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 2y0f_1_D DATA FIRST_RESID 4 DATA SEQUENCE MRRPTPTVYV GRVPIGGAHP IAVQSMTNTP TRDVEATTAQ VLELHRAGSE DATA SEQUENCE IVRLTVNDEE AAKAVPEIKR RLLAEGVEVP LVGDFHFNGH LLLRKYPKMA DATA SEQUENCE EALDKFRINP XXXXXXXXXX EHFAEMIRIA MDLGKPVRIG ANWGSLDPAL DATA SEQUENCE LTELMDRNAS RPEPKSAHEV VLEALVESAV RAYEAALEMG LGEDKLVLSA DATA SEQUENCE KVSKARDLVW VYRELARRTQ APLHLGLTEA GMGVKGIVAS AAALAPLLLE DATA SEQUENCE GIGDTIRVSL TPSPKEPRTK EVEVAQEILQ ALGLRAFAPE VTSCPGCGRT DATA SEQUENCE TSTFFQELAE EVSRRLKERL PEWRARYPGV EELKVAVMGC VVNGPGESKH DATA SEQUENCE AHIGISLPGA GEEPKAPVYA DGKLLTILKG EGIAEEFLRL VEDYVKTRFA DATA SEQUENCE PKA 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.290 176.300 -0.016 0.000 1.140 4 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 4 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 5 R N 1.434 121.924 120.500 -0.017 0.000 2.808 5 R HA 0.613 4.953 4.340 0.001 0.000 0.272 5 R C -1.259 175.029 176.300 -0.020 0.000 0.995 5 R CA -0.612 55.476 56.100 -0.019 0.000 0.917 5 R CB 2.371 32.657 30.300 -0.024 0.000 1.217 5 R HN 0.345 nan 8.270 nan 0.000 0.471 6 R N 2.195 122.684 120.500 -0.019 0.000 2.297 6 R HA 0.354 4.695 4.340 0.001 0.000 0.308 6 R C -2.120 174.167 176.300 -0.022 0.000 1.029 6 R CA -1.467 54.622 56.100 -0.018 0.000 0.929 6 R CB 0.793 31.085 30.300 -0.014 0.000 1.046 6 R HN 0.246 nan 8.270 nan 0.000 0.461 7 P HA 0.150 nan 4.420 nan 0.000 0.281 7 P C -1.181 176.110 177.300 -0.015 0.000 1.252 7 P CA -0.267 62.819 63.100 -0.023 0.000 0.778 7 P CB 1.598 33.287 31.700 -0.018 0.000 0.895 8 T N 0.220 114.763 114.554 -0.017 0.000 2.903 8 T HA 0.637 4.988 4.350 0.001 0.000 0.299 8 T C -2.708 171.993 174.700 0.002 0.000 1.093 8 T CA -2.327 59.773 62.100 0.001 0.000 1.002 8 T CB 0.961 69.834 68.868 0.008 0.000 1.127 8 T HN 0.116 nan 8.240 nan 0.000 0.488 9 P HA 0.182 nan 4.420 nan 0.000 0.271 9 P C -0.395 176.920 177.300 0.025 0.000 1.233 9 P CA -0.116 63.003 63.100 0.031 0.000 0.795 9 P CB 0.024 31.753 31.700 0.049 0.000 0.936 10 T N 0.506 115.076 114.554 0.027 0.000 2.758 10 T HA 0.350 4.700 4.350 0.001 0.000 0.285 10 T C -0.262 174.385 174.700 -0.089 0.000 0.981 10 T CA -0.397 61.696 62.100 -0.012 0.000 0.965 10 T CB 0.534 69.425 68.868 0.037 0.000 0.927 10 T HN 0.062 nan 8.240 nan 0.000 0.448 11 V N 4.975 124.817 119.914 -0.119 0.000 2.328 11 V HA 0.317 4.437 4.120 0.001 0.000 0.278 11 V C -0.735 175.247 176.094 -0.187 0.000 1.021 11 V CA -1.030 61.215 62.300 -0.091 0.000 0.838 11 V CB 0.175 31.991 31.823 -0.012 0.000 0.999 11 V HN 0.776 nan 8.190 nan 0.000 0.447 12 Y N 3.694 123.983 120.300 -0.017 0.000 2.436 12 Y HA 0.352 4.903 4.550 0.001 0.000 0.336 12 Y C 0.551 176.424 175.900 -0.045 0.000 1.049 12 Y CA -0.141 57.934 58.100 -0.043 0.000 1.294 12 Y CB 1.450 39.882 38.460 -0.046 0.000 1.179 12 Y HN 0.522 nan 8.280 nan 0.000 0.520 13 V N 3.812 123.774 119.914 0.080 0.000 2.275 13 V HA 0.787 4.907 4.120 0.001 0.000 0.272 13 V C 0.567 176.683 176.094 0.037 0.000 1.028 13 V CA 0.096 62.416 62.300 0.032 0.000 0.810 13 V CB 0.091 31.913 31.823 -0.003 0.000 1.043 13 V HN 1.068 nan 8.190 nan 0.000 0.453 14 G N 6.222 115.038 108.800 0.027 0.000 2.634 14 G HA2 -0.447 3.514 3.960 0.001 0.000 0.318 14 G HA3 -0.447 3.514 3.960 0.001 0.000 0.318 14 G C 0.959 175.882 174.900 0.038 0.000 1.207 14 G CA 1.151 46.258 45.100 0.011 0.000 0.987 14 G HN 1.059 nan 8.290 nan 0.000 0.547 15 R N 0.083 120.600 120.500 0.028 0.000 2.090 15 R HA 0.200 4.540 4.340 0.001 0.000 0.228 15 R C 1.160 177.528 176.300 0.113 0.000 1.110 15 R CA 1.226 57.353 56.100 0.045 0.000 0.973 15 R CB -0.329 29.983 30.300 0.019 0.000 0.869 15 R HN 0.404 nan 8.270 nan 0.000 0.440 16 V N 4.666 124.629 119.914 0.081 0.000 2.439 16 V HA 0.185 4.306 4.120 0.001 0.000 0.271 16 V C -2.068 174.013 176.094 -0.022 0.000 1.040 16 V CA -1.607 60.718 62.300 0.042 0.000 1.002 16 V CB 0.831 32.668 31.823 0.024 0.000 1.000 16 V HN 0.252 nan 8.190 nan 0.000 0.477 17 P HA 0.395 nan 4.420 nan 0.000 0.275 17 P C -0.692 176.388 177.300 -0.367 0.000 1.227 17 P CA -0.091 62.615 63.100 -0.657 0.000 0.781 17 P CB 1.350 32.357 31.700 -1.155 0.000 0.906 18 I N 1.954 122.381 120.570 -0.240 0.000 2.534 18 I HA 0.636 4.806 4.170 0.001 0.000 0.286 18 I C 0.279 176.440 176.117 0.073 0.000 1.094 18 I CA -0.123 61.167 61.300 -0.016 0.000 1.055 18 I CB 1.909 39.896 38.000 -0.021 0.000 1.225 18 I HN 0.633 nan 8.210 nan 0.000 0.435 19 G N 3.063 111.942 108.800 0.132 0.000 2.356 19 G HA2 0.259 4.220 3.960 0.001 0.000 0.300 19 G HA3 0.259 4.220 3.960 0.001 0.000 0.300 19 G C 0.473 175.363 174.900 -0.016 0.000 1.331 19 G CA -0.236 44.900 45.100 0.059 0.000 0.905 19 G HN 0.745 nan 8.290 nan 0.000 0.587 20 G N 0.298 109.067 108.800 -0.052 0.000 2.679 20 G HA2 0.035 3.996 3.960 0.001 0.000 0.222 20 G HA3 0.035 3.996 3.960 0.001 0.000 0.222 20 G C 2.052 176.848 174.900 -0.174 0.000 1.164 20 G CA 3.010 48.058 45.100 -0.086 0.000 0.769 20 G HN 1.981 nan 8.290 nan 0.000 0.610 21 A N -0.549 122.056 122.820 -0.359 0.000 2.216 21 A HA 0.155 4.475 4.320 0.001 0.000 0.214 21 A C 0.859 178.080 177.584 -0.605 0.000 1.160 21 A CA 0.712 52.432 52.037 -0.529 0.000 0.725 21 A CB -0.243 18.363 19.000 -0.657 0.000 0.784 21 A HN 0.526 nan 8.150 nan 0.000 0.472 22 H N -1.127 117.937 119.070 -0.010 0.000 2.797 22 H HA 0.419 4.975 4.556 0.001 0.000 0.372 22 H C -2.731 172.600 175.328 0.005 0.000 1.168 22 H CA -2.451 53.595 56.048 -0.004 0.000 1.163 22 H CB 0.512 30.255 29.762 -0.031 0.000 1.778 22 H HN 0.030 nan 8.280 nan 0.000 0.551 23 P HA 0.095 nan 4.420 nan 0.000 0.269 23 P C 0.341 177.683 177.300 0.071 0.000 1.215 23 P CA -0.000 63.152 63.100 0.086 0.000 0.780 23 P CB 0.922 32.671 31.700 0.081 0.000 0.898 24 I N 1.115 121.710 120.570 0.040 0.000 2.533 24 I HA 0.162 4.333 4.170 0.001 0.000 0.284 24 I C 1.037 177.168 176.117 0.023 0.000 1.109 24 I CA -0.151 61.166 61.300 0.028 0.000 1.412 24 I CB 0.500 38.504 38.000 0.008 0.000 1.396 24 I HN 0.368 nan 8.210 nan 0.000 0.543 25 A N 6.601 129.440 122.820 0.032 0.000 2.282 25 A HA 0.632 4.952 4.320 0.001 0.000 0.319 25 A C -0.513 177.091 177.584 0.033 0.000 1.121 25 A CA -0.523 51.533 52.037 0.032 0.000 0.836 25 A CB 1.574 20.599 19.000 0.041 0.000 1.146 25 A HN 0.568 nan 8.150 nan 0.000 0.494 26 V N 1.674 121.606 119.914 0.030 0.000 2.409 26 V HA 0.492 4.613 4.120 0.001 0.000 0.291 26 V C -0.250 175.879 176.094 0.059 0.000 1.020 26 V CA -0.498 61.822 62.300 0.033 0.000 0.848 26 V CB 1.078 32.903 31.823 0.003 0.000 0.990 26 V HN 1.012 nan 8.190 nan 0.000 0.430 27 Q N 4.267 124.124 119.800 0.094 0.000 2.314 27 Q HA 0.567 4.908 4.340 0.001 0.000 0.258 27 Q C 0.212 176.261 176.000 0.082 0.000 0.954 27 Q CA 0.065 55.933 55.803 0.108 0.000 0.890 27 Q CB 1.258 30.113 28.738 0.196 0.000 1.210 27 Q HN 1.120 nan 8.270 nan 0.000 0.410 28 S N 3.399 119.137 115.700 0.064 0.000 2.798 28 S HA 0.772 5.242 4.470 0.001 0.000 0.312 28 S C -0.600 174.027 174.600 0.044 0.000 1.122 28 S CA -0.969 57.262 58.200 0.051 0.000 0.949 28 S CB 1.508 64.735 63.200 0.045 0.000 1.235 28 S HN 0.733 nan 8.310 nan 0.000 0.552 29 M N 2.101 121.723 119.600 0.036 0.000 2.322 29 M HA 0.348 4.829 4.480 0.001 0.000 0.286 29 M C -0.938 175.375 176.300 0.021 0.000 1.111 29 M CA -0.369 54.947 55.300 0.026 0.000 0.941 29 M CB 2.335 34.952 32.600 0.030 0.000 1.671 29 M HN 1.098 nan 8.290 nan 0.000 0.470 30 T N 0.253 114.815 114.554 0.014 0.000 2.904 30 T HA 0.360 4.710 4.350 0.001 0.000 0.290 30 T C 0.372 175.079 174.700 0.013 0.000 1.018 30 T CA -0.534 61.573 62.100 0.012 0.000 1.075 30 T CB 0.410 69.282 68.868 0.007 0.000 0.986 30 T HN 0.851 nan 8.240 nan 0.000 0.523 31 N N -0.329 118.379 118.700 0.014 0.000 2.291 31 N HA 0.105 4.846 4.740 0.001 0.000 0.244 31 N C -0.119 175.397 175.510 0.010 0.000 1.216 31 N CA -0.776 52.283 53.050 0.014 0.000 0.879 31 N CB 0.542 39.040 38.487 0.017 0.000 1.167 31 N HN 0.730 nan 8.380 nan 0.000 0.515 32 T N -0.679 113.879 114.554 0.007 0.000 2.913 32 T HA 0.321 4.671 4.350 0.001 0.000 0.287 32 T C -2.583 172.116 174.700 -0.001 0.000 1.008 32 T CA -1.559 60.543 62.100 0.003 0.000 1.067 32 T CB 1.135 70.004 68.868 0.001 0.000 0.996 32 T HN -0.032 nan 8.240 nan 0.000 0.513 33 P HA 0.105 nan 4.420 nan 0.000 0.259 33 P C 0.994 178.285 177.300 -0.015 0.000 1.211 33 P CA -0.004 63.089 63.100 -0.011 0.000 0.810 33 P CB 0.023 31.715 31.700 -0.013 0.000 0.815 34 T N 3.355 117.898 114.554 -0.019 0.000 2.760 34 T HA -0.230 4.120 4.350 0.001 0.000 0.269 34 T C 1.649 176.332 174.700 -0.029 0.000 1.047 34 T CA 1.505 63.591 62.100 -0.023 0.000 1.139 34 T CB -0.315 68.536 68.868 -0.028 0.000 0.855 34 T HN 0.514 nan 8.240 nan 0.000 0.471 35 R N 1.488 121.967 120.500 -0.034 0.000 2.127 35 R HA -0.022 4.318 4.340 0.001 0.000 0.238 35 R C 0.919 177.202 176.300 -0.027 0.000 1.134 35 R CA 1.041 57.118 56.100 -0.038 0.000 0.975 35 R CB -0.467 29.811 30.300 -0.038 0.000 0.865 35 R HN 0.255 nan 8.270 nan 0.000 0.447 36 D N 1.311 121.699 120.400 -0.020 0.000 2.374 36 D HA 0.005 4.645 4.640 0.001 0.000 0.240 36 D C 0.915 177.208 176.300 -0.012 0.000 1.229 36 D CA -0.089 53.903 54.000 -0.014 0.000 0.895 36 D CB 1.441 42.235 40.800 -0.010 0.000 1.046 36 D HN -0.142 nan 8.370 nan 0.000 0.498 37 V N 4.111 124.018 119.914 -0.012 0.000 2.343 37 V HA -0.208 3.913 4.120 0.001 0.000 0.247 37 V C 2.022 178.113 176.094 -0.005 0.000 1.051 37 V CA 2.374 64.668 62.300 -0.009 0.000 1.036 37 V CB -0.127 31.690 31.823 -0.009 0.000 0.654 37 V HN 0.598 nan 8.190 nan 0.000 0.451 38 E N 0.189 120.387 120.200 -0.003 0.000 2.051 38 E HA -0.141 4.209 4.350 0.001 0.000 0.192 38 E C 2.114 178.714 176.600 0.001 0.000 0.991 38 E CA 1.875 58.275 56.400 -0.001 0.000 0.799 38 E CB -0.536 29.164 29.700 -0.000 0.000 0.748 38 E HN 0.667 nan 8.360 nan 0.000 0.449 39 A N -0.186 122.634 122.820 -0.000 0.000 1.873 39 A HA -0.171 4.150 4.320 0.001 0.000 0.215 39 A C 2.538 180.124 177.584 0.003 0.000 1.186 39 A CA 2.321 54.359 52.037 0.002 0.000 0.616 39 A CB -1.393 17.607 19.000 0.001 0.000 0.823 39 A HN 0.462 nan 8.150 nan 0.000 0.442 40 T N -1.626 112.928 114.554 -0.000 0.000 2.777 40 T HA -0.135 4.215 4.350 0.001 0.000 0.266 40 T C 1.904 176.606 174.700 0.002 0.000 1.040 40 T CA 2.502 64.602 62.100 0.000 0.000 1.141 40 T CB -0.794 68.071 68.868 -0.005 0.000 0.868 40 T HN 0.392 nan 8.240 nan 0.000 0.444 41 T N 1.980 116.534 114.554 0.001 0.000 2.635 41 T HA -0.030 4.320 4.350 0.001 0.000 0.267 41 T C 2.344 177.049 174.700 0.009 0.000 1.040 41 T CA 1.687 63.788 62.100 0.002 0.000 1.156 41 T CB -1.016 67.853 68.868 0.001 0.000 0.863 41 T HN 0.592 nan 8.240 nan 0.000 0.430 42 A N 0.843 123.669 122.820 0.010 0.000 1.933 42 A HA -0.175 4.145 4.320 0.001 0.000 0.218 42 A C 2.270 179.866 177.584 0.020 0.000 1.175 42 A CA 1.788 53.834 52.037 0.015 0.000 0.628 42 A CB -0.683 18.324 19.000 0.012 0.000 0.814 42 A HN 0.550 nan 8.150 nan 0.000 0.444 43 Q N -0.612 119.199 119.800 0.017 0.000 2.079 43 Q HA -0.109 4.232 4.340 0.001 0.000 0.200 43 Q C 2.142 178.159 176.000 0.029 0.000 0.974 43 Q CA 1.713 57.528 55.803 0.021 0.000 0.840 43 Q CB -0.254 28.494 28.738 0.016 0.000 0.898 43 Q HN 0.602 nan 8.270 nan 0.000 0.430 44 V N 0.229 120.158 119.914 0.024 0.000 2.469 44 V HA -0.234 3.886 4.120 0.001 0.000 0.251 44 V C 1.887 178.016 176.094 0.059 0.000 1.064 44 V CA 1.477 63.795 62.300 0.030 0.000 1.066 44 V CB -0.374 31.453 31.823 0.007 0.000 0.667 44 V HN 0.358 nan 8.190 nan 0.000 0.461 45 L N 0.788 122.043 121.223 0.053 0.000 2.056 45 L HA -0.141 4.199 4.340 0.001 0.000 0.207 45 L C 2.886 179.808 176.870 0.087 0.000 1.078 45 L CA 2.290 57.179 54.840 0.081 0.000 0.749 45 L CB -0.746 41.344 42.059 0.053 0.000 0.901 45 L HN 0.609 nan 8.230 nan 0.000 0.433 46 E N 0.518 120.751 120.200 0.055 0.000 2.107 46 E HA -0.194 4.156 4.350 0.001 0.000 0.191 46 E C 2.246 178.871 176.600 0.042 0.000 0.982 46 E CA 0.920 57.344 56.400 0.040 0.000 0.809 46 E CB -0.362 29.355 29.700 0.027 0.000 0.756 46 E HN 0.461 nan 8.360 nan 0.000 0.459 47 L N 0.503 121.759 121.223 0.056 0.000 2.093 47 L HA -0.158 4.182 4.340 0.001 0.000 0.208 47 L C 2.822 179.741 176.870 0.082 0.000 1.085 47 L CA 1.569 56.443 54.840 0.057 0.000 0.755 47 L CB -0.580 41.513 42.059 0.056 0.000 0.904 47 L HN 0.280 nan 8.230 nan 0.000 0.435 48 H N 0.607 119.678 119.070 0.002 0.000 2.326 48 H HA -0.099 4.458 4.556 0.001 0.000 0.301 48 H C 2.335 177.661 175.328 -0.004 0.000 1.081 48 H CA 1.675 57.722 56.048 -0.000 0.000 1.334 48 H CB 0.119 29.882 29.762 0.002 0.000 1.385 48 H HN 0.063 nan 8.280 nan 0.000 0.504 49 R N -0.307 120.144 120.500 -0.083 0.000 2.189 49 R HA 0.102 4.442 4.340 0.001 0.000 0.218 49 R C 2.093 178.336 176.300 -0.095 0.000 1.074 49 R CA 0.682 56.702 56.100 -0.134 0.000 0.991 49 R CB 0.055 30.332 30.300 -0.039 0.000 0.883 49 R HN 0.331 nan 8.270 nan 0.000 0.457 50 A N 0.749 123.538 122.820 -0.053 0.000 2.235 50 A HA 0.199 4.519 4.320 0.001 0.000 0.208 50 A C 0.852 178.394 177.584 -0.069 0.000 1.172 50 A CA 0.755 52.770 52.037 -0.036 0.000 0.786 50 A CB -0.064 18.933 19.000 -0.006 0.000 0.804 50 A HN 0.378 nan 8.150 nan 0.000 0.479 51 G N -1.086 107.644 108.800 -0.117 0.000 2.980 51 G HA2 0.173 4.133 3.960 0.001 0.000 0.255 51 G HA3 0.173 4.133 3.960 0.001 0.000 0.255 51 G C -0.313 174.541 174.900 -0.077 0.000 1.020 51 G CA 0.246 45.263 45.100 -0.139 0.000 1.230 51 G HN 1.430 nan 8.290 nan 0.000 0.580 52 S N 0.014 115.693 115.700 -0.035 0.000 2.592 52 S HA 0.635 5.106 4.470 0.001 0.000 0.275 52 S C 0.556 175.257 174.600 0.168 0.000 1.169 52 S CA -0.053 