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 1mqn_1_A DATA FIRST_RESID 9 DATA SEQUENCE STATLCLGHH AVPNGTIVKT ITDDQIEVTN ATELVQSSST GKIcNNPHRI DATA SEQUENCE LDGRAcTLID ALLGDPHcDV FQNETWDLFV ERSNAFSNcY PYDIPDYASL DATA SEQUENCE RSLVASSGTL EFITEGFTWT GVTQNGGSSA cKRGPANGFF SRLNWLTKSE DATA SEQUENCE SAYPVLNVTM PNNDNFDKLY IWGVHHPSTN QEQTNLYVQA SGRVTVSTRR DATA SEQUENCE SQQTIIPNIG SRPWVRGQPG RISIYWTIVK PGDVLVINSN GNLIAPRGYF DATA SEQUENCE KMRTGKSSIM RSDAPIDTcI SEcITPNGSI PNDKPFQNVN KITYGAcPKY DATA SEQUENCE VKQNTLKLAT GMRNVPEK 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.600 174.600 -0.000 0.000 1.055 9 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 9 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 10 T N 0.503 115.057 114.554 -0.000 0.000 2.930 10 T HA 0.933 5.283 4.350 -0.000 0.000 0.290 10 T C -0.334 174.366 174.700 -0.000 0.000 1.052 10 T CA -0.233 61.867 62.100 -0.000 0.000 1.017 10 T CB 1.735 70.603 68.868 -0.000 0.000 1.137 10 T HN 1.347 nan 8.240 nan 0.000 0.511 11 A N 0.648 123.468 122.820 -0.000 0.000 2.435 11 A HA 0.864 5.184 4.320 -0.000 0.000 0.296 11 A C -0.402 177.182 177.584 -0.001 0.000 1.147 11 A CA -0.940 51.096 52.037 -0.001 0.000 0.775 11 A CB 1.599 20.598 19.000 -0.001 0.000 1.340 11 A HN 0.907 nan 8.150 nan 0.000 0.427 12 T N 1.055 115.609 114.554 -0.001 0.000 2.937 12 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 12 T C -1.475 173.224 174.700 -0.002 0.000 0.991 12 T CA -0.133 61.966 62.100 -0.001 0.000 0.990 12 T CB 0.971 69.838 68.868 -0.001 0.000 0.991 12 T HN 0.596 nan 8.240 nan 0.000 0.440 13 L N 3.745 124.968 121.223 -0.001 0.000 2.319 13 L HA 0.674 5.014 4.340 -0.000 0.000 0.281 13 L C -1.034 175.835 176.870 -0.001 0.000 1.005 13 L CA -0.377 54.462 54.840 -0.001 0.000 0.828 13 L CB 0.624 42.682 42.059 -0.001 0.000 1.227 13 L HN 0.767 nan 8.230 nan 0.000 0.415 14 C N 5.299 124.597 119.300 -0.003 0.000 2.329 14 C HA 0.639 5.099 4.460 -0.000 0.000 0.329 14 C C -0.054 174.933 174.990 -0.004 0.000 1.275 14 C CA -0.916 58.100 59.018 -0.004 0.000 1.726 14 C CB 0.852 28.587 27.740 -0.008 0.000 2.291 14 C HN 0.645 nan 8.230 nan 0.000 0.514 15 L N 3.144 124.368 121.223 0.001 0.000 2.307 15 L HA 0.805 5.145 4.340 -0.000 0.000 0.282 15 L C 0.738 177.613 176.870 0.007 0.000 1.051 15 L CA 0.889 55.733 54.840 0.006 0.000 0.804 15 L CB 1.236 43.304 42.059 0.015 0.000 1.197 15 L HN 0.950 nan 8.230 nan 0.000 0.431 16 G N 0.322 109.123 108.800 0.002 0.000 2.749 16 G HA2 0.668 4.628 3.960 -0.000 0.000 0.300 16 G HA3 0.668 4.628 3.960 -0.000 0.000 0.300 16 G C -1.816 173.093 174.900 0.014 0.000 1.352 16 G CA -0.476 44.606 45.100 -0.030 0.000 0.789 16 G HN 0.735 nan 8.290 nan 0.000 0.509 17 H N -2.215 116.865 119.070 0.017 0.000 2.985 17 H HA 0.707 5.263 4.556 -0.000 0.000 0.360 17 H C -0.086 175.304 175.328 0.104 0.000 1.221 17 H CA -0.832 55.225 56.048 0.014 0.000 1.121 17 H CB 0.777 30.552 29.762 0.022 0.000 1.854 17 H HN 0.883 nan 8.280 nan 0.000 0.551 18 H N 0.685 119.813 119.070 0.097 0.000 2.534 18 H HA 0.824 5.380 4.556 -0.000 0.000 0.364 18 H C -0.843 174.553 175.328 0.112 0.000 1.328 18 H CA -0.839 55.235 56.048 0.043 0.000 1.415 18 H CB 0.963 30.752 29.762 0.044 0.000 1.573 18 H HN 0.853 nan 8.280 nan 0.000 0.601 19 A N 0.507 123.342 122.820 0.026 0.000 2.609 19 A HA 0.539 4.859 4.320 -0.000 0.000 0.291 19 A C -0.787 176.703 177.584 -0.157 0.000 1.096 19 A CA -0.231 51.774 52.037 -0.053 0.000 0.684 19 A CB 1.550 20.558 19.000 0.013 0.000 1.282 19 A HN 0.871 nan 8.150 nan 0.000 0.412 20 V N -1.995 117.841 119.914 -0.131 0.000 3.046 20 V HA 0.718 4.838 4.120 -0.000 0.000 0.316 20 V C -2.207 173.853 176.094 -0.057 0.000 1.104 20 V CA -1.694 60.539 62.300 -0.111 0.000 1.006 20 V CB 0.844 32.592 31.823 -0.126 0.000 1.058 20 V HN 0.641 nan 8.190 nan 0.000 0.440 21 P HA 0.047 nan 4.420 nan 0.000 0.210 21 P C 0.505 177.792 177.300 -0.022 0.000 1.189 21 P CA 2.146 65.230 63.100 -0.026 0.000 0.920 21 P CB -0.134 31.553 31.700 -0.022 0.000 0.782 22 N N -0.281 118.405 118.700 -0.023 0.000 2.476 22 N HA 0.501 5.241 4.740 -0.000 0.000 0.257 22 N C 0.399 175.896 175.510 -0.022 0.000 0.970 22 N CA -0.161 52.879 53.050 -0.018 0.000 0.938 22 N CB 0.895 39.375 38.487 -0.013 0.000 1.144 22 N HN 0.201 nan 8.380 nan 0.000 0.500 23 G N -0.352 108.436 108.800 -0.019 0.000 2.582 23 G HA2 0.584 4.544 3.960 -0.000 0.000 0.232 23 G HA3 0.584 4.544 3.960 -0.000 0.000 0.232 23 G C -0.131 174.763 174.900 -0.011 0.000 1.458 23 G CA 0.081 45.169 45.100 -0.019 0.000 1.062 23 G HN 0.694 nan 8.290 nan 0.000 0.566 24 T N 0.217 114.767 114.554 -0.007 0.000 2.991 24 T HA 0.396 4.746 4.350 -0.000 0.000 0.303 24 T C -0.229 174.471 174.700 -0.000 0.000 1.015 24 T CA -0.213 61.885 62.100 -0.003 0.000 1.007 24 T CB 1.465 70.333 68.868 -0.001 0.000 1.034 24 T HN 0.336 nan 8.240 nan 0.000 0.446 25 I N 3.079 123.649 120.570 0.000 0.000 2.529 25 I HA 0.452 4.622 4.170 -0.000 0.000 0.284 25 I C -0.164 175.955 176.117 0.003 0.000 1.082 25 I CA -0.238 61.063 61.300 0.001 0.000 1.406 25 I CB 0.874 38.874 38.000 0.001 0.000 1.405 25 I HN 0.261 nan 8.210 nan 0.000 0.548 26 V N 6.211 126.126 119.914 0.003 0.000 3.130 26 V HA 0.408 4.528 4.120 -0.000 0.000 0.310 26 V C -0.607 175.488 176.094 0.003 0.000 1.158 26 V CA -1.005 61.298 62.300 0.005 0.000 1.029 26 V CB 2.722 34.549 31.823 0.006 0.000 1.057 26 V HN 0.626 nan 8.190 nan 0.000 0.436 27 K N 1.302 121.704 120.400 0.003 0.000 2.221 27 K HA 0.742 5.062 4.320 -0.000 0.000 0.258 27 K C -0.340 176.261 176.600 0.002 0.000 0.944 27 K CA -0.548 55.739 56.287 0.001 0.000 0.823 27 K CB 2.022 34.521 32.500 -0.002 0.000 1.113 27 K HN 0.929 nan 8.250 nan 0.000 0.431 28 T N -2.068 112.486 114.554 0.000 0.000 2.572 28 T HA 0.414 4.764 4.350 -0.000 0.000 0.244 28 T C 1.129 175.829 174.700 -0.001 0.000 0.860 28 T CA -0.791 61.309 62.100 0.001 0.000 1.125 28 T CB 0.172 69.040 68.868 0.000 0.000 1.491 28 T HN 0.426 nan 8.240 nan 0.000 0.532 29 I N 1.122 121.692 120.570 -0.001 0.000 3.228 29 I HA 0.065 4.235 4.170 -0.000 0.000 0.279 29 I C 1.999 178.115 176.117 -0.002 0.000 1.221 29 I CA 0.958 62.257 61.300 -0.002 0.000 1.458 29 I CB 0.058 38.057 38.000 -0.001 0.000 1.105 29 I HN 0.856 nan 8.210 nan 0.000 0.445 30 T N -3.813 110.739 114.554 -0.002 0.000 3.085 30 T HA 0.281 4.631 4.350 -0.000 0.000 0.264 30 T C 0.143 174.842 174.700 -0.002 0.000 1.019 30 T CA -0.334 61.765 62.100 -0.002 0.000 0.910 30 T CB 0.201 69.068 68.868 -0.002 0.000 1.059 30 T HN -0.034 nan 8.240 nan 0.000 0.542 31 D N 1.600 121.999 120.400 -0.002 0.000 2.927 31 D HA 0.150 4.789 4.640 -0.000 0.000 0.219 31 D C -0.526 175.772 176.300 -0.003 0.000 1.248 31 D CA -0.323 53.676 54.000 -0.002 0.000 0.861 31 D CB 2.247 43.046 40.800 -0.001 0.000 1.677 31 D HN 0.220 nan 8.370 nan 0.000 0.511 32 D N 0.202 120.600 120.400 -0.003 0.000 2.360 32 D HA -0.037 4.603 4.640 -0.000 0.000 0.210 32 D C -0.030 176.268 176.300 -0.003 0.000 1.047 32 D CA 0.300 54.297 54.000 -0.005 0.000 0.854 32 D CB 1.095 41.892 40.800 -0.006 0.000 0.936 32 D HN 0.294 nan 8.370 nan 0.000 0.514 33 Q N 0.451 120.250 119.800 -0.002 0.000 2.309 33 Q HA 0.543 4.883 4.340 -0.000 0.000 0.254 33 Q C -1.483 174.517 176.000 -0.000 0.000 0.938 33 Q CA -0.264 55.539 55.803 -0.001 0.000 0.789 33 Q CB 2.676 31.413 28.738 -0.001 0.000 1.313 33 Q HN 0.162 nan 8.270 nan 0.000 0.438 34 I N 0.924 121.495 120.570 0.001 0.000 2.775 34 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 34 I C -1.322 174.796 176.117 0.002 0.000 1.287 34 I CA -0.485 60.816 61.300 0.001 0.000 1.029 34 I CB 2.199 40.199 38.000 0.001 0.000 1.282 34 I HN 0.543 nan 8.210 nan 0.000 0.426 35 E N 6.404 126.606 120.200 0.003 0.000 2.200 35 E HA 0.521 4.871 4.350 -0.000 0.000 0.283 35 E C -1.265 175.337 176.600 0.003 0.000 1.015 35 E CA -0.588 55.813 56.400 0.002 0.000 0.819 35 E CB 1.534 31.235 29.700 0.002 0.000 1.081 35 E HN 0.446 nan 8.360 nan 0.000 0.397 36 V N 1.125 121.040 119.914 0.002 0.000 2.960 36 V HA 0.357 4.477 4.120 -0.000 0.000 0.315 36 V C 1.232 177.325 176.094 -0.002 0.000 1.087 36 V CA -0.084 62.218 62.300 0.004 0.000 0.982 36 V CB 1.129 32.956 31.823 0.007 0.000 1.039 36 V HN 0.852 nan 8.190 nan 0.000 0.437 37 T N -0.872 113.680 114.554 -0.003 0.000 2.833 37 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 37 T C 0.682 175.367 174.700 -0.024 0.000 1.054 37 T CA 1.823 63.901 62.100 -0.037 0.000 1.135 37 T CB -0.509 68.310 68.868 -0.081 0.000 0.869 37 T HN 0.989 nan 8.240 nan 0.000 0.466 38 N N -0.304 118.397 118.700 0.001 0.000 2.598 38 N HA 0.598 5.338 4.740 -0.000 0.000 0.263 38 N C -1.784 173.732 175.510 0.011 0.000 1.254 38 N CA -0.068 52.985 53.050 0.005 0.000 0.863 38 N CB 1.701 40.196 38.487 0.014 0.000 1.586 38 N HN 0.504 nan 8.380 nan 0.000 0.491 39 A N 0.230 123.055 122.820 0.009 0.000 2.599 39 A HA 0.772 5.092 4.320 -0.000 0.000 0.290 39 A C -1.331 176.258 177.584 0.009 0.000 1.101 39 A CA -0.494 51.550 52.037 0.010 0.000 0.674 39 A CB 1.290 20.296 19.000 0.010 0.000 1.277 39 A HN 0.596 nan 8.150 nan 0.000 0.419 40 T N -0.268 114.292 114.554 0.010 0.000 2.900 40 T HA 0.549 4.899 4.350 -0.000 0.000 0.295 40 T C -1.289 173.418 174.700 0.013 0.000 1.044 40 T CA -0.379 61.727 62.100 0.008 0.000 0.995 40 T CB 1.467 70.337 68.868 0.004 0.000 1.072 40 T HN 0.560 nan 8.240 nan 0.000 0.473 41 E N 3.039 123.247 120.200 0.013 0.000 2.289 41 E HA 0.259 4.609 4.350 -0.000 0.000 0.278 41 E C 0.525 177.139 176.600 0.022 0.000 1.032 41 E CA -0.101 56.312 56.400 0.021 0.000 0.854 41 E CB 1.176 30.887 29.700 0.019 0.000 1.046 41 E HN 0.609 nan 8.360 nan 0.000 0.409 42 L N 2.391 123.643 121.223 0.049 0.000 2.616 42 L HA 0.156 4.496 4.340 -0.000 0.000 0.229 42 L C 0.209 177.139 176.870 0.099 0.000 1.110 42 L CA 0.103 54.973 54.840 0.051 0.000 0.884 42 L CB 0.656 42.781 42.059 0.110 0.000 1.115 42 L HN 0.129 nan 8.230 nan 0.000 0.481 43 V N 0.945 120.922 119.914 0.105 0.000 2.311 43 V HA 0.221 4.341 4.120 -0.000 0.000 0.275 43 V C 0.185 176.316 176.094 0.061 0.000 1.022 43 V CA -0.647 61.718 62.300 0.109 0.000 0.830 43 V CB 1.206 33.075 31.823 0.076 0.000 1.012 43 V HN 0.094 nan 8.190 nan 0.000 0.452 44 Q N 2.926 122.762 119.800 0.060 0.000 2.262 44 Q HA 0.120 4.460 4.340 -0.000 0.000 0.272 44 Q C 0.991 177.023 176.000 0.053 0.000 1.076 44 Q CA 0.432 56.264 55.803 0.048 0.000 0.905 44 Q CB 1.343 30.111 28.738 0.050 0.000 1.182 44 Q HN 0.963 nan 8.270 nan 0.000 0.390 45 S N 0.715 116.441 115.700 0.043 0.000 2.603 45 S HA 0.280 4.750 4.470 -0.000 0.000 0.232 45 S C 0.510 175.137 174.600 0.045 0.000 1.016 45 S CA -0.459 57.767 58.200 0.044 0.000 0.976 45 S CB 0.751 63.969 63.200 0.030 0.000 0.921 45 S HN 0.234 nan 8.310 nan 0.000 0.516 46 S N 1.014 116.739 115.700 0.042 0.000 2.542 46 S HA 0.770 5.240 4.470 -0.000 0.000 0.293 46 S C -0.901 173.723 174.600 0.041 0.000 1.089 46 S CA -0.442 57.781 58.200 0.038 0.000 0.961 46 S CB 2.034 65.251 63.200 0.029 0.000 1.062 46 S HN 0.395 nan 8.310 nan 0.000 0.483 47 S N 0.616 116.340 115.700 0.039 0.000 2.566 47 S HA 0.474 4.944 4.470 -0.000 0.000 0.298 47 S C 1.290 175.909 174.600 0.031 0.000 1.083 47 S CA -0.015 58.209 