N 1.080 122.209 121.300 -0.284 0.000 2.882 703 W HA 0.499 5.159 4.660 -0.000 0.000 0.345 703 W C -0.425 175.847 176.519 -0.410 0.000 1.125 703 W CA -0.777 56.363 57.345 -0.341 0.000 1.167 703 W CB 1.610 30.876 29.460 -0.324 0.000 1.431 703 W HN 0.244 nan 8.180 nan 0.000 0.543 704 V N -0.862 118.928 119.914 -0.206 0.000 2.823 704 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 704 V C -0.926 174.889 176.094 -0.464 0.000 1.072 704 V CA -0.885 61.282 62.300 -0.221 0.000 0.937 704 V CB 1.903 33.772 31.823 0.077 0.000 1.013 704 V HN 0.628 nan 8.190 nan 0.000 0.430 705 H N 2.075 121.186 119.070 0.067 0.000 2.637 705 H HA 0.808 5.364 4.556 -0.000 0.000 0.363 705 H C -0.390 174.906 175.328 -0.054 0.000 1.131 705 H CA 0.052 56.078 56.048 -0.037 0.000 1.183 705 H CB 2.367 32.078 29.762 -0.085 0.000 1.637 705 H HN 1.061 nan 8.280 nan 0.000 0.531 706 T N 0.120 114.666 114.554 -0.014 0.000 2.896 706 T HA 0.640 4.990 4.350 -0.000 0.000 0.297 706 T C -1.072 173.546 174.700 -0.136 0.000 1.108 706 T CA -0.802 61.252 62.100 -0.077 0.000 1.004 706 T CB 2.019 70.817 68.868 -0.117 0.000 1.159 706 T HN 0.236 nan 8.240 nan 0.000 0.499 707 L N 0.692 121.838 121.223 -0.128 0.000 2.518 707 L HA 0.702 5.042 4.340 -0.000 0.000 0.257 707 L C -1.744 175.075 176.870 -0.085 0.000 0.980 707 L CA -0.888 53.875 54.840 -0.127 0.000 0.837 707 L CB 2.288 44.287 42.059 -0.100 0.000 1.410 707 L HN 0.843 nan 8.230 nan 0.000 0.410 708 L N 3.297 124.491 121.223 -0.048 0.000 2.372 708 L HA 0.563 4.903 4.340 -0.000 0.000 0.273 708 L C -0.741 176.232 176.870 0.172 0.000 0.989 708 L CA -0.597 54.301 54.840 0.096 0.000 0.841 708 L CB 1.512 43.628 42.059 0.094 0.000 1.225 708 L HN 0.466 nan 8.230 nan 0.000 0.414 709 K N 4.124 124.580 120.400 0.094 0.000 2.270 709 K HA 0.528 4.848 4.320 -0.000 0.000 0.255 709 K C -2.617 173.733 176.600 -0.416 0.000 0.936 709 K CA -1.890 54.357 56.287 -0.066 0.000 0.809 709 K CB 2.091 34.588 32.500 -0.004 0.000 1.131 709 K HN 0.196 nan 8.250 nan 0.000 0.427 710 P HA -0.065 nan 4.420 nan 0.000 0.268 710 P C -1.013 176.166 177.300 -0.203 0.000 1.204 710 P CA -0.008 62.547 63.100 -0.910 0.000 0.768 710 P CB 0.498 31.968 31.700 -0.385 0.000 0.842 711 W N 5.379 126.521 121.300 -0.262 0.000 2.591 711 W HA 0.156 4.816 4.660 -0.000 0.000 0.311 711 W C -0.474 176.026 176.519 -0.031 0.000 1.003 711 W CA -0.355 56.932 57.345 -0.096 0.000 1.332 711 W CB 0.279 29.693 29.460 -0.077 0.000 1.272 711 W HN 0.519 nan 8.180 nan 0.000 0.412 712 N N 3.567 122.225 118.700 -0.071 0.000 2.714 712 N HA -0.324 4.416 4.740 -0.000 0.000 0.250 712 N C 0.308 175.835 175.510 0.027 0.000 1.117 712 N CA 1.622 54.659 53.050 -0.021 0.000 0.719 712 N CB -1.953 36.556 38.487 0.038 0.000 1.081 712 N HN 0.547 nan 8.380 nan 0.000 0.557 713 F N -0.293 119.558 119.950 -0.166 0.000 2.270 713 F HA 0.228 4.755 4.527 -0.000 0.000 0.295 713 F C 0.822 176.326 175.800 -0.493 0.000 1.087 713 F CA 0.694 58.484 58.000 -0.350 0.000 1.365 713 F CB 0.205 38.868 39.000 -0.562 0.000 1.056 713 F HN -0.024 nan 8.300 nan 0.000 0.506 714 F N 0.097 120.079 119.950 0.053 0.000 2.535 714 F HA 0.281 4.807 4.527 -0.000 0.000 0.367 714 F C 1.161 176.917 