58.177 58.200 0.050 0.000 0.958 52 S CB 1.442 64.677 63.200 0.059 0.000 1.095 52 S HN 0.358 nan 8.310 nan 0.000 0.471 53 E N 3.135 123.412 120.200 0.129 0.000 2.452 53 E HA 0.442 4.792 4.350 0.001 0.000 0.197 53 E C -0.323 176.332 176.600 0.091 0.000 1.022 53 E CA 0.531 57.024 56.400 0.155 0.000 0.890 53 E CB 0.393 30.149 29.700 0.093 0.000 0.918 53 E HN 0.651 nan 8.360 nan 0.000 0.496 54 I N 0.522 121.137 120.570 0.074 0.000 2.534 54 I HA 0.277 4.447 4.170 0.001 0.000 0.288 54 I C -1.249 174.892 176.117 0.040 0.000 1.077 54 I CA -1.004 60.320 61.300 0.040 0.000 1.051 54 I CB 2.513 40.536 38.000 0.037 0.000 1.234 54 I HN -0.314 nan 8.210 nan 0.000 0.425 55 V N 6.031 125.956 119.914 0.019 0.000 2.487 55 V HA 0.451 4.572 4.120 0.001 0.000 0.298 55 V C -0.019 176.078 176.094 0.004 0.000 1.028 55 V CA -0.700 61.610 62.300 0.018 0.000 0.860 55 V CB 2.043 33.876 31.823 0.015 0.000 0.991 55 V HN 0.650 nan 8.190 nan 0.000 0.427 56 R N 5.383 125.885 120.500 0.004 0.000 2.196 56 R HA 0.546 4.887 4.340 0.001 0.000 0.340 56 R C -1.125 175.160 176.300 -0.024 0.000 1.043 56 R CA -0.423 55.667 56.100 -0.016 0.000 0.883 56 R CB 0.490 30.781 30.300 -0.016 0.000 1.078 56 R HN 0.670 nan 8.270 nan 0.000 0.462 57 L N 3.240 124.439 121.223 -0.041 0.000 2.343 57 L HA 0.383 4.723 4.340 0.001 0.000 0.275 57 L C 0.229 177.048 176.870 -0.085 0.000 1.056 57 L CA -0.819 53.994 54.840 -0.045 0.000 0.804 57 L CB 1.862 43.900 42.059 -0.034 0.000 1.203 57 L HN 0.578 nan 8.230 nan 0.000 0.440 58 T N 2.065 116.585 114.554 -0.058 0.000 2.744 58 T HA 0.451 4.802 4.350 0.001 0.000 0.291 58 T C -0.119 174.549 174.700 -0.052 0.000 0.957 58 T CA -0.373 61.693 62.100 -0.056 0.000 1.002 58 T CB 1.254 70.126 68.868 0.006 0.000 0.919 58 T HN 0.261 nan 8.240 nan 0.000 0.468 59 V N 4.779 124.645 119.914 -0.081 0.000 2.487 59 V HA 0.496 4.616 4.120 0.001 0.000 0.298 59 V C 0.233 176.387 176.094 0.099 0.000 1.028 59 V CA -0.867 61.435 62.300 0.005 0.000 0.860 59 V CB 1.530 33.400 31.823 0.078 0.000 0.991 59 V HN 0.985 nan 8.190 nan 0.000 0.427 60 N N 2.047 120.773 118.700 0.043 0.000 2.128 60 N HA 0.019 4.760 4.740 0.001 0.000 0.276 60 N C -0.055 175.413 175.510 -0.069 0.000 1.008 60 N CA 0.142 53.199 53.050 0.011 0.000 0.762 60 N CB 0.147 38.564 38.487 -0.117 0.000 1.811 60 N HN 0.644 nan 8.380 nan 0.000 0.722 61 D N 0.817 121.166 120.400 -0.086 0.000 2.277 61 D HA 0.235 4.875 4.640 0.001 0.000 0.250 61 D C 0.521 176.754 176.300 -0.112 0.000 1.032 61 D CA -0.412 53.533 54.000 -0.091 0.000 0.947 61 D CB 1.553 42.302 40.800 -0.086 0.000 1.159 61 D HN 0.174 nan 8.370 nan 0.000 0.460 62 E N -0.128 120.009 120.200 -0.106 0.000 2.204 62 E HA -0.198 4.153 4.350 0.001 0.000 0.194 62 E C 1.272 177.713 176.600 -0.264 0.000 0.989 62 E CA 0.839 57.129 56.400 -0.185 0.000 0.824 62 E CB 0.071 29.791 29.700 0.032 0.000 0.756 62 E HN 0.627 nan 8.360 nan 0.000 0.477 63 E N 1.551 121.666 120.200 -0.142 0.000 2.118 63 E HA -0.197 4.154 4.350 0.001 0.000 0.195 63 E C 1.848 178.366 176.600 -0.137 0.000 0.992 63 E CA 1.563 57.893 56.400 -0.117 0.000 0.804 63 E CB -0.123 29.534 29.700 -0.071 0.000 0.741 63 E HN 0.234 nan 8.360 nan 0.000 0.458 64 A N 0.442 123.180 122.820 -0.135 0.000 1.930 64 A HA 0.219 4.539 4.320 0.001 0.000 0.215 64 A C 2.405 179.899 177.584 -0.151 0.000 1.176 64 A CA 1.318 53.288 52.037 -0.111 0.000 0.632 64 A CB -0.784 18.171 19.000 -0.074 0.000 0.819 64 A HN 0.384 nan 8.150 nan 0.000 0.445 65 A N 1.368 124.036 122.820 -0.254 0.000 1.883 65 A HA -0.221 4.099 4.320 0.001 0.000 0.217 65 A C 2.068 179.427 177.584 -0.375 0.000 1.186 65 A CA 2.049 53.874 52.037 -0.352 0.000 0.624 65 A CB -0.552 18.045 19.000 -0.672 0.000 0.822 65 A HN 0.686 nan 8.150 nan 0.000 0.444 66 K N -0.626 119.504 120.400 -0.449 0.000 2.486 66 K HA 0.324 4.644 4.320 0.001 0.000 0.194 66 K C 1.578 178.114 176.600 -0.106 0.000 1.033 66 K CA 0.964 57.108 56.287 -0.239 0.000 1.004 66 K CB -0.166 32.226 32.500 -0.181 0.000 0.798 66 K HN 0.274 nan 8.250 nan 0.000 0.495 67 A N 1.254 124.013 122.820 -0.103 0.000 1.984 67 A HA 0.081 4.401 4.320 0.001 0.000 0.214 67 A C 2.169 179.734 177.584 -0.033 0.000 1.173 67 A CA 0.360 52.365 52.037 -0.054 0.000 0.673 67 A CB -0.310 18.660 19.000 -0.050 0.000 0.830 67 A HN 0.097 nan 8.150 nan 0.000 0.453 68 V N 1.035 120.929 119.914 -0.033 0.000 2.220 68 V HA -0.229 3.892 4.120 0.001 0.000 0.250 68 V C -0.081 176.020 176.094 0.011 0.000 1.056 68 V CA 2.887 65.186 62.300 -0.001 0.000 1.016 68 V CB -1.632 30.205 31.823 0.023 0.000 0.639 68 V HN 0.360 nan 8.190 nan 0.000 0.446 69 P HA -0.160 nan 4.420 nan 0.000 0.216 69 P C 1.715 179.024 177.300 0.014 0.000 1.150 69 P CA 1.318 64.434 63.100 0.026 0.000 0.843 69 P CB -0.021 31.701 31.700 0.036 0.000 0.787 70 E N -0.617 119.586 120.200 0.006 0.000 2.106 70 E HA -0.101 4.249 4.350 0.001 0.000 0.192 70 E C 1.989 178.589 176.600 -0.001 0.000 0.984 70 E CA 0.790 57.191 56.400 0.002 0.000 0.806 70 E CB -0.553 29.145 29.700 -0.002 0.000 0.750 70 E HN 0.252 nan 8.360 nan 0.000 0.458 71 I N 0.891 121.459 120.570 -0.003 0.000 2.142 71 I HA -0.293 3.877 4.170 0.001 0.000 0.240 71 I C 2.512 178.627 176.117 -0.004 0.000 1.078 71 I CA 1.156 62.454 61.300 -0.004 0.000 1.343 71 I CB -0.283 37.713 38.000 -0.005 0.000 1.046 71 I HN -0.009 nan 8.210 nan 0.000 0.405 72 K N 1.440 121.840 120.400 -0.000 0.000 2.063 72 K HA -0.221 4.099 4.320 0.001 0.000 0.208 72 K C 2.168 178.766 176.600 -0.004 0.000 1.048 72 K CA 1.630 57.916 56.287 -0.003 0.000 0.928 72 K CB -0.379 32.124 32.500 0.005 0.000 0.713 72 K HN 0.082 nan 8.250 nan 0.000 0.442 73 R N -0.259 120.242 120.500 0.001 0.000 2.081 73 R HA -0.019 4.322 4.340 0.001 0.000 0.235 73 R C 2.182 178.482 176.300 -0.001 0.000 1.131 73 R CA 1.279 57.380 56.100 0.001 0.000 0.960 73 R CB -0.031 30.271 30.300 0.004 0.000 0.856 73 R HN 0.059 nan 8.270 nan 0.000 0.436 74 R N 0.282 120.781 120.500 -0.002 0.000 2.115 74 R HA -0.043 4.298 4.340 0.001 0.000 0.226 74 R C 2.257 178.555 176.300 -0.003 0.000 1.100 74 R CA 0.932 57.031 56.100 -0.001 0.000 0.980 74 R CB -0.344 29.955 30.300 -0.001 0.000 0.875 74 R HN 0.324 nan 8.270 nan 0.000 0.445 75 L N 0.311 121.529 121.223 -0.008 0.000 2.056 75 L HA -0.158 4.183 4.340 0.001 0.000 0.207 75 L C 2.470 179.331 176.870 -0.016 0.000 1.078 75 L CA 0.940 55.770 54.840 -0.015 0.000 0.749 75 L CB -0.492 41.550 42.059 -0.030 0.000 0.901 75 L HN 0.105 nan 8.230 nan 0.000 0.433 76 L N -0.018 121.197 121.223 -0.014 0.000 2.042 76 L HA -0.223 4.117 4.340 0.001 0.000 0.210 76 L C 2.742 179.609 176.870 -0.005 0.000 1.076 76 L CA 1.527 56.360 54.840 -0.011 0.000 0.749 76 L CB -0.503 41.551 42.059 -0.009 0.000 0.893 76 L HN 0.237 nan 8.230 nan 0.000 0.432 77 A N -1.505 121.314 122.820 -0.002 0.000 2.121 77 A HA -0.149 4.172 4.320 0.001 0.000 0.218 77 A C 2.081 179.667 177.584 0.003 0.000 1.154 77 A CA 1.164 53.202 52.037 0.001 0.000 0.679 77 A CB -0.290 18.711 19.000 0.002 0.000 0.795 77 A HN 0.379 nan 8.150 nan 0.000 0.458 78 E N -1.424 118.779 120.200 0.004 0.000 2.489 78 E HA 0.149 4.499 4.350 0.001 0.000 0.193 78 E C 1.395 178.002 176.600 0.012 0.000 1.057 78 E CA 0.581 56.987 56.400 0.009 0.000 0.866 78 E CB 0.032 29.738 29.700 0.011 0.000 0.916 78 E HN 0.719 nan 8.360 nan 0.000 0.500 79 G N 1.081 109.885 108.800 0.006 0.000 2.234 79 G HA2 -0.293 3.668 3.960 0.001 0.000 0.260 79 G HA3 -0.293 3.668 3.960 0.001 0.000 0.260 79 G C 0.533 175.437 174.900 0.007 0.000 0.987 79 G CA 0.457 45.562 45.100 0.008 0.000 0.625 79 G HN 0.206 nan 8.290 nan 0.000 0.532 80 V N 1.197 121.112 119.914 0.002 0.000 2.427 80 V HA 0.361 4.482 4.120 0.001 0.000 0.268 80 V C 0.783 176.831 176.094 -0.078 0.000 1.046 80 V CA 0.410 62.698 62.300 -0.019 0.000 0.970 80 V CB 1.309 33.135 31.823 0.004 0.000 1.001 80 V HN 0.421 nan 8.190 nan 0.000 0.476 81 E N 3.411 123.555 120.200 -0.093 0.000 2.598 81 E HA 0.167 4.518 4.350 0.001 0.000 0.233 81 E C -0.193 176.319 176.600 -0.146 0.000 1.173 81 E CA -0.202 56.145 56.400 -0.089 0.000 1.473 81 E CB 1.424 31.099 29.700 -0.042 0.000 1.398 81 E HN 0.528 nan 8.360 nan 0.000 0.431 82 V N 2.804 122.557 119.914 -0.268 0.000 2.521 82 V HA 0.155 4.275 4.120 0.001 0.000 0.286 82 V C -2.168 173.844 176.094 -0.135 0.000 1.034 82 V CA -1.971 60.148 62.300 -0.301 0.000 1.045 82 V CB 0.637 32.133 31.823 -0.546 0.000 0.974 82 V HN 0.194 nan 8.190 nan 0.000 0.480 83 P HA 0.178 nan 4.420 nan 0.000 0.268 83 P C -0.853 176.429 177.300 -0.031 0.000 1.205 83 P CA 0.113 63.189 63.100 -0.040 0.000 0.771 83 P CB 0.635 32.323 31.700 -0.020 0.000 0.858 84 L N 2.636 123.849 121.223 -0.017 0.000 2.325 84 L HA 0.529 4.870 4.340 0.001 0.000 0.278 84 L C 0.025 176.900 176.870 0.008 0.000 1.023 84 L CA -1.138 53.699 54.840 -0.005 0.000 0.811 84 L CB 1.915 43.976 42.059 0.004 0.000 1.249 84 L HN 0.092 nan 8.230 nan 0.000 0.431 85 V N 1.088 121.004 119.914 0.003 0.000 2.487 85 V HA 0.584 4.704 4.120 0.001 0.000 0.298 85 V C 0.353 176.429 176.094 -0.030 0.000 1.028 85 V CA -0.593 61.712 62.300 0.008 0.000 0.860 85 V CB 1.721 33.536 31.823 -0.013 0.000 0.991 85 V HN 0.863 nan 8.190 nan 0.000 0.427 86 G N 3.160 111.946 108.800 -0.024 0.000 2.332 86 G HA2 0.598 4.558 3.960 0.001 0.000 0.310 86 G HA3 0.598 4.558 3.960 0.001 0.000 0.310 86 G C -0.775 173.720 174.900 -0.675 0.000 1.123 86 G CA -0.402 44.474 45.100 -0.374 0.000 0.873 86 G HN 0.758 nan 8.290 nan 0.000 0.460 87 D N 0.805 120.813 120.400 -0.654 0.000 2.198 87 D HA 0.576 5.216 4.640 0.001 0.000 0.247 87 D C -1.078 174.804 176.300 -0.697 0.000 1.010 87 D CA -0.472 53.191 54.000 -0.561 0.000 0.880 87 D CB 1.834 42.514 40.800 -0.200 0.000 1.209 87 D HN 0.154 nan 8.370 nan 0.000 0.451 88 F N -0.343 119.635 119.950 0.046 0.000 2.551 88 F HA 0.253 4.780 4.527 0.001 0.000 0.316 88 F C 1.552 177.403 175.800 0.084 0.000 1.089 88 F CA -0.959 57.078 58.000 0.061 0.000 0.915 88 F CB 1.872 40.874 39.000 0.005 0.000 1.186 88 F HN 0.389 nan 8.300 nan 0.000 0.456 89 H N 1.241 120.436 119.070 0.209 0.000 2.470 89 H HA -0.062 4.495 4.556 0.001 0.000 0.289 89 H C 0.894 176.397 175.328 0.291 0.000 1.033 89 H CA 2.374 58.532 56.048 0.183 0.000 1.331 89 H CB 0.664 30.504 29.762 0.130 0.000 1.414 89 H HN 0.731 nan 8.280 nan 0.000 0.545 90 F N -1.385 118.681 119.950 0.194 0.000 2.205 90 F HA -0.063 4.465 4.527 0.001 0.000 0.470 90 F C 0.307 176.139 175.800 0.053 0.000 0.876 90 F CA -0.095 57.982 58.000 0.129 0.000 0.677 90 F CB -0.916 38.150 39.000 0.109 0.000 1.439 90 F HN -0.160 nan 8.300 nan 0.000 0.456 91 N N 1.822 120.240 118.700 -0.470 0.000 2.571 91 N HA 0.050 4.791 4.740 0.001 0.000 0.189 91 N C 1.767 177.026 175.510 -0.419 0.000 1.154 91 N CA 0.578 53.267 53.050 -0.603 0.000 0.907 91 N CB -0.154 38.075 38.487 -0.429 0.000 0.977 91 N HN 0.632 nan 8.380 nan 0.000 0.449 92 G N 2.024 110.695 108.800 -0.215 0.000 2.812 92 G HA2 -0.376 3.584 3.960 0.001 0.000 0.218 92 G HA3 -0.376 3.584 3.960 0.001 0.000 0.218 92 G C 1.012 175.584 174.900 -0.547 0.000 1.287 92 G CA 1.872 46.749 45.100 -0.372 0.000 0.796 92 G HN 0.635 nan 8.290 nan 0.000 0.649 93 H N -0.308 118.565 119.070 -0.327 0.000 2.353 93 H HA 0.014 4.570 4.556 0.001 0.000 0.298 93 H C 2.486 177.689 175.328 -0.209 0.000 1.103 93 H CA 1.276 57.161 56.048 -0.272 0.000 1.293 93 H CB -0.617 29.061 29.762 -0.141 0.000 1.372 93 H HN 0.313 nan 8.280 nan 0.000 0.501 94 L N 0.424 121.282 121.223 -0.608 0.000 1.990 94 L HA -0.186 4.155 4.340 0.001 0.000 0.213 94 L C 2.519 179.263 176.870 -0.210 0.000 1.072 94 L CA 1.575 56.202 54.840 -0.356 0.000 0.755 94 L CB -0.434 41.372 42.059 -0.421 0.000 0.889 94 L HN 0.342 nan 8.230 nan 0.000 0.432 95 L N -1.448 119.651 121.223 -0.208 0.000 2.131 95 L HA -0.254 4.087 4.340 0.001 0.000 0.210 95 L C 2.384 179.262 176.870 0.013 0.000 1.092 95 L CA 1.089 55.920 54.840 -0.015 0.000 0.759 95 L CB -0.476 41.563 42.059 -0.032 0.000 0.903 95 L HN 0.312 nan 8.230 nan 0.000 0.435 96 L N -0.900 120.216 121.223 -0.178 0.000 2.072 96 L HA -0.118 4.223 4.340 0.001 0.000 0.205 96 L C 2.755 179.581 176.870 -0.074 0.000 1.079 96 L CA 1.036 55.783 54.840 -0.155 0.000 0.752 96 L CB -0.406 41.439 42.059 -0.357 0.000 0.906 96 L HN 0.151 nan 8.230 nan 0.000 0.436 97 R N -0.073 120.369 120.500 -0.096 0.000 2.235 97 R HA -0.129 4.211 4.340 0.001 0.000 0.213 97 R C 2.061 178.294 176.300 -0.111 0.000 1.059 97 R CA 0.748 56.801 56.100 -0.077 0.000 0.997 97 R CB -0.069 30.194 30.300 -0.062 0.000 0.884 97 R HN 0.341 nan 8.270 nan 0.000 0.462 98 K N -0.159 120.150 120.400 -0.152 0.000 2.166 98 K HA -0.014 4.306 4.320 0.001 0.000 0.201 98 K C -0.289 175.984 176.600 -0.546 0.000 1.052 98 K CA 0.695 56.773 56.287 -0.348 0.000 0.969 98 K CB 0.427 32.684 32.500 -0.404 0.000 0.761 98 K HN -0.009 nan 8.250 nan 0.000 0.459 99 Y N 1.057 121.327 120.300 -0.049 0.000 2.712 99 Y HA 0.258 4.808 4.550 0.001 0.000 0.328 99 Y C -1.971 173.921 175.900 -0.013 0.000 0.995 99 Y CA -2.470 55.615 58.100 -0.025 0.000 1.283 99 Y CB 1.580 40.029 38.460 -0.018 0.000 1.092 99 Y HN 0.096 nan 8.280 nan 0.000 0.519 100 P HA -0.179 nan 4.420 nan 0.000 0.218 100 P C 1.230 178.581 177.300 0.086 0.000 1.152 100 P CA 1.399 64.534 63.100 0.060 0.000 0.826 100 P CB 0.504 32.218 31.700 0.023 0.000 0.790 101 K N -0.004 120.451 120.400 0.092 0.000 2.217 101 K HA -0.031 4.290 4.320 0.001 0.000 0.202 101 K C 1.995 178.657 176.600 0.103 0.000 1.051 101 K CA 0.895 57.234 56.287 0.086 0.000 0.952 101 K CB -1.587 30.955 32.500 0.071 0.000 0.736 101 K HN 0.118 nan 8.250 nan 0.000 0.453 102 M N 1.626 121.305 119.600 0.131 0.000 2.077 102 M HA -0.016 4.465 4.480 