58.200 0.039 0.000 0.978 47 S CB 1.297 64.523 63.200 0.043 0.000 1.073 47 S HN 0.880 nan 8.310 nan 0.000 0.491 48 T N 0.709 115.282 114.554 0.030 0.000 2.951 48 T HA 0.226 4.576 4.350 -0.000 0.000 0.268 48 T C 1.492 176.206 174.700 0.023 0.000 1.073 48 T CA 1.293 63.408 62.100 0.025 0.000 1.134 48 T CB -0.699 68.183 68.868 0.024 0.000 0.884 48 T HN 1.895 nan 8.240 nan 0.000 0.479 49 G N -0.008 108.808 108.800 0.027 0.000 2.176 49 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.232 49 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.232 49 G C 0.067 174.981 174.900 0.022 0.000 0.986 49 G CA 0.102 45.216 45.100 0.024 0.000 0.643 49 G HN 0.839 nan 8.290 nan 0.000 0.522 50 K N -0.642 119.773 120.400 0.024 0.000 2.443 50 K HA 0.779 5.099 4.320 -0.000 0.000 0.251 50 K C -0.270 176.347 176.600 0.030 0.000 0.972 50 K CA -0.625 55.675 56.287 0.023 0.000 0.833 50 K CB 2.272 34.784 32.500 0.019 0.000 1.317 50 K HN 0.432 nan 8.250 nan 0.000 0.441 51 I N 1.185 121.772 120.570 0.028 0.000 2.307 51 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 51 I C -0.065 176.076 176.117 0.040 0.000 1.021 51 I CA -0.663 60.661 61.300 0.040 0.000 1.224 51 I CB 0.857 38.876 38.000 0.032 0.000 1.376 51 I HN 0.586 nan 8.210 nan 0.000 0.470 52 c N 6.250 124.879 118.600 0.048 0.000 2.592 52 c HA -0.063 4.507 4.570 -0.000 0.000 0.408 52 c C 2.114 176.229 174.090 0.040 0.000 1.436 52 c CA -0.570 55.782 56.329 0.037 0.000 1.595 52 c CB -0.875 41.655 42.510 0.033 0.000 2.487 52 c HN 0.839 nan 8.230 nan 0.000 0.610 53 N N 3.003 121.718 118.700 0.025 0.000 2.588 53 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 53 N C 0.189 175.715 175.510 0.026 0.000 1.094 53 N CA 1.337 54.402 53.050 0.025 0.000 0.921 53 N CB -0.216 38.279 38.487 0.013 0.000 0.959 53 N HN 0.921 nan 8.380 nan 0.000 0.448 54 N N -1.368 117.337 118.700 0.008 0.000 3.348 54 N HA 0.246 4.986 4.740 -0.000 0.000 0.233 54 N C -3.203 172.239 175.510 -0.114 0.000 1.440 54 N CA -0.703 52.326 53.050 -0.034 0.000 0.887 54 N CB 1.631 40.104 38.487 -0.023 0.000 1.410 54 N HN -0.117 nan 8.380 nan 0.000 0.502 55 P HA -0.026 nan 4.420 nan 0.000 0.535 55 P C -1.469 175.712 177.300 -0.198 0.000 0.553 55 P CA 0.177 63.110 63.100 -0.278 0.000 2.509 55 P CB -0.218 31.176 31.700 -0.510 0.000 1.141 56 H N 0.673 119.805 119.070 0.104 0.000 2.767 56 H HA 0.306 4.862 4.556 -0.000 0.000 0.316 56 H C 0.619 176.000 175.328 0.088 0.000 1.059 56 H CA 0.032 56.161 56.048 0.134 0.000 1.461 56 H CB 0.379 30.280 29.762 0.232 0.000 1.475 56 H HN -0.154 nan 8.280 nan 0.000 0.531 57 R N 4.828 125.446 120.500 0.197 0.000 2.457 57 R HA 0.138 4.478 4.340 -0.000 0.000 0.335 57 R C 0.036 176.423 176.300 0.145 0.000 1.003 57 R CA -0.143 56.037 56.100 0.134 0.000 1.003 57 R CB -1.880 28.487 30.300 0.113 0.000 0.950 57 R HN 0.573 nan 8.270 nan 0.000 0.428 58 I N 4.242 124.872 120.570 0.100 0.000 2.498 58 I HA 0.461 4.631 4.170 -0.000 0.000 0.301 58 I C -0.293 175.834 176.117 0.016 0.000 0.984 58 I CA -1.108 60.224 61.300 0.054 0.000 1.204 58 I CB 1.844 39.861 38.000 0.029 0.000 1.362 58 I HN 0.445 nan 8.210 nan 0.000 0.471 59 L N 5.648 126.829 121.223 -0.071 0.000 2.441 59 L HA 0.415 4.755 4.340 -0.000 0.000 0.270 59 L C -0.797 175.823 176.870 -0.416 0.000 0.973 59 L CA -0.269 54.469 54.840 -0.170 0.000 0.842 59 L CB 1.432 43.425 42.059 -0.111 0.000 1.239 59 L HN 0.421 nan 8.230 nan 0.000 0.406 60 D N 3.101 123.354 120.400 -0.244 0.000 2.325 60 D HA 0.241 4.881 4.640 -0.000 0.000 0.251 60 D C 1.155 177.319 176.300 -0.227 0.000 1.196 60 D CA 0.570 54.427 54.000 -0.238 0.000 0.866 60 D CB 2.011 42.755 40.800 -0.094 0.000 1.101 60 D HN 0.787 nan 8.370 nan 0.000 0.476 61 G N 3.815 112.341 108.800 -0.456 0.000 2.448 61 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 61 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 61 G C 1.223 176.128 174.900 0.008 0.000 1.127 61 G CA 0.893 45.766 45.100 -0.379 0.000 0.766 61 G HN 0.788 nan 8.290 nan 0.000 0.552 62 R N -1.411 119.100 120.500 0.019 0.000 1.732 62 R HA -0.341 3.999 4.340 -0.000 0.000 0.091 62 R C 1.572 177.912 176.300 0.066 0.000 0.933 62 R CA 2.096 58.240 56.100 0.073 0.000 1.938 62 R CB -1.550 28.837 30.300 0.144 0.000 0.530 62 R HN 0.879 nan 8.270 nan 0.000 0.704 63 A N -1.691 121.155 122.820 0.044 0.000 2.584 63 A HA 0.336 4.656 4.320 -0.000 0.000 0.220 63 A C -0.468 177.009 177.584 -0.178 0.000 1.182 63 A CA -0.075 51.946 52.037 -0.026 0.000 1.043 63 A CB 0.620 19.649 19.000 0.049 0.000 1.164 63 A HN 0.242 nan 8.150 nan 0.000 0.506 64 c N 1.325 119.811 118.600 -0.190 0.000 2.379 64 c HA 0.691 5.261 4.570 -0.000 0.000 0.323 64 c C 0.679 174.615 174.090 -0.258 0.000 1.262 64 c CA -0.343 55.783 56.329 -0.338 0.000 1.581 64 c CB 0.941 43.134 42.510 -0.528 0.000 2.221 64 c HN 0.491 nan 8.230 nan 0.000 0.497 65 T N 2.950 117.376 114.554 -0.212 0.000 2.899 65 T HA 0.111 4.461 4.350 -0.000 0.000 0.295 65 T C 1.259 175.721 174.700 -0.398 0.000 1.033 65 T CA -0.291 61.700 62.100 -0.183 0.000 1.084 65 T CB 0.645 69.475 68.868 -0.064 0.000 0.979 65 T HN 0.604 nan 8.240 nan 0.000 0.532 66 L N 3.144 123.957 121.223 -0.683 0.000 2.081 66 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 66 L C 2.009 178.481 176.870 -0.664 0.000 1.080 66 L CA 1.709 55.870 54.840 -1.132 0.000 0.754 66 L CB -0.719 40.504 42.059 -1.393 0.000 0.893 66 L HN 0.618 nan 8.230 nan 0.000 0.433 67 I N -0.190 120.092 120.570 -0.479 0.000 2.113 67 I HA -0.275 3.895 4.170 -0.000 0.000 0.238 67 I C 2.240 178.162 176.117 -0.324 0.000 1.070 67 I CA 1.468 62.527 61.300 -0.402 0.000 1.332 67 I CB -1.491 36.329 38.000 -0.300 0.000 1.044 67 I HN 0.300 nan 8.210 nan 0.000 0.402 68 D N 0.979 121.248 120.400 -0.219 0.000 2.158 68 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 68 D C 2.200 178.388 176.300 -0.188 0.000 0.995 68 D CA 1.589 55.488 54.000 -0.169 0.000 0.846 68 D CB -0.014 40.722 40.800 -0.108 0.000 0.941 68 D HN 0.354 nan 8.370 nan 0.000 0.456 69 A N 0.508 123.168 122.820 -0.268 0.000 1.898 69 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 69 A C 2.198 179.722 177.584 -0.100 0.000 1.181 69 A CA 0.916 52.837 52.037 -0.193 0.000 0.620 69 A CB -0.635 18.165 19.000 -0.333 0.000 0.819 69 A HN 0.267 nan 8.150 nan 0.000 0.442 70 L N -0.295 120.807 121.223 -0.202 0.000 2.017 70 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 70 L C 2.235 179.050 176.870 -0.092 0.000 1.073 70 L CA 1.676 56.409 54.840 -0.177 0.000 0.745 70 L CB -0.328 41.478 42.059 -0.421 0.000 0.894 70 L HN 0.378 nan 8.230 nan 0.000 0.432 71 L N -0.365 120.728 121.223 -0.216 0.000 2.093 71 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 71 L C 1.455 178.315 176.870 -0.016 0.000 1.085 71 L CA 0.927 55.611 54.840 -0.260 0.000 0.755 71 L CB -0.703 40.944 42.059 -0.687 0.000 0.904 71 L HN 0.622 nan 8.230 nan 0.000 0.435 72 G N 0.217 109.042 108.800 0.042 0.000 2.237 72 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.153 72 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.153 72 G C -0.168 174.781 174.900 0.081 0.000 1.039 72 G CA -0.225 44.911 45.100 0.059 0.000 0.719 72 G HN 0.260 nan 8.290 nan 0.000 0.491 73 D N 0.291 120.747 120.400 0.092 0.000 2.493 73 D HA 0.175 4.815 4.640 -0.000 0.000 0.240 73 D C -0.005 176.303 176.300 0.013 0.000 1.142 73 D CA -1.187 52.821 54.000 0.013 0.000 0.872 73 D CB 1.141 41.968 40.800 0.044 0.000 1.173 73 D HN 0.124 nan 8.370 nan 0.000 0.467 74 P HA -0.238 nan 4.420 nan 0.000 0.218 74 P C 1.107 178.493 177.300 0.143 0.000 1.165 74 P CA 1.977 65.129 63.100 0.086 0.000 0.922 74 P CB -0.231 31.524 31.700 0.091 0.000 0.794 75 H N -1.949 117.155 119.070 0.056 0.000 2.567 75 H HA 0.062 4.618 4.556 -0.000 0.000 0.276 75 H C 0.570 175.957 175.328 0.098 0.000 1.016 75 H CA 0.776 56.869 56.048 0.074 0.000 1.186 75 H CB -1.291 28.531 29.762 0.101 0.000 1.351 75 H HN 0.179 nan 8.280 nan 0.000 0.605 76 c N 0.642 119.157 118.600 -0.141 0.000 3.104 76 c HA 0.147 4.717 4.570 -0.000 0.000 0.284 76 c C 1.663 175.853 174.090 0.168 0.000 1.326 76 c CA -0.564 55.769 56.329 0.007 0.000 1.725 76 c CB 0.019 42.412 42.510 -0.194 0.000 2.156 76 c HN 0.471 nan 8.230 nan 0.000 0.638 77 D N 1.530 121.977 120.400 0.079 0.000 2.310 77 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 77 D C 1.952 178.278 176.300 0.043 0.000 0.965 77 D CA 1.007 55.046 54.000 0.065 0.000 0.879 77 D CB 0.227 41.050 40.800 0.037 0.000 0.921 77 D HN 0.349 nan 8.370 nan 0.000 0.510 78 V N 0.290 120.192 119.914 -0.020 0.000 2.759 78 V HA -0.184 3.936 4.120 -0.000 0.000 0.256 78 V C 1.670 177.618 176.094 -0.244 0.000 1.080 78 V CA 1.053 63.244 62.300 -0.181 0.000 1.101 78 V CB -0.738 30.875 31.823 -0.350 0.000 0.698 78 V HN 0.106 nan 8.190 nan 0.000 0.477 79 F N -0.443 119.515 119.950 0.014 0.000 2.797 79 F HA 0.187 4.714 4.527 -0.000 0.000 0.302 79 F C 1.399 177.253 175.800 0.090 0.000 1.130 79 F CA -0.220 57.815 58.000 0.058 0.000 1.387 79 F CB -0.401 38.639 39.000 0.068 0.000 1.107 79 F HN 0.151 nan 8.300 nan 0.000 0.577 80 Q N 1.428 121.338 119.800 0.184 0.000 2.264 80 Q HA -0.110 4.230 4.340 -0.000 0.000 0.296 80 Q C 0.193 176.282 176.000 0.150 0.000 1.103 80 Q CA 0.405 56.294 55.803 0.144 0.000 0.967 80 Q CB -0.113 28.668 28.738 0.071 0.000 1.090 80 Q HN 0.314 nan 8.270 nan 0.000 0.379 81 N N 0.708 119.524 118.700 0.193 0.000 2.850 81 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 81 N C -0.641 174.983 175.510 0.191 0.000 1.060 81 N CA 1.136 54.291 53.050 0.174 0.000 0.825 81 N CB -0.736 37.812 38.487 0.102 0.000 1.132 81 N HN 0.600 nan 8.380 nan 0.000 0.564 82 E N 0.308 120.674 120.200 0.278 0.000 2.409 82 E HA 0.443 4.793 4.350 -0.000 0.000 0.257 82 E C 0.633 177.451 176.600 0.364 0.000 1.150 82 E CA 0.406 56.994 56.400 0.314 0.000 0.942 82 E CB 0.597 30.552 29.700 0.425 0.000 0.979 82 E HN 0.323 nan 8.360 nan 0.000 0.447 83 T N -0.740 113.995 114.554 0.300 0.000 2.888 83 T HA 0.822 5.172 4.350 -0.000 0.000 0.288 83 T C -1.220 173.671 174.700 0.318 0.000 1.063 83 T CA -0.805 61.356 62.100 0.102 0.000 1.010 83 T CB 0.880 69.719 68.868 -0.049 0.000 1.214 83 T HN 0.678 nan 8.240 nan 0.000 0.533 84 W N -0.523 120.824 121.300 0.078 0.000 3.499 84 W HA 0.603 5.263 4.660 -0.000 0.000 0.288 84 W C -0.908 175.633 176.519 0.037 0.000 1.258 84 W CA -0.774 56.608 57.345 0.061 0.000 1.203 84 W CB 0.126 29.647 29.460 0.102 0.000 1.325 84 W HN 0.497 nan 8.180 nan 0.000 0.564 85 D N 0.920 121.431 120.400 0.184 0.000 2.216 85 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 85 D C -0.301 176.051 176.300 0.087 0.000 0.960 85 D CA 1.113 55.185 54.000 0.120 0.000 0.861 85 D CB 0.732 41.653 40.800 0.202 0.000 0.985 85 D HN 0.270 nan 8.370 nan 0.000 0.493 86 L N 0.628 121.928 121.223 0.129 0.000 2.491 86 L HA 0.329 4.669 4.340 -0.000 0.000 0.267 86 L C -1.479 175.390 176.870 -0.002 0.000 0.971 86 L CA -0.683 54.106 54.840 -0.085 0.000 0.857 86 L CB 1.430 43.188 42.059 -0.501 0.000 1.226 86 L HN -0.268 nan 8.230 nan 0.000 0.408 87 F N 4.966 124.742 119.950 -0.290 0.000 2.412 87 F HA 0.597 5.124 4.527 -0.000 0.000 0.348 87 F C -0.183 175.424 175.800 -0.322 0.000 1.102 87 F CA 0.015 57.698 58.000 -0.527 0.000 1.196 87 F CB 1.135 39.498 39.000 -1.060 0.000 1.144 87 F HN 0.230 nan 8.300 nan 0.000 0.541 88 V N 5.778 125.478 119.914 -0.357 0.000 2.304 88 V HA 0.213 4.333 4.120 -0.000 0.000 0.278 88 V C -0.457 175.569 176.094 -0.114 0.000 1.018 88 V CA -0.823 61.377 62.300 -0.167 0.000 0.814 88 V CB 1.080 32.799 31.823 -0.174 0.000 1.021 88 V HN 0.675 nan 8.190 nan 0.000 0.440 89 E N 4.692 124.912 120.200 0.033 0.000 2.229 89 E HA 0.389 4.739 4.350 -0.000 0.000 0.283 89 E C -0.344 176.254 176.600 -0.005 0.000 1.030 89 E CA -0.707 55.718 56.400 0.041 0.000 0.836 89 E CB 1.158 30.882 29.700 0.040 0.000 1.068 89 E HN 0.430 nan 8.360 nan 0.000 0.401 90 R N 1.153 121.647 120.500 -0.009 0.000 2.459 90 R HA 0.081 4.421 4.340 -0.000 0.000 0.281 90 R C 1.151 177.460 176.300 0.014 0.000 1.050 90 R CA -0.187 55.913 56.100 0.000 0.000 1.055 90 R CB 1.033 31.338 30.300 0.007 0.000 1.045 90 R HN 0.638 nan 8.270 nan 0.000 0.495 91 S N 0.433 116.143 115.700 0.017 0.000 2.474 91 S HA -0.144 4.326 4.470 -0.000 0.000 0.235 91 S C 0.938 175.563 174.600 0.042 0.000 0.997 91 S CA 1.138 59.351 58.200 0.021 0.000 0.949 91 S CB -0.378 62.832 63.200 0.016 0.000 0.766 91 S HN 0.795 nan 8.310 nan 0.000 0.517 92 N N 0.825 119.561 118.700 0.060 0.000 2.235 92 N HA 0.382 5.122 4.740 -0.000 0.000 0.209 92 N C 0.398 176.004 175.510 0.160 0.000 1.122 92 N CA -0.093 53.018 53.050 0.102 0.000 0.845 92 N CB 0.223 38.769 38.487 0.098 0.000 1.004 92 N HN 0.412 nan 8.380 nan 0.000 0.499 93 A N 1.142 124.021 122.820 0.097 0.000 2.466 93 A HA 0.415 4.735 4.320 -0.000 0.000 0.238 93 A C -0.325 177.336 177.584 0.129 0.000 1.074 93 A CA -0.139 51.927 52.037 0.049 0.000 0.774 93 A CB -0.080 18.909 19.000 -0.019 0.000 1.015 93 A HN 0.512 nan 8.150 nan 0.000 0.498 94 F N -1.141 118.895 119.950 0.143 0.000 2.643 94 F HA 0.776 5.303 4.527 0.000 0.000 0.314 94 F C -0.357 175.573 175.800 0.216 0.000 1.096 94 F CA -1.013 57.060 58.000 0.123 0.000 0.953 94 F CB 1.143 40.177 39.000 0.057 0.000 1.345 94 F HN 0.311 nan 8.300 nan 0.000 0.468 95 S N 0.400 116.330 115.700 0.384 0.000 2.472 95 S HA 0.386 4.856 4.470 -0.000 0.000 0.303 95 S C -0.218 174.647 174.600 0.442 0.000 1.099 95 S CA -0.633 57.793 58.200 0.376 0.000 1.077 95 S CB 0.968 64.383 63.200 0.358 0.000 1.031 95 S HN 0.886 nan 8.310 nan 0.000 0.487 96 N N 0.008 118.942 118.700 0.391 0.000 2.307 96 N HA 0.194 4.934 4.740 -0.000 0.000 0.248 96 N C 0.046 175.644 175.510 0.146 0.000 1.322 96 N CA -0.362 52.839 53.050 0.252 0.000 0.861 96 N CB 0.298 38.920 38.487 0.225 0.000 1.303 96 N HN 0.442 nan 8.380 nan 0.000 0.498 97 c N -0.353 118.319 118.600 0.120 0.000 2.566 97 c HA 0.465 5.035 4.570 -0.000 0.000 0.401 97 c C 0.137 174.252 174.090 0.042 0.000 2.232 97 c CA -0.583 55.699 56.329 -0.078 0.000 1.808 97 c CB 0.240 42.436 42.510 -0.523 0.000 2.068 97 c HN 0.458 nan 8.230 nan 0.000 0.441 98 Y N 2.348 122.550 120.300 -0.163 0.000 2.620 98 Y HA 0.245 4.794 4.550 -0.000 0.000 0.330 98 Y C -1.890 174.213 175.900 0.339 0.000 1.186 98 Y CA -0.845 57.337 58.100 0.136 0.000 1.467 98 Y CB 0.203 38.810 38.460 0.245 0.000 1.262 98 Y HN 0.492 nan 8.280 nan 0.000 0.550 99 P HA -0.046 nan 4.420 nan 0.000 0.256 99 P C -1.641 175.861 177.300 0.337 0.000 1.173 99 P CA 0.955 64.083 63.100 0.045 0.000 0.768 99 P CB -0.311 31.275 31.700 -0.189 0.000 0.758 100 Y N 1.015 121.429 120.300 0.190 0.000 2.633 100 Y HA 0.809 5.359 4.550 -0.000 0.000 0.339 100 Y C -0.927 175.022 175.900 0.082 0.000 1.045 100 Y CA -1.595 56.605 58.100 0.166 0.000 1.098 100 Y CB 1.836 40.356 38.460 0.101 0.000 1.296 100 Y HN 0.241 nan 8.280 nan 0.000 0.494 101 D N 0.918 121.373 120.400 0.092 0.000 2.990 101 D HA 0.472 5.112 4.640 -0.000 0.000 0.227 101 D C -1.836 174.487 176.300 0.039 0.000 1.249 101 D CA -0.331 53.649 54.000 -0.032 0.000 0.891 101 D CB 1.569 42.369 40.800 -0.001 0.000 1.647 101 D HN 0.710 nan 8.370 nan 0.000 0.530 102 I N 3.874 124.473 120.570 0.049 0.000 2.382 102 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 102 I C -2.208 173.899 176.117 -0.017 0.000 1.007 102 I CA -2.128 59.177 61.300 0.007 0.000 1.142 102 I CB 1.789 39.874 38.000 0.143 0.000 1.289 102 I HN 0.203 nan 8.210 nan 0.000 0.453 103 P HA 0.086 nan 4.420 nan 0.000 0.271 103 P C -0.142 177.166 177.300 0.013 0.000 1.233 103 P CA 0.318 63.374 63.100 -0.074 0.000 0.764 103 P CB 0.351 31.976 31.700 -0.125 0.000 0.825 104 D N 1.924 122.374 120.400 0.082 0.000 2.809 104 D HA -0.246 4.394 4.640 -0.000 0.000 0.234 104 D C 0.416 176.832 176.300 0.193 0.000 1.111 104 D CA 0.434 54.526 54.000 0.154 0.000 0.726 104 D CB -1.521 39.402 40.800 0.205 0.000 1.089 104 D HN 0.453 nan 8.370 nan 0.000 0.436 105 Y N 0.360 120.670 120.300 0.016 0.000 2.102 105 Y HA -0.242 4.308 4.550 -0.000 0.000 0.280 105 Y C 2.255 178.111 175.900 -0.073 0.000 1.178 105 Y CA 3.336 61.416 58.100 -0.033 0.000 1.146 105 Y CB -0.494 37.935 38.460 -0.052 0.000 0.968 105 Y HN 0.240 nan 8.280 nan 0.000 0.504 106 A N -0.498 122.438 122.820 0.194 0.000 1.873 106 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 106 A C 2.430 179.972 177.584 -0.071 0.000 1.193 106 A CA 2.445 54.529 52.037 0.077 0.000 0.629 106 A CB -1.413 17.635 19.000 0.080 0.000 0.826 106 A HN 0.538 nan 8.150 nan 0.000 0.447 107 S N -0.872 114.804 115.700 -0.040 0.000 2.370 107 S HA -0.139 4.331 4.470 -0.000 0.000 0.226 107 S C 1.871 176.251 174.600 -0.367 0.000 1.033 107 S CA 1.485 59.628 58.200 -0.095 0.000 1.011 107 S CB -0.415 62.847 63.200 0.103 0.000 0.852 107 S HN 0.476 nan 8.310 nan 0.000 0.457 108 L N 2.002 122.878 121.223 -0.577 0.000 2.027 108 L HA 0.048 4.388 4.340 -0.000 0.000 0.206 108 L C 2.310 178.796 176.870 -0.640 0.000 1.074 108 L CA 1.713 56.009 54.840 -0.907 0.000 0.745 108 L CB -0.588 40.940 42.059 -0.885 0.000 0.898 108 L HN 0.140 nan 8.230 nan 0.000 0.433 109 R N -1.248 118.902 120.500 -0.583 0.000 2.127 109 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 109 R C 2.459 178.556 176.300 -0.339 0.000 1.134 109 R CA 1.565 57.363 56.100 -0.504 0.000 0.975 109 R CB -0.299 29.728 30.300 -0.455 0.000 0.865 109 R HN 0.540 nan 8.270 nan 0.000 0.447 110 S N 0.550 116.087 115.700 -0.272 0.000 2.345 110 S HA -0.113 4.357 4.470 -0.000 0.000 0.219 110 S C 1.993 176.495 174.600 -0.164 0.000 1.031 110 S CA 1.255 59.352 58.200 -0.172 0.000 0.984 110 S CB -0.232 62.896 63.200 -0.119 0.000 0.874 110 S HN 0.404 nan 8.310 nan 0.000 0.451 111 L N 0.832 121.914 121.223 -0.235 0.000 2.201 111 L HA 0.165 4.504 4.340 -0.000 0.000 0.212 111 L C 2.152 178.910 176.870 -0.187 0.000 1.105 111 L CA 1.264 55.980 54.840 -0.206 0.000 0.775 111 L CB -1.106 40.787 42.059 -0.277 0.000 0.913 111 L HN 0.179 nan 8.230 nan 0.000 0.440 112 V N 0.748 120.517 119.914 -0.242 0.000 2.346 112 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 112 V C 3.048 179.197 176.094 0.091 0.000 1.037 112 V CA 1.557 63.769 62.300 -0.147 0.000 1.029 112 V CB -1.146 30.516 31.823 -0.269 0.000 0.663 112 V HN 0.589 nan 8.190 nan 0.000 0.454 113 A N -0.544 122.303 122.820 0.045 0.000 1.917 113 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 113 A C 2.546 180.302 177.584 0.287 0.000 1.182 113 A CA 2.509 54.691 52.037 0.241 0.000 0.633 113 A CB -0.875 18.120 19.000 -0.007 0.000 0.819 113 A HN 0.469 nan 8.150 nan 0.000 0.448 114 S N -1.102 114.649 115.700 0.084 0.000 2.402 114 S HA -0.112 4.358 4.470 -0.000 0.000 0.229 114 S C 2.284 176.870 174.600 -0.023 0.000 1.021 114 S CA 1.608 59.831 58.200 0.039 0.000 0.974 114 S CB -0.377 62.822 63.200 -0.001 0.000 0.800 114 S HN 0.630 nan 8.310 nan 0.000 0.484 115 S N -0.004 115.664 115.700 -0.053 0.000 2.383 115 S HA 0.086 4.556 4.470 -0.000 0.000 0.227 115 S C 1.424 175.831 174.600 -0.321 0.000 1.026 115 S CA 1.465 59.585 58.200 -0.133 0.000 0.981 115 S CB -0.803 62.334 63.200 -0.104 0.000 0.818 115 S HN 1.116 nan 8.310 nan 0.000 0.472 116 G N 0.425 108.901 108.800 -0.540 0.000 2.198 116 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 116 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 116 G C 0.190 174.060 174.900 -1.716 0.000 1.025 116 G CA 0.778 44.948 45.100 -1.550 0.000 0.769 116 G HN 0.938 nan 8.290 nan 0.000 0.507 117 T N -1.540 112.342 114.554 -1.120 0.000 2.885 117 T HA 0.578 4.928 4.350 -0.000 0.000 0.322 117 T C 0.341 175.067 174.700 0.044 0.000 1.387 117 T CA -0.545 61.277 62.100 -0.463 0.000 1.041 117 T CB 1.177 69.904 68.868 -0.235 0.000 1.287 117 T HN 0.401 nan 8.240 nan 0.000 0.491 118 L N 1.996 123.380 121.223 0.269 0.000 2.959 118 L HA 0.282 4.622 4.340 -0.000 0.000 0.259 118 L C 0.672 177.779 176.870 0.395 0.000 1.185 118 L CA -0.292 54.828 54.840 0.466 0.000 0.998 118 L CB 0.668 43.017 42.059 0.483 0.000 1.337 118 L HN 0.573 nan 8.230 nan 0.000 0.555 119 E N 1.028 121.356 120.200 0.212 0.000 2.752 119 E HA -0.127 4.223 4.350 -0.000 0.000 0.241 119 E C -0.649 175.973 176.600 0.036 0.000 1.016 119 E CA 0.406 56.864 56.400 0.095 0.000 0.952 119 E CB -0.210 29.495 29.700 0.009 0.000 0.921 119 E HN 0.158 nan 8.360 nan 0.000 0.515 120 F N 2.860 122.661 119.950 -0.248 0.000 2.436 120 F HA 0.511 5.038 4.527 -0.000 0.000 0.340 120 F C -0.052 175.501 175.800 -0.412 0.000 1.113 120 F CA -1.183 56.497 58.000 -0.532 0.000 1.022 120 F CB 0.921 39.539 39.000 -0.637 0.000 1.128 120 F HN 0.378 nan 8.300 nan 0.000 0.466 121 I N 5.885 125.720 120.570 -1.225 0.000 2.405 121 I HA 0.141 4.311 4.170 -0.000 0.000 0.280 121 I C -0.180 175.306 176.117 -1.052 0.000 1.027 121 I CA -0.420 60.288 61.300 -0.986 0.000 1.161 121 I CB 1.268 38.602 38.000 -1.110 0.000 1.300 121 I HN 0.533 nan 8.210 nan 0.000 0.463 122 T N 5.632 119.881 114.554 -0.508 0.000 2.928 122 T HA 0.094 4.444 4.350 -0.000 0.000 0.305 122 T C 0.108 174.721 174.700 -0.145 0.000 1.035 122 T CA 0.247 62.227 62.100 -0.200 0.000 1.145 122 T CB 0.509 69.422 68.868 0.076 0.000 0.963 122 T HN 0.503 nan 8.240 nan 0.000 0.545 123 E N 0.524 120.714 120.200 -0.016 0.000 2.263 123 E HA 0.497 4.847 4.350 -0.000 0.000 0.264 123 E C 0.369 177.051 176.600 0.136 0.000 0.923 123 E CA -1.068 55.370 56.400 0.064 0.000 0.802 123 E CB 1.353 31.138 29.700 0.141 0.000 1.228 123 E HN 0.700 nan 8.360 nan 0.000 0.417 124 G N 2.378 111.231 108.800 0.089 0.000 2.272 124 G HA2 0.089 4.049 3.960 -0.000 0.000 0.274 124 G HA3 0.089 4.049 3.960 -0.000 0.000 0.274 124 G C 0.120 175.023 174.900 0.004 0.000 1.136 124 G CA 0.064 45.206 45.100 0.071 0.000 1.098 124 G HN 0.403 nan 8.290 nan 0.000 0.425 125 F N 1.731 121.663 119.950 -0.031 0.000 2.579 125 F HA 0.499 5.026 4.527 -0.000 0.000 0.311 125 F C 0.945 176.474 175.800 -0.453 0.000 1.272 125 F CA 0.224 58.105 58.000 -0.200 0.000 1.335 125 F CB 0.759 39.813 39.000 0.089 0.000 1.191 125 F HN 0.454 nan 8.300 nan 0.000 0.575 126 T N -3.487 110.130 114.554 -1.561 0.000 4.645 126 T HA 0.115 4.465 4.350 -0.000 0.000 0.311 126 T C -1.380 172.783 174.700 -0.895 0.000 0.904 126 T CA -0.460 60.849 62.100 -1.319 0.000 0.907 126 T CB -1.714 66.652 68.868 -0.837 0.000 0.959 126 T HN 0.696 nan 8.240 nan 0.000 0.417 127 W N 2.563 123.924 121.300 0.103 0.000 1.864 127 W HA 0.462 5.122 4.660 0.000 0.000 0.425 127 W C 0.001 176.623 