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 2h12_1_F DATA FIRST_RESID 11 DATA SEQUENCE STATISVDGK SAEMPVLSGT LGPDVIDIRK LPAQLGVFTF DPGYGETAAC DATA SEQUENCE NSKITFIDGD KGVLLHRGYP IAQLAENASY EEVIYLLLNG ELPNKAQYDT DATA SEQUENCE FTNTLTNHTL LHEQIRNFFN GFRRDAHPMA ILCGTVGALS AFYPDXXXXX DATA SEQUENCE XPANRDLAAM RLIAKIPTIA AWAYKYTQGE AFIYPRNDLN YAENFLSMMF DATA SEQUENCE ARMSEPYKVN PVLARAMNRI LILHADHEQN ASTSTVRLAG STGANPFACI DATA SEQUENCE AAGIAALWGP AHGGANEAVL KMLARIGKKE NIPAFIAQVK DKNSGVKLMG DATA SEQUENCE FGHRVYKNFD PRAKIMQQTC HEVLTELGIK DDPLLDLAVE LEKIALSDDY DATA SEQUENCE FVQRKLYPNV DFYSGIILKA MGIPTSMFTV LFAVARTTGW VSQWKEMIEE DATA SEQUENCE PGQRISRPRQ LYIGAPQRDY VPLAKR 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.601 174.600 0.002 0.000 1.055 11 S CA 0.000 58.200 58.200 0.000 0.000 1.107 11 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 12 T N 1.378 115.934 114.554 0.003 0.000 2.907 12 T HA 0.951 5.301 4.350 -0.001 0.000 0.290 12 T C -0.184 174.520 174.700 0.007 0.000 1.066 12 T CA -0.384 61.719 62.100 0.005 0.000 1.012 12 T CB 1.632 70.503 68.868 0.005 0.000 1.184 12 T HN 1.285 nan 8.240 nan 0.000 0.522 13 A N 0.644 123.469 122.820 0.009 0.000 2.384 13 A HA 0.826 5.146 4.320 -0.001 0.000 0.312 13 A C -0.206 177.385 177.584 0.011 0.000 1.113 13 A CA -0.888 51.156 52.037 0.010 0.000 0.779 13 A CB 1.452 20.460 19.000 0.013 0.000 1.307 13 A HN 0.903 nan 8.150 nan 0.000 0.436 14 T N 1.500 116.060 114.554 0.010 0.000 2.824 14 T HA 0.592 4.942 4.350 -0.001 0.000 0.282 14 T C -0.581 174.126 174.700 0.011 0.000 0.993 14 T CA 0.056 62.162 62.100 0.010 0.000 0.967 14 T CB 0.539 69.411 68.868 0.007 0.000 0.960 14 T HN 0.429 nan 8.240 nan 0.000 0.441 15 I N 3.124 123.701 120.570 0.012 0.000 2.433 15 I HA 0.507 4.677 4.170 -0.001 0.000 0.292 15 I C -0.001 176.121 176.117 0.008 0.000 1.001 15 I CA -0.720 60.588 61.300 0.013 0.000 1.119 15 I CB 1.920 39.931 38.000 0.019 0.000 1.289 15 I HN 0.664 nan 8.210 nan 0.000 0.438 16 S N 5.601 121.305 115.700 0.006 0.000 2.538 16 S HA 0.834 5.303 4.470 -0.001 0.000 0.288 16 S C -0.954 173.646 174.600 -0.000 0.000 1.108 16 S CA -0.772 57.429 58.200 0.002 0.000 0.971 16 S CB 2.272 65.473 63.200 0.001 0.000 1.041 16 S HN 0.493 nan 8.310 nan 0.000 0.483 17 V N 1.751 121.662 119.914 -0.005 0.000 3.000 17 V HA 0.479 4.598 4.120 -0.001 0.000 0.300 17 V C -0.729 175.356 176.094 -0.014 0.000 1.251 17 V CA -0.288 62.006 62.300 -0.009 0.000 0.972 17 V CB 1.682 33.498 31.823 -0.011 0.000 1.065 17 V HN 1.106 nan 8.190 nan 0.000 0.431 18 D N 3.658 124.049 120.400 -0.016 0.000 2.792 18 D HA -0.172 4.468 4.640 -0.001 0.000 0.192 18 D C 0.925 177.217 176.300 -0.014 0.000 1.007 18 D CA 2.143 56.133 54.000 -0.017 0.000 1.020 18 D CB -0.960 39.827 40.800 -0.022 0.000 1.089 18 D HN 2.112 nan 8.370 nan 0.000 0.438 19 G N 0.932 109.725 108.800 -0.011 0.000 2.173 19 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.174 19 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.174 19 G C -0.113 174.782 174.900 -0.008 0.000 1.025 19 G CA 0.532 45.627 45.100 -0.009 0.000 0.706 19 G HN 0.458 nan 8.290 nan 0.000 0.499 20 K N 0.181 120.576 120.400 -0.008 0.000 2.501 20 K HA 0.672 4.992 4.320 -0.001 0.000 0.252 20 K C -0.553 176.044 176.600 -0.005 0.000 0.934 20 K CA -0.494 55.789 56.287 -0.007 0.000 0.797 20 K CB 1.505 33.999 32.500 -0.010 0.000 1.270 20 K HN 0.117 nan 8.250 nan 0.000 0.431 21 S N 0.881 116.579 115.700 -0.003 0.000 2.607 21 S HA 0.906 5.375 4.470 -0.001 0.000 0.303 21 S C -1.444 173.156 174.600 0.001 0.000 1.086 21 S CA -0.774 57.426 58.200 -0.000 