0.001 0.000 0.261 102 M C 2.101 178.501 176.300 0.167 0.000 1.070 102 M CA 2.014 57.389 55.300 0.126 0.000 1.125 102 M CB -0.797 31.869 32.600 0.109 0.000 1.339 102 M HN 0.223 nan 8.290 nan 0.000 0.409 103 A N 0.244 123.169 122.820 0.175 0.000 1.915 103 A HA -0.281 4.039 4.320 0.001 0.000 0.220 103 A C 1.959 179.702 177.584 0.265 0.000 1.198 103 A CA 2.544 54.727 52.037 0.242 0.000 0.647 103 A CB -1.070 18.029 19.000 0.165 0.000 0.825 103 A HN 0.689 nan 8.150 nan 0.000 0.456 104 E N -0.438 119.857 120.200 0.158 0.000 2.358 104 E HA 0.178 4.528 4.350 0.001 0.000 0.195 104 E C 1.747 178.397 176.600 0.083 0.000 1.010 104 E CA 1.034 57.497 56.400 0.105 0.000 0.856 104 E CB -0.334 29.407 29.700 0.069 0.000 0.795 104 E HN 0.496 nan 8.360 nan 0.000 0.504 105 A N 0.143 123.021 122.820 0.097 0.000 2.067 105 A HA 0.130 4.450 4.320 0.001 0.000 0.217 105 A C 0.886 178.516 177.584 0.077 0.000 1.156 105 A CA 0.150 52.229 52.037 0.070 0.000 0.683 105 A CB -0.257 18.780 19.000 0.062 0.000 0.808 105 A HN 0.228 nan 8.150 nan 0.000 0.455 106 L N -0.092 121.214 121.223 0.138 0.000 2.436 106 L HA 0.195 4.535 4.340 0.001 0.000 0.265 106 L C 0.527 177.414 176.870 0.028 0.000 1.168 106 L CA -0.399 54.528 54.840 0.145 0.000 0.815 106 L CB 0.587 42.866 42.059 0.366 0.000 1.109 106 L HN 0.234 nan 8.230 nan 0.000 0.462 107 D N 0.114 120.497 120.400 -0.028 0.000 2.473 107 D HA 0.107 4.747 4.640 0.001 0.000 0.230 107 D C 0.178 176.374 176.300 -0.173 0.000 1.097 107 D CA 0.515 54.459 54.000 -0.092 0.000 0.861 107 D CB 1.199 41.974 40.800 -0.042 0.000 1.114 107 D HN 0.332 nan 8.370 nan 0.000 0.500 108 K N 0.448 120.748 120.400 -0.166 0.000 2.523 108 K HA 0.316 4.637 4.320 0.001 0.000 0.257 108 K C -1.755 174.828 176.600 -0.028 0.000 0.932 108 K CA -0.499 55.689 56.287 -0.166 0.000 0.812 108 K CB 1.822 34.288 32.500 -0.057 0.000 1.326 108 K HN -0.352 nan 8.250 nan 0.000 0.433 109 F N 2.600 122.611 119.950 0.101 0.000 2.436 109 F HA 0.446 4.973 4.527 0.001 0.000 0.340 109 F C 0.623 176.492 175.800 0.115 0.000 1.113 109 F CA -0.975 57.136 58.000 0.185 0.000 1.022 109 F CB 1.332 40.491 39.000 0.266 0.000 1.128 109 F HN 0.421 nan 8.300 nan 0.000 0.466 110 R N 5.317 125.975 120.500 0.264 0.000 2.308 110 R HA 0.731 5.071 4.340 0.001 0.000 0.305 110 R C -1.024 175.414 176.300 0.231 0.000 1.053 110 R CA -0.360 55.833 56.100 0.155 0.000 0.957 110 R CB 0.705 31.024 30.300 0.032 0.000 1.022 110 R HN 0.856 nan 8.270 nan 0.000 0.461 111 I N 1.488 122.184 120.570 0.210 0.000 2.686 111 I HA 0.444 4.614 4.170 0.001 0.000 0.295 111 I C -1.664 174.578 176.117 0.209 0.000 1.114 111 I CA -1.312 60.129 61.300 0.235 0.000 1.038 111 I CB 2.539 40.691 38.000 0.253 0.000 1.238 111 I HN 0.864 nan 8.210 nan 0.000 0.420 112 N N 5.448 124.263 118.700 0.193 0.000 2.424 112 N HA 0.616 5.356 4.740 0.001 0.000 0.271 112 N C -2.559 173.041 175.510 0.150 0.000 0.985 112 N CA -1.227 51.912 53.050 0.149 0.000 0.921 112 N CB 1.262 39.804 38.487 0.091 0.000 1.149 112 N HN 0.405 nan 8.380 nan 0.000 0.492 125 H N -1.364 117.627 119.070 -0.132 0.000 1.452 125 H HA -0.257 4.300 4.556 0.001 0.000 0.090 125 H C 0.846 176.195 175.328 0.034 0.000 0.644 125 H CA 0.714 56.765 56.048 0.004 0.000 1.901 125 H CB -1.475 28.326 29.762 0.065 0.000 2.257 125 H HN 0.279 nan 8.280 nan 0.000 0.961 126 F N 1.928 121.951 119.950 0.122 0.000 2.187 126 F HA 0.180 4.707 4.527 0.001 0.000 0.295 126 F C 2.353 178.168 175.800 0.026 0.000 1.091 126 F CA 1.787 59.825 58.000 0.064 0.000 1.308 126 F CB -0.708 38.336 39.000 0.075 0.000 1.030 126 F HN 0.437 nan 8.300 nan 0.000 0.487 127 A N 0.345 123.263 122.820 0.163 0.000 1.908 127 A HA -0.267 4.053 4.320 0.001 0.000 0.218 127 A C 2.000 179.507 177.584 -0.129 0.000 1.181 127 A CA 1.924 53.937 52.037 -0.041 0.000 0.627 127 A CB -1.064 17.983 19.000 0.078 0.000 0.818 127 A HN 0.491 nan 8.150 nan 0.000 0.445 128 E N -1.503 118.625 120.200 -0.119 0.000 2.516 128 E HA 0.033 4.383 4.350 0.001 0.000 0.199 128 E C 1.455 177.969 176.600 -0.142 0.000 1.069 128 E CA 0.758 57.065 56.400 -0.156 0.000 0.876 128 E CB -0.207 29.329 29.700 -0.272 0.000 0.843 128 E HN 0.646 nan 8.360 nan 0.000 0.530 129 M N -1.151 118.352 119.600 -0.161 0.000 2.638 129 M HA 0.133 4.614 4.480 0.001 0.000 0.256 129 M C 0.915 177.131 176.300 -0.140 0.000 1.282 129 M CA 0.214 55.428 55.300 -0.143 0.000 1.155 129 M CB 0.359 32.895 32.600 -0.106 0.000 1.345 129 M HN 0.065 nan 8.290 nan 0.000 0.523 130 I N 0.591 120.995 120.570 -0.276 0.000 2.252 130 I HA -0.206 3.964 4.170 0.001 0.000 0.245 130 I C 2.169 178.223 176.117 -0.105 0.000 1.102 130 I CA 1.442 62.605 61.300 -0.228 0.000 1.385 130 I CB -1.272 36.500 38.000 -0.381 0.000 1.064 130 I HN 0.355 nan 8.210 nan 0.000 0.414 131 R N 0.998 121.436 120.500 -0.104 0.000 2.112 131 R HA -0.194 4.146 4.340 0.001 0.000 0.242 131 R C 2.242 178.531 176.300 -0.019 0.000 1.137 131 R CA 2.133 58.200 56.100 -0.055 0.000 0.944 131 R CB -0.534 29.731 30.300 -0.058 0.000 0.857 131 R HN 0.492 nan 8.270 nan 0.000 0.435 132 I N -2.910 117.652 120.570 -0.013 0.000 3.291 132 I HA 0.114 4.284 4.170 0.001 0.000 0.279 132 I C 1.803 178.007 176.117 0.145 0.000 1.294 132 I CA 1.016 62.334 61.300 0.030 0.000 1.428 132 I CB 0.017 38.002 38.000 -0.025 0.000 1.070 132 I HN -0.002 nan 8.210 nan 0.000 0.478 133 A N 2.444 125.359 122.820 0.158 0.000 1.997 133 A HA 0.099 4.420 4.320 0.001 0.000 0.212 133 A C 2.434 180.058 177.584 0.066 0.000 1.178 133 A CA 0.804 52.965 52.037 0.206 0.000 0.698 133 A CB -0.324 18.818 19.000 0.236 0.000 0.842 133 A HN 0.568 nan 8.150 nan 0.000 0.458 134 M N -0.903 118.714 119.600 0.029 0.000 2.200 134 M HA -0.067 4.413 4.480 0.001 0.000 0.265 134 M C 0.946 177.252 176.300 0.011 0.000 1.066 134 M CA 2.306 57.609 55.300 0.005 0.000 1.127 134 M CB -1.141 31.451 32.600 -0.013 0.000 1.379 134 M HN 0.090 nan 8.290 nan 0.000 0.420 135 D N 1.523 121.934 120.400 0.019 0.000 2.178 135 D HA 0.000 4.641 4.640 0.001 0.000 0.201 135 D C 2.113 178.430 176.300 0.028 0.000 0.980 135 D CA 1.164 55.176 54.000 0.019 0.000 0.842 135 D CB -0.070 40.742 40.800 0.019 0.000 0.948 135 D HN 0.356 nan 8.370 nan 0.000 0.472 136 L N -1.332 119.921 121.223 0.050 0.000 2.477 136 L HA 0.178 4.518 4.340 0.001 0.000 0.220 136 L C 1.480 178.356 176.870 0.010 0.000 1.106 136 L CA 0.519 55.391 54.840 0.053 0.000 0.851 136 L CB 0.186 42.321 42.059 0.127 0.000 0.994 136 L HN 0.259 nan 8.230 nan 0.000 0.462 137 G N -0.051 108.746 108.800 -0.005 0.000 2.176 137 G HA2 -0.222 3.738 3.960 0.001 0.000 0.253 137 G HA3 -0.222 3.738 3.960 0.001 0.000 0.253 137 G C 0.209 175.074 174.900 -0.059 0.000 0.979 137 G CA -0.059 45.027 45.100 -0.024 0.000 0.641 137 G HN 0.102 nan 8.290 nan 0.000 0.530 138 K N 1.099 121.433 120.400 -0.110 0.000 2.098 138 K HA 0.561 4.881 4.320 0.001 0.000 0.261 138 K C -2.156 174.326 176.600 -0.197 0.000 0.987 138 K CA -2.223 53.920 56.287 -0.240 0.000 0.916 138 K CB 1.390 33.543 32.500 -0.577 0.000 1.039 138 K HN 0.180 nan 8.250 nan 0.000 0.455 139 P HA 0.200 nan 4.420 nan 0.000 0.281 139 P C -0.593 176.642 177.300 -0.108 0.000 1.249 139 P CA -0.607 62.432 63.100 -0.102 0.000 0.810 139 P CB 1.140 32.806 31.700 -0.056 0.000 1.008 140 V N 1.038 120.950 119.914 -0.003 0.000 2.864 140 V HA 0.641 4.761 4.120 0.001 0.000 0.314 140 V C -0.375 175.762 176.094 0.072 0.000 1.073 140 V CA -1.312 61.033 62.300 0.074 0.000 0.956 140 V CB 2.114 34.022 31.823 0.140 0.000 1.023 140 V HN 0.547 nan 8.190 nan 0.000 0.435 141 R N 4.205 124.751 120.500 0.075 0.000 2.255 141 R HA 0.605 4.945 4.340 0.001 0.000 0.326 141 R C -0.868 175.500 176.300 0.113 0.000 0.986 141 R CA -0.671 55.465 56.100 0.059 0.000 0.847 141 R CB 0.959 31.233 30.300 -0.042 0.000 1.111 141 R HN 0.881 nan 8.270 nan 0.000 0.452 142 I N 4.479 125.136 120.570 0.145 0.000 2.308 142 I HA 0.204 4.375 4.170 0.001 0.000 0.293 142 I C 0.712 176.915 176.117 0.144 0.000 1.078 142 I CA -0.280 61.131 61.300 0.185 0.000 1.292 142 I CB 1.432 39.577 38.000 0.241 0.000 1.423 142 I HN 0.761 nan 8.210 nan 0.000 0.493 143 G N 5.716 114.596 108.800 0.133 0.000 2.607 143 G HA2 0.565 4.525 3.960 0.001 0.000 0.332 143 G HA3 0.565 4.525 3.960 0.001 0.000 0.332 143 G C 0.346 175.308 174.900 0.103 0.000 1.046 143 G CA -0.364 44.808 45.100 0.121 0.000 1.099 143 G HN 0.763 nan 8.290 nan 0.000 0.451 144 A N 3.107 125.975 122.820 0.079 0.000 2.492 144 A HA 0.539 4.859 4.320 0.001 0.000 0.236 144 A C 0.681 178.311 177.584 0.078 0.000 1.078 144 A CA 0.094 52.163 52.037 0.055 0.000 0.773 144 A CB 0.258 19.274 19.000 0.028 0.000 1.023 144 A HN 1.080 nan 8.150 nan 0.000 0.504 145 N N -0.373 118.370 118.700 0.072 0.000 3.261 145 N HA -0.027 4.713 4.740 0.001 0.000 0.248 145 N C 0.653 176.244 175.510 0.135 0.000 1.498 145 N CA -0.379 52.744 53.050 0.121 0.000 0.884 145 N CB 0.037 38.600 38.487 0.127 0.000 1.428 145 N HN 0.719 nan 8.380 nan 0.000 0.517 146 W N 1.366 122.682 121.300 0.027 0.000 2.332 146 W HA 0.020 4.681 4.660 0.001 0.000 0.321 146 W C 0.857 177.382 176.519 0.009 0.000 1.219 146 W CA 2.129 59.486 57.345 0.020 0.000 1.277 146 W CB -0.464 29.012 29.460 0.027 0.000 1.161 146 W HN 0.671 nan 8.180 nan 0.000 0.476 147 G N 1.042 109.755 108.800 -0.145 0.000 3.455 147 G HA2 0.231 4.191 3.960 0.001 0.000 0.250 147 G HA3 0.231 4.191 3.960 0.001 0.000 0.250 147 G C 0.059 174.852 174.900 -0.179 0.000 1.071 147 G CA 0.269 45.218 45.100 -0.252 0.000 1.812 147 G HN 0.202 nan 8.290 nan 0.000 0.643 148 S N -0.730 114.838 115.700 -0.220 0.000 2.475 148 S HA 0.122 4.593 4.470 0.001 0.000 0.270 148 S C 0.558 175.051 174.600 -0.178 0.000 1.026 148 S CA -0.498 57.611 58.200 -0.152 0.000 1.437 148 S CB 0.059 63.213 63.200 -0.076 0.000 1.215 148 S HN 0.279 nan 8.310 nan 0.000 0.648 149 L N 3.479 124.553 121.223 -0.248 0.000 2.462 149 L HA 0.220 4.561 4.340 0.001 0.000 0.272 149 L C 0.241 176.970 176.870 -0.235 0.000 1.166 149 L CA -0.122 54.578 54.840 -0.233 0.000 0.880 149 L CB 0.077 41.949 42.059 -0.313 0.000 1.142 149 L HN 0.182 nan 8.230 nan 0.000 0.473 150 D N 7.016 127.321 120.400 -0.159 0.000 2.412 150 D HA 0.016 4.657 4.640 0.001 0.000 0.257 150 D C -1.263 174.957 176.300 -0.134 0.000 1.217 150 D CA -1.675 52.246 54.000 -0.132 0.000 0.897 150 D CB 1.281 42.024 40.800 -0.094 0.000 1.132 150 D HN 0.273 nan 8.370 nan 0.000 0.493 151 P HA -0.192 nan 4.420 nan 0.000 0.218 151 P C 0.854 178.112 177.300 -0.069 0.000 1.146 151 P CA 1.265 64.295 63.100 -0.117 0.000 0.820 151 P CB 0.179 31.820 31.700 -0.100 0.000 0.778 152 A N -0.472 122.313 122.820 -0.059 0.000 1.898 152 A HA -0.078 4.242 4.320 0.001 0.000 0.214 152 A C 2.182 179.747 177.584 -0.032 0.000 1.183 152 A CA 0.980 52.994 52.037 -0.038 0.000 0.622 152 A CB -1.434 17.546 19.000 -0.034 0.000 0.824 152 A HN 0.169 nan 8.150 nan 0.000 0.444 153 L N -0.237 120.962 121.223 -0.040 0.000 1.970 153 L HA -0.169 4.171 4.340 0.001 0.000 0.212 153 L C 2.255 179.113 176.870 -0.019 0.000 1.071 153 L CA 2.408 57.231 54.840 -0.029 0.000 0.751 153 L CB -0.772 41.265 42.059 -0.036 0.000 0.889 153 L HN 0.336 nan 8.230 nan 0.000 0.432 154 L N -0.523 120.683 121.223 -0.027 0.000 2.021 154 L HA -0.255 4.085 4.340 0.001 0.000 0.215 154 L C 2.353 179.225 176.870 0.004 0.000 1.074 154 L CA 2.719 57.555 54.840 -0.007 0.000 0.760 154 L CB -1.275 40.774 42.059 -0.016 0.000 0.889 154 L HN 0.465 nan 8.230 nan 0.000 0.433 155 T N -0.792 113.759 114.554 -0.004 0.000 2.788 155 T HA -0.227 4.124 4.350 0.001 0.000 0.268 155 T C 1.752 176.453 174.700 0.002 0.000 1.044 155 T CA 1.604 63.706 62.100 0.002 0.000 1.139 155 T CB -0.248 68.619 68.868 -0.003 0.000 0.867 155 T HN 0.549 nan 8.240 nan 0.000 0.454 156 E N 0.700 120.899 120.200 -0.002 0.000 2.046 156 E HA -0.060 4.291 4.350 0.001 0.000 0.190 156 E C 2.225 178.828 176.600 0.005 0.000 0.982 156 E CA 0.691 57.091 56.400 0.000 0.000 0.800 156 E CB -0.169 29.529 29.700 -0.003 0.000 0.756 156 E HN 0.428 nan 8.360 nan 0.000 0.449 157 L N 0.474 121.701 121.223 0.007 0.000 2.083 157 L HA -0.212 4.129 4.340 0.001 0.000 0.209 157 L C 2.808 179.684 176.870 0.010 0.000 1.083 157 L CA 0.897 55.744 54.840 0.012 0.000 0.752 157 L CB -0.342 41.726 42.059 0.016 0.000 0.899 157 L HN 0.315 nan 8.230 nan 0.000 0.433 158 M N -0.769 118.837 119.600 0.010 0.000 2.149 158 M HA -0.226 4.254 4.480 0.001 0.000 0.261 158 M C 1.796 178.101 176.300 0.007 0.000 1.064 158 M CA 1.628 56.934 55.300 0.009 0.000 1.102 158 M CB -0.941 31.668 32.600 0.015 0.000 1.369 158 M HN 0.233 nan 8.290 nan 0.000 0.408 159 D N -0.240 120.165 120.400 0.007 0.000 2.097 159 D HA -0.140 4.500 4.640 0.001 0.000 0.195 159 D C 2.024 178.328 176.300 0.006 0.000 0.989 159 D CA 1.052 55.055 54.000 0.006 0.000 0.827 159 D CB -0.336 40.467 40.800 0.005 0.000 0.966 159 D HN 0.307 nan 8.370 nan 0.000 0.456 160 R N 0.605 121.110 120.500 0.008 0.000 2.091 160 R HA -0.192 4.149 4.340 0.001 0.000 0.238 160 R C 1.948 178.253 176.300 0.009 0.000 1.136 160 R CA 1.595 57.701 56.100 0.010 0.000 0.959 160 R CB -0.182 30.126 30.300 0.013 0.000 0.856 160 R HN 0.052 nan 8.270 nan 0.000 0.437 161 N N 0.174 118.878 118.700 0.007 0.000 2.120 161 N HA -0.147 4.593 4.740 0.001 0.000 0.188 161 N C 1.539 177.050 175.510 0.001 0.000 1.024 161 N CA 1.913 54.964 53.050 0.002 0.000 0.852 161 N CB -0.231 38.253 38.487 -0.005 0.000 1.003 161 N HN 0.335 nan 8.380 nan 0.000 0.424 162 A N -0.447 122.374 122.820 0.002 0.000 2.070 162 A HA -0.089 4.232 4.320 0.001 0.000 0.220 162 A C 2.190 179.776 177.584 0.003 0.000 1.159 162 A CA 1.826 53.864 52.037 0.002 0.000 0.656 162 A CB -0.842 18.160 19.000 0.003 