176.519 0.171 0.000 0.791 127 W CA -0.893 56.581 57.345 0.216 0.000 1.650 127 W CB -0.067 29.587 29.460 0.324 0.000 1.791 127 W HN 0.092 nan 8.180 nan 0.000 0.266 128 T N 1.724 116.363 114.554 0.141 0.000 2.729 128 T HA 0.447 4.797 4.350 -0.000 0.000 0.296 128 T C 1.059 175.801 174.700 0.070 0.000 0.928 128 T CA 0.471 62.627 62.100 0.094 0.000 1.045 128 T CB 1.050 69.918 68.868 0.000 0.000 0.902 128 T HN 0.720 nan 8.240 nan 0.000 0.500 129 G N 2.177 111.015 108.800 0.063 0.000 2.211 129 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.201 129 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.201 129 G C 0.052 174.929 174.900 -0.039 0.000 0.997 129 G CA -0.114 44.992 45.100 0.011 0.000 0.652 129 G HN 1.146 nan 8.290 nan 0.000 0.500 130 V N -2.206 117.694 119.914 -0.024 0.000 3.126 130 V HA 0.940 5.060 4.120 -0.000 0.000 0.314 130 V C 0.131 176.210 176.094 -0.025 0.000 1.138 130 V CA -0.425 61.817 62.300 -0.097 0.000 1.034 130 V CB 1.606 33.284 31.823 -0.241 0.000 1.075 130 V HN 0.318 nan 8.190 nan 0.000 0.442 131 T N 2.687 117.208 114.554 -0.056 0.000 2.806 131 T HA 0.499 4.849 4.350 -0.000 0.000 0.290 131 T C -0.193 174.464 174.700 -0.072 0.000 0.966 131 T CA -0.225 61.839 62.100 -0.059 0.000 1.060 131 T CB 0.978 69.793 68.868 -0.088 0.000 0.927 131 T HN 0.826 nan 8.240 nan 0.000 0.485 132 Q N 1.569 121.329 119.800 -0.067 0.000 2.293 132 Q HA 0.407 4.747 4.340 -0.000 0.000 0.216 132 Q C -0.019 175.926 176.000 -0.091 0.000 1.003 132 Q CA -1.228 54.528 55.803 -0.078 0.000 0.995 132 Q CB 0.627 29.326 28.738 -0.065 0.000 1.172 132 Q HN 0.617 nan 8.270 nan 0.000 0.518 133 N N -0.266 118.396 118.700 -0.063 0.000 2.714 133 N HA -0.149 4.591 4.740 -0.000 0.000 0.253 133 N C -0.433 175.011 175.510 -0.110 0.000 1.024 133 N CA 0.854 53.878 53.050 -0.043 0.000 0.726 133 N CB -1.636 36.833 38.487 -0.031 0.000 0.908 133 N HN 0.791 nan 8.380 nan 0.000 0.542 134 G N -0.965 107.724 108.800 -0.184 0.000 2.527 134 G HA2 0.549 4.509 3.960 -0.000 0.000 0.248 134 G HA3 0.549 4.509 3.960 -0.000 0.000 0.248 134 G C 0.599 175.315 174.900 -0.308 0.000 1.231 134 G CA 0.310 45.157 45.100 -0.421 0.000 0.838 134 G HN 0.490 nan 8.290 nan 0.000 0.570 135 G N -1.463 107.139 108.800 -0.329 0.000 2.725 135 G HA2 0.629 4.589 3.960 -0.000 0.000 0.288 135 G HA3 0.629 4.589 3.960 -0.000 0.000 0.288 135 G C -1.215 173.665 174.900 -0.032 0.000 1.399 135 G CA -0.031 45.036 45.100 -0.056 0.000 0.859 135 G HN 1.058 nan 8.290 nan 0.000 0.479 136 S N -1.820 113.982 115.700 0.171 0.000 2.564 136 S HA 0.524 4.994 4.470 -0.000 0.000 0.274 136 S C 1.291 175.984 174.600 0.155 0.000 1.124 136 S CA 0.454 58.784 58.200 0.217 0.000 0.869 136 S CB 1.638 65.167 63.200 0.548 0.000 1.105 136 S HN 1.471 nan 8.310 nan 0.000 0.472 137 S N 2.483 118.246 115.700 0.105 0.000 2.481 137 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 137 S C 1.700 176.346 174.600 0.077 0.000 0.996 137 S CA 0.777 59.016 58.200 0.065 0.000 0.942 137 S CB -0.471 62.748 63.200 0.031 0.000 0.768 137 S HN 0.999 nan 8.310 nan 0.000 0.520 138 A N -0.281 122.609 122.820 0.116 0.000 2.168 138 A HA 0.199 4.519 4.320 -0.000 0.000 0.215 138 A C 1.656 179.300 177.584 0.100 0.000 1.152 138 A CA 0.734 52.824 52.037 0.088 0.000 0.716 138 A CB -0.849 18.181 19.000 0.052 0.000 0.794 138 A HN 0.677 nan 8.150 nan 0.000 0.465 139 c N 1.253 119.928 118.600 0.124 0.000 2.751 139 c HA 0.311 4.881 4.570 -0.000 0.000 0.248 139 c C 0.036 174.160 174.090 0.056 0.000 1.710 139 c CA -1.116 55.249 56.329 0.059 0.000 1.676 139 c CB -1.469 41.052 42.510 0.020 0.000 3.106 139 c HN 0.311 nan 8.230 nan 0.000 0.502 140 K N 1.826 122.260 120.400 0.057 0.000 2.513 140 K HA -0.123 4.197 4.320 -0.000 0.000 0.275 140 K C 0.247 176.874 176.600 0.045 0.000 1.025 140 K CA 0.833 57.148 56.287 0.047 0.000 1.125 140 K CB 0.193 32.715 32.500 0.037 0.000 0.843 140 K HN 0.607 nan 8.250 nan 0.000 0.486 141 R N 2.020 122.546 120.500 0.043 0.000 2.664 141 R HA 0.240 4.580 4.340 -0.000 0.000 0.281 141 R C 0.534 176.855 176.300 0.035 0.000 1.383 141 R CA 0.558 56.683 56.100 0.042 0.000 1.563 141 R CB -0.011 30.315 30.300 0.043 0.000 1.131 141 R HN 0.901 nan 8.270 nan 0.000 0.599 142 G N 3.540 112.361 108.800 0.035 0.000 2.596 142 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.258 142 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.258 142 G C -1.717 173.197 174.900 0.023 0.000 1.207 142 G CA -0.109 45.007 45.100 0.028 0.000 0.954 142 G HN 0.496 nan 8.290 nan 0.000 0.551 143 P HA 0.472 nan 4.420 nan 0.000 0.226 143 P C 1.128 178.437 177.300 0.014 0.000 1.160 143 P CA 1.548 64.656 63.100 0.014 0.000 0.837 143 P CB 0.000 31.706 31.700 0.010 0.000 0.860 144 A N 0.542 123.371 122.820 0.014 0.000 2.346 144 A HA 0.203 4.523 4.320 -0.000 0.000 0.255 144 A C 0.285 177.881 177.584 0.021 0.000 1.113 144 A CA -0.037 52.007 52.037 0.012 0.000 0.798 144 A CB -0.403 18.603 19.000 0.010 0.000 1.073 144 A HN 0.023 nan 8.150 nan 0.000 0.502 145 N N -0.011 118.699 118.700 0.017 0.000 2.422 145 N HA 0.473 5.213 4.740 -0.000 0.000 0.266 145 N C 0.189 175.731 175.510 0.053 0.000 1.007 145 N CA 0.417 53.487 53.050 0.034 0.000 0.941 145 N CB 1.478 39.972 38.487 0.011 0.000 1.115 145 N HN 0.805 nan 8.380 nan 0.000 0.492 146 G N 0.341 109.193 108.800 0.086 0.000 2.938 146 G HA2 0.748 4.708 3.960 -0.000 0.000 0.258 146 G HA3 0.748 4.708 3.960 -0.000 0.000 0.258 146 G C -1.384 173.653 174.900 0.230 0.000 1.356 146 G CA -0.193 44.976 45.100 0.116 0.000 1.052 146 G HN 0.367 nan 8.290 nan 0.000 0.550 147 F N -2.169 117.761 119.950 -0.034 0.000 2.773 147 F HA 0.573 5.100 4.527 -0.000 0.000 0.314 147 F C -1.102 174.619 175.800 -0.132 0.000 1.160 147 F CA -1.855 56.093 58.000 -0.085 0.000 0.920 147 F CB 0.966 40.016 39.000 0.083 0.000 1.323 147 F HN 0.417 nan 8.300 nan 0.000 0.457 148 F N 2.463 122.061 119.950 -0.587 0.000 2.604 148 F HA 0.056 4.583 4.527 -0.000 0.000 0.393 148 F C 1.802 177.538 175.800 -0.108 0.000 1.043 148 F CA 1.035 58.808 58.000 -0.379 0.000 1.227 148 F CB 0.310 38.967 39.000 -0.572 0.000 1.016 148 F HN 0.512 nan 8.300 nan 0.000 0.556 149 S N 2.780 118.517 115.700 0.063 0.000 2.387 149 S HA -0.226 4.244 4.470 -0.000 0.000 0.230 149 S C 1.787 176.373 174.600 -0.024 0.000 1.035 149 S CA 0.992 59.207 58.200 0.025 0.000 1.014 149 S CB -0.129 63.056 63.200 -0.025 0.000 0.836 149 S HN 0.609 nan 8.310 nan 0.000 0.466 150 R N 1.136 121.583 120.500 -0.088 0.000 2.310 150 R HA 0.464 4.804 4.340 -0.000 0.000 0.202 150 R C -0.033 176.314 176.300 0.078 0.000 0.933 150 R CA 0.002 55.968 56.100 -0.225 0.000 1.054 150 R CB -0.834 29.212 30.300 -0.423 0.000 0.985 150 R HN 0.486 nan 8.270 nan 0.000 0.489 151 L N 0.427 121.770 121.223 0.200 0.000 2.341 151 L HA 0.420 4.760 4.340 -0.000 0.000 0.267 151 L C -0.116 176.997 176.870 0.406 0.000 1.009 151 L CA -0.993 54.047 54.840 0.332 0.000 0.819 151 L CB 1.787 44.069 42.059 0.373 0.000 1.323 151 L HN -0.175 nan 8.230 nan 0.000 0.425 152 N N 1.503 120.370 118.700 0.278 0.000 2.564 152 N HA 0.127 4.867 4.740 -0.000 0.000 0.248 152 N C -1.294 174.234 175.510 0.030 0.000 0.986 152 N CA -0.463 52.665 53.050 0.129 0.000 0.921 152 N CB 1.044 39.542 38.487 0.019 0.000 1.136 152 N HN 0.437 nan 8.380 nan 0.000 0.509 153 W N 6.799 127.917 121.300 -0.303 0.000 2.605 153 W HA 0.270 4.929 4.660 -0.000 0.000 0.327 153 W C -0.783 175.572 176.519 -0.273 0.000 1.332 153 W CA -0.714 56.360 57.345 -0.452 0.000 1.403 153 W CB -0.170 28.744 29.460 -0.910 0.000 1.452 153 W HN 0.380 nan 8.180 nan 0.000 0.503 154 L N 6.954 128.339 121.223 0.269 0.000 2.334 154 L HA 0.492 4.832 4.340 -0.000 0.000 0.277 154 L C 0.851 177.941 176.870 0.366 0.000 1.075 154 L CA -0.271 54.658 54.840 0.148 0.000 0.804 154 L CB 1.179 43.227 42.059 -0.017 0.000 1.174 154 L HN 0.319 nan 8.230 nan 0.000 0.438 155 T N -1.344 113.299 114.554 0.147 0.000 2.865 155 T HA 0.374 4.724 4.350 -0.000 0.000 0.294 155 T C -0.644 174.122 174.700 0.110 0.000 1.119 155 T CA -1.260 60.928 62.100 0.147 0.000 1.007 155 T CB 1.692 70.456 68.868 -0.172 0.000 1.225 155 T HN 0.586 nan 8.240 nan 0.000 0.515 156 K N 0.160 120.660 120.400 0.167 0.000 2.440 156 K HA 0.414 4.734 4.320 -0.000 0.000 0.270 156 K C -0.279 176.325 176.600 0.007 0.000 0.980 156 K CA -0.451 55.911 56.287 0.125 0.000 0.953 156 K CB 0.437 33.011 32.500 0.124 0.000 0.925 156 K HN 0.501 nan 8.250 nan 0.000 0.497 157 S N 1.745 117.446 115.700 0.000 0.000 2.647 157 S HA 0.164 4.634 4.470 -0.000 0.000 0.300 157 S C -1.249 173.353 174.600 0.004 0.000 1.129 157 S CA -0.549 57.645 58.200 -0.011 0.000 1.029 157 S CB 0.429 63.618 63.200 -0.018 0.000 1.007 157 S HN 0.775 nan 8.310 nan 0.000 0.484 158 E N 2.833 123.032 120.200 -0.001 0.000 2.291 158 E HA -0.153 4.197 4.350 -0.000 0.000 0.181 158 E C -0.005 176.604 176.600 0.016 0.000 1.480 158 E CA 0.728 57.131 56.400 0.005 0.000 0.674 158 E CB -1.696 28.009 29.700 0.007 0.000 1.108 158 E HN 0.860 nan 8.360 nan 0.000 0.357 159 S N -2.173 113.537 115.700 0.017 0.000 3.549 159 S HA -0.128 4.342 4.470 -0.000 0.000 0.366 159 S C -0.074 174.556 174.600 0.050 0.000 1.012 159 S CA 0.889 59.106 58.200 0.028 0.000 1.141 159 S CB -1.034 62.179 63.200 0.021 0.000 0.910 159 S HN 1.175 nan 8.310 nan 0.000 0.471 160 A N 0.255 123.117 122.820 0.071 0.000 2.582 160 A HA 0.632 4.952 4.320 -0.000 0.000 0.297 160 A C -1.391 176.287 177.584 0.157 0.000 1.059 160 A CA -0.653 51.447 52.037 0.105 0.000 0.705 160 A CB 0.932 19.975 19.000 0.072 0.000 1.279 160 A HN 0.610 nan 8.150 nan 0.000 0.404 161 Y N 3.242 123.586 120.300 0.074 0.000 2.464 161 Y HA 0.529 5.079 4.550 -0.000 0.000 0.326 161 Y C -2.474 173.477 175.900 0.086 0.000 0.969 161 Y CA -1.915 56.245 58.100 0.101 0.000 1.270 161 Y CB 1.480 40.031 38.460 0.151 0.000 1.103 161 Y HN 0.572 nan 8.280 nan 0.000 0.491 162 P HA -0.092 nan 4.420 nan 0.000 0.271 162 P C -0.817 176.604 177.300 0.200 0.000 1.233 162 P CA -0.045 63.120 63.100 0.108 0.000 0.795 162 P CB 0.621 32.335 31.700 0.023 0.000 0.936 163 V N 2.580 122.573 119.914 0.132 0.000 2.222 163 V HA 0.080 4.200 4.120 -0.000 0.000 0.253 163 V C 0.473 176.629 176.094 0.103 0.000 1.210 163 V CA -0.104 62.270 62.300 0.125 0.000 1.079 163 V CB -1.109 30.758 31.823 0.073 0.000 1.265 163 V HN 0.349 nan 8.190 nan 0.000 0.494 164 L N 3.602 124.916 121.223 0.151 0.000 2.559 164 L HA 0.058 4.398 4.340 -0.000 0.000 0.282 164 L C 0.597 177.521 176.870 0.089 0.000 1.232 164 L CA 0.643 55.572 54.840 0.150 0.000 0.885 164 L CB -0.113 42.103 42.059 0.262 0.000 1.131 164 L HN 0.643 nan 8.230 nan 0.000 0.498 165 N N 2.160 120.884 118.700 0.041 0.000 2.839 165 N HA 0.325 5.065 4.740 -0.000 0.000 0.230 165 N C -1.203 174.259 175.510 -0.080 0.000 1.388 165 N CA -0.464 52.576 53.050 -0.017 0.000 0.747 165 N CB 1.040 39.513 38.487 -0.024 0.000 1.411 165 N HN 0.346 nan 8.380 nan 0.000 0.556 166 V N -0.214 119.634 119.914 -0.110 0.000 2.581 166 V HA 0.808 4.928 4.120 -0.000 0.000 0.303 166 V C -0.121 175.867 176.094 -0.176 0.000 1.041 166 V CA -0.214 61.953 62.300 -0.221 0.000 0.907 166 V CB 1.684 33.240 31.823 -0.446 0.000 0.994 166 V HN 0.316 nan 8.190 nan 0.000 0.442 167 T N 6.304 