175.800 -0.074 0.000 1.096 714 F CA -0.758 57.221 58.000 -0.035 0.000 1.088 714 F CB 0.195 39.173 39.000 -0.037 0.000 1.387 714 F HN -0.335 nan 8.300 nan 0.000 0.494 715 D N -0.604 119.885 120.400 0.148 0.000 2.398 715 D HA 0.118 4.758 4.640 -0.000 0.000 0.210 715 D C -0.277 176.029 176.300 0.009 0.000 1.094 715 D CA 0.436 54.458 54.000 0.037 0.000 0.839 715 D CB 0.422 41.231 40.800 0.015 0.000 0.963 715 D HN 0.697 nan 8.370 nan 0.000 0.506 716 E N -1.804 118.406 120.200 0.017 0.000 2.427 716 E HA 0.181 4.531 4.350 -0.000 0.000 0.279 716 E C -1.183 175.367 176.600 -0.083 0.000 1.120 716 E CA -0.821 55.551 56.400 -0.046 0.000 0.869 716 E CB 0.170 29.840 29.700 -0.050 0.000 1.393 716 E HN -0.297 nan 8.360 nan 0.000 0.443 717 T N 2.798 117.282 114.554 -0.115 0.000 2.750 717 T HA 0.027 4.376 4.350 -0.000 0.000 0.277 717 T C -1.790 172.818 174.700 -0.153 0.000 0.996 717 T CA -0.240 61.780 62.100 -0.134 0.000 1.195 717 T CB 0.094 68.864 68.868 -0.165 0.000 0.963 717 T HN 0.322 nan 8.240 nan 0.000 0.516 718 P HA -0.011 nan 4.420 nan 0.000 0.223 718 P C 1.337 178.538 177.300 -0.165 0.000 1.151 718 P CA 0.648 63.506 63.100 -0.404 0.000 0.787 718 P CB -0.006 31.131 31.700 -0.938 0.000 0.788 719 T N -3.748 110.785 114.554 -0.034 0.000 3.144 719 T HA 0.200 4.550 4.350 -0.000 0.000 0.249 719 T C 1.538 176.312 174.700 0.123 0.000 1.089 719 T CA -0.069 62.065 62.100 0.057 0.000 0.989 719 T CB -0.794 68.146 68.868 0.119 0.000 0.992 719 T HN 0.019 nan 8.240 nan 0.000 0.540 720 L N 1.105 122.379 121.223 0.085 0.000 2.141 720 L HA 0.246 4.586 4.340 -0.000 0.000 0.209 720 L C 1.595 178.496 176.870 0.051 0.000 1.094 720 L CA 1.141 56.034 54.840 0.088 0.000 0.763 720 L CB -0.793 41.263 42.059 -0.004 0.000 0.908 720 L HN 0.709 nan 8.230 nan 0.000 0.437 721 G N -1.553 107.256 108.800 0.015 0.000 2.479 721 G HA2 0.119 4.079 3.960 -0.000 0.000 0.686 721 G HA3 0.119 4.079 3.960 -0.000 0.000 0.686 721 G C -0.757 174.141 174.900 -0.004 0.000 1.295 721 G CA -0.624 44.477 45.100 0.001 0.000 0.922 721 G HN 0.326 nan 8.290 nan 0.000 0.582 722 A N -0.194 122.622 122.820 -0.007 0.000 2.371 722 A HA 0.690 5.010 4.320 -0.000 0.000 0.257 722 A C 0.869 178.451 177.584 -0.003 0.000 1.089 722 A CA -0.154 51.881 52.037 -0.004 0.000 0.794 722 A CB 0.323 19.319 19.000 -0.007 0.000 1.029 722 A HN 1.251 nan 8.150 nan 0.000 0.488 723 L N 2.024 123.245 121.223 -0.003 0.000 2.426 723 L HA 0.100 4.440 4.340 -0.000 0.000 0.271 723 L C 1.454 178.321 176.870 -0.005 0.000 1.169 723 L CA -0.205 54.633 54.840 -0.005 0.000 0.836 723 L CB 0.794 42.850 42.059 -0.005 0.000 1.112 723 L HN 0.889 nan 8.230 nan 0.000 0.465 724 K N 2.382 122.779 120.400 -0.005 0.000 2.148 724 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 724 K C 0.495 177.092 176.600 -0.006 0.000 1.050 724 K CA 1.342 57.626 56.287 -0.005 0.000 0.942 724 K CB -0.024 32.473 32.500 -0.004 0.000 0.724 724 K HN 0.661 nan 8.250 nan 0.000 0.446 725 K N 0.000 120.397 120.400 -0.006 0.000 2.780 725 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 725 K CA 0.000 nan 56.287 nan 0.000 0.838 725 K CB 0.000 nan 32.500 nan 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543