0.000 0.800 162 A HN 0.540 nan 8.150 nan 0.000 0.453 163 S N -0.980 114.723 115.700 0.005 0.000 2.528 163 S HA 0.151 4.622 4.470 0.001 0.000 0.219 163 S C 0.894 175.498 174.600 0.006 0.000 0.985 163 S CA -0.404 57.799 58.200 0.005 0.000 0.914 163 S CB -0.170 63.034 63.200 0.006 0.000 0.776 163 S HN 0.502 nan 8.310 nan 0.000 0.526 164 R N 2.041 122.545 120.500 0.006 0.000 2.643 164 R HA 0.235 4.575 4.340 0.001 0.000 0.270 164 R C -1.678 174.625 176.300 0.006 0.000 1.061 164 R CA -1.338 54.767 56.100 0.008 0.000 1.107 164 R CB 0.060 30.365 30.300 0.008 0.000 0.999 164 R HN 0.152 nan 8.270 nan 0.000 0.460 165 P HA -0.132 nan 4.420 nan 0.000 0.219 165 P C -0.675 176.628 177.300 0.004 0.000 1.146 165 P CA 1.352 64.456 63.100 0.006 0.000 0.808 165 P CB 0.356 32.061 31.700 0.007 0.000 0.779 166 E N -0.852 119.351 120.200 0.004 0.000 2.731 166 E HA 0.240 4.590 4.350 0.001 0.000 0.248 166 E C -2.534 174.064 176.600 -0.003 0.000 1.084 166 E CA -1.875 54.526 56.400 0.001 0.000 0.776 166 E CB 0.834 30.536 29.700 0.003 0.000 1.404 166 E HN 0.110 nan 8.360 nan 0.000 0.395 167 P HA 0.058 nan 4.420 nan 0.000 0.272 167 P C -0.470 176.818 177.300 -0.020 0.000 1.223 167 P CA -0.225 62.870 63.100 -0.010 0.000 0.784 167 P CB 0.884 32.579 31.700 -0.007 0.000 0.923 168 K N 0.330 120.711 120.400 -0.032 0.000 2.209 168 K HA 0.429 4.749 4.320 0.001 0.000 0.238 168 K C 0.645 177.217 176.600 -0.047 0.000 1.028 168 K CA -0.674 55.581 56.287 -0.054 0.000 0.935 168 K CB 0.336 32.780 32.500 -0.093 0.000 1.162 168 K HN 0.533 nan 8.250 nan 0.000 0.485 169 S N -0.278 115.391 115.700 -0.053 0.000 2.600 169 S HA 0.176 4.646 4.470 0.001 0.000 0.265 169 S C 1.158 175.744 174.600 -0.024 0.000 1.325 169 S CA -0.164 58.020 58.200 -0.027 0.000 1.002 169 S CB 1.308 64.501 63.200 -0.012 0.000 0.921 169 S HN 0.650 nan 8.310 nan 0.000 0.554 170 A N 0.715 123.537 122.820 0.003 0.000 1.908 170 A HA -0.130 4.190 4.320 0.001 0.000 0.218 170 A C 2.084 179.678 177.584 0.015 0.000 1.181 170 A CA 2.184 54.228 52.037 0.012 0.000 0.627 170 A CB -1.662 17.354 19.000 0.026 0.000 0.818 170 A HN 1.120 nan 8.150 nan 0.000 0.445 171 H N -0.321 118.713 119.070 -0.060 0.000 2.389 171 H HA -0.043 4.513 4.556 0.001 0.000 0.299 171 H C 1.904 177.170 175.328 -0.103 0.000 1.081 171 H CA 1.934 57.939 56.048 -0.072 0.000 1.345 171 H CB -0.128 29.585 29.762 -0.081 0.000 1.393 171 H HN 0.604 nan 8.280 nan 0.000 0.520 172 E N -0.550 119.533 120.200 -0.195 0.000 2.153 172 E HA -0.125 4.225 4.350 0.001 0.000 0.194 172 E C 2.234 178.648 176.600 -0.310 0.000 0.988 172 E CA 1.223 57.421 56.400 -0.337 0.000 0.811 172 E CB 0.159 29.693 29.700 -0.277 0.000 0.746 172 E HN 0.337 nan 8.360 nan 0.000 0.466 173 V N 0.372 120.184 119.914 -0.170 0.000 2.379 173 V HA -0.203 3.917 4.120 0.001 0.000 0.245 173 V C 2.287 178.339 176.094 -0.070 0.000 1.044 173 V CA 1.064 63.305 62.300 -0.099 0.000 1.036 173 V CB -0.322 31.478 31.823 -0.039 0.000 0.664 173 V HN 0.139 nan 8.190 nan 0.000 0.453 174 V N 0.253 120.122 119.914 -0.074 0.000 2.380 174 V HA -0.289 3.832 4.120 0.001 0.000 0.251 174 V C 2.321 178.393 176.094 -0.037 0.000 1.063 174 V CA 2.115 64.415 62.300 0.000 0.000 1.055 174 V CB -0.579 31.256 31.823 0.021 0.000 0.657 174 V HN 0.475 nan 8.190 nan 0.000 0.455 175 L N -0.500 120.611 121.223 -0.187 0.000 2.093 175 L HA -0.167 4.173 4.340 0.001 0.000 0.208 175 L C 2.528 179.470 176.870 0.118 0.000 1.085 175 L CA 1.566 56.361 54.840 -0.075 0.000 0.755 175 L CB -0.749 41.180 42.059 -0.217 0.000 0.904 175 L HN 0.393 nan 8.230 nan 0.000 0.435 176 E N 0.674 120.904 120.200 0.049 0.000 2.085 176 E HA -0.236 4.114 4.350 0.001 0.000 0.194 176 E C 2.362 179.037 176.600 0.124 0.000 0.994 176 E CA 1.238 57.752 56.400 0.191 0.000 0.801 176 E CB -0.262 29.510 29.700 0.119 0.000 0.743 176 E HN 0.515 nan 8.360 nan 0.000 0.453 177 A N 1.489 124.350 122.820 0.069 0.000 1.908 177 A HA -0.184 4.137 4.320 0.001 0.000 0.218 177 A C 2.190 179.803 177.584 0.048 0.000 1.181 177 A CA 1.125 53.191 52.037 0.047 0.000 0.627 177 A CB -0.544 18.480 19.000 0.040 0.000 0.818 177 A HN 0.193 nan 8.150 nan 0.000 0.445 178 L N -0.167 121.101 121.223 0.075 0.000 2.083 178 L HA -0.097 4.243 4.340 0.001 0.000 0.209 178 L C 2.456 179.354 176.870 0.047 0.000 1.083 178 L CA 1.703 56.587 54.840 0.073 0.000 0.752 178 L CB -0.637 41.487 42.059 0.108 0.000 0.899 178 L HN 0.186 nan 8.230 nan 0.000 0.433 179 V N -0.622 119.334 119.914 0.071 0.000 2.244 179 V HA -0.246 3.874 4.120 0.001 0.000 0.244 179 V C 2.561 178.652 176.094 -0.005 0.000 1.042 179 V CA 1.664 63.969 62.300 0.010 0.000 1.006 179 V CB -0.526 31.308 31.823 0.019 0.000 0.641 179 V HN 0.436 nan 8.190 nan 0.000 0.446 180 E N 0.417 120.631 120.200 0.023 0.000 2.086 180 E HA -0.257 4.093 4.350 0.001 0.000 0.200 180 E C 2.395 178.995 176.600 0.001 0.000 1.012 180 E CA 2.000 58.408 56.400 0.013 0.000 0.812 180 E CB -0.594 29.120 29.700 0.023 0.000 0.743 180 E HN 0.426 nan 8.360 nan 0.000 0.453 181 S N -1.494 114.204 115.700 -0.004 0.000 2.419 181 S HA -0.065 4.406 4.470 0.001 0.000 0.233 181 S C 1.701 176.291 174.600 -0.016 0.000 1.016 181 S CA 1.032 59.219 58.200 -0.023 0.000 0.974 181 S CB -0.284 62.898 63.200 -0.031 0.000 0.786 181 S HN 0.463 nan 8.310 nan 0.000 0.492 182 A N 0.224 123.039 122.820 -0.009 0.000 1.878 182 A HA 0.127 4.447 4.320 0.001 0.000 0.213 182 A C 2.215 179.814 177.584 0.024 0.000 1.192 182 A CA 0.955 52.989 52.037 -0.004 0.000 0.619 182 A CB -0.799 18.170 19.000 -0.052 0.000 0.837 182 A HN 0.356 nan 8.150 nan 0.000 0.446 183 V N 0.556 120.472 119.914 0.002 0.000 2.332 183 V HA -0.288 3.832 4.120 0.001 0.000 0.248 183 V C 2.694 178.867 176.094 0.131 0.000 1.055 183 V CA 2.267 64.595 62.300 0.046 0.000 1.038 183 V CB -0.814 31.012 31.823 0.005 0.000 0.651 183 V HN 0.493 nan 8.190 nan 0.000 0.450 184 R N -0.005 120.534 120.500 0.065 0.000 2.075 184 R HA -0.158 4.182 4.340 0.001 0.000 0.230 184 R C 2.479 178.816 176.300 0.062 0.000 1.140 184 R CA 1.608 57.737 56.100 0.048 0.000 0.928 184 R CB -0.888 29.412 30.300 -0.001 0.000 0.834 184 R HN 0.509 nan 8.270 nan 0.000 0.429 185 A N 0.672 123.509 122.820 0.030 0.000 1.997 185 A HA -0.263 4.057 4.320 0.001 0.000 0.221 185 A C 1.980 179.697 177.584 0.223 0.000 1.172 185 A CA 1.638 53.708 52.037 0.056 0.000 0.645 185 A CB -0.775 18.221 19.000 -0.007 0.000 0.813 185 A HN 0.529 nan 8.150 nan 0.000 0.454 186 Y N 0.311 120.657 120.300 0.077 0.000 2.084 186 Y HA -0.174 4.377 4.550 0.001 0.000 0.279 186 Y C 2.273 178.217 175.900 0.073 0.000 1.119 186 Y CA 2.323 60.469 58.100 0.076 0.000 1.101 186 Y CB -0.716 37.766 38.460 0.036 0.000 0.989 186 Y HN 0.367 nan 8.280 nan 0.000 0.484 187 E N 0.401 120.619 120.200 0.031 0.000 2.108 187 E HA -0.327 4.024 4.350 0.001 0.000 0.203 187 E C 2.263 178.824 176.600 -0.065 0.000 1.022 187 E CA 1.973 58.334 56.400 -0.065 0.000 0.823 187 E CB -0.693 29.036 29.700 0.048 0.000 0.744 187 E HN 0.605 nan 8.360 nan 0.000 0.456 188 A N 0.790 123.626 122.820 0.026 0.000 1.842 188 A HA -0.247 4.073 4.320 0.001 0.000 0.217 188 A C 2.448 180.071 177.584 0.066 0.000 1.206 188 A CA 2.764 54.851 52.037 0.082 0.000 0.630 188 A CB -1.448 17.659 19.000 0.178 0.000 0.839 188 A HN 0.377 nan 8.150 nan 0.000 0.447 189 A N -1.136 121.743 122.820 0.098 0.000 1.927 189 A HA -0.150 4.170 4.320 0.001 0.000 0.220 189 A C 2.072 179.614 177.584 -0.069 0.000 1.185 189 A CA 2.082 54.127 52.037 0.012 0.000 0.639 189 A CB -0.694 18.317 19.000 0.019 0.000 0.820 189 A HN 0.456 nan 8.150 nan 0.000 0.451 190 L N -0.575 120.556 121.223 -0.154 0.000 2.012 190 L HA -0.180 4.160 4.340 0.001 0.000 0.210 190 L C 2.414 179.230 176.870 -0.091 0.000 1.073 190 L CA 2.421 57.162 54.840 -0.166 0.000 0.748 190 L CB -1.334 40.553 42.059 -0.288 0.000 0.891 190 L HN 0.520 nan 8.230 nan 0.000 0.431 191 E N -1.072 119.086 120.200 -0.069 0.000 2.051 191 E HA -0.254 4.097 4.350 0.001 0.000 0.192 191 E C 2.347 178.933 176.600 -0.024 0.000 0.991 191 E CA 1.341 57.720 56.400 -0.036 0.000 0.799 191 E CB -0.224 29.465 29.700 -0.018 0.000 0.748 191 E HN 0.303 nan 8.360 nan 0.000 0.449 192 M N -1.306 118.285 119.600 -0.017 0.000 2.144 192 M HA -0.131 4.350 4.480 0.001 0.000 0.260 192 M C 0.424 176.708 176.300 -0.027 0.000 1.067 192 M CA 1.803 57.093 55.300 -0.016 0.000 1.095 192 M CB 0.166 32.755 32.600 -0.018 0.000 1.365 192 M HN 0.280 nan 8.290 nan 0.000 0.406 193 G N 1.043 109.822 108.800 -0.034 0.000 2.857 193 G HA2 -0.009 3.951 3.960 0.001 0.000 0.166 193 G HA3 -0.009 3.951 3.960 0.001 0.000 0.166 193 G C -1.038 173.842 174.900 -0.032 0.000 1.060 193 G CA -0.598 44.484 45.100 -0.030 0.000 0.976 193 G HN 0.364 nan 8.290 nan 0.000 0.549 194 L N 0.951 122.150 121.223 -0.039 0.000 2.464 194 L HA 0.750 5.091 4.340 0.001 0.000 0.266 194 L C 0.829 177.680 176.870 -0.033 0.000 0.965 194 L CA -0.613 54.207 54.840 -0.033 0.000 0.833 194 L CB 1.801 43.836 42.059 -0.041 0.000 1.296 194 L HN 0.460 nan 8.230 nan 0.000 0.405 195 G N 1.710 110.502 108.800 -0.014 0.000 2.483 195 G HA2 0.136 4.097 3.960 0.001 0.000 0.248 195 G HA3 0.136 4.097 3.960 0.001 0.000 0.248 195 G C 0.437 175.341 174.900 0.007 0.000 1.248 195 G CA -0.236 44.861 45.100 -0.004 0.000 0.838 195 G HN 0.887 nan 8.290 nan 0.000 0.566 196 E N 0.351 120.559 120.200 0.014 0.000 2.339 196 E HA -0.202 4.148 4.350 0.001 0.000 0.201 196 E C 1.581 178.216 176.600 0.058 0.000 1.015 196 E CA 1.224 57.656 56.400 0.053 0.000 0.841 196 E CB 0.153 29.890 29.700 0.061 0.000 0.754 196 E HN 0.640 nan 8.360 nan 0.000 0.508 197 D N 0.535 120.961 120.400 0.043 0.000 2.218 197 D HA -0.131 4.509 4.640 0.001 0.000 0.204 197 D C 0.659 176.988 176.300 0.048 0.000 0.976 197 D CA 1.048 55.078 54.000 0.050 0.000 0.853 197 D CB 0.283 41.111 40.800 0.047 0.000 0.939 197 D HN 0.020 nan 8.370 nan 0.000 0.481 198 K N -0.692 119.731 120.400 0.038 0.000 2.895 198 K HA 0.176 4.497 4.320 0.001 0.000 0.200 198 K C -0.840 175.781 176.600 0.034 0.000 1.133 198 K CA -0.467 55.836 56.287 0.026 0.000 1.060 198 K CB 1.435 33.939 32.500 0.006 0.000 0.735 198 K HN 0.002 nan 8.250 nan 0.000 0.451 199 L N 1.398 122.659 121.223 0.063 0.000 2.372 199 L HA 0.399 4.739 4.340 0.001 0.000 0.273 199 L C -1.138 175.808 176.870 0.127 0.000 0.989 199 L CA -0.828 54.073 54.840 0.102 0.000 0.841 199 L CB 1.720 43.852 42.059 0.122 0.000 1.225 199 L HN -0.165 nan 8.230 nan 0.000 0.414 200 V N 5.576 125.554 119.914 0.107 0.000 2.667 200 V HA 0.563 4.683 4.120 0.001 0.000 0.308 200 V C -0.362 175.803 176.094 0.118 0.000 1.048 200 V CA -0.704 61.656 62.300 0.100 0.000 0.928 200 V CB 2.018 33.880 31.823 0.065 0.000 1.004 200 V HN 0.687 nan 8.190 nan 0.000 0.444 201 L N 3.793 125.084 121.223 0.112 0.000 2.386 201 L HA 0.830 5.170 4.340 0.001 0.000 0.271 201 L C -0.259 176.687 176.870 0.127 0.000 0.993 201 L CA 0.031 54.927 54.840 0.093 0.000 0.819 201 L CB 2.160 44.221 42.059 0.004 0.000 1.294 201 L HN 0.922 nan 8.230 nan 0.000 0.414 202 S N 2.896 118.672 115.700 0.128 0.000 2.651 202 S HA 0.935 5.406 4.470 0.001 0.000 0.279 202 S C -0.815 173.825 174.600 0.067 0.000 1.148 202 S CA -0.280 58.034 58.200 0.190 0.000 0.837 202 S CB 2.204 65.644 63.200 0.399 0.000 1.138 202 S HN 0.918 nan 8.310 nan 0.000 0.478 203 A N 1.473 124.342 122.820 0.083 0.000 3.124 203 A HA 0.562 4.883 4.320 0.001 0.000 0.295 203 A C -0.775 176.925 177.584 0.194 0.000 1.199 203 A CA -0.995 51.072 52.037 0.051 0.000 0.845 203 A CB -0.222 18.706 19.000 -0.119 0.000 1.381 203 A HN 0.880 nan 8.150 nan 0.000 0.537 204 K N 0.300 120.832 120.400 0.219 0.000 2.451 204 K HA 0.476 4.796 4.320 0.001 0.000 0.280 204 K C 0.270 176.979 176.600 0.183 0.000 1.020 204 K CA 0.104 56.520 56.287 0.215 0.000 1.008 204 K CB 0.514 33.117 32.500 0.171 0.000 0.917 204 K HN 0.977 nan 8.250 nan 0.000 0.478 205 V N -1.251 118.770 119.914 0.178 0.000 3.145 205 V HA 0.504 4.624 4.120 0.001 0.000 0.311 205 V C 0.308 176.469 176.094 0.112 0.000 1.238 205 V CA -0.714 61.677 62.300 0.152 0.000 1.066 205 V CB 1.778 33.707 31.823 0.177 0.000 1.144 205 V HN 0.725 nan 8.190 nan 0.000 0.465 206 S N -0.999 114.759 115.700 0.097 0.000 2.514 206 S HA 0.340 4.810 4.470 0.001 0.000 0.223 206 S C 0.422 175.047 174.600 0.042 0.000 1.046 206 S CA 0.079 58.312 58.200 0.054 0.000 0.914 206 S CB -0.032 63.185 63.200 0.028 0.000 0.807 206 S HN 0.705 nan 8.310 nan 0.000 0.497 207 K N 0.710 121.148 120.400 0.062 0.000 2.259 207 K HA 0.648 4.968 4.320 0.001 0.000 0.252 207 K C 0.827 177.466 176.600 0.064 0.000 0.936 207 K CA -0.206 56.109 56.287 0.046 0.000 0.810 207 K CB 1.746 34.267 32.500 0.036 0.000 1.143 207 K HN 0.065 nan 8.250 nan 0.000 0.427 208 A N 3.155 126.000 122.820 0.042 0.000 1.870 208 A HA -0.276 4.045 4.320 0.001 0.000 0.219 208 A C 1.974 179.603 177.584 0.073 0.000 1.224 208 A CA 1.828 53.890 52.037 0.042 0.000 0.650 208 A CB -0.485 18.530 19.000 0.025 0.000 0.836 208 A HN 0.843 nan 8.150 nan 0.000 0.454 209 R N -0.668 119.879 120.500 0.077 0.000 2.096 209 R HA -0.171 4.169 4.340 0.001 0.000 0.240 209 R C 1.867 178.269 176.300 0.171 0.000 1.139 209 R CA 1.646 57.810 56.100 0.107 0.000 0.952 209 R CB -0.667 29.683 30.300 0.084 0.000 0.854 209 R HN 0.578 nan 8.270 nan 0.000 0.436 210 D N 0.884 121.387 120.400 0.170 0.000 2.106 210 D HA -0.195 4.446 4.640 0.001 0.000 0.191 210 D C 1.838 178.302 176.300 0.273 0.000 0.997 210 D CA 0.969 55.101 54.000 0.220 0.000 0.834 210 D CB -0.404 40.523 40.800 0.211 0.000 0.956 210 D HN 0.033 nan 8.370 nan 0.000 0.448 211 L N 0.436 121.786 121.223 0.212 0.000 2.013 211 L HA -0.198 4.142 4.340 0.001 0.000 0.212 