120.750 114.554 -0.180 0.000 2.829 167 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 167 T C -0.657 173.961 174.700 -0.136 0.000 0.999 167 T CA -0.175 61.840 62.100 -0.142 0.000 0.983 167 T CB 1.347 70.147 68.868 -0.113 0.000 0.968 167 T HN 0.885 nan 8.240 nan 0.000 0.446 168 M N 4.827 124.358 119.600 -0.116 0.000 2.060 168 M HA 0.442 4.922 4.480 -0.000 0.000 0.275 168 M C -2.897 173.385 176.300 -0.029 0.000 0.919 168 M CA -2.378 52.885 55.300 -0.062 0.000 0.970 168 M CB 1.506 34.079 32.600 -0.045 0.000 1.670 168 M HN 0.168 nan 8.290 nan 0.000 0.440 169 P HA 0.297 nan 4.420 nan 0.000 0.274 169 P C -1.089 176.210 177.300 -0.002 0.000 1.231 169 P CA -0.236 62.852 63.100 -0.019 0.000 0.790 169 P CB 0.535 32.216 31.700 -0.031 0.000 0.951 170 N N 1.725 120.404 118.700 -0.034 0.000 2.817 170 N HA 0.147 4.887 4.740 -0.000 0.000 0.234 170 N C -0.113 175.319 175.510 -0.131 0.000 1.066 170 N CA -0.069 52.925 53.050 -0.095 0.000 0.926 170 N CB -0.877 37.549 38.487 -0.102 0.000 1.176 170 N HN 0.228 nan 8.380 nan 0.000 0.506 171 N N 0.864 119.490 118.700 -0.124 0.000 2.336 171 N HA 0.042 4.782 4.740 -0.000 0.000 0.189 171 N C -0.443 174.968 175.510 -0.164 0.000 1.113 171 N CA -0.146 52.837 53.050 -0.112 0.000 0.858 171 N CB 0.500 38.950 38.487 -0.062 0.000 0.970 171 N HN 0.521 nan 8.380 nan 0.000 0.471 172 D N -0.281 119.934 120.400 -0.308 0.000 2.440 172 D HA -0.013 4.627 4.640 -0.000 0.000 0.269 172 D C 0.901 176.945 176.300 -0.427 0.000 1.249 172 D CA 0.180 53.903 54.000 -0.461 0.000 1.055 172 D CB 0.419 40.575 40.800 -1.074 0.000 1.104 172 D HN 0.192 nan 8.370 nan 0.000 0.561 173 N N -1.105 117.370 118.700 -0.375 0.000 2.214 173 N HA 0.158 4.898 4.740 -0.000 0.000 0.214 173 N C -0.229 175.254 175.510 -0.044 0.000 1.132 173 N CA -0.428 52.544 53.050 -0.130 0.000 0.856 173 N CB -0.426 38.077 38.487 0.027 0.000 1.020 173 N HN 0.362 nan 8.380 nan 0.000 0.509 174 F N -2.187 117.735 119.950 -0.047 0.000 2.620 174 F HA 0.721 5.248 4.527 -0.000 0.000 0.320 174 F C -0.662 175.085 175.800 -0.088 0.000 1.069 174 F CA -1.761 56.207 58.000 -0.054 0.000 0.953 174 F CB 0.575 39.547 39.000 -0.046 0.000 1.322 174 F HN -0.234 nan 8.300 nan 0.000 0.479 175 D N 1.341 121.828 120.400 0.145 0.000 2.345 175 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 175 D C -0.675 175.650 176.300 0.042 0.000 1.108 175 D CA -0.107 53.918 54.000 0.043 0.000 0.894 175 D CB 1.328 42.167 40.800 0.065 0.000 1.203 175 D HN 0.498 nan 8.370 nan 0.000 0.430 176 K N 1.100 121.434 120.400 -0.109 0.000 2.182 176 K HA 0.407 4.727 4.320 -0.000 0.000 0.262 176 K C -0.582 175.977 176.600 -0.069 0.000 0.957 176 K CA -0.993 55.114 56.287 -0.301 0.000 0.842 176 K CB 1.841 33.880 32.500 -0.769 0.000 1.099 176 K HN 0.141 nan 8.250 nan 0.000 0.438 177 L N 4.272 125.511 121.223 0.027 0.000 2.272 177 L HA 0.311 4.651 4.340 -0.000 0.000 0.284 177 L C -1.571 175.473 176.870 0.289 0.000 1.045 177 L CA -0.233 54.719 54.840 0.187 0.000 0.842 177 L CB -0.085 42.069 42.059 0.159 0.000 1.224 177 L HN 0.439 nan 8.230 nan 0.000 0.430 178 Y N 5.597 126.155 120.300 0.430 0.000 2.313 178 Y HA 0.491 5.041 4.550 -0.000 0.000 0.332 178 Y C 0.289 176.496 175.900 0.512 0.000 1.071 178 Y CA -0.363 58.047 58.100 0.517 0.000 1.169 178 Y CB 1.465 40.218 38.460 0.489 0.000 1.192 178 Y HN 0.559 nan 8.280 nan 0.000 0.487 179 I N 5.018 125.977 120.570 0.648 0.000 2.439 179 I HA 0.442 4.612 4.170 -0.000 0.000 0.285 179 I C -1.235 175.117 176.117 0.391 0.000 1.021 179 I CA -0.493 61.023 61.300 0.359 0.000 1.091 179 I CB 0.806 38.900 38.000 0.156 0.000 1.242 179 I HN 0.733 nan 8.210 nan 0.000 0.439 180 W N 5.527 126.995 121.300 0.281 0.000 3.459 180 W HA 0.938 5.598 4.660 -0.000 0.000 0.340 180 W C -0.628 176.002 176.519 0.185 0.000 1.275 180 W CA -1.073 56.401 57.345 0.215 0.000 0.985 180 W CB 0.365 29.944 29.460 0.198 0.000 1.745 180 W HN 0.711 nan 8.180 nan 0.000 0.627 181 G N -0.354 108.764 108.800 0.530 0.000 2.600 181 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 181 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 181 G C -1.975 173.151 174.900 0.376 0.000 1.408 181 G CA -0.430 44.886 45.100 0.360 0.000 0.782 181 G HN 1.077 nan 8.290 nan 0.000 0.482 182 V N -0.969 119.071 119.914 0.209 0.000 2.841 182 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 182 V C -1.169 174.829 176.094 -0.161 0.000 1.090 182 V CA -0.852 61.457 62.300 0.014 0.000 0.930 182 V CB 1.778 33.595 31.823 -0.010 0.000 1.014 182 V HN 1.099 nan 8.190 nan 0.000 0.425 183 H N 5.472 124.351 119.070 -0.318 0.000 2.467 183 H HA 0.499 5.055 4.556 -0.000 0.000 0.326 183 H C -1.157 174.025 175.328 -0.244 0.000 1.094 183 H CA -0.667 55.214 56.048 -0.277 0.000 1.253 183 H CB 1.217 30.881 29.762 -0.165 0.000 1.439 183 H HN 0.864 nan 8.280 nan 0.000 0.479 184 H N 6.349 125.189 119.070 -0.382 0.000 2.724 184 H HA 0.212 4.768 4.556 -0.000 0.000 0.278 184 H C -2.284 172.766 175.328 -0.463 0.000 1.159 184 H CA -2.019 53.846 56.048 -0.304 0.000 1.254 184 H CB 0.693 30.414 29.762 -0.067 0.000 1.412 184 H HN 0.509 nan 8.280 nan 0.000 0.488 185 P HA -0.087 nan 4.420 nan 0.000 0.269 185 P C 1.028 178.377 177.300 0.081 0.000 1.211 185 P CA 0.243 63.331 63.100 -0.020 0.000 0.781 185 P CB 0.892 32.687 31.700 0.158 0.000 0.877 186 S N -0.930 114.853 115.700 0.139 0.000 2.478 186 S HA 0.073 4.543 4.470 -0.000 0.000 0.222 186 S C 0.688 175.351 174.600 0.105 0.000 1.008 186 S CA 0.847 59.121 58.200 0.123 0.000 0.928 186 S CB -0.727 62.553 63.200 0.133 0.000 0.781 186 S HN 0.676 nan 8.310 nan 0.000 0.518 187 T N -1.921 112.695 114.554 0.104 0.000 2.792 187 T HA 0.457 4.807 4.350 -0.000 0.000 0.303 187 T C 0.046 174.795 174.700 0.082 0.000 1.310 187 T CA -0.840 61.311 62.100 0.086 0.000 1.007 187 T CB 0.984 69.901 68.868 0.080 0.000 1.335 187 T HN -0.114 nan 8.240 nan 0.000 0.504 188 N N 0.339 119.079 118.700 0.067 0.000 2.120 188 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 188 N C 1.751 177.298 175.510 0.061 0.000 1.024 188 N CA 1.543 54.631 53.050 0.063 0.000 0.852 188 N CB -0.462 38.055 38.487 0.050 0.000 1.003 188 N HN 0.611 nan 8.380 nan 0.000 0.424 189 Q N 1.051 120.883 119.800 0.053 0.000 2.112 189 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 189 Q C 1.925 177.947 176.000 0.038 0.000 0.987 189 Q CA 1.237 57.064 55.803 0.041 0.000 0.858 189 Q CB -0.214 28.547 28.738 0.038 0.000 0.905 189 Q HN 0.484 nan 8.270 nan 0.000 0.420 190 E N -0.313 119.921 120.200 0.057 0.000 2.051 190 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 190 E C 1.958 178.591 176.600 0.055 0.000 0.991 190 E CA 1.042 57.477 56.400 0.059 0.000 0.799 190 E CB 0.069 29.838 29.700 0.116 0.000 0.748 190 E HN 0.235 nan 8.360 nan 0.000 0.449 191 Q N 0.402 120.268 119.800 0.111 0.000 1.956 191 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 191 Q C 2.160 178.227 176.000 0.113 0.000 0.998 191 Q CA 3.362 59.270 55.803 0.175 0.000 0.855 191 Q CB -0.931 27.898 28.738 0.152 0.000 0.928 191 Q HN 0.394 nan 8.270 nan 0.000 0.418 192 T N -1.041 113.555 114.554 0.070 0.000 2.746 192 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 192 T C 1.787 176.490 174.700 0.006 0.000 1.039 192 T CA 1.357 63.485 62.100 0.048 0.000 1.142 192 T CB -0.662 68.230 68.868 0.040 0.000 0.866 192 T HN 0.352 nan 8.240 nan 0.000 0.444 193 N N 0.878 119.567 118.700 -0.019 0.000 2.166 193 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 193 N C 1.681 177.114 175.510 -0.129 0.000 1.019 193 N CA 1.102 54.119 53.050 -0.054 0.000 0.856 193 N CB -0.263 38.195 38.487 -0.048 0.000 0.993 193 N HN 0.310 nan 8.380 nan 0.000 0.426 194 L N -0.744 120.330 121.223 -0.248 0.000 2.202 194 L HA 0.041 4.381 4.340 -0.000 0.000 0.205 194 L C 0.900 177.412 176.870 -0.596 0.000 1.083 194 L CA 1.131 55.648 54.840 -0.538 0.000 0.790 194 L CB -0.224 41.299 42.059 -0.894 0.000 0.942 194 L HN 0.193 nan 8.230 nan 0.000 0.452 195 Y N -3.442 116.888 120.300 0.049 0.000 2.527 195 Y HA 0.339 4.889 4.550 -0.000 0.000 0.247 195 Y C 1.501 177.407 175.900 0.009 0.000 1.138 195 Y CA -0.055 58.033 58.100 -0.021 0.000 1.228 195 Y CB 0.543 38.828 38.460 -0.292 0.000 1.252 195 Y HN -0.209 nan 8.280 nan 0.000 0.531 196 V N -1.763 118.217 119.914 0.110 0.000 0.489 196 V HA -0.468 3.652 4.120 -0.000 0.000 0.092 196 V C 0.590 176.733 176.094 0.081 0.000 2.367 196 V CA 1.888 64.244 62.300 0.093 0.000 3.630 196 V CB -1.226 30.669 31.823 0.119 0.000 0.914 196 V HN 0.345 nan 8.190 nan 0.000 0.957 197 Q N -0.209 119.639 119.800 0.080 0.000 2.364 197 Q HA 0.625 4.965 4.340 -0.000 0.000 0.267 197 Q C 0.995 177.024 176.000 0.049 0.000 0.999 197 Q CA 0.874 56.704 55.803 0.047 0.000 0.886 197 Q CB 0.916 29.660 28.738 0.010 0.000 1.243 197 Q HN 0.686 nan 8.270 nan 0.000 0.415 198 A N 1.779 124.623 122.820 0.039 0.000 2.167 198 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 198 A C 0.618 178.222 177.584 0.034 0.000 1.151 198 A CA 0.802 52.865 52.037 0.042 0.000 0.735 198 A CB 0.344 19.364 19.000 0.034 0.000 0.802 198 A HN 0.424 nan 8.150 nan 0.000 0.467 199 S N -0.955 114.753 115.700 0.013 0.000 2.736 199 S HA 0.558 5.027 4.470 -0.000 0.000 0.285 199 S C 0.118 174.689 174.600 -0.050 0.000 1.163 199 S CA -0.038 58.158 58.200 -0.007 0.000 1.025 199 S CB 0.637 63.835 63.200 -0.003 0.000 1.030 199 S HN 0.658 nan 8.310 nan 0.000 0.486 200 G N 2.361 111.104 108.800 -0.094 0.000 2.557 200 G HA2 0.715 4.675 3.960 -0.000 0.000 0.292 200 G HA3 0.715 4.675 3.960 -0.000 0.000 0.292 200 G C -0.650 174.166 174.900 -0.140 0.000 1.237 200 G CA -0.694 44.291 45.100 -0.191 0.000 0.978 200 G HN 0.849 nan 8.290 nan 0.000 0.498 201 R N -1.436 118.968 120.500 -0.159 0.000 2.633 201 R HA 0.416 4.756 4.340 -0.000 0.000 0.256 201 R C -2.346 173.882 176.300 -0.120 0.000 1.131 201 R CA -0.479 55.554 56.100 -0.111 0.000 0.994 201 R CB 1.713 31.967 30.300 -0.076 0.000 1.261 201 R HN 0.453 nan 8.270 nan 0.000 0.446 202 V N 3.183 123.021 119.914 -0.127 0.000 2.483 202 V HA 0.512 4.632 4.120 -0.000 0.000 0.297 202 V C -0.751 175.207 176.094 -0.227 0.000 1.027 202 V CA -0.500 61.695 62.300 -0.174 0.000 0.855 202 V CB 2.202 33.927 31.823 -0.163 0.000 0.995 202 V HN 0.837 nan 8.190 nan 0.000 0.424 203 T N 4.336 118.738 114.554 -0.254 0.000 2.864 203 T HA 0.518 4.868 4.350 -0.000 0.000 0.299 203 T C -0.535 173.963 174.700 -0.336 0.000 1.011 203 T CA -0.406 61.547 62.100 -0.245 0.000 0.975 203 T CB 1.429 70.212 68.868 -0.141 0.000 0.962 203 T HN 0.287 nan 8.240 nan 0.000 0.448 204 V N 4.007 123.654 119.914 -0.445 0.000 2.384 204 V HA 0.756 4.876 4.120 -0.000 0.000 0.287 204 V C 0.125 176.106 176.094 -0.188 0.000 1.020 204 V CA -0.576 61.451 62.300 -0.454 0.000 0.850 204 V CB 1.290 32.571 31.823 -0.903 0.000 0.987 204 V HN 1.060 nan 8.190 nan 0.000 0.436 205 S N 2.975 118.589 115.700 -0.142 0.000 2.697 205 S HA 0.960 5.430 4.470 -0.000 0.000 0.289 205 S C -0.351 174.216 174.600 -0.055 0.000 1.149 205 S CA -0.327 57.831 58.200 -0.070 0.000 0.850 205 S CB 2.514 65.675 63.200 -0.066 0.000 1.151 205 S HN 0.894 nan 8.310 nan 0.000 0.491 206 T N -1.984 112.555 114.554 -0.026 0.000 2.654 206 T HA 0.536 4.886 4.350 -0.000 0.000 0.289 