211 L C 2.248 179.265 176.870 0.245 0.000 1.073 211 L CA 1.321 56.297 54.840 0.227 0.000 0.753 211 L CB -0.259 41.853 42.059 0.088 0.000 0.890 211 L HN -0.061 nan 8.230 nan 0.000 0.432 212 V N -1.648 118.373 119.914 0.178 0.000 2.343 212 V HA -0.314 3.807 4.120 0.001 0.000 0.247 212 V C 2.043 178.250 176.094 0.187 0.000 1.051 212 V CA 2.136 64.525 62.300 0.148 0.000 1.036 212 V CB -0.913 30.980 31.823 0.118 0.000 0.654 212 V HN 0.767 nan 8.190 nan 0.000 0.451 213 W N 0.062 121.407 121.300 0.076 0.000 2.409 213 W HA -0.108 4.553 4.660 0.000 0.000 0.299 213 W C 2.270 178.821 176.519 0.052 0.000 1.203 213 W CA 1.615 58.992 57.345 0.053 0.000 1.298 213 W CB -0.136 29.346 29.460 0.036 0.000 1.127 213 W HN -0.013 nan 8.180 nan 0.000 0.528 214 V N 0.150 120.229 119.914 0.275 0.000 2.270 214 V HA -0.332 3.788 4.120 0.001 0.000 0.245 214 V C 1.911 177.929 176.094 -0.126 0.000 1.043 214 V CA 2.003 64.356 62.300 0.089 0.000 1.014 214 V CB -1.158 30.799 31.823 0.222 0.000 0.645 214 V HN 0.166 nan 8.190 nan 0.000 0.447 215 Y N 0.323 120.588 120.300 -0.058 0.000 2.439 215 Y HA -0.068 4.483 4.550 0.001 0.000 0.292 215 Y C 2.593 178.411 175.900 -0.137 0.000 1.130 215 Y CA 0.931 58.981 58.100 -0.083 0.000 1.254 215 Y CB -0.337 38.098 38.460 -0.041 0.000 1.000 215 Y HN 0.143 nan 8.280 nan 0.000 0.554 216 R N 0.013 120.480 120.500 -0.055 0.000 2.075 216 R HA -0.139 4.202 4.340 0.001 0.000 0.232 216 R C 1.937 178.082 176.300 -0.258 0.000 1.126 216 R CA 1.284 57.295 56.100 -0.148 0.000 0.963 216 R CB -0.265 29.932 30.300 -0.172 0.000 0.858 216 R HN 0.346 nan 8.270 nan 0.000 0.435 217 E N 0.980 120.918 120.200 -0.436 0.000 2.021 217 E HA -0.193 4.158 4.350 0.001 0.000 0.200 217 E C 2.117 178.540 176.600 -0.294 0.000 1.015 217 E CA 1.141 57.267 56.400 -0.455 0.000 0.824 217 E CB -0.344 28.948 29.700 -0.679 0.000 0.762 217 E HN 0.089 nan 8.360 nan 0.000 0.454 218 L N 0.963 122.010 121.223 -0.294 0.000 2.051 218 L HA -0.223 4.117 4.340 0.001 0.000 0.214 218 L C 2.424 179.167 176.870 -0.211 0.000 1.076 218 L CA 2.008 56.684 54.840 -0.274 0.000 0.758 218 L CB -1.400 40.435 42.059 -0.374 0.000 0.890 218 L HN 0.102 nan 8.230 nan 0.000 0.433 219 A N -1.092 121.639 122.820 -0.148 0.000 1.908 219 A HA -0.246 4.074 4.320 0.001 0.000 0.218 219 A C 2.581 180.102 177.584 -0.105 0.000 1.181 219 A CA 1.931 53.911 52.037 -0.095 0.000 0.627 219 A CB -0.501 18.469 19.000 -0.050 0.000 0.818 219 A HN 0.390 nan 8.150 nan 0.000 0.445 220 R N -1.033 119.393 120.500 -0.123 0.000 2.093 220 R HA 0.034 4.374 4.340 0.001 0.000 0.224 220 R C 2.322 178.562 176.300 -0.100 0.000 1.101 220 R CA 1.046 57.084 56.100 -0.103 0.000 0.979 220 R CB -0.083 30.148 30.300 -0.114 0.000 0.877 220 R HN 0.493 nan 8.270 nan 0.000 0.441 221 R N -0.382 120.040 120.500 -0.130 0.000 2.140 221 R HA 0.024 4.364 4.340 0.001 0.000 0.213 221 R C 1.022 177.248 176.300 -0.123 0.000 1.059 221 R CA 1.162 57.196 56.100 -0.109 0.000 1.000 221 R CB 0.233 30.466 30.300 -0.111 0.000 0.910 221 R HN 0.235 nan 8.270 nan 0.000 0.455 222 T N -1.997 112.417 114.554 -0.234 0.000 2.897 222 T HA 0.157 4.508 4.350 0.001 0.000 0.278 222 T C 0.601 175.170 174.700 -0.217 0.000 0.981 222 T CA -0.759 61.099 62.100 -0.404 0.000 0.973 222 T CB 1.699 70.016 68.868 -0.918 0.000 1.092 222 T HN 0.059 nan 8.240 nan 0.000 0.543 223 Q N -0.247 119.467 119.800 -0.143 0.000 2.179 223 Q HA 0.414 4.755 4.340 0.001 0.000 0.213 223 Q C 0.433 176.432 176.000 -0.002 0.000 0.833 223 Q CA -0.574 55.223 55.803 -0.009 0.000 0.990 223 Q CB 0.785 29.579 28.738 0.092 0.000 1.132 223 Q HN 0.795 nan 8.270 nan 0.000 0.493 224 A N 2.514 125.276 122.820 -0.097 0.000 2.340 224 A HA 0.494 4.814 4.320 0.001 0.000 0.268 224 A C -2.367 175.219 177.584 0.005 0.000 1.100 224 A CA -1.429 50.608 52.037 -0.001 0.000 0.803 224 A CB 0.056 19.030 19.000 -0.044 0.000 1.043 224 A HN -0.076 nan 8.150 nan 0.000 0.488 225 P HA 0.198 nan 4.420 nan 0.000 0.265 225 P C -0.978 176.368 177.300 0.078 0.000 1.187 225 P CA 0.537 63.670 63.100 0.055 0.000 0.766 225 P CB 0.280 32.017 31.700 0.061 0.000 0.820 226 L N 2.926 124.212 121.223 0.104 0.000 2.341 226 L HA 0.398 4.738 4.340 0.001 0.000 0.278 226 L C 0.277 177.286 176.870 0.231 0.000 1.005 226 L CA -0.796 54.155 54.840 0.186 0.000 0.818 226 L CB 1.385 43.580 42.059 0.225 0.000 1.259 226 L HN 0.458 nan 8.230 nan 0.000 0.418 227 H N 4.017 123.202 119.070 0.192 0.000 2.597 227 H HA 0.526 5.082 4.556 0.001 0.000 0.303 227 H C -1.214 174.191 175.328 0.127 0.000 1.057 227 H CA -0.295 55.831 56.048 0.129 0.000 1.261 227 H CB 0.669 30.504 29.762 0.121 0.000 1.397 227 H HN 0.400 nan 8.280 nan 0.000 0.461 228 L N 5.185 126.187 121.223 -0.369 0.000 2.295 228 L HA 0.691 5.032 4.340 0.001 0.000 0.285 228 L C 0.499 177.081 176.870 -0.480 0.000 1.035 228 L CA -0.495 54.016 54.840 -0.549 0.000 0.806 228 L CB 1.808 43.553 42.059 -0.524 0.000 1.214 228 L HN 0.855 nan 8.230 nan 0.000 0.426 229 G N 2.405 111.001 108.800 -0.339 0.000 2.702 229 G HA2 0.533 4.494 3.960 0.001 0.000 0.296 229 G HA3 0.533 4.494 3.960 0.001 0.000 0.296 229 G C -2.016 172.845 174.900 -0.066 0.000 1.463 229 G CA -0.526 44.463 45.100 -0.185 0.000 0.890 229 G HN 0.192 nan 8.290 nan 0.000 0.534 230 L N 1.263 122.465 121.223 -0.036 0.000 2.416 230 L HA 0.697 5.037 4.340 0.001 0.000 0.262 230 L C 1.589 178.482 176.870 0.037 0.000 1.093 230 L CA -0.373 54.474 54.840 0.011 0.000 0.801 230 L CB 1.444 43.502 42.059 -0.003 0.000 1.191 230 L HN 0.852 nan 8.230 nan 0.000 0.459 231 T N -0.907 113.679 114.554 0.053 0.000 2.802 231 T HA 0.120 4.470 4.350 0.001 0.000 0.305 231 T C 0.339 175.061 174.700 0.037 0.000 1.053 231 T CA -0.748 61.385 62.100 0.055 0.000 1.058 231 T CB 0.222 69.125 68.868 0.057 0.000 0.988 231 T HN 0.478 nan 8.240 nan 0.000 0.539 232 E N 0.596 120.819 120.200 0.039 0.000 2.452 232 E HA 0.361 4.711 4.350 0.001 0.000 0.261 232 E C -0.195 176.417 176.600 0.020 0.000 0.987 232 E CA 0.280 56.698 56.400 0.030 0.000 0.926 232 E CB 0.642 30.362 29.700 0.033 0.000 0.934 232 E HN 0.854 nan 8.360 nan 0.000 0.452 233 A N 2.617 125.446 122.820 0.015 0.000 2.556 233 A HA 0.665 4.985 4.320 0.001 0.000 0.294 233 A C -0.020 177.570 177.584 0.009 0.000 1.091 233 A CA -0.178 51.864 52.037 0.009 0.000 0.704 233 A CB 1.590 20.593 19.000 0.005 0.000 1.300 233 A HN 0.549 nan 8.150 nan 0.000 0.406 234 G N -0.169 108.635 108.800 0.006 0.000 2.539 234 G HA2 0.501 4.461 3.960 0.001 0.000 0.258 234 G HA3 0.501 4.461 3.960 0.001 0.000 0.258 234 G C 0.151 175.054 174.900 0.005 0.000 1.202 234 G CA -0.356 44.748 45.100 0.006 0.000 0.851 234 G HN 0.810 nan 8.290 nan 0.000 0.556 235 M N 1.203 120.806 119.600 0.006 0.000 2.248 235 M HA 0.482 4.963 4.480 0.001 0.000 0.345 235 M C 0.601 176.903 176.300 0.003 0.000 1.243 235 M CA 0.806 56.109 55.300 0.005 0.000 1.090 235 M CB 0.069 32.673 32.600 0.007 0.000 1.683 235 M HN 0.999 nan 8.290 nan 0.000 0.450 236 G N 2.609 111.411 108.800 0.002 0.000 2.317 236 G HA2 0.306 4.267 3.960 0.001 0.000 0.293 236 G HA3 0.306 4.267 3.960 0.001 0.000 0.293 236 G C -0.291 174.609 174.900 0.000 0.000 1.287 236 G CA -0.495 44.605 45.100 0.001 0.000 0.850 236 G HN 0.528 nan 8.290 nan 0.000 0.515 237 V N 0.595 120.509 119.914 -0.001 0.000 2.307 237 V HA -0.103 4.017 4.120 0.001 0.000 0.245 237 V C 2.903 178.995 176.094 -0.002 0.000 1.045 237 V CA 2.724 65.023 62.300 -0.002 0.000 1.024 237 V CB -0.654 31.168 31.823 -0.003 0.000 0.651 237 V HN 0.786 nan 8.190 nan 0.000 0.449 238 K N 0.275 120.672 120.400 -0.004 0.000 2.059 238 K HA -0.234 4.087 4.320 0.001 0.000 0.212 238 K C 2.079 178.677 176.600 -0.004 0.000 1.050 238 K CA 2.103 58.387 56.287 -0.005 0.000 0.927 238 K CB -0.704 31.792 32.500 -0.006 0.000 0.714 238 K HN 0.519 nan 8.250 nan 0.000 0.447 239 G N 0.365 109.163 108.800 -0.002 0.000 2.396 239 G HA2 -0.152 3.808 3.960 0.001 0.000 0.214 239 G HA3 -0.152 3.808 3.960 0.001 0.000 0.214 239 G C 1.489 176.388 174.900 -0.001 0.000 1.166 239 G CA 0.703 45.802 45.100 -0.001 0.000 0.793 239 G HN 0.253 nan 8.290 nan 0.000 0.533 240 I N 0.324 120.894 120.570 0.000 0.000 2.179 240 I HA -0.154 4.017 4.170 0.001 0.000 0.242 240 I C 2.785 178.901 176.117 -0.001 0.000 1.088 240 I CA 0.528 61.829 61.300 0.001 0.000 1.357 240 I CB -0.223 37.779 38.000 0.003 0.000 1.051 240 I HN 0.017 nan 8.210 nan 0.000 0.409 241 V N 0.913 120.826 119.914 -0.002 0.000 2.261 241 V HA -0.324 3.796 4.120 0.001 0.000 0.246 241 V C 2.701 178.792 176.094 -0.004 0.000 1.047 241 V CA 2.128 64.426 62.300 -0.003 0.000 1.015 241 V CB -0.977 30.844 31.823 -0.003 0.000 0.642 241 V HN 0.512 nan 8.190 nan 0.000 0.446 242 A N 0.582 123.399 122.820 -0.004 0.000 1.908 242 A HA -0.228 4.092 4.320 0.001 0.000 0.218 242 A C 2.471 180.049 177.584 -0.009 0.000 1.181 242 A CA 2.504 54.538 52.037 -0.004 0.000 0.627 242 A CB -0.734 18.264 19.000 -0.003 0.000 0.818 242 A HN 0.693 nan 8.150 nan 0.000 0.445 243 S N -0.039 115.654 115.700 -0.012 0.000 2.428 243 S HA 0.183 4.654 4.470 0.001 0.000 0.230 243 S C 2.046 176.631 174.600 -0.026 0.000 1.014 243 S CA 0.989 59.176 58.200 -0.022 0.000 0.957 243 S CB -0.483 62.703 63.200 -0.023 0.000 0.784 243 S HN 0.803 nan 8.310 nan 0.000 0.499 244 A N 2.276 125.087 122.820 -0.016 0.000 1.872 244 A HA 0.390 4.711 4.320 0.001 0.000 0.214 244 A C 2.489 180.065 177.584 -0.014 0.000 1.187 244 A CA 1.426 53.454 52.037 -0.014 0.000 0.614 244 A CB -1.416 17.581 19.000 -0.006 0.000 0.826 244 A HN 0.739 nan 8.150 nan 0.000 0.442 245 A N -0.506 122.309 122.820 -0.009 0.000 2.070 245 A HA 0.196 4.516 4.320 0.001 0.000 0.220 245 A C 2.291 179.871 177.584 -0.007 0.000 1.159 245 A CA 2.030 54.064 52.037 -0.005 0.000 0.656 245 A CB -0.604 18.396 19.000 -0.000 0.000 0.800 245 A HN 0.951 nan 8.150 nan 0.000 0.453 246 A N -1.323 121.487 122.820 -0.017 0.000 1.924 246 A HA 0.334 4.654 4.320 0.001 0.000 0.211 246 A C 1.853 179.406 177.584 -0.051 0.000 1.198 246 A CA 0.970 52.993 52.037 -0.023 0.000 0.657 246 A CB -0.293 18.692 19.000 -0.026 0.000 0.852 246 A HN 0.342 nan 8.150 nan 0.000 0.454 247 L N -0.266 120.917 121.223 -0.065 0.000 2.179 247 L HA 0.107 4.448 4.340 0.001 0.000 0.208 247 L C 2.853 179.686 176.870 -0.062 0.000 1.096 247 L CA 1.514 56.300 54.840 -0.090 0.000 0.779 247 L CB -0.775 41.228 42.059 -0.094 0.000 0.922 247 L HN 0.369 nan 8.230 nan 0.000 0.443 248 A N 0.458 123.255 122.820 -0.038 0.000 1.865 248 A HA -0.115 4.206 4.320 0.001 0.000 0.217 248 A C -0.006 177.565 177.584 -0.022 0.000 1.191 248 A CA 1.788 53.810 52.037 -0.025 0.000 0.623 248 A CB -1.960 17.031 19.000 -0.014 0.000 0.826 248 A HN 0.297 nan 8.150 nan 0.000 0.444 249 P HA -0.122 nan 4.420 nan 0.000 0.218 249 P C 1.404 178.698 177.300 -0.012 0.000 1.148 249 P CA 0.904 64.001 63.100 -0.006 0.000 0.822 249 P CB -0.131 31.573 31.700 0.006 0.000 0.784 250 L N -1.649 119.559 121.223 -0.025 0.000 2.023 250 L HA -0.110 4.231 4.340 0.001 0.000 0.205 250 L C 2.483 179.334 176.870 -0.032 0.000 1.073 250 L CA 1.222 56.044 54.840 -0.030 0.000 0.745 250 L CB -1.118 40.905 42.059 -0.060 0.000 0.900 250 L HN -0.104 nan 8.230 nan 0.000 0.435 251 L N -0.474 120.724 121.223 -0.042 0.000 2.079 251 L HA -0.241 4.099 4.340 0.001 0.000 0.210 251 L C 2.540 179.397 176.870 -0.023 0.000 1.081 251 L CA 1.063 55.883 54.840 -0.034 0.000 0.752 251 L CB -0.590 41.447 42.059 -0.038 0.000 0.896 251 L HN 0.263 nan 8.230 nan 0.000 0.433 252 L N -0.220 120.992 121.223 -0.019 0.000 2.081 252 L HA -0.252 4.088 4.340 0.001 0.000 0.212 252 L C 2.488 179.350 176.870 -0.014 0.000 1.080 252 L CA 1.441 56.272 54.840 -0.015 0.000 0.754 252 L CB -0.336 41.716 42.059 -0.011 0.000 0.893 252 L HN 0.344 nan 8.230 nan 0.000 0.433 253 E N -0.536 119.655 120.200 -0.014 0.000 2.481 253 E HA -0.009 4.342 4.350 0.001 0.000 0.195 253 E C 1.039 177.631 176.600 -0.014 0.000 1.047 253 E CA 0.464 56.857 56.400 -0.012 0.000 0.867 253 E CB 0.237 29.931 29.700 -0.010 0.000 0.858 253 E HN 0.493 nan 8.360 nan 0.000 0.513 254 G N 1.247 110.037 108.800 -0.015 0.000 2.142 254 G HA2 -0.236 3.724 3.960 0.001 0.000 0.225 254 G HA3 -0.236 3.724 3.960 0.001 0.000 0.225 254 G C -0.019 174.873 174.900 -0.012 0.000 1.015 254 G CA 0.148 45.239 45.100 -0.015 0.000 0.716 254 G HN 0.220 nan 8.290 nan 0.000 0.508 255 I N 0.474 121.037 120.570 -0.012 0.000 2.404 255 I HA 0.659 4.829 4.170 0.001 0.000 0.293 255 I C 0.780 176.891 176.117 -0.009 0.000 0.992 255 I CA -0.062 61.237 61.300 -0.001 0.000 1.149 255 I CB 1.771 39.777 38.000 0.011 0.000 1.315 255 I HN 0.952 nan 8.210 nan 0.000 0.446 256 G N 4.567 113.375 108.800 0.014 0.000 2.674 256 G HA2 -0.101 3.859 3.960 0.001 0.000 0.686 256 G HA3 -0.101 3.859 3.960 0.001 0.000 0.686 256 G C -0.666 174.242 174.900 0.013 0.000 1.195 256 G CA -0.623 44.482 45.100 0.009 0.000 0.776 256 G HN 0.718 nan 8.290 nan 0.000 0.654 257 D N -0.453 119.969 120.400 0.036 0.000 2.399 257 D HA 0.127 4.767 4.640 0.001 0.000 0.269 257 D C 0.565 176.899 176.300 0.056 0.000 1.105 257 D CA 1.027 55.054 54.000 0.045 0.000 0.844 257 D CB 1.128 41.962 40.800 0.055 0.000 1.372 257 D HN 0.524 nan 8.370 nan 0.000 0.517 258 T N 1.836 116.435 114.554 0.075 0.000 2.876 258 T HA 0.616 4.966 4.350 0.001 0.000 0.289 258 T C 0.010 174.705 174.700 -0.009 0.000 1.014 258 T CA -0.689 61.469 62.100 0.095 0.000 0.986 258 T CB 2.453 71.490 68.868 0.281 0.000 1.021 258 T HN 0.050 nan 8.240 nan 0.000 0.458 259 I N -0.310 120.233 120.570 -0.045 0.000 2.740 259 I HA 0.935 5.105 4.170 0.001 0.000 0.303 259 I C -0.609 175.437 176.117 -0.117 0.000 1.044 259 I CA -1.375 59.837 61.300 -0.146 0.000 1.064 259 I CB 2.214 40.146 38.000 -0.114 0.000 1.249 259 I HN 0.634 nan 8.210 nan 0.000 0.433 260 R N 4.070 124.464 120.500 -0.177 0.000 2.510 260 R HA 0.653 4.994 4.340 0.001 0.000 0.287 260 R C -2.323 173.936 176.300 -0.069 0.000 1.084 260 R CA -0.530 55.524 56.100 -0.076 0.000 0.934 260 R CB 2.021 32.320 30.300 -0.000 0.000 1.201 260 R HN 0.651 nan 8.270 nan 0.000 0.431 261 V N 3.326 123.222 119.914 -0.031 0.000 2.439 261 V HA 0.422 4.542 4.120 0.001 0.000 0.282 261 V C -0.227 175.868 176.094 0.002 0.000 1.039 261 V CA -0.428 61.859 62.300 -0.020 0.000 0.913 261 V CB 1.792 33.606 31.823 -0.014 0.000 0.983 261 V HN 0.806 nan 8.190 nan 0.000 0.460 262 S N 6.309 122.012 115.700 0.006 0.000 2.577 262 S HA 0.659 5.129 4.470 0.001 0.000 0.294 262 S C -0.585 174.025 174.600 0.015 0.000 1.161 262 S CA -0.396 57.815 58.200 0.018 0.000 1.143 262 S CB 0.122 63.339 63.200 0.028 0.000 0.991 262 S HN 0.505 nan 8.310 nan 0.000 0.475 263 L N 2.272 123.504 121.223 0.015 0.000 2.365 263 L HA 0.515 4.856 4.340 0.001 0.000 0.273 263 L C 0.158 177.037 176.870 0.015 0.000 1.000 263 L CA -0.872 53.975 54.840 0.013 0.000 0.819 263 L CB 1.851 43.917 42.059 0.010 0.000 1.284 263 L HN 0.286 nan 8.230 nan 0.000 0.418 264 T N 3.985 118.547 114.554 0.014 0.000 2.751 264 T HA 0.194 4.545 4.350 0.001 0.000 0.290 264 T C -2.104 172.604 174.700 0.013 0.000 0.919 264 T CA -0.700 61.409 62.100 0.015 0.000 1.136 264 T CB 0.102 68.979 68.868 0.014 0.000 0.875 264 T HN 0.355 nan 8.240 nan 0.000 0.532 265 P HA 0.192 nan 4.420 nan 0.000 0.274 265 P C 0.001 177.308 177.300 0.011 0.000 1.246 265 P CA -0.628 62.479 63.100 0.012 0.000 0.795 265 P CB 0.503 32.211 31.700 0.014 0.000 1.006 266 S N -0.404 115.302 115.700 0.009 0.000 2.569 266 S HA 0.325 4.795 4.470 0.001 0.000 0.274 266 S C -1.574 173.031 174.600 0.009 0.000 1.353 266 S CA -0.628 57.577 58.200 0.008 0.000 1.023 266 S CB -1.662 61.542 63.200 0.007 0.000 0.876 266 S HN 0.652 nan 8.310 nan 0.000 0.540 267 P HA 0.350 nan 4.420 nan 0.000 0.265 267 P C 0.769 178.074 177.300 0.008 0.000 1.187 267 P CA 1.055 64.160 63.100 0.008 0.000 0.766 267 P CB -0.689 31.015 31.700 0.007 0.000 0.820 268 K N -2.021 118.384 120.400 0.009 0.000 3.547 268 K HA -0.095 4.226 4.320 0.001 0.000 0.309 268 K C 0.452 177.058 176.600 0.009 0.000 1.324 268 K CA 2.724 59.015 56.287 0.008 0.000 0.988 268 K CB -2.615 29.889 32.500 0.007 0.000 1.261 268 K HN 1.572 nan 8.250 nan 0.000 0.444 269 E N 1.185 121.390 120.200 0.010 0.000 2.250 269 E HA 0.702 5.053 4.350 0.001 0.000 0.269 269 E C -2.110 174.497 176.600 0.013 0.000 1.018 269 E CA -1.445 54.961 56.400 0.011 0.000 0.873 269 E CB 0.813 30.519 29.700 0.010 0.000 1.134 269 E HN 0.557 nan 8.360 nan 0.000 0.403 270 P HA 0.324 nan 4.420 nan 0.000 0.279 270 P C -0.585 176.726 177.300 0.017 0.000 1.252 270 P CA -0.461 62.648 63.100 0.016 0.000 0.811 270 P CB 0.877 32.587 31.700 0.016 0.000 1.035 271 R N 0.464 120.976 120.500 0.019 0.000 4.624 271 R HA 0.076 4.417 4.340 0.001 0.000 0.214 271 R C 1.276 177.588 176.300 0.021 0.000 2.026 271 R CA 0.233 56.345 56.100 0.020 0.000 1.676 271 R CB -0.927 29.387 30.300 0.022 0.000 1.291 271 R HN 0.585 nan 8.270 nan 0.000 0.739 272 T N -2.543 112.023 114.554 0.020 0.000 2.896 272 T HA -0.121 4.230 4.350 0.001 0.000 0.263 272 T C 1.804 176.516 174.700 0.020 0.000 1.050 272 T CA 0.547 62.659 62.100 0.020 0.000 1.140 272 T CB 0.110 68.990 68.868 0.019 0.000 0.877 272 T HN 0.232 nan 8.240 nan 0.000 0.457 273 K N 1.930 122.342 120.400 0.020 0.000 2.057 273 K HA -0.180 4.141 4.320 0.001 0.000 0.207 273 K C 2.492 179.105 176.600 0.020 0.000 1.049 273 K CA 1.682 57.982 56.287 0.021 0.000 0.931 273 K CB -0.208 32.303 32.500 0.018 0.000 0.714 273 K HN 0.707 nan 8.250 nan 0.000 0.440 274 E N 0.068 120.278 120.200 0.017 0.000 2.209 274 E HA -0.176 4.175 4.350 0.001 0.000 0.196 274 E C 1.699 178.306 176.600 0.012 0.000 0.993 274 E CA 1.418 57.826 56.400 0.014 0.000 0.819 274 E CB -0.243 29.466 29.700 0.015 0.000 0.745 274 E HN 0.113 nan 8.360 nan 0.000 0.477 275 V N 1.697 121.619 119.914 0.014 0.000 2.307 275 V HA -0.245 3.876 4.120 0.001 0.000 0.245 275 V C 2.529 178.626 176.094 0.005 0.000 1.045 275 V CA 2.125 64.429 62.300 0.008 0.000 1.024 275 V CB -0.622 31.206 31.823 0.008 0.000 0.651 275 V HN 0.370 nan 8.190 nan 0.000 0.449 276 E N 0.231 120.443 120.200 0.021 0.000 2.058 276 E HA -0.248 4.102 4.350 0.001 0.000 0.194 276 E C 2.315 178.944 176.600 0.048 0.000 0.997 276 E CA 2.047 58.474 56.400 0.045 0.000 0.801 276 E CB -0.135 29.601 29.700 0.060 0.000 0.746 276 E HN 0.465 nan 8.360 nan 0.000 0.450 277 V N 0.300 120.233 119.914 0.032 0.000 2.427 277 V HA -0.161 3.959 4.120 0.001 0.000 0.248 277 V C 2.246 178.350 176.094 0.017 0.000 1.051 277 V CA 2.126 64.443 62.300 0.028 0.000 1.048 277 V CB -0.531 31.302 31.823 0.018 0.000 0.666 277 V HN 0.367 nan 8.190 nan 0.000 0.456 278 A N -0.772 122.050 122.820 0.002 0.000 1.908 278 A HA -0.275 4.045 4.320 0.001 0.000 0.218 278 A C 2.205 179.778 177.584 -0.020 0.000 1.181 278 A CA 2.175 54.203 52.037 -0.014 0.000 0.627 278 A CB -0.668 18.320 19.000 -0.020 0.000 0.818 278 A HN 0.711 nan 8.150 nan 0.000 0.445 279 Q N -0.950 118.835 119.800 -0.026 0.000 2.079 279 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 279 Q C 1.945 177.945 176.000 0.000 0.000 0.974 279 Q CA 1.298 57.060 55.803 -0.068 0.000 0.840 279 Q CB -0.084 28.558 28.738 -0.161 0.000 0.898 279 Q HN 0.590 nan 8.270 nan 0.000 0.430 280 E N 0.443 120.692 120.200 0.082 0.000 2.153 280 E HA -0.155 4.195 4.350 0.001 0.000 0.194 280 E C 1.910 178.554 176.600 0.073 0.000 0.988 280 E CA 0.836 57.318 56.400 0.138 0.000 0.811 280 E CB -0.086 29.687 29.700 0.121 0.000 0.746 280 E HN 0.438 nan 8.360 nan 0.000 0.466 281 I N 0.552 121.142 120.570 0.033 0.000 2.252 281 I HA -0.237 3.934 4.170 0.001 0.000 0.245 281 I C 2.396 178.518 176.117 0.009 0.000 1.102 281 I CA 0.748 62.056 61.300 0.013 0.000 1.385 281 I CB -0.120 37.875 38.000 -0.008 0.000 1.064 281 I HN 0.035 nan 8.210 nan 0.000 0.414 282 L N -0.196 121.027 121.223 -0.001 0.000 2.156 282 L HA -0.186 4.155 4.340 0.001 0.000 0.208 282 L C 2.641 179.517 176.870 0.009 0.000 1.095 282 L CA 0.987 55.822 54.840 -0.009 0.000 0.770 282 L CB -0.474 41.568 42.059 -0.029 0.000 0.914 282 L HN 0.328 nan 8.230 nan 0.000 0.439 283 Q N -0.009 119.811 119.800 0.033 0.000 2.079 283 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 283 Q C 2.219 178.265 176.000 0.077 0.000 0.974 283 Q CA 1.620 57.473 55.803 0.082 0.000 0.840 283 Q CB -0.016 28.844 28.738 0.204 0.000 0.898 283 Q HN 0.506 nan 8.270 nan 0.000 0.430 284 A N 0.029 122.887 122.820 0.063 0.000 2.172 284 A HA -0.043 4.277 4.320 0.001 0.000 0.216 284 A C 1.658 179.258 177.584 0.026 0.000 1.154 284 A CA 0.694 52.758 52.037 0.044 0.000 0.701 284 A CB -0.168 18.852 19.000 0.034 0.000 0.789 284 A HN 0.349 nan 8.150 nan 0.000 0.465 285 L N -1.850 119.386 121.223 0.021 0.000 2.766 285 L HA 0.288 4.628 4.340 0.001 0.000 0.242 285 L C 1.353 178.228 176.870 0.008 0.000 1.136 285 L CA 0.340 55.185 54.840 0.008 0.000 0.933 285 L CB 0.065 42.124 42.059 -0.000 0.000 1.241 285 L HN 0.470 nan 8.230 nan 0.000 0.522 286 G N 1.225 110.038 108.800 0.020 0.000 2.221 286 G HA2 -0.280 3.681 3.960 0.001 0.000 0.265 286 G HA3 -0.280 3.681 3.960 0.001 0.000 0.265 286 G C 0.488 175.398 174.900 0.017 0.000 1.041 286 G CA 0.280 45.393 45.100 0.022 0.000 0.807 286 G HN 0.364 nan 8.290 nan 0.000 0.502 287 L N -1.379 119.852 121.223 0.014 0.000 2.667 287 L HA 0.513 4.853 4.340 0.001 0.000 0.232 287 L C 1.073 177.947 176.870 0.007 0.000 1.138 287 L CA 0.034 54.879 54.840 0.008 0.000 0.921 287 L CB 0.456 42.514 42.059 -0.001 0.000 1.180 287 L HN 0.280 nan 8.230 nan 0.000 0.487 288 R N 0.063 120.568 120.500 0.009 0.000 2.858 288 R HA 0.576 4.917 4.340 0.001 0.000 0.252 288 R C -1.896 174.405 176.300 0.003 0.000 1.063 288 R CA -0.217 55.874 56.100 -0.015 0.000 0.955 288 R CB 1.321 31.582 30.300 -0.065 0.000 1.259 288 R HN -0.068 nan 8.270 nan 0.000 0.477 289 A N 3.337 126.157 122.820 -0.001 0.000 2.319 289 A HA 0.465 4.786 4.320 0.001 0.000 0.310 289 A C -0.082 177.522 177.584 0.033 0.000 1.152 289 A CA -0.582 51.489 52.037 0.056 0.000 0.783 289 A CB 0.329 19.378 19.000 0.082 0.000 1.184 289 A HN 0.707 nan 8.150 nan 0.000 0.474 290 F N 2.095 122.049 119.950 0.007 0.000 2.091 290 F HA 0.070 4.597 4.527 0.001 0.000 0.299 290 F C 1.583 177.382 175.800 -0.001 0.000 1.103 290 F CA 2.625 60.624 58.000 -0.002 0.000 1.228 290 F CB 0.214 39.212 39.000 -0.003 0.000 0.984 290 F HN 0.691 nan 8.300 nan 0.000 0.477 291 A N -1.821 121.118 122.820 0.199 0.000 2.606 291 A HA 0.595 4.915 4.320 0.001 0.000 0.293 291 A C -2.585 175.063 177.584 0.105 0.000 1.082 291 A CA -1.549 50.560 52.037 0.120 0.000 0.685 291 A CB 0.417 19.477 19.000 0.099 0.000 1.284 291 A HN -0.215 nan 8.150 nan 0.000 0.408 292 P HA 0.221 nan 4.420 nan 0.000 0.269 292 P C -0.576 176.792 177.300 0.115 0.000 1.205 292 P CA 0.387 63.566 63.100 0.133 0.000 0.780 292 P CB 0.381 32.186 31.700 0.175 0.000 0.858 293 E N -0.497 119.783 120.200 0.132 0.000 2.366 293 E HA 0.503 4.854 4.350 0.001 0.000 0.278 293 E C -1.779 174.893 176.600 0.119 0.000 0.923 293 E CA -0.987 55.477 56.400 0.105 0.000 0.761 293 E CB 1.413 31.168 29.700 0.092 0.000 1.231 293 E HN 0.014 nan 8.360 nan 0.000 0.443 294 V N 1.880 121.851 119.914 0.095 0.000 2.483 294 V HA 0.511 4.631 4.120 0.001 0.000 0.295 294 V C -0.280 175.863 176.094 0.081 0.000 1.035 294 V CA -0.459 61.903 62.300 0.103 0.000 0.896 294 V CB 1.673 33.550 31.823 0.090 0.000 0.986 294 V HN 0.813 nan 8.190 nan 0.000 0.447 295 T N 3.099 117.706 114.554 0.088 0.000 2.863 295 T HA 0.683 5.033 4.350 0.001 0.000 0.285 295 T C -0.377 174.372 174.700 0.082 0.000 1.009 295 T CA -0.578 61.568 62.100 0.075 0.000 0.989 295 T CB 1.656 70.570 68.868 0.076 0.000 1.004 295 T HN 0.923 nan 8.240 nan 0.000 0.455 296 S N 0.539 116.292 115.700 0.088 0.000 2.540 296 S HA 0.533 5.004 4.470 0.001 0.000 0.275 296 S C 0.447 175.142 174.600 0.160 0.000 1.123 296 S CA -1.124 57.163 58.200 0.146 0.000 0.907 296 S CB 0.232 63.535 63.200 0.172 0.000 1.081 296 S HN 1.200 nan 8.310 nan 0.000 0.476 297 C N 2.582 121.982 119.300 0.166 0.000 2.812 297 C HA 0.345 4.805 4.460 0.001 0.000 0.395 297 C C -0.548 174.577 174.990 0.226 0.000 1.256 297 C CA -0.118 58.975 59.018 0.125 0.000 1.962 297 C CB -0.484 27.252 27.740 -0.007 0.000 2.701 297 C HN 0.848 nan 8.230 nan 0.000 0.702 298 P HA 0.247 nan 4.420 nan 0.000 0.240 298 P C 0.681 178.110 177.300 0.215 0.000 1.190 298 P CA 1.574 64.762 63.100 0.147 0.000 0.781 298 P CB -0.316 31.429 31.700 0.076 0.000 0.931 299 G N 0.030 108.952 108.800 0.204 0.000 3.019 299 G HA2 -0.123 3.837 3.960 0.001 0.000 0.686 299 G HA3 -0.123 3.837 3.960 0.001 0.000 0.686 299 G C 0.426 175.362 174.900 0.059 0.000 1.056 299 G CA -0.516 44.684 45.100 0.167 0.000 0.774 299 G HN 0.409 nan 8.290 nan 0.000 0.583 300 C N 0.440 119.742 119.300 0.003 0.000 2.662 300 C HA 0.930 5.390 4.460 0.001 0.000 0.307 300 C C 2.080 177.076 174.990 0.010 0.000 1.796 300 C CA 1.292 60.313 59.018 0.005 0.000 2.153 300 C CB 0.562 28.294 27.740 -0.013 0.000 1.725 300 C HN 2.515 nan 8.230 nan 0.000 0.733 301 G N -0.353 108.445 108.800 -0.003 0.000 4.397 301 G HA2 0.124 4.084 3.960 0.001 0.000 0.149 301 G HA3 0.124 4.084 3.960 0.001 0.000 0.149 301 G C 1.197 176.092 174.900 -0.009 0.000 0.854 301 G CA -0.165 44.935 45.100 0.000 0.000 0.842 301 G HN 0.347 nan 8.290 nan 0.000 0.432 302 R N 0.292 120.776 120.500 -0.026 0.000 2.299 302 R HA 0.184 4.524 4.340 0.001 0.000 0.197 302 R C 0.237 176.513 176.300 -0.041 0.000 0.971 302 R CA 0.901 56.978 56.100 -0.037 0.000 1.030 302 R CB 0.316 30.582 30.300 -0.056 0.000 0.932 302 R HN 0.228 nan 8.270 nan 0.000 0.477 303 T N -1.371 113.166 114.554 -0.029 0.000 2.916 303 T HA 0.249 4.600 4.350 0.001 0.000 0.305 303 T C 0.283 175.013 174.700 0.049 0.000 1.119 303 T CA -0.479 61.621 62.100 0.000 0.000 1.008 303 T CB 2.188 71.035 68.868 -0.034 0.000 1.129 303 T HN -0.135 nan 8.240 nan 0.000 0.480 304 T N 1.548 116.140 114.554 0.062 0.000 2.971 304 T HA 0.246 4.596 4.350 0.001 0.000 0.252 304 T C 0.908 175.671 174.700 0.106 0.000 1.022 304 T CA -0.027 62.117 62.100 0.073 0.000 0.980 304 T CB 0.287 69.182 68.868 0.045 0.000 1.044 304 T HN 0.517 nan 8.240 nan 0.000 0.501 305 S N 1.319 117.096 115.700 0.129 0.000 2.549 305 S HA 0.116 4.586 4.470 0.001 0.000 0.286 305 S C 1.171 175.940 174.600 0.281 0.000 1.314 305 S CA 0.102 58.411 58.200 0.182 0.000 1.062 305 S CB 0.796 64.108 63.200 0.187 0.000 0.865 305 S HN 0.246 nan 8.310 nan 0.000 0.498 306 T N 4.420 119.094 114.554 0.199 0.000 3.054 306 T HA 0.154 4.504 4.350 0.001 0.000 0.255 306 T C 1.074 175.777 174.700 0.004 0.000 1.035 306 T CA -0.201 61.942 62.100 0.071 0.000 0.941 306 T CB -0.368 68.511 68.868 0.018 0.000 1.026 306 T HN 0.660 nan 8.240 nan 0.000 0.533 307 F N 1.994 121.959 119.950 0.024 0.000 2.134 307 F HA -0.065 4.462 4.527 0.001 0.000 0.299 307 F C 1.552 177.349 175.800 -0.006 0.000 1.097 307 F CA 1.619 59.625 58.000 0.009 0.000 1.264 307 F CB -0.514 38.516 39.000 0.051 0.000 1.001 307 F HN 0.387 nan 8.300 nan 0.000 0.479 308 F N 1.107 121.073 119.950 0.026 0.000 2.154 308 F HA -0.243 4.284 4.527 0.001 0.000 0.301 308 F C 2.072 177.777 175.800 -0.158 0.000 1.087 308 F CA 1.735 59.673 58.000 -0.103 0.000 1.274 308 F CB -1.631 37.358 39.000 -0.019 0.000 1.009 308 F HN 0.120 nan 8.300 nan 0.000 0.485 309 Q N 0.711 119.870 119.800 -1.069 0.000 2.084 309 