206 T C 0.273 174.964 174.700 -0.015 0.000 1.062 206 T CA -1.085 61.004 62.100 -0.017 0.000 1.041 206 T CB 1.124 69.999 68.868 0.012 0.000 1.417 206 T HN 0.523 nan 8.240 nan 0.000 0.510 207 R N -0.596 119.898 120.500 -0.011 0.000 2.276 207 R HA 0.108 4.448 4.340 -0.000 0.000 0.203 207 R C 2.455 178.754 176.300 -0.003 0.000 1.017 207 R CA 0.384 56.478 56.100 -0.011 0.000 1.010 207 R CB -0.006 30.287 30.300 -0.012 0.000 0.900 207 R HN 0.422 nan 8.270 nan 0.000 0.469 208 R N 0.269 120.772 120.500 0.006 0.000 2.250 208 R HA 0.115 4.455 4.340 -0.000 0.000 0.194 208 R C 0.477 176.787 176.300 0.017 0.000 0.927 208 R CA 0.871 56.979 56.100 0.013 0.000 1.052 208 R CB 0.518 30.832 30.300 0.023 0.000 1.055 208 R HN 0.381 nan 8.270 nan 0.000 0.537 209 S N -0.605 115.106 115.700 0.018 0.000 2.732 209 S HA 0.570 5.040 4.470 -0.000 0.000 0.293 209 S C -1.362 173.242 174.600 0.007 0.000 1.159 209 S CA -0.684 57.527 58.200 0.019 0.000 0.847 209 S CB 2.078 65.300 63.200 0.037 0.000 1.169 209 S HN 0.284 nan 8.310 nan 0.000 0.501 210 Q N 0.975 120.778 119.800 0.006 0.000 2.520 210 Q HA 0.212 4.552 4.340 -0.000 0.000 0.237 210 Q C -2.361 173.636 176.000 -0.004 0.000 0.875 210 Q CA -0.319 55.478 55.803 -0.010 0.000 1.028 210 Q CB 1.352 30.077 28.738 -0.022 0.000 1.534 210 Q HN 0.955 nan 8.270 nan 0.000 0.471 211 Q N 1.807 121.610 119.800 0.006 0.000 2.309 211 Q HA 0.541 4.881 4.340 -0.000 0.000 0.270 211 Q C -1.199 174.788 176.000 -0.021 0.000 1.023 211 Q CA -0.739 55.075 55.803 0.019 0.000 0.758 211 Q CB 2.343 31.137 28.738 0.093 0.000 1.247 211 Q HN 0.505 nan 8.270 nan 0.000 0.455 212 T N 4.294 118.819 114.554 -0.049 0.000 2.770 212 T HA 0.528 4.878 4.350 -0.000 0.000 0.283 212 T C -0.480 174.169 174.700 -0.084 0.000 0.988 212 T CA -0.532 61.520 62.100 -0.080 0.000 0.957 212 T CB 0.386 69.213 68.868 -0.067 0.000 0.930 212 T HN 0.563 nan 8.240 nan 0.000 0.443 213 I N 5.890 126.393 120.570 -0.112 0.000 2.493 213 I HA 0.500 4.670 4.170 -0.000 0.000 0.298 213 I C 0.141 176.218 176.117 -0.067 0.000 0.998 213 I CA -1.258 59.967 61.300 -0.125 0.000 1.137 213 I CB 1.687 39.524 38.000 -0.272 0.000 1.310 213 I HN 0.680 nan 8.210 nan 0.000 0.445 214 I N 6.434 126.993 120.570 -0.018 0.000 2.404 214 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 214 I C -2.198 173.954 176.117 0.058 0.000 0.992 214 I CA -1.833 59.465 61.300 -0.003 0.000 1.149 214 I CB 2.227 40.227 38.000 0.001 0.000 1.315 214 I HN 0.235 nan 8.210 nan 0.000 0.446 215 P HA 0.134 nan 4.420 nan 0.000 0.272 215 P C -1.243 176.162 177.300 0.175 0.000 1.240 215 P CA -0.314 62.848 63.100 0.103 0.000 0.791 215 P CB 0.472 32.146 31.700 -0.043 0.000 0.978 216 N N 1.419 120.306 118.700 0.312 0.000 2.480 216 N HA 0.290 5.030 4.740 -0.000 0.000 0.289 216 N C -0.971 174.592 175.510 0.088 0.000 1.073 216 N CA -0.360 52.757 53.050 0.111 0.000 0.885 216 N CB 1.032 39.514 38.487 -0.008 0.000 1.421 216 N HN 0.166 nan 8.380 nan 0.000 0.503 217 I N 1.431 122.041 120.570 0.065 0.000 2.474 217 I HA 0.574 4.744 4.170 -0.000 0.000 0.287 217 I C 1.180 177.323 176.117 0.044 0.000 1.048 217 I CA 0.350 61.688 61.300 0.062 0.000 1.383 217 I CB 0.937 38.975 38.000 0.064 0.000 1.412 217 I HN 0.639 nan 8.210 nan 0.000 0.531 218 G N 2.924 111.756 108.800 0.053 0.000 2.325 218 G HA2 0.329 4.289 3.960 -0.000 0.000 0.297 218 G HA3 0.329 4.289 3.960 -0.000 0.000 0.297 218 G C -1.553 173.386 174.900 0.066 0.000 1.448 218 G CA -0.818 44.311 45.100 0.048 0.000 0.838 218 G HN 0.431 nan 8.290 nan 0.000 0.579 219 S N -0.053 115.690 115.700 0.072 0.000 2.499 219 S HA 0.713 5.183 4.470 -0.000 0.000 0.279 219 S C 0.301 174.956 174.600 0.092 0.000 1.219 219 S CA -0.432 57.829 58.200 0.101 0.000 1.062 219 S CB 0.988 64.256 63.200 0.114 0.000 0.978 219 S HN 0.580 nan 8.310 nan 0.000 0.489 220 R N 1.903 122.473 120.500 0.116 0.000 2.854 220 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 220 R C -2.970 173.421 176.300 0.152 0.000 0.994 220 R CA -2.331 53.827 56.100 0.097 0.000 0.945 220 R CB 0.501 30.842 30.300 0.067 0.000 1.194 220 R HN 0.324 nan 8.270 nan 0.000 0.476 221 P HA -0.123 nan 4.420 nan 0.000 0.263 221 P C -0.873 176.572 177.300 0.242 0.000 1.175 221 P CA 0.144 63.334 63.100 0.150 0.000 0.761 221 P CB 0.336 32.081 31.700 0.075 0.000 0.794 222 W N 3.104 124.402 121.300 -0.003 0.000 2.264 222 W HA 0.220 4.880 4.660 0.000 0.000 0.331 222 W C -0.165 176.342 176.519 -0.019 0.000 1.364 222 W CA 0.496 57.838 57.345 -0.005 0.000 1.253 222 W CB 0.037 29.498 29.460 0.002 0.000 1.215 222 W HN 0.020 nan 8.180 nan 0.000 0.561 223 V N 6.078 126.058 119.914 0.110 0.000 2.419 223 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 223 V C 0.176 176.266 176.094 -0.006 0.000 1.017 223 V CA -1.341 60.984 62.300 0.043 0.000 0.844 223 V CB 1.092 32.907 31.823 -0.013 0.000 1.011 223 V HN 0.642 nan 8.190 nan 0.000 0.429 224 R N 3.411 123.939 120.500 0.046 0.000 3.531 224 R HA -0.211 4.129 4.340 -0.000 0.000 0.280 224 R C 1.210 177.503 176.300 -0.011 0.000 1.130 224 R CA 0.700 56.816 56.100 0.027 0.000 0.757 224 R CB -1.651 28.653 30.300 0.008 0.000 1.218 224 R HN 1.558 nan 8.270 nan 0.000 0.454 225 G N -1.126 107.689 108.800 0.025 0.000 2.179 225 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 225 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 225 G C -0.081 174.384 174.900 -0.724 0.000 0.977 225 G CA 0.518 45.478 45.100 -0.233 0.000 0.641 225 G HN 0.296 nan 8.290 nan 0.000 0.533 226 Q N -0.497 119.033 119.800 -0.450 0.000 2.293 226 Q HA 0.475 4.815 4.340 -0.000 0.000 0.261 226 Q C -1.986 173.804 176.000 -0.351 0.000 0.960 226 Q CA -1.890 53.648 55.803 -0.441 0.000 0.882 226 Q CB 2.326 30.847 28.738 -0.362 0.000 1.275 226 Q HN 0.191 nan 8.270 nan 0.000 0.445 227 P HA 0.044 nan 4.420 nan 0.000 0.234 227 P C 0.439 177.781 177.300 0.069 0.000 1.175 227 P CA 0.411 63.497 63.100 -0.023 0.000 0.801 227 P CB 0.527 32.260 31.700 0.054 0.000 0.891 228 G N 0.150 109.029 108.800 0.132 0.000 2.588 228 G HA2 0.452 4.412 3.960 -0.000 0.000 0.278 228 G HA3 0.452 4.412 3.960 -0.000 0.000 0.278 228 G C -0.058 175.021 174.900 0.299 0.000 1.307 228 G CA -0.197 45.071 45.100 0.281 0.000 1.016 228 G HN -0.101 nan 8.290 nan 0.000 0.503 229 R N -1.689 119.083 120.500 0.453 0.000 2.747 229 R HA 0.393 4.733 4.340 -0.000 0.000 0.272 229 R C -1.549 175.094 176.300 0.572 0.000 1.032 229 R CA -0.760 55.636 56.100 0.493 0.000 0.896 229 R CB 1.481 31.966 30.300 0.309 0.000 1.253 229 R HN 0.355 nan 8.270 nan 0.000 0.461 230 I N 0.956 121.820 120.570 0.490 0.000 2.499 230 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 230 I C -0.182 176.094 176.117 0.265 0.000 1.048 230 I CA -0.545 60.938 61.300 0.305 0.000 1.062 230 I CB 1.863 40.032 38.000 0.280 0.000 1.238 230 I HN 0.340 nan 8.210 nan 0.000 0.426 231 S N 6.612 122.447 115.700 0.224 0.000 2.480 231 S HA 0.647 5.117 4.470 -0.000 0.000 0.286 231 S C 0.004 174.613 174.600 0.015 0.000 1.180 231 S CA -0.448 57.868 58.200 0.194 0.000 1.075 231 S CB 1.349 64.837 63.200 0.479 0.000 0.996 231 S HN 0.349 nan 8.310 nan 0.000 0.487 232 I N 3.519 123.912 120.570 -0.295 0.000 2.412 232 I HA 0.462 4.632 4.170 -0.000 0.000 0.296 232 I C -1.094 174.506 176.117 -0.863 0.000 0.987 232 I CA -0.601 60.465 61.300 -0.389 0.000 1.180 232 I CB 1.155 39.008 38.000 -0.246 0.000 1.340 232 I HN 0.579 nan 8.210 nan 0.000 0.455 233 Y N 3.856 123.784 120.300 -0.619 0.000 2.633 233 Y HA 0.592 5.142 4.550 -0.000 0.000 0.339 233 Y C -0.522 174.893 175.900 -0.808 0.000 1.045 233 Y CA -0.838 56.742 58.100 -0.868 0.000 1.098 233 Y CB 1.624 39.198 38.460 -1.476 0.000 1.296 233 Y HN 0.620 nan 8.280 nan 0.000 0.494 234 W N -1.186 119.852 121.300 -0.436 0.000 3.062 234 W HA 0.860 5.520 4.660 -0.000 0.000 0.336 234 W C -2.134 174.468 176.519 0.139 0.000 1.224 234 W CA -1.150 56.095 57.345 -0.166 0.000 1.159 234 W CB 1.329 30.722 29.460 -0.112 0.000 1.454 234 W HN 0.415 nan 8.180 nan 0.000 0.569 235 T N 2.663 117.546 114.554 0.548 0.000 2.993 235 T HA 0.516 4.866 4.350 -0.000 0.000 0.312 235 T C -1.527 173.477 174.700 0.507 0.000 1.115 235 T CA -0.486 61.899 62.100 0.475 0.000 1.027 235 T CB 1.563 70.736 68.868 0.508 0.000 1.116 235 T HN 0.342 nan 8.240 nan 0.000 0.464 236 I N 2.552 123.350 120.570 0.381 0.000 2.354 236 I HA 0.447 4.617 4.170 -0.000 0.000 0.292 236 I C -0.357 175.900 176.117 0.233 0.000 0.989 236 I CA -0.649 60.830 61.300 0.297 0.000 1.188 236 I CB 1.663 39.800 38.000 0.230 0.000 1.342 236 I HN 0.375 nan 8.210 nan 0.000 0.457 237 V N 7.090 127.141 119.914 0.228 0.000 2.347 237 V HA 0.384 4.503 4.120 -0.000 0.000 0.280 237 V C 0.278 176.407 176.094 0.058 0.000 1.021 237 V CA -1.053 61.342 62.300 0.158 0.000 0.847 237 V CB 0.997 32.965 31.823 0.241 0.000 0.990 237 V HN 0.591 nan 8.190 nan 0.000 0.444 238 K N 5.075 125.496 120.400 0.035 0.000 2.168 238 K HA 0.367 4.687 4.320 -0.000 0.000 0.258 238 K C -2.577 173.995 176.600 -0.046 0.000 1.010 238 K CA -1.617 54.669 56.287 -0.002 0.000 0.929 238 K CB 0.497 33.004 32.500 0.012 0.000 0.998 238 K HN 0.343 nan 8.250 nan 0.000 0.479 239 P HA -0.067 nan 4.420 nan 0.000 0.264 239 P C 0.515 177.773 177.300 -0.069 0.000 1.193 239 P CA 1.008 64.042 63.100 -0.109 0.000 0.763 239 P CB 0.564 32.197 31.700 -0.112 0.000 0.810 240 G N 1.726 110.483 108.800 -0.072 0.000 2.234 240 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 240 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 240 G C 0.343 175.220 174.900 -0.039 0.000 0.997 240 G CA -0.047 45.024 45.100 -0.049 0.000 0.623 240 G HN 0.557 nan 8.290 nan 0.000 0.514 241 D N -0.406 119.973 120.400 -0.035 0.000 2.506 241 D HA 0.690 5.330 4.640 -0.000 0.000 0.272 241 D C -0.056 176.229 176.300 -0.025 0.000 1.214 241 D CA 0.364 54.350 54.000 -0.023 0.000 1.067 241 D CB 1.846 42.643 40.800 -0.006 0.000 1.117 241 D HN 0.621 nan 8.370 nan 0.000 0.578 242 V N 1.165 121.065 119.914 -0.024 0.000 3.087 242 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 242 V C -1.516 174.544 176.094 -0.056 0.000 1.187 242 V CA -0.797 61.481 62.300 -0.036 0.000 0.999 242 V CB 2.108 33.903 31.823 -0.047 0.000 1.049 242 V HN 0.410 nan 8.190 nan 0.000 0.431 243 L N 5.850 127.012 121.223 -0.101 0.000 2.307 243 L HA 0.823 5.163 4.340 -0.000 0.000 0.282 243 L C -0.886 175.883 176.870 -0.168 0.000 1.051 243 L CA 0.173 54.905 54.840 -0.180 0.000 0.804 243 L CB 1.683 43.496 42.059 -0.411 0.000 1.197 243 L HN 0.525 nan 8.230 nan 0.000 0.431 244 V N 6.656 126.475 119.914 -0.159 0.000 2.525 244 V HA 0.455 4.575 4.120 -0.000 0.000 0.299 244 V C -0.319 175.677 176.094 -0.164 0.000 1.034 244 V CA -0.417 61.799 62.300 -0.140 0.000 0.863 244 V CB 1.736 33.496 31.823 -0.105 0.000 0.999 244 V HN 0.593 nan 8.190 nan 0.000 0.423 245 I N 5.142 125.629 120.570 -0.138 0.000 2.355 245 I HA 0.457 4.627 4.170 -0.000 0.000 0.288 245 I C -0.280 175.803 176.117 -0.056 0.000 0.999 245 I CA -0.237 60.982 61.300 -0.135 0.000 1.163 245 I CB 1.465 39.455 38.000 -0.017 0.000 1.316 245 I HN 0.551 nan 8.210 nan 0.000 0.454 246 N N 5.351 123.997 118.700 -0.089 0.000 2.448 246 N HA 0.409 5.149 4.740 -0.000 0.000 0.279 246 N C -1.629 173.861 175.510 -0.033 