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 309 Q C 2.103 177.868 176.000 -0.392 0.000 0.978 309 Q CA 2.128 57.495 55.803 -0.727 0.000 0.844 309 Q CB -0.410 27.903 28.738 -0.708 0.000 0.898 309 Q HN 0.701 nan 8.270 nan 0.000 0.426 310 E N 0.410 120.392 120.200 -0.362 0.000 2.216 310 E HA -0.140 4.211 4.350 0.001 0.000 0.192 310 E C 1.839 178.253 176.600 -0.310 0.000 0.988 310 E CA 0.475 56.710 56.400 -0.275 0.000 0.834 310 E CB -0.093 29.477 29.700 -0.217 0.000 0.772 310 E HN 0.159 nan 8.360 nan 0.000 0.479 311 L N 1.332 122.277 121.223 -0.463 0.000 2.093 311 L HA -0.041 4.300 4.340 0.001 0.000 0.208 311 L C 2.230 178.985 176.870 -0.192 0.000 1.085 311 L CA 1.811 56.413 54.840 -0.398 0.000 0.755 311 L CB -0.502 41.232 42.059 -0.542 0.000 0.904 311 L HN 0.076 nan 8.230 nan 0.000 0.435 312 A N -0.933 121.780 122.820 -0.179 0.000 1.897 312 A HA -0.162 4.158 4.320 0.001 0.000 0.215 312 A C 2.180 179.722 177.584 -0.070 0.000 1.181 312 A CA 1.446 53.432 52.037 -0.084 0.000 0.620 312 A CB -0.554 18.398 19.000 -0.080 0.000 0.821 312 A HN 0.549 nan 8.150 nan 0.000 0.443 313 E N -0.722 119.411 120.200 -0.112 0.000 2.077 313 E HA -0.236 4.115 4.350 0.001 0.000 0.193 313 E C 2.022 178.584 176.600 -0.063 0.000 0.989 313 E CA 1.469 57.818 56.400 -0.086 0.000 0.800 313 E CB -0.051 29.587 29.700 -0.104 0.000 0.746 313 E HN 0.721 nan 8.360 nan 0.000 0.452 314 E N 0.274 120.430 120.200 -0.072 0.000 2.158 314 E HA -0.097 4.253 4.350 0.001 0.000 0.191 314 E C 1.852 178.449 176.600 -0.006 0.000 0.982 314 E CA 0.510 56.885 56.400 -0.042 0.000 0.823 314 E CB 0.053 29.724 29.700 -0.049 0.000 0.766 314 E HN 0.009 nan 8.360 nan 0.000 0.468 315 V N 0.332 120.257 119.914 0.019 0.000 2.307 315 V HA -0.236 3.885 4.120 0.001 0.000 0.245 315 V C 2.432 178.554 176.094 0.047 0.000 1.045 315 V CA 1.957 64.308 62.300 0.085 0.000 1.024 315 V CB -0.636 31.301 31.823 0.189 0.000 0.651 315 V HN 0.489 nan 8.190 nan 0.000 0.449 316 S N -0.458 115.256 115.700 0.024 0.000 2.419 316 S HA -0.242 4.229 4.470 0.001 0.000 0.233 316 S C 2.144 176.727 174.600 -0.028 0.000 1.016 316 S CA 1.693 59.895 58.200 0.003 0.000 0.974 316 S CB -0.370 62.829 63.200 -0.002 0.000 0.786 316 S HN 0.547 nan 8.310 nan 0.000 0.492 317 R N -0.163 120.318 120.500 -0.031 0.000 2.161 317 R HA 0.173 4.513 4.340 0.001 0.000 0.213 317 R C 2.494 178.759 176.300 -0.057 0.000 1.055 317 R CA 0.759 56.833 56.100 -0.044 0.000 0.996 317 R CB -0.065 30.211 30.300 -0.039 0.000 0.901 317 R HN 0.366 nan 8.270 nan 0.000 0.456 318 R N -0.003 120.466 120.500 -0.051 0.000 2.100 318 R HA -0.015 4.326 4.340 0.001 0.000 0.220 318 R C 1.813 178.022 176.300 -0.150 0.000 1.091 318 R CA 0.868 56.925 56.100 -0.072 0.000 0.986 318 R CB -0.378 29.903 30.300 -0.031 0.000 0.888 318 R HN 0.080 nan 8.270 nan 0.000 0.444 319 L N 1.326 122.457 121.223 -0.153 0.000 1.994 319 L HA -0.121 4.219 4.340 0.001 0.000 0.208 319 L C 2.195 178.874 176.870 -0.319 0.000 1.071 319 L CA 1.802 56.468 54.840 -0.290 0.000 0.745 319 L CB -0.766 41.202 42.059 -0.151 0.000 0.892 319 L HN 0.130 nan 8.230 nan 0.000 0.431 320 K N 0.077 120.370 120.400 -0.178 0.000 2.228 320 K HA -0.227 4.093 4.320 0.001 0.000 0.205 320 K C 1.891 178.390 176.600 -0.168 0.000 1.045 320 K CA 1.491 57.692 56.287 -0.144 0.000 0.931 320 K CB -0.036 32.412 32.500 -0.088 0.000 0.727 320 K HN 0.501 nan 8.250 nan 0.000 0.458 321 E N -0.726 119.365 120.200 -0.183 0.000 2.285 321 E HA -0.047 4.304 4.350 0.001 0.000 0.194 321 E C 1.702 178.156 176.600 -0.244 0.000 0.997 321 E CA 0.320 56.619 56.400 -0.168 0.000 0.845 321 E CB 0.267 29.892 29.700 -0.125 0.000 0.782 321 E HN 0.136 nan 8.360 nan 0.000 0.491 322 R N -0.025 120.219 120.500 -0.428 0.000 2.308 322 R HA 0.071 4.411 4.340 0.001 0.000 0.202 322 R C 1.992 177.798 176.300 -0.824 0.000 0.898 322 R CA -0.012 55.682 56.100 -0.676 0.000 1.046 322 R CB 0.143 29.858 30.300 -0.976 0.000 1.026 322 R HN 0.129 nan 8.270 nan 0.000 0.512 323 L N 2.442 123.339 121.223 -0.543 0.000 2.005 323 L HA 0.015 4.355 4.340 0.001 0.000 0.207 323 L C -1.050 175.767 176.870 -0.088 0.000 1.072 323 L CA 1.906 56.596 54.840 -0.251 0.000 0.744 323 L CB -1.141 40.832 42.059 -0.143 0.000 0.895 323 L HN -0.063 nan 8.230 nan 0.000 0.433 324 P HA -0.203 nan 4.420 nan 0.000 0.217 324 P C 1.436 178.717 177.300 -0.033 0.000 1.151 324 P CA 1.626 64.696 63.100 -0.050 0.000 0.849 324 P CB -0.025 31.641 31.700 -0.058 0.000 0.787 325 E N -2.227 117.948 120.200 -0.043 0.000 2.076 325 E HA -0.112 4.239 4.350 0.001 0.000 0.190 325 E C 1.893 178.504 176.600 0.018 0.000 0.979 325 E CA 0.874 57.264 56.400 -0.016 0.000 0.807 325 E CB -0.440 29.259 29.700 -0.002 0.000 0.761 325 E HN 0.297 nan 8.360 nan 0.000 0.454 326 W N 1.804 122.986 121.300 -0.197 0.000 2.363 326 W HA -0.075 4.586 4.660 0.001 0.000 0.296 326 W C 2.264 178.691 176.519 -0.154 0.000 1.212 326 W CA 0.292 57.502 57.345 -0.225 0.000 1.260 326 W CB -0.786 28.684 29.460 0.016 0.000 1.131 326 W HN 0.036 nan 8.180 nan 0.000 0.530 327 R N 0.271 120.850 120.500 0.131 0.000 2.113 327 R HA -0.183 4.157 4.340 0.001 0.000 0.231 327 R C 2.203 178.506 176.300 0.006 0.000 1.129 327 R CA 2.124 58.255 56.100 0.051 0.000 0.915 327 R CB -1.543 28.773 30.300 0.025 0.000 0.837 327 R HN 0.163 nan 8.270 nan 0.000 0.430 328 A N 0.435 123.244 122.820 -0.017 0.000 2.125 328 A HA -0.138 4.182 4.320 0.001 0.000 0.219 328 A C 2.106 179.656 177.584 -0.058 0.000 1.156 328 A CA 1.431 53.450 52.037 -0.030 0.000 0.671 328 A CB -0.148 18.834 19.000 -0.029 0.000 0.794 328 A HN 0.184 nan 8.150 nan 0.000 0.459 329 R N -2.429 117.985 120.500 -0.143 0.000 2.164 329 R HA 0.213 4.554 4.340 0.001 0.000 0.198 329 R C -0.740 175.501 176.300 -0.098 0.000 1.028 329 R CA 0.599 56.546 56.100 -0.256 0.000 1.083 329 R CB 0.281 30.218 30.300 -0.605 0.000 1.026 329 R HN 0.424 nan 8.270 nan 0.000 0.514 330 Y N 1.712 122.021 120.300 0.014 0.000 2.464 330 Y HA 0.418 4.968 4.550 0.001 0.000 0.326 330 Y C -2.288 173.591 175.900 -0.035 0.000 0.969 330 Y CA -4.524 53.559 58.100 -0.028 0.000 1.270 330 Y CB 0.616 38.998 38.460 -0.129 0.000 1.103 330 Y HN -0.027 nan 8.280 nan 0.000 0.491 331 P HA 0.236 nan 4.420 nan 0.000 0.275 331 P C 0.918 178.213 177.300 -0.008 0.000 1.228 331 P CA 0.828 63.959 63.100 0.052 0.000 0.786 331 P CB 1.716 33.461 31.700 0.076 0.000 0.927 332 G N 1.487 110.198 108.800 -0.149 0.000 2.299 332 G HA2 -0.332 3.628 3.960 0.001 0.000 0.237 332 G HA3 -0.332 3.628 3.960 0.001 0.000 0.237 332 G C 0.972 175.240 174.900 -1.052 0.000 1.027 332 G CA 0.201 45.086 45.100 -0.358 0.000 0.619 332 G HN 0.496 nan 8.290 nan 0.000 0.513 333 V N 1.355 120.536 119.914 -1.222 0.000 2.867 333 V HA -0.007 4.113 4.120 0.001 0.000 0.260 333 V C 2.487 178.351 176.094 -0.385 0.000 1.099 333 V CA 3.003 64.623 62.300 -1.134 0.000 1.122 333 V CB -0.254 31.341 31.823 -0.381 0.000 0.708 333 V HN 0.582 nan 8.190 nan 0.000 0.490 334 E N 0.233 120.292 120.200 -0.235 0.000 2.208 334 E HA -0.229 4.122 4.350 0.001 0.000 0.202 334 E C 1.899 178.481 176.600 -0.030 0.000 1.014 334 E CA 1.665 58.022 56.400 -0.071 0.000 0.819 334 E CB -0.087 29.574 29.700 -0.066 0.000 0.735 334 E HN 0.629 nan 8.360 nan 0.000 0.469 335 E N -0.022 120.123 120.200 -0.093 0.000 2.465 335 E HA 0.016 4.366 4.350 0.001 0.000 0.191 335 E C 0.014 176.764 176.600 0.251 0.000 1.053 335 E CA -0.173 56.279 56.400 0.087 0.000 0.869 335 E CB -0.056 29.726 29.700 0.135 0.000 0.977 335 E HN 0.184 nan 8.360 nan 0.000 0.483 336 L N 2.332 123.651 121.223 0.160 0.000 2.477 336 L HA 0.016 4.356 4.340 0.001 0.000 0.272 336 L C -0.174 176.920 176.870 0.372 0.000 1.157 336 L CA 0.483 55.495 54.840 0.287 0.000 0.889 336 L CB 0.300 42.510 42.059 0.251 0.000 1.158 336 L HN -0.304 nan 8.230 nan 0.000 0.473 337 K N 5.450 126.189 120.400 0.564 0.000 2.339 337 K HA 0.485 4.805 4.320 0.001 0.000 0.264 337 K C -1.310 175.441 176.600 0.251 0.000 0.986 337 K CA -0.584 55.893 56.287 0.316 0.000 0.866 337 K CB 1.951 34.579 32.500 0.213 0.000 1.103 337 K HN 0.414 nan 8.250 nan 0.000 0.441 338 V N 1.938 121.973 119.914 0.203 0.000 2.495 338 V HA 0.530 4.651 4.120 0.001 0.000 0.298 338 V C -0.229 175.973 176.094 0.181 0.000 1.031 338 V CA -1.005 61.417 62.300 0.203 0.000 0.871 338 V CB 1.677 33.645 31.823 0.241 0.000 0.988 338 V HN 0.829 nan 8.190 nan 0.000 0.432 339 A N 4.578 127.501 122.820 0.172 0.000 2.317 339 A HA 0.872 5.193 4.320 0.001 0.000 0.327 339 A C -0.864 176.755 177.584 0.060 0.000 1.178 339 A CA -0.533 51.569 52.037 0.107 0.000 0.817 339 A CB 1.491 20.533 19.000 0.070 0.000 1.189 339 A HN 0.695 nan 8.150 nan 0.000 0.489 340 V N 4.432 124.371 119.914 0.041 0.000 2.482 340 V HA 0.440 4.560 4.120 0.001 0.000 0.295 340 V C -0.721 175.425 176.094 0.088 0.000 1.026 340 V CA -0.473 61.825 62.300 -0.003 0.000 0.856 340 V CB 1.427 33.248 31.823 -0.003 0.000 1.001 340 V HN 0.926 nan 8.190 nan 0.000 0.424 341 M N 2.619 122.222 119.600 0.005 0.000 2.578 341 M HA 0.507 4.988 4.480 0.001 0.000 0.321 341 M C 1.226 177.311 176.300 -0.358 0.000 1.182 341 M CA -0.600 54.635 55.300 -0.108 0.000 0.965 341 M CB 1.513 34.047 32.600 -0.110 0.000 1.694 341 M HN 0.599 nan 8.290 nan 0.000 0.461 342 G N 0.500 108.803 108.800 -0.828 0.000 2.880 342 G HA2 0.260 4.220 3.960 0.001 0.000 0.209 342 G HA3 0.260 4.220 3.960 0.001 0.000 0.209 342 G C 0.322 174.882 174.900 -0.566 0.000 1.157 342 G CA 0.329 44.579 45.100 -1.418 0.000 0.779 342 G HN 0.828 nan 8.290 nan 0.000 0.539 343 C N -2.862 116.245 119.300 -0.321 0.000 3.311 343 C HA 0.635 5.095 4.460 0.001 0.000 0.325 343 C C 1.081 176.008 174.990 -0.105 0.000 1.352 343 C CA -0.534 58.383 59.018 -0.168 0.000 1.308 343 C CB 1.287 28.942 27.740 -0.142 0.000 1.619 343 C HN -0.063 nan 8.230 nan 0.000 0.469 344 V N 1.299 121.178 119.914 -0.058 0.000 2.685 344 V HA -0.006 4.114 4.120 0.001 0.000 0.244 344 V C 2.234 178.315 176.094 -0.022 0.000 1.054 344 V CA 1.760 64.046 62.300 -0.023 0.000 1.076 344 V CB 0.258 32.084 31.823 0.005 0.000 0.725 344 V HN 0.909 nan 8.190 nan 0.000 0.467 345 V N 0.966 120.861 119.914 -0.031 0.000 2.759 345 V HA -0.116 4.005 4.120 0.001 0.000 0.256 345 V C 1.735 177.800 176.094 -0.047 0.000 1.080 345 V CA 2.197 64.480 62.300 -0.029 0.000 1.101 345 V CB -0.274 31.534 31.823 -0.025 0.000 0.698 345 V HN 0.625 nan 8.190 nan 0.000 0.477 346 N N -0.387 118.274 118.700 -0.065 0.000 2.317 346 N HA 0.177 4.917 4.740 0.001 0.000 0.199 346 N C 1.660 177.112 175.510 -0.097 0.000 1.145 346 N CA 0.880 53.885 53.050 -0.076 0.000 0.882 346 N CB -0.153 38.293 38.487 -0.069 0.000 1.113 346 N HN 0.418 nan 8.380 nan 0.000 0.486 347 G N 2.902 111.639 108.800 -0.105 0.000 2.631 347 G HA2 -0.245 3.716 3.960 0.001 0.000 0.219 347 G HA3 -0.245 3.716 3.960 0.001 0.000 0.219 347 G C -0.824 173.990 174.900 -0.143 0.000 1.214 347 G CA 1.146 46.178 45.100 -0.114 0.000 0.785 347 G HN 0.304 nan 8.290 nan 0.000 0.596 348 P HA -0.046 nan 4.420 nan 0.000 0.215 348 P C 2.153 179.268 177.300 -0.309 0.000 1.157 348 P CA 1.865 64.722 63.100 -0.405 0.000 0.868 348 P CB -0.574 30.718 31.700 -0.680 0.000 0.788 349 G N -0.056 108.616 108.800 -0.213 0.000 2.450 349 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 349 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 349 G C 1.284 176.118 174.900 -0.110 0.000 1.130 349 G CA 0.621 45.631 45.100 -0.151 0.000 0.760 349 G HN 0.330 nan 8.290 nan 0.000 0.557 350 E N 0.050 120.193 120.200 -0.094 0.000 2.489 350 E HA 0.069 4.419 4.350 0.001 0.000 0.193 350 E C 1.225 177.802 176.600 -0.037 0.000 1.057 350 E CA 0.425 56.794 56.400 -0.051 0.000 0.866 350 E CB 0.291 29.961 29.700 -0.050 0.000 0.916 350 E HN 0.519 nan 8.360 nan 0.000 0.500 351 S N -0.582 115.071 115.700 -0.078 0.000 2.843 351 S HA 0.253 4.723 4.470 0.001 0.000 0.249 351 S C 0.870 175.415 174.600 -0.092 0.000 1.047 351 S CA -0.607 57.561 58.200 -0.054 0.000 1.042 351 S CB 0.360 63.531 63.200 -0.048 0.000 0.936 351 S HN 0.003 nan 8.310 nan 0.000 0.531 352 K N 1.140 121.447 120.400 -0.156 0.000 2.280 352 K HA -0.011 4.309 4.320 0.001 0.000 0.202 352 K C 0.867 177.253 176.600 -0.356 0.000 1.047 352 K CA 1.027 57.139 56.287 -0.292 0.000 0.942 352 K CB -0.159 32.094 32.500 -0.411 0.000 0.739 352 K HN 0.577 nan 8.250 nan 0.000 0.457 353 H N -0.727 118.311 119.070 -0.053 0.000 2.517 353 H HA 0.247 4.804 4.556 0.001 0.000 0.282 353 H C -0.023 175.247 175.328 -0.096 0.000 1.023 353 H CA -0.139 55.869 56.048 -0.067 0.000 1.169 353 H CB 0.317 30.050 29.762 -0.048 0.000 1.454 353 H HN 0.054 nan 8.280 nan 0.000 0.556 354 A N 1.119 123.938 122.820 -0.001 0.000 2.328 354 A HA 0.142 4.462 4.320 0.001 0.000 0.284 354 A C 0.917 178.470 177.584 -0.051 0.000 1.160 354 A CA -0.436 51.602 52.037 0.002 0.000 0.818 354 A CB 0.527 19.553 19.000 0.045 0.000 1.087 354 A HN 0.381 nan 8.150 nan 0.000 0.504 355 H N 1.594 120.680 119.070 0.027 0.000 2.289 355 H HA -0.111 4.445 4.556 0.001 0.000 0.296 355 H C 0.304 175.416 175.328 -0.361 0.000 1.091 355 H CA 2.383 58.382 56.048 -0.082 0.000 1.274 355 H CB 0.137 29.881 29.762 -0.029 0.000 1.364 355 H HN 0.614 nan 8.280 nan 0.000 0.490 356 I N 0.132 120.592 120.570 -0.183 0.000 2.533 356 I HA 0.493 4.663 4.170 0.001 0.000 0.290 356 I C -0.498 175.697 176.117 0.131 0.000 1.056 356 I CA -0.509 60.691 61.300 -0.167 0.000 1.057 356 I CB 2.056 39.802 38.000 -0.423 0.000 1.240 356 I HN 0.122 nan 8.210 nan 0.000 0.423 357 G N 7.379 116.312 108.800 0.221 0.000 2.638 357 G HA2 0.678 4.638 3.960 0.001 0.000 0.302 357 G HA3 0.678 4.638 3.960 0.001 0.000 0.302 357 G C -2.011 173.029 174.900 0.233 0.000 1.365 357 G CA -0.501 44.735 45.100 0.226 0.000 0.987 357 G HN 0.656 nan 8.290 nan 0.000 0.495 358 I N 0.272 120.842 120.570 -0.000 0.000 2.730 358 I HA 0.713 4.884 4.170 0.001 0.000 0.298 358 I C -0.817 175.242 176.117 -0.096 0.000 1.089 358 I CA -0.778 60.440 61.300 -0.137 0.000 1.041 358 I CB 2.348 39.982 38.000 -0.610 0.000 1.235 358 I HN 0.408 nan 8.210 nan 0.000 0.423 359 S N 6.704 122.386 115.700 -0.029 0.000 2.756 359 S HA 0.552 5.022 4.470 0.001 0.000 0.303 359 S C -0.743 173.853 174.600 -0.007 0.000 1.135 359 S CA -0.474 57.712 58.200 -0.024 0.000 1.066 359 S CB 1.192 64.397 63.200 0.009 0.000 1.008 359 S HN 0.389 nan 8.310 nan 0.000 0.482 360 L N 4.456 125.676 121.223 -0.004 0.000 2.371 360 L HA 0.415 4.755 4.340 0.001 0.000 0.272 360 L C -2.216 174.662 176.870 0.012 0.000 1.124 360 L CA -1.982 52.895 54.840 0.061 0.000 0.816 360 L CB 0.153 42.334 42.059 0.204 0.000 1.129 360 L HN 0.319 nan 8.230 nan 0.000 0.448 361 P HA 0.027 nan 4.420 nan 0.000 0.263 361 P C -0.002 177.293 177.300 -0.007 0.000 1.195 361 P CA 0.189 63.289 63.100 0.000 0.000 0.762 361 P CB 0.635 32.335 31.700 -0.000 0.000 0.799 362 G N 2.350 111.132 108.800 -0.030 0.000 2.773 362 G HA2 0.540 4.500 3.960 0.001 0.000 0.186 362 G HA3 0.540 4.500 3.960 0.001 0.000 0.186 362 G C -0.584 174.307 174.900 -0.015 0.000 1.411 362 G CA -0.429 44.652 45.100 -0.031 0.000 1.054 362 G HN 0.589 nan 8.290 nan 0.000 0.579 363 A N -1.643 121.168 122.820 -0.015 0.000 2.477 363 A HA 0.508 4.829 4.320 0.001 0.000 0.246 363 A C 1.509 179.086 177.584 -0.011 0.000 1.078 363 A CA 1.174 53.206 52.037 -0.008 0.000 0.770 363 A CB -0.370 18.626 19.000 -0.006 0.000 1.011 363 A HN 2.454 nan 8.150 nan 0.000 0.494 364 G N 1.453 110.248 108.800 -0.008 0.000 2.212 364 G HA2 -0.229 3.732 3.960 0.001 0.000 0.266 364 G HA3 -0.229 3.732 3.960 0.001 0.000 0.266 364 G C 0.050 174.945 174.900 -0.008 0.000 0.978 364 G CA 0.706 45.801 45.100 -0.008 0.000 0.632 364 G HN 0.889 nan 8.290 nan 0.000 0.537 365 E N 0.788 120.982 120.200 -0.010 0.000 2.277 365 E HA 0.478 4.828 4.350 0.001 0.000 0.274 365 E C 0.067 176.663 176.600 -0.008 0.000 1.022 365 E CA -0.688 55.707 56.400 -0.008 0.000 0.853 365 E CB 1.128 30.822 29.700 -0.010 0.000 1.086 365 E HN 0.467 nan 8.360 nan 0.000 0.397 366 E N 2.993 123.190 120.200 -0.005 0.000 2.442 366 E HA -0.041 4.309 4.350 0.001 0.000 0.262 366 E C -1.739 174.857 176.600 -0.007 0.000 1.004 366 E CA -1.074 55.323 56.400 -0.005 0.000 0.928 366 E CB 0.386 30.085 29.700 -0.002 0.000 0.937 366 E HN 0.267 nan 8.360 nan 0.000 0.446 367 P HA -0.055 nan 4.420 nan 0.000 0.277 367 P C -1.109 176.185 177.300 -0.009 0.000 1.617 367 P CA 0.801 63.889 63.100 -0.020 0.000 0.829 367 P CB -0.031 31.652 31.700 -0.027 0.000 1.774 368 K N 0.476 120.878 120.400 0.002 0.000 2.371 368 K HA 0.723 5.043 4.320 0.001 0.000 0.251 368 K C -0.721 175.893 176.600 0.023 0.000 0.934 368 K CA -0.980 55.315 56.287 0.013 0.000 0.798 368 K CB 3.097 35.604 32.500 0.011 0.000 1.204 368 K HN -0.079 nan 8.250 nan 0.000 0.427 369 A N 3.467 126.308 122.820 0.034 0.000 2.375 369 A HA 0.497 4.817 4.320 0.001 0.000 0.291 369 A C -2.657 174.957 177.584 0.049 0.000 1.160 369 A CA -1.657 50.406 52.037 0.043 0.000 0.747 369 A CB 0.824 19.855 19.000 0.051 0.000 1.170 369 A HN 0.299 nan 8.150 nan 0.000 0.458 370 P HA 0.354 nan 4.420 nan 0.000 0.280 370 P C -0.389 176.970 177.300 0.098 0.000 1.244 370 P CA -0.108 63.022 63.100 0.049 0.000 0.784 370 P CB 1.277 33.035 31.700 0.098 0.000 0.913 371 V N 4.656 124.599 119.914 0.049 0.000 2.472 371 V HA 0.318 4.438 4.120 0.001 0.000 0.290 371 V C -0.379 175.725 176.094 0.017 0.000 1.037 371 V CA -0.264 62.123 62.300 0.146 0.000 0.908 371 V CB 0.371 32.333 31.823 0.231 0.000 0.985 371 V HN 0.420 nan 8.190 nan 0.000 0.454 372 Y N 1.884 122.234 120.300 0.082 0.000 2.446 372 Y HA 0.726 5.276 4.550 0.001 0.000 0.345 372 Y C 0.239 176.159 175.900 0.033 0.000 0.984 372 Y CA -0.731 57.397 58.100 0.047 0.000 1.058 372 Y CB 2.280 40.753 38.460 0.021 0.000 1.220 372 Y HN 0.648 nan 8.280 nan 0.000 0.455 373 A N 2.987 125.915 122.820 0.181 0.000 2.815 373 A HA 0.504 4.825 4.320 0.001 0.000 0.318 373 A C -0.046 177.636 177.584 0.163 0.000 1.186 373 A CA -0.387 51.728 52.037 0.129 0.000 0.754 373 A CB -0.035 19.059 19.000 0.158 0.000 1.151 373 A HN 0.936 nan 8.150 nan 0.000 0.452 374 D N 0.818 121.300 120.400 0.136 0.000 4.241 374 D HA -0.239 4.402 4.640 0.001 0.000 0.223 374 D C 0.935 177.331 176.300 0.161 0.000 1.238 374 D CA 2.424 56.488 54.000 0.106 0.000 2.331 374 D CB -1.473 39.382 40.800 0.091 0.000 1.209 374 D HN 1.176 nan 8.370 nan 0.000 0.407 375 G N 0.665 109.567 108.800 0.169 0.000 2.601 375 G HA2 0.483 4.444 3.960 0.001 0.000 0.317 375 G HA3 0.483 4.444 3.960 0.001 0.000 0.317 375 G C -0.557 174.392 174.900 0.081 0.000 1.246 375 G CA -0.067 45.141 45.100 0.180 0.000 1.012 375 G HN 0.333 nan 8.290 nan 0.000 0.494 376 K N -0.354 119.960 120.400 -0.142 0.000 2.436 376 K HA 0.153 4.473 4.320 0.001 0.000 0.282 376 K C 0.589 177.026 176.600 -0.273 0.000 1.044 376 K CA -0.183 55.765 56.287 -0.566 0.000 1.028 376 K CB 0.876 33.138 32.500 -0.398 0.000 0.919 376 K HN 0.282 nan 8.250 nan 0.000 0.474 377 L N 4.758 125.818 121.223 -0.271 0.000 2.379 377 L HA 0.458 4.798 4.340 0.001 0.000 0.190 377 L C -0.484 176.337 176.870 -0.081 0.000 1.111 377 L CA 0.984 55.761 54.840 -0.105 0.000 0.820 377 L CB -0.280 41.760 42.059 -0.032 0.000 1.046 377 L HN 0.763 nan 8.230 nan 0.000 0.485 378 L N -2.243 118.931 121.223 -0.081 0.000 2.669 378 L HA 0.535 4.875 4.340 0.001 0.000 0.255 378 L C -1.045 175.796 176.870 -0.048 0.000 1.123 378 L CA -0.245 54.566 54.840 -0.048 0.000 0.941 378 L CB 1.838 43.895 42.059 -0.004 0.000 1.552 378 L HN -0.051 nan 8.230 nan 0.000 0.394 379 T N 2.377 116.920 114.554 -0.017 0.000 2.934 379 T HA 0.523 4.873 4.350 0.001 0.000 0.328 379 T C -0.457 174.257 174.700 0.023 0.000 1.068 379 T CA -0.143 61.955 62.100 -0.003 0.000 1.018 379 T CB 0.035 68.898 68.868 -0.008 0.000 1.009 379 T HN 0.491 nan 8.240 nan 0.000 0.471 380 I N 1.116 121.714 120.570 0.047 0.000 2.322 380 I HA 0.469 4.639 4.170 0.001 0.000 0.292 380 I C -0.520 175.628 176.117 0.052 0.000 1.060 380 I CA -0.898 60.439 61.300 0.062 0.000 1.309 380 I CB 0.322 38.381 38.000 0.099 0.000 1.415 380 I HN 0.234 nan 8.210 nan 0.000 0.492 381 L N 7.493 128.739 121.223 0.039 0.000 2.530 381 L HA 0.091 4.431 4.340 0.001 0.000 0.273 381 L C 1.285 178.170 176.870 0.024 0.000 1.141 381 L CA 0.528 55.383 54.840 0.025 0.000 0.905 381 L CB -0.091 41.979 42.059 0.018 0.000 1.202 381 L HN 0.575 nan 8.230 nan 0.000 0.473 382 K N 3.251 123.658 120.400 0.012 0.000 3.603 382 K HA -0.121 4.199 4.320 0.001 0.000 0.234 382 K C 0.702 177.295 176.600 -0.011 0.000 0.454 382 K CA 0.243 56.525 56.287 -0.008 0.000 0.854 382 K CB -0.825 31.645 32.500 -0.050 0.000 0.803 382 K HN 0.850 nan 8.250 nan 0.000 0.378 383 G N 0.968 109.777 108.800 0.015 0.000 2.527 383 G HA2 -0.038 3.923 3.960 0.001 0.000 0.248 383 G HA3 -0.038 3.923 3.960 0.001 0.000 0.248 383 G C 0.860 175.780 174.900 0.033 0.000 1.231 383 G CA -0.505 44.606 45.100 0.019 0.000 0.838 383 G HN 0.492 nan 8.290 nan 0.000 0.570 384 E N 0.789 121.006 120.200 0.029 0.000 2.333 384 E HA -0.124 4.226 4.350 0.001 0.000 0.200 384 E C 2.120 178.775 176.600 0.091 0.000 1.010 384 E CA 1.041 57.473 56.400 0.053 0.000 0.841 384 E CB -0.269 29.457 29.700 0.043 0.000 0.757 384 E HN 0.496 nan 8.360 nan 0.000 0.508 385 G N 1.711 110.558 108.800 0.079 0.000 2.462 385 G HA2 -0.258 3.702 3.960 0.001 0.000 0.220 385 G HA3 -0.258 3.702 3.960 0.001 0.000 0.220 385 G C 1.482 176.457 174.900 0.126 0.000 1.121 385 G CA 1.005 46.160 45.100 0.091 0.000 0.758 385 G HN 0.288 nan 8.290 nan 0.000 0.559 386 I N 1.405 122.063 120.570 0.147 0.000 2.132 386 I HA -0.425 3.745 4.170 0.001 0.000 0.238 386 I C 3.295 179.539 176.117 0.212 0.000 1.012 386 I CA 1.694 63.104 61.300 0.185 0.000 1.288 386 I CB -0.514 37.619 38.000 0.223 0.000 0.997 386 I HN 0.314 nan 8.210 nan 0.000 0.402 387 A N 0.018 122.961 122.820 0.206 0.000 1.869 387 A HA -0.317 4.004 4.320 0.001 0.000 0.218 387 A C 2.120 179.817 177.584 0.189 0.000 1.203 387 A CA 2.434 54.578 52.037 0.179 0.000 0.638 387 A CB -0.743 18.328 19.000 0.119 0.000 0.831 387 A HN 0.448 nan 8.150 nan 0.000 0.450 388 E N -0.246 120.040 120.200 0.142 0.000 2.051 388 E HA -0.150 4.201 4.350 0.001 0.000 0.192 388 E C 2.010 178.681 176.600 0.119 0.000 0.991 388 E CA 1.625 58.093 56.400 0.113 0.000 0.799 388 E CB -0.351 29.401 29.700 0.087 0.000 0.748 388 E HN 0.774 nan 8.360 nan 0.000 0.449 389 E N -0.692 119.590 120.200 0.136 0.000 2.051 389 E HA -0.174 4.177 4.350 0.001 0.000 0.192 389 E C 1.860 178.557 176.600 0.163 0.000 0.991 389 E CA 0.998 57.476 56.400 0.129 0.000 0.799 389 E CB -0.258 29.517 29.700 0.124 0.000 0.748 389 E HN 0.217 nan 8.360 nan 0.000 0.449 390 F N 1.249 121.240 119.950 0.070 0.000 2.075 390 F HA -0.182 4.345 4.527 0.001 0.000 0.297 390 F C 2.084 177.931 175.800 0.079 0.000 1.113 390 F CA 1.093 59.136 58.000 0.071 0.000 1.218 390 F CB -0.436 38.608 39.000 0.072 0.000 0.984 390 F HN -0.042 nan 8.300 nan 0.000 0.472 391 L N 0.416 121.661 121.223 0.037 0.000 2.081 391 L HA -0.235 4.105 4.340 0.001 0.000 0.212 391 L C 2.493 179.326 176.870 -0.062 0.000 1.080 391 L CA 1.557 56.360 54.840 -0.062 0.000 0.754 391 L CB -0.562 41.545 42.059 0.081 0.000 0.893 391 L HN 0.000 nan 8.230 nan 0.000 0.433 392 R N -0.697 119.799 120.500 -0.006 0.000 2.073 392 R HA -0.094 4.246 4.340 0.001 0.000 0.234 392 R C 2.161 178.447 176.300 -0.024 0.000 1.134 392 R CA 1.547 57.654 56.100 0.013 0.000 0.952 392 R CB -0.854 29.468 30.300 0.036 0.000 0.850 392 R HN 0.331 nan 8.270 nan 0.000 0.433 393 L N -0.213 120.969 121.223 -0.070 0.000 2.127 393 L HA -0.179 4.162 4.340 0.001 0.000 0.211 393 L C 2.118 178.924 176.870 -0.108 0.000 1.089 393 L CA 0.857 55.654 54.840 -0.071 0.000 0.757 393 L CB -0.432 41.599 42.059 -0.045 0.000 0.899 393 L HN 0.039 nan 8.230 nan 0.000 0.434 394 V N -0.532 119.236 119.914 -0.244 0.000 2.270 394 V HA -0.242 3.878 4.120 0.001 0.000 0.245 394 V C 2.504 178.624 176.094 0.042 0.000 1.043 394 V CA 1.640 63.847 62.300 -0.155 0.000 1.014 394 V CB -0.417 31.266 31.823 -0.233 0.000 0.645 394 V HN 0.419 nan 8.190 nan 0.000 0.447 395 E N -0.101 120.146 120.200 0.078 0.000 2.049 395 E HA -0.279 4.071 4.350 0.001 0.000 0.198 395 E C 2.065 178.655 176.600 -0.017 0.000 1.007 395 E CA 1.686 58.143 56.400 0.095 0.000 0.809 395 E CB -0.449 29.351 29.700 0.167 0.000 0.749 395 E HN 0.564 nan 8.360 nan 0.000 0.450 396 D N -0.079 120.319 120.400 -0.003 0.000 2.157 396 D HA -0.209 4.431 4.640 0.001 0.000 0.191 396 D C 1.815 178.081 176.300 -0.057 0.000 1.004 396 D CA 1.159 55.142 54.000 -0.029 0.000 0.854 396 D CB -0.485 40.314 40.800 -0.002 0.000 0.936 396 D HN 0.244 nan 8.370 nan 0.000 0.446 397 Y N 1.158 121.377 120.300 -0.135 0.000 2.114 397 Y HA -0.246 4.304 4.550 0.001 0.000 0.284 397 Y C 2.364 178.115 175.900 -0.249 0.000 1.143 397 Y CA 1.419 59.425 58.100 -0.156 0.000 1.135 397 Y CB -0.380 38.017 38.460 -0.106 0.000 0.980 397 Y HN -0.177 nan 8.280 nan 0.000 0.499 398 V N 1.062 120.901 119.914 -0.125 0.000 2.255 398 V HA -0.334 3.786 4.120 0.001 0.000 0.247 398 V C 2.489 178.189 176.094 -0.656 0.000 1.051 398 V CA 2.336 64.402 62.300 -0.390 0.000 1.018 398 V CB -0.777 30.607 31.823 -0.732 0.000 0.641 398 V HN 0.319 nan 8.190 nan 0.000 0.445 399 K N -0.094 119.913 120.400 -0.655 0.000 2.152 399 K HA -0.187 4.133 4.320 0.001 0.000 0.206 399 K C 2.129 178.438 176.600 -0.485 0.000 1.048 399 K CA 2.065 57.941 56.287 -0.684 0.000 0.933 399 K CB -0.389 31.876 32.500 -0.391 0.000 0.721 399 K HN 0.572 nan 8.250 nan 0.000 0.447 400 T N 0.912 115.210 114.554 -0.427 0.000 2.770 400 T HA -0.023 4.327 4.350 0.001 0.000 0.263 400 T C 1.945 176.352 174.700 -0.489 0.000 1.039 400 T CA 0.644 62.507 62.100 -0.395 0.000 1.142 400 T CB 0.051 68.706 68.868 -0.355 0.000 0.868 400 T HN 0.152 nan 8.240 nan 0.000 0.435 401 R N 0.279 120.354 120.500 -0.709 0.000 2.060 401 R HA 0.181 4.521 4.340 0.001 0.000 0.225 401 R C 0.928 176.805 176.300 -0.705 0.000 1.155 401 R CA 0.903 56.501 56.100 -0.837 0.000 0.930 401 R CB -0.939 28.611 30.300 -1.249 0.000 0.829 401 R HN 0.326 nan 8.270 nan 0.000 0.433 402 F N -0.603 119.121 119.950 -0.377 0.000 2.291 402 F HA 0.463 4.990 4.527 0.001 0.000 0.305 402 F C 1.036 176.658 175.800 -0.297 0.000 1.171 402 F CA 0.134 57.972 58.000 -0.269 0.000 1.090 402 F CB 0.108 38.981 39.000 -0.212 0.000 1.436 402 F HN 0.445 nan 8.300 nan 0.000 0.509 403 A N -1.097 121.793 122.820 0.117 0.000 5.989 403 A HA 0.055 4.375 4.320 0.001 0.000 0.250 403 A C -2.782 174.849 177.584 0.077 0.000 2.428 403 A CA -1.236 50.870 52.037 0.115 0.000 0.665 403 A CB -2.640 16.345 19.000 -0.025 0.000 1.138 403 A HN 0.468 nan 8.150 nan 0.000 0.344 404 P HA 0.281 nan 4.420 nan 0.000 0.264 404 P C -0.131 177.167 177.300 -0.003 0.000 1.179 404 P CA 0.428 63.546 63.100 0.031 0.000 0.763 404 P CB 0.195 31.909 31.700 0.025 0.000 0.806 405 K N 2.766 123.165 120.400 -0.002 0.000 2.476 405 K HA 0.063 4.383 4.320 0.001 0.000 0.273 405 K C 0.577 177.146 176.600 -0.053 0.000 1.056 405 K CA 0.557 56.834 56.287 -0.017 0.000 1.150 405 K CB -0.653 31.841 32.500 -0.010 0.000 0.838 405 K HN 0.573 nan 8.250 nan 0.000 0.486 406 A N 0.000 122.770 122.820 -0.083 0.000 2.254 406 A HA 0.000 4.320 4.320 0.001 0.000 0.244 406 A CA 0.000 51.953 52.037 -0.140 0.000 0.836 406 A CB 0.000 18.894 19.000 -0.176 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486