0.000 1.025 246 N CA -0.000 53.028 53.050 -0.037 0.000 0.898 246 N CB 2.040 40.495 38.487 -0.053 0.000 1.303 246 N HN 0.600 nan 8.380 nan 0.000 0.495 247 S N 2.440 118.164 115.700 0.040 0.000 2.537 247 S HA 0.386 4.856 4.470 -0.000 0.000 0.270 247 S C -0.625 174.068 174.600 0.155 0.000 1.142 247 S CA -0.776 57.453 58.200 0.049 0.000 0.870 247 S CB 0.531 63.754 63.200 0.039 0.000 1.112 247 S HN 0.713 nan 8.310 nan 0.000 0.466 248 N N 1.609 120.360 118.700 0.085 0.000 2.351 248 N HA 0.527 5.267 4.740 -0.000 0.000 0.254 248 N C 0.105 175.491 175.510 -0.208 0.000 1.241 248 N CA -0.472 52.668 53.050 0.149 0.000 0.883 248 N CB 1.031 39.564 38.487 0.076 0.000 1.202 248 N HN 0.936 nan 8.380 nan 0.000 0.512 249 G N 0.596 109.082 108.800 -0.523 0.000 2.301 249 G HA2 0.111 4.071 3.960 -0.000 0.000 0.290 249 G HA3 0.111 4.071 3.960 -0.000 0.000 0.290 249 G C -0.585 173.782 174.900 -0.889 0.000 1.669 249 G CA -0.659 43.684 45.100 -1.262 0.000 0.945 249 G HN 0.187 nan 8.290 nan 0.000 0.710 250 N N -2.603 115.256 118.700 -1.401 0.000 2.948 250 N HA -0.178 4.562 4.740 -0.000 0.000 0.239 250 N C 0.213 175.517 175.510 -0.343 0.000 0.954 250 N CA 1.182 53.630 53.050 -1.003 0.000 0.941 250 N CB -1.080 37.014 38.487 -0.656 0.000 1.101 250 N HN 1.212 nan 8.380 nan 0.000 0.579 251 L N 0.669 121.795 121.223 -0.161 0.000 2.371 251 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 251 L C -0.345 176.512 176.870 -0.022 0.000 1.124 251 L CA -0.345 54.468 54.840 -0.044 0.000 0.816 251 L CB 0.522 42.566 42.059 -0.025 0.000 1.129 251 L HN 0.078 nan 8.230 nan 0.000 0.448 252 I N 5.536 126.113 120.570 0.011 0.000 2.371 252 I HA 0.483 4.653 4.170 -0.000 0.000 0.282 252 I C 0.329 176.500 176.117 0.090 0.000 1.031 252 I CA -0.180 61.124 61.300 0.007 0.000 1.180 252 I CB 0.907 38.934 38.000 0.044 0.000 1.336 252 I HN 0.775 nan 8.210 nan 0.000 0.467 253 A N 8.392 131.172 122.820 -0.067 0.000 2.386 253 A HA 0.676 4.996 4.320 -0.000 0.000 0.248 253 A C -2.400 175.317 177.584 0.222 0.000 1.082 253 A CA -0.906 51.081 52.037 -0.082 0.000 0.789 253 A CB -0.344 18.211 19.000 -0.742 0.000 1.025 253 A HN 0.424 nan 8.150 nan 0.000 0.490 254 P HA 0.406 nan 4.420 nan 0.000 0.279 254 P C 0.010 177.642 177.300 0.554 0.000 1.252 254 P CA -0.387 63.036 63.100 0.539 0.000 0.811 254 P CB 0.757 32.852 31.700 0.659 0.000 1.035 255 R N 0.413 121.273 120.500 0.599 0.000 2.437 255 R HA 0.447 4.787 4.340 -0.000 0.000 0.257 255 R C 0.885 177.473 176.300 0.480 0.000 0.927 255 R CA 0.129 56.561 56.100 0.554 0.000 1.078 255 R CB 0.510 31.098 30.300 0.480 0.000 1.161 255 R HN 0.731 nan 8.270 nan 0.000 0.529 256 G N 0.014 109.066 108.800 0.420 0.000 2.566 256 G HA2 0.073 4.033 3.960 -0.000 0.000 0.138 256 G HA3 0.073 4.033 3.960 -0.000 0.000 0.138 256 G C -1.924 172.826 174.900 -0.251 0.000 1.133 256 G CA -0.456 44.564 45.100 -0.132 0.000 1.037 256 G HN 0.117 nan 8.290 nan 0.000 0.491 257 Y N -1.409 118.352 120.300 -0.899 0.000 2.689 257 Y HA 0.861 5.411 4.550 -0.000 0.000 0.333 257 Y C -1.693 173.832 175.900 -0.624 0.000 1.190 257 Y CA -2.681 55.036 58.100 -0.637 0.000 1.063 257 Y CB 0.846 38.803 38.460 -0.839 0.000 1.294 257 Y HN 0.494 nan 8.280 nan 0.000 0.466 258 F N 0.695 120.754 119.950 0.182 0.000 2.469 258 F HA 0.571 5.098 4.527 -0.000 0.000 0.332 258 F C 0.332 176.262 175.800 0.218 0.000 1.103 258 F CA -1.055 57.061 58.000 0.193 0.000 0.979 258 F CB 2.034 41.141 39.000 0.178 0.000 1.137 258 F HN 0.441 nan 8.300 nan 0.000 0.463 259 K N 3.922 124.497 120.400 0.291 0.000 2.350 259 K HA 0.424 4.744 4.320 -0.000 0.000 0.279 259 K C -0.355 176.290 176.600 0.074 0.000 1.027 259 K CA -0.234 56.123 56.287 0.118 0.000 0.969 259 K CB 0.466 32.900 32.500 -0.110 0.000 0.954 259 K HN 0.709 nan 8.250 nan 0.000 0.474 260 M N 5.687 125.319 119.600 0.054 0.000 2.072 260 M HA 0.401 4.881 4.480 -0.000 0.000 0.331 260 M C 0.026 176.318 176.300 -0.015 0.000 1.004 260 M CA -0.388 54.926 55.300 0.023 0.000 0.952 260 M CB 1.351 33.980 32.600 0.048 0.000 1.511 260 M HN 0.579 nan 8.290 nan 0.000 0.422 261 R N 1.112 121.577 120.500 -0.058 0.000 2.873 261 R HA 0.801 5.141 4.340 -0.000 0.000 0.264 261 R C -0.435 175.827 176.300 -0.063 0.000 1.026 261 R CA -0.885 55.174 56.100 -0.068 0.000 1.002 261 R CB 1.138 31.375 30.300 -0.105 0.000 1.174 261 R HN 0.561 nan 8.270 nan 0.000 0.488 262 T N -1.948 112.578 114.554 -0.046 0.000 2.888 262 T HA 0.800 5.150 4.350 -0.000 0.000 0.284 262 T C 0.278 174.955 174.700 -0.039 0.000 1.017 262 T CA -0.192 61.886 62.100 -0.036 0.000 1.022 262 T CB 2.023 70.882 68.868 -0.015 0.000 1.013 262 T HN 0.854 nan 8.240 nan 0.000 0.465 263 G N 0.894 109.675 108.800 -0.031 0.000 2.539 263 G HA2 0.407 4.367 3.960 -0.000 0.000 0.138 263 G HA3 0.407 4.367 3.960 -0.000 0.000 0.138 263 G C -0.326 174.577 174.900 0.005 0.000 1.148 263 G CA -0.180 44.907 45.100 -0.021 0.000 1.057 263 G HN 1.091 nan 8.290 nan 0.000 0.511 264 K N -0.051 120.365 120.400 0.027 0.000 2.514 264 K HA 0.628 4.948 4.320 -0.000 0.000 0.207 264 K C 0.504 177.206 176.600 0.170 0.000 1.035 264 K CA 0.549 56.886 56.287 0.083 0.000 1.113 264 K CB 0.226 32.770 32.500 0.072 0.000 0.846 264 K HN 0.595 nan 8.250 nan 0.000 0.491 265 S N 0.977 116.718 115.700 0.070 0.000 2.584 265 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 265 S C -0.023 174.683 174.600 0.177 0.000 1.346 265 S CA -0.046 58.193 58.200 0.065 0.000 1.018 265 S CB 1.095 64.186 63.200 -0.182 0.000 0.899 265 S HN 0.651 nan 8.310 nan 0.000 0.542 266 S N 0.074 115.910 115.700 0.226 0.000 2.655 266 S HA 0.652 5.122 4.470 -0.000 0.000 0.266 266 S C -1.777 172.880 174.600 0.096 0.000 1.149 266 S CA -0.749 57.545 58.200 0.158 0.000 0.818 266 S CB 0.595 63.885 63.200 0.150 0.000 1.130 266 S HN 0.651 nan 8.310 nan 0.000 0.476 267 I N 1.893 122.466 120.570 0.005 0.000 2.934 267 I HA 0.789 4.959 4.170 -0.000 0.000 0.306 267 I C -1.155 174.933 176.117 -0.048 0.000 1.110 267 I CA -0.975 60.293 61.300 -0.054 0.000 1.019 267 I CB 1.915 39.834 38.000 -0.135 0.000 1.227 267 I HN 0.889 nan 8.210 nan 0.000 0.434 268 M N 5.382 124.957 119.600 -0.041 0.000 2.465 268 M HA 0.507 4.987 4.480 -0.000 0.000 0.284 268 M C -1.839 174.450 176.300 -0.019 0.000 1.212 268 M CA -0.602 54.681 55.300 -0.029 0.000 0.910 268 M CB 2.285 34.864 32.600 -0.034 0.000 1.725 268 M HN 0.484 nan 8.290 nan 0.000 0.477 269 R N 2.574 123.065 120.500 -0.015 0.000 2.229 269 R HA 0.637 4.977 4.340 -0.000 0.000 0.332 269 R C -1.160 175.133 176.300 -0.011 0.000 0.989 269 R CA -0.460 55.633 56.100 -0.012 0.000 0.842 269 R CB 1.670 31.963 30.300 -0.012 0.000 1.119 269 R HN 0.677 nan 8.270 nan 0.000 0.456 270 S N 1.149 116.841 115.700 -0.012 0.000 2.542 270 S HA 0.151 4.621 4.470 -0.000 0.000 0.276 270 S C -0.922 173.674 174.600 -0.008 0.000 1.148 270 S CA -0.793 57.402 58.200 -0.008 0.000 0.886 270 S CB 1.397 64.594 63.200 -0.006 0.000 1.109 270 S HN 0.573 nan 8.310 nan 0.000 0.458 271 D N 2.078 122.477 120.400 -0.001 0.000 2.363 271 D HA 0.278 4.918 4.640 -0.000 0.000 0.214 271 D C 0.702 177.003 176.300 0.003 0.000 1.093 271 D CA 0.151 54.152 54.000 0.002 0.000 0.837 271 D CB 0.702 41.506 40.800 0.007 0.000 0.948 271 D HN 0.647 nan 8.370 nan 0.000 0.507 272 A N 2.139 124.961 122.820 0.003 0.000 2.477 272 A HA 0.353 4.673 4.320 -0.000 0.000 0.246 272 A C -2.214 175.372 177.584 0.003 0.000 1.078 272 A CA -0.775 51.266 52.037 0.007 0.000 0.770 272 A CB 0.031 19.039 19.000 0.012 0.000 1.011 272 A HN -0.093 nan 8.150 nan 0.000 0.494 273 P HA 0.173 nan 4.420 nan 0.000 0.271 273 P C -0.196 177.107 177.300 0.004 0.000 1.218 273 P CA -0.078 63.025 63.100 0.004 0.000 0.780 273 P CB 0.535 32.239 31.700 0.007 0.000 0.901 274 I N 1.413 121.982 120.570 -0.001 0.000 2.310 274 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 274 I C -0.282 175.838 176.117 0.004 0.000 1.073 274 I CA -0.521 60.780 61.300 0.001 0.000 1.216 274 I CB 0.069 38.065 38.000 -0.008 0.000 1.415 274 I HN 0.185 nan 8.210 nan 0.000 0.480 275 D N 4.724 125.129 120.400 0.009 0.000 2.411 275 D HA 0.262 4.902 4.640 -0.000 0.000 0.251 275 D C -0.454 175.852 176.300 0.009 0.000 1.201 275 D CA -0.014 53.991 54.000 0.008 0.000 0.996 275 D CB 1.363 42.170 40.800 0.011 0.000 1.101 275 D HN 0.492 nan 8.370 nan 0.000 0.504 276 T N 1.056 115.614 114.554 0.006 0.000 2.832 276 T HA 0.518 4.868 4.350 -0.000 0.000 0.313 276 T C -0.419 174.284 174.700 0.005 0.000 1.035 276 T CA -0.547 61.556 62.100 0.005 0.000 0.950 276 T CB -0.810 68.059 68.868 0.002 0.000 0.984 276 T HN 0.570 nan 8.240 nan 0.000 0.486 277 c N 1.799 120.402 118.600 0.005 0.000 3.254 277 c HA 0.750 5.320 4.570 -0.000 0.000 0.374 277 c C -1.562 172.527 174.090 -0.001 0.000 1.710 277 c CA -1.281 55.050 56.329 0.004 0.000 1.149 277 c CB 0.346 42.861 42.510 0.009 0.000 2.019 277 c HN 0.702 nan 8.230 nan 0.000 0.427 278 I N 1.857 122.426 120.570 -0.003 0.000 2.468 278 I HA 0.565 4.734 4.170 -0.000 0.000 0.284 278 I C -0.459 175.655 176.117 -0.006 0.000 1.038 278 I CA 0.181 61.473 61.300 -0.014 0.000 1.083 278 I CB 1.608 39.595 38.000 -0.021 0.000 1.223 278 I HN 0.775 nan 8.210 nan 0.000 0.443 279 S N 3.897 119.595 115.700 -0.002 0.000 2.750 279 S HA 0.265 4.735 4.470 -0.000 0.000 0.276 279 S C 0.501 175.125 174.600 0.041 0.000 1.165 279 S CA -0.461 57.753 58.200 0.023 0.000 1.047 279 S CB 1.497 64.725 63.200 0.046 0.000 1.056 279 S HN 0.663 nan 8.310 nan 0.000 0.481 280 E N 2.193 122.414 120.200 0.034 0.000 2.070 280 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 280 E C 0.691 177.417 176.600 0.209 0.000 1.004 280 E CA 1.219 57.669 56.400 0.084 0.000 0.805 280 E CB 0.103 29.833 29.700 0.050 0.000 0.744 280 E HN 0.619 nan 8.360 nan 0.000 0.451 281 c N 0.725 119.405 118.600 0.134 0.000 2.307 281 c HA 0.569 5.138 4.570 -0.000 0.000 0.340 281 c C -0.139 174.041 174.090 0.150 0.000 1.275 281 c CA -0.890 55.515 56.329 0.127 0.000 1.811 281 c CB -1.093 41.464 42.510 0.079 0.000 2.372 281 c HN 0.247 nan 8.230 nan 0.000 0.531 282 I N 6.110 126.790 120.570 0.184 0.000 2.474 282 I HA 0.517 4.687 4.170 -0.000 0.000 0.294 282 I C 0.403 176.601 176.117 0.136 0.000 1.005 282 I CA 0.065 61.470 61.300 0.176 0.000 1.113 282 I CB 2.329 40.472 38.000 0.238 0.000 1.289 282 I HN 0.811 nan 8.210 nan 0.000 0.436 283 T N 1.585 116.197 114.554 0.096 0.000 2.883 283 T HA 0.452 4.802 4.350 -0.000 0.000 0.296 283 T C -2.530 172.199 174.700 0.049 0.000 1.117 283 T CA -1.993 60.149 62.100 0.071 0.000 1.006 283 T CB 2.204 71.111 68.868 0.065 0.000 1.191 283 T HN 0.170 nan 8.240 nan 0.000 0.508 284 P HA 0.049 nan 4.420 nan 0.000 0.225 284 P C 0.634 177.946 177.300 0.020 0.000 1.148 284 P CA 0.735 63.845 63.100 0.017 0.000 0.779 284 P CB -0.104 31.598 31.700 0.004 0.000 0.780 285 N N -1.219 117.498 118.700 0.028 0.000 2.412 285 N HA 0.235 4.975 4.740 -0.000 0.000 0.184 285 N C 0.967 176.497 175.510 0.034 0.000 1.101 285 N CA 0.846 53.914 53.050 0.030 0.000 0.881 285 N CB 0.207 38.717 38.487 0.038 0.000 0.969 285 N HN 0.099 nan 8.380 nan 0.000 0.459 286 G N -1.283 107.541 108.800 0.039 0.000 2.331 286 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.402 286 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.402 286 G C -1.001 173.933 174.900 0.057 0.000 1.275 286 G CA -0.814 44.311 45.100 0.042 0.000 1.003 286 G HN 0.036 nan 8.290 nan 0.000 0.500 287 S N -0.600 115.135 115.700 0.058 0.000 2.632 287 S HA 0.794 5.264 4.470 -0.000 0.000 0.267 287 S C 0.417 175.053 174.600 0.060 0.000 1.276 287 S CA 0.416 58.658 58.200 0.070 0.000 0.998 287 S CB 0.735 63.976 63.200 0.068 0.000 0.953 287 S HN 1.417 nan 8.310 nan 0.000 0.547 288 I N -1.866 118.742 120.570 0.064 0.000 2.841 288 I HA 0.575 4.745 4.170 -0.000 0.000 0.298 288 I C -3.276 172.869 176.117 0.047 0.000 1.304 288 I CA -2.994 58.339 61.300 0.054 0.000 1.019 288 I CB 2.047 40.084 38.000 0.062 0.000 1.282 288 I HN 0.299 nan 8.210 nan 0.000 0.432 289 P HA 0.222 nan 4.420 nan 0.000 0.271 289 P C -0.694 176.620 177.300 0.022 0.000 1.216 289 P CA -0.272 62.843 63.100 0.025 0.000 0.776 289 P CB 0.286 31.997 31.700 0.018 0.000 0.881 290 N N 0.420 119.128 118.700 0.014 0.000 2.328 290 N HA 0.029 4.769 4.740 -0.000 0.000 0.247 290 N C -0.063 175.437 175.510 -0.016 0.000 1.165 290 N CA -0.276 52.777 53.050 0.004 0.000 0.873 290 N CB -0.173 38.319 38.487 0.009 0.000 1.125 290 N HN 0.271 nan 8.380 nan 0.000 0.513 291 D N 0.043 120.433 120.400 -0.017 0.000 2.323 291 D HA -0.013 4.627 4.640 -0.000 0.000 0.209 291 D C 0.159 176.429 176.300 -0.050 0.000 0.973 291 D CA 0.576 54.558 54.000 -0.029 0.000 0.874 291 D CB 0.283 41.072 40.800 -0.019 0.000 0.930 291 D HN 0.111 nan 8.370 nan 0.000 0.521 292 K N 0.066 120.435 120.400 -0.051 0.000 2.098 292 K HA 0.291 4.611 4.320 -0.000 0.000 0.258 292 K C -1.876 174.627 176.600 -0.162 0.000 0.973 292 K CA -2.070 54.166 56.287 -0.085 0.000 0.898 292 K CB 1.647 34.125 32.500 -0.038 0.000 1.057 292 K HN -0.182 nan 8.250 nan 0.000 0.447 293 P HA -0.032 nan 4.420 nan 0.000 0.222 293 P C -0.681 176.205 177.300 -0.690 0.000 1.153 293 P CA 1.004 63.711 63.100 -0.655 0.000 0.798 293 P CB 0.329 31.367 31.700 -1.102 0.000 0.796 294 F N -1.009 118.936 119.950 -0.009 0.000 2.611 294 F HA 0.560 5.087 4.527 -0.000 0.000 0.324 294 F C 0.000 175.790 175.800 -0.017 0.000 1.061 294 F CA -1.187 56.801 58.000 -0.020 0.000 0.954 294 F CB 1.695 40.667 39.000 -0.045 0.000 1.301 294 F HN -0.326 nan 8.300 nan 0.000 0.482 295 Q N -0.126 119.785 119.800 0.185 0.000 2.416 295 Q HA 0.342 4.682 4.340 -0.000 0.000 0.281 295 Q C -1.635 174.386 176.000 0.035 0.000 1.067 295 Q CA -0.831 55.040 55.803 0.112 0.000 0.809 295 Q CB 1.951 30.772 28.738 0.138 0.000 1.418 295 Q HN 0.678 nan 8.270 nan 0.000 0.411 296 N N 0.934 119.659 118.700 0.042 0.000 2.238 296 N HA 0.135 4.875 4.740 -0.000 0.000 0.235 296 N C -0.072 175.572 175.510 0.223 0.000 1.209 296 N CA 0.143 53.191 53.050 -0.004 0.000 0.879 296 N CB 0.717 39.169 38.487 -0.059 0.000 1.136 296 N HN 0.452 nan 8.380 nan 0.000 0.517 297 V N 0.591 120.647 119.914 0.238 0.000 2.239 297 V HA 0.035 4.155 4.120 -0.000 0.000 0.242 297 V C 0.829 177.039 176.094 0.194 0.000 1.038 297 V CA 1.177 63.587 62.300 0.185 0.000 1.002 297 V CB -0.274 31.625 31.823 0.126 0.000 0.641 297 V HN 0.403 nan 8.190 nan 0.000 0.449 298 N N -0.883 117.921 118.700 0.174 0.000 2.504 298 N HA 0.153 4.893 4.740 -0.000 0.000 0.268 298 N C 0.296 175.631 175.510 -0.291 0.000 1.184 298 N CA -0.342 52.666 53.050 -0.071 0.000 0.875 298 N CB 2.007 40.474 38.487 -0.033 0.000 1.630 298 N HN 0.269 nan 8.380 nan 0.000 0.486 299 K N 0.978 120.966 120.400 -0.687 0.000 2.366 299 K HA 0.210 4.530 4.320 -0.000 0.000 0.198 299 K C 0.516 176.996 176.600 -0.199 0.000 1.044 299 K CA 0.575 56.497 56.287 -0.608 0.000 0.973 299 K CB 0.177 32.271 32.500 -0.677 0.000 0.767 299 K HN 0.404 nan 8.250 nan 0.000 0.475 300 I N 3.265 123.749 120.570 -0.143 0.000 2.416 300 I HA 0.044 4.214 4.170 -0.000 0.000 0.288 300 I C -0.063 176.057 176.117 0.004 0.000 1.051 300 I CA -0.088 61.183 61.300 -0.048 0.000 1.375 300 I CB 1.105 39.082 38.000 -0.038 0.000 1.407 300 I HN 0.259 nan 8.210 nan 0.000 0.516 301 T N 2.662 117.241 114.554 0.042 0.000 2.853 301 T HA 0.475 4.825 4.350 -0.000 0.000 0.311 301 T C -1.285 173.486 174.700 0.119 0.000 1.307 301 T CA -0.861 61.285 62.100 0.077 0.000 1.019 301 T CB 1.720 70.626 68.868 0.063 0.000 1.264 301 T HN 0.411 nan 8.240 nan 0.000 0.497 302 Y N 0.714 121.010 120.300 -0.006 0.000 2.361 302 Y HA 0.624 5.174 4.550 -0.000 0.000 0.328 302 Y C 0.223 176.084 175.900 -0.066 0.000 1.044 302 Y CA 0.902 58.975 58.100 -0.045 0.000 1.085 302 Y CB 1.181 39.604 38.460 -0.062 0.000 1.194 302 Y HN 1.597 nan 8.280 nan 0.000 0.438 303 G N 2.714 111.064 108.800 -0.750 0.000 2.384 303 G HA2 0.277 4.237 3.960 -0.000 0.000 0.204 303 G HA3 0.277 4.237 3.960 -0.000 0.000 0.204 303 G C -1.218 173.575 174.900 -0.179 0.000 1.237 303 G CA -0.528 44.283 45.100 -0.482 0.000 1.060 303 G HN 1.370 nan 8.290 nan 0.000 0.514 304 A N -0.608 122.184 122.820 -0.047 0.000 2.376 304 A HA 0.592 4.912 4.320 -0.000 0.000 0.298 304 A C 0.415 177.999 177.584 0.001 0.000 1.271 304 A CA 0.771 52.795 52.037 -0.021 0.000 0.926 304 A CB -0.824 18.178 19.000 0.003 0.000 1.141 304 A HN 1.727 nan 8.150 nan 0.000 0.539 305 c N 3.050 121.650 118.600 -0.000 0.000 2.802 305 c HA 0.665 5.235 4.570 -0.000 0.000 0.307 305 c C -2.338 171.774 174.090 0.036 0.000 1.222 305 c CA -0.926 55.419 56.329 0.028 0.000 1.580 305 c CB 1.649 44.185 42.510 0.043 0.000 2.119 305 c HN 0.741 nan 8.230 nan 0.000 0.479 306 P HA 0.212 nan 4.420 nan 0.000 0.272 306 P C -0.718 176.660 177.300 0.130 0.000 1.230 306 P CA -0.213 62.919 63.100 0.053 0.000 0.788 306 P CB 0.470 32.198 31.700 0.046 0.000 0.949 307 K N 1.341 121.858 120.400 0.195 0.000 2.258 307 K HA 0.114 4.434 4.320 -0.000 0.000 0.264 307 K C -0.165 176.588 176.600 0.255 0.000 1.007 307 K CA -0.104 56.324 56.287 0.234 0.000 0.941 307 K CB -0.080 32.584 32.500 0.273 0.000 0.966 307 K HN 0.467 nan 8.250 nan 0.000 0.480 308 Y N 1.400 121.757 120.300 0.095 0.000 2.309 308 Y HA 0.307 4.857 4.550 -0.000 0.000 0.327 308 Y C -0.158 175.756 175.900 0.023 0.000 1.172 308 Y CA -0.473 57.666 58.100 0.064 0.000 1.280 308 Y CB 0.784 39.268 38.460 0.040 0.000 1.234 308 Y HN 0.323 nan 8.280 nan 0.000 0.512 309 V N 3.085 122.546 119.914 -0.756 0.000 3.049 309 V HA 0.455 4.575 4.120 -0.000 0.000 0.309 309 V C 0.197 175.849 176.094 -0.736 0.000 1.148 309 V CA -1.298 60.656 62.300 -0.577 0.000 0.990 309 V CB 2.158 33.714 31.823 -0.446 0.000 1.039 309 V HN 0.840 nan 8.190 nan 0.000 0.430 310 K N 0.318 120.476 120.400 -0.403 0.000 2.057 310 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 310 K C 0.643 177.125 176.600 -0.197 0.000 1.050 310 K CA 1.151 57.291 56.287 -0.245 0.000 0.935 310 K CB -0.090 32.347 32.500 -0.104 0.000 0.715 310 K HN 0.893 nan 8.250 nan 0.000 0.439 311 Q N 1.927 121.612 119.800 -0.192 0.000 2.286 311 Q HA -0.056 4.284 4.340 -0.000 0.000 0.290 311 Q C 0.170 176.101 176.000 -0.115 0.000 1.049 311 Q CA 0.569 56.293 55.803 -0.132 0.000 0.923 311 Q CB -0.035 28.622 28.738 -0.135 0.000 1.183 311 Q HN 0.338 nan 8.270 nan 0.000 0.383 312 N N 0.675 119.336 118.700 -0.065 0.000 2.336 312 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 312 N C -0.489 175.011 175.510 -0.016 0.000 1.113 312 N CA 0.164 53.191 53.050 -0.037 0.000 0.858 312 N CB 0.980 39.456 38.487 -0.017 0.000 0.970 312 N HN 0.550 nan 8.380 nan 0.000 0.471 313 T N -0.370 114.173 114.554 -0.018 0.000 3.579 313 T HA 0.388 4.738 4.350 -0.000 0.000 0.360 313 T C -2.292 172.411 174.700 0.005 0.000 1.285 313 T CA -0.755 61.346 62.100 0.002 0.000 1.127 313 T CB 0.322 69.192 68.868 0.003 0.000 1.244 313 T HN 0.097 nan 8.240 nan 0.000 0.476 314 L N 4.932 126.175 121.223 0.032 0.000 2.441 314 L HA 0.563 4.903 4.340 -0.000 0.000 0.270 314 L C -0.448 176.453 176.870 0.053 0.000 0.973 314 L CA -1.023 53.843 54.840 0.043 0.000 0.842 314 L CB 1.942 44.046 42.059 0.075 0.000 1.239 314 L HN 0.422 nan 8.230 nan 0.000 0.406 315 K N 3.730 124.151 120.400 0.034 0.000 2.227 315 K HA 0.439 4.759 4.320 -0.000 0.000 0.280 315 K C -0.726 175.893 176.600 0.031 0.000 1.041 315 K CA -0.700 55.604 56.287 0.028 0.000 0.905 315 K CB 2.296 34.806 32.500 0.017 0.000 1.068 315 K HN 0.296 nan 8.250 nan 0.000 0.470 316 L N 2.572 123.813 121.223 0.029 0.000 2.272 316 L HA 0.344 4.684 4.340 -0.000 0.000 0.289 316 L C -0.216 176.665 176.870 0.017 0.000 1.032 316 L CA -0.224 54.632 54.840 0.026 0.000 0.810 316 L CB 1.109 43.181 42.059 0.023 0.000 1.205 316 L HN 0.743 nan 8.230 nan 0.000 0.422 317 A N 3.093 125.922 122.820 0.016 0.000 2.498 317 A HA 0.432 4.752 4.320 -0.000 0.000 0.239 317 A C 0.824 178.416 177.584 0.013 0.000 1.068 317 A CA 0.570 52.615 52.037 0.013 0.000 0.766 317 A CB -0.153 18.854 19.000 0.011 0.000 1.003 317 A HN 0.921 nan 8.150 nan 0.000 0.497 318 T N -0.656 113.908 114.554 0.016 0.000 3.275 318 T HA 0.557 4.907 4.350 -0.000 0.000 0.298 318 T C 0.338 175.057 174.700 0.030 0.000 0.988 318 T CA 0.316 62.427 62.100 0.019 0.000 0.936 318 T CB -0.149 68.729 68.868 0.016 0.000 1.159 318 T HN 1.634 nan 8.240 nan 0.000 0.519 319 G N 1.634 110.455 108.800 0.034 0.000 2.649 319 G HA2 0.588 4.548 3.960 -0.000 0.000 0.290 319 G HA3 0.588 4.548 3.960 -0.000 0.000 0.290 319 G C -0.444 174.485 174.900 0.049 0.000 1.426 319 G CA -1.143 43.994 45.100 0.061 0.000 0.794 319 G HN 0.497 nan 8.290 nan 0.000 0.483 320 M N -0.264 119.379 119.600 0.072 0.000 1.868 320 M HA 0.510 4.990 4.480 -0.000 0.000 0.227 320 M C 0.712 177.020 176.300 0.013 0.000 1.334 320 M CA -0.279 55.034 55.300 0.023 0.000 0.974 320 M CB 0.515 33.114 32.600 -0.001 0.000 1.303 320 M HN 0.508 nan 8.290 nan 0.000 0.446 321 R N 1.295 121.781 120.500 -0.024 0.000 2.543 321 R HA 0.088 4.428 4.340 -0.000 0.000 0.277 321 R C -0.996 175.314 176.300 0.017 0.000 1.074 321 R CA -0.145 55.949 56.100 -0.011 0.000 1.076 321 R CB 0.351 30.636 30.300 -0.025 0.000 0.993 321 R HN 0.816 nan 8.270 nan 0.000 0.459 322 N N 2.940 121.655 118.700 0.026 0.000 2.420 322 N HA 0.164 4.904 4.740 -0.000 0.000 0.249 322 N C -1.625 173.919 175.510 0.057 0.000 1.033 322 N CA -0.358 52.716 53.050 0.041 0.000 0.944 322 N CB 1.262 39.752 38.487 0.006 0.000 1.113 322 N HN 0.278 nan 8.380 nan 0.000 0.502 323 V N 6.372 126.353 119.914 0.112 0.000 2.313 323 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 323 V C -1.342 174.794 176.094 0.070 0.000 1.017 323 V CA -1.275 61.085 62.300 0.100 0.000 0.823 323 V CB 0.958 32.876 31.823 0.157 0.000 1.010 323 V HN 0.694 nan 8.190 nan 0.000 0.443 324 P HA 0.100 nan 4.420 nan 0.000 0.213 324 P C 0.317 177.620 177.300 0.006 0.000 1.090 324 P CA 1.730 64.838 63.100 0.013 0.000 0.875 324 P CB 0.272 31.978 31.700 0.009 0.000 0.553 325 E N -3.310 116.892 120.200 0.003 0.000 2.391 325 E HA 0.496 4.846 4.350 -0.000 0.000 0.238 325 E C -0.145 176.455 176.600 -0.001 0.000 1.153 325 E CA 0.400 56.799 56.400 -0.002 0.000 0.530 325 E CB -1.175 28.519 29.700 -0.010 0.000 1.038 325 E HN 0.543 nan 8.360 nan 0.000 0.416 326 K N 0.000 120.401 120.400 0.002 0.000 2.780 326 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 326 K CA 0.000 56.288 56.287 0.002 0.000 0.838 326 K CB 0.000 32.500 32.500 0.000 0.000 1.064 326 K HN 0.000 nan 8.250 nan 0.000 0.543