0.000 0.995 21 S CB 1.819 65.020 63.200 0.001 0.000 1.084 21 S HN 0.714 nan 8.310 nan 0.000 0.507 22 A N 1.492 124.315 122.820 0.004 0.000 2.566 22 A HA 0.679 4.999 4.320 -0.001 0.000 0.297 22 A C -1.515 176.074 177.584 0.008 0.000 1.059 22 A CA -0.799 51.241 52.037 0.005 0.000 0.691 22 A CB 1.089 20.093 19.000 0.006 0.000 1.282 22 A HN 0.566 nan 8.150 nan 0.000 0.401 23 E N 1.971 122.175 120.200 0.008 0.000 2.249 23 E HA 0.539 4.889 4.350 -0.001 0.000 0.280 23 E C -0.583 176.023 176.600 0.011 0.000 1.016 23 E CA -0.301 56.104 56.400 0.008 0.000 0.830 23 E CB 1.254 30.957 29.700 0.006 0.000 1.081 23 E HN 0.579 nan 8.360 nan 0.000 0.395 24 M N 2.819 122.426 119.600 0.012 0.000 2.456 24 M HA 0.422 4.902 4.480 -0.001 0.000 0.324 24 M C -2.424 173.883 176.300 0.012 0.000 1.124 24 M CA -2.670 52.639 55.300 0.015 0.000 0.959 24 M CB 1.311 33.923 32.600 0.019 0.000 1.692 24 M HN -0.075 nan 8.290 nan 0.000 0.444 25 P HA 0.210 nan 4.420 nan 0.000 0.271 25 P C -0.713 176.593 177.300 0.009 0.000 1.218 25 P CA -0.315 62.789 63.100 0.008 0.000 0.780 25 P CB 0.584 32.288 31.700 0.007 0.000 0.901 26 V N 4.160 124.077 119.914 0.006 0.000 2.409 26 V HA 0.343 4.462 4.120 -0.001 0.000 0.291 26 V C 0.145 176.241 176.094 0.003 0.000 1.020 26 V CA -0.453 61.851 62.300 0.006 0.000 0.848 26 V CB 1.048 32.874 31.823 0.006 0.000 0.990 26 V HN 0.333 nan 8.190 nan 0.000 0.430 27 L N 3.756 124.981 121.223 0.004 0.000 2.331 27 L HA 0.752 5.091 4.340 -0.001 0.000 0.275 27 L C 0.204 177.073 176.870 -0.001 0.000 1.022 27 L CA -0.314 54.526 54.840 -0.000 0.000 0.812 27 L CB 2.034 44.093 42.059 -0.000 0.000 1.257 27 L HN 0.690 nan 8.230 nan 0.000 0.435 28 S N 0.657 116.352 115.700 -0.008 0.000 2.532 28 S HA 0.828 5.297 4.470 -0.001 0.000 0.301 28 S C -0.235 174.353 174.600 -0.020 0.000 1.083 28 S CA -0.301 57.892 58.200 -0.012 0.000 1.025 28 S CB 1.854 65.044 63.200 -0.017 0.000 1.056 28 S HN 0.757 nan 8.310 nan 0.000 0.494 29 G N 1.136 109.921 108.800 -0.025 0.000 2.642 29 G HA2 0.440 4.399 3.960 -0.001 0.000 0.291 29 G HA3 0.440 4.399 3.960 -0.001 0.000 0.291 29 G C 0.618 175.472 174.900 -0.077 0.000 1.345 29 G CA -0.286 44.791 45.100 -0.039 0.000 1.043 29 G HN 0.709 nan 8.290 nan 0.000 0.528 30 T N -0.556 113.932 114.554 -0.110 0.000 2.857 30 T HA 0.127 4.476 4.350 -0.001 0.000 0.266 30 T C 0.756 175.313 174.700 -0.237 0.000 1.048 30 T CA 0.933 62.941 62.100 -0.155 0.000 1.139 30 T CB -0.263 68.505 68.868 -0.166 0.000 0.874 30 T HN 0.134 nan 8.240 nan 0.000 0.455 31 L N -1.543 119.477 121.223 -0.339 0.000 2.403 31 L HA 0.642 4.981 4.340 -0.001 0.000 0.253 31 L C 0.255 176.978 176.870 -0.246 0.000 1.045 31 L CA -0.751 53.780 54.840 -0.515 0.000 0.845 31 L CB 2.022 43.284 42.059 -1.327 0.000 1.447 31 L HN 0.377 nan 8.230 nan 0.000 0.411 32 G N 0.775 109.566 108.800 -0.016 0.000 2.756 32 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.678 32 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.678 32 G C -2.961 172.002 174.900 0.104 0.000 1.349 32 G CA -1.097 44.156 45.100 0.255 0.000 0.847 32 G HN 0.439 nan 8.290 nan 0.000 0.548 33 P HA 0.368 nan 4.420 nan 0.000 0.270 33 P C -0.188 177.133 177.300 0.036 0.000 1.223 33 P CA -0.371 62.761 63.100 0.052 0.000 0.785 33 P CB 0.419 32.146 31.700 0.045 0.000 0.923 34 D N -0.502 119.912 120.400 0.023 0.000 2.358 34 D HA 0.300 4.940 4.640 -0.001 0.000 0.244 34 D C -0.296 176.015 176.300 0.018 0.000 1.163 34 D CA 0.031 54.041 54.000 0.015 0.000 0.945 34 D CB 0.616 41.422 40.800 0.010 0.000 1.152 34 D HN 0.151 nan 8.370 nan 0.000 0.451 35 V N -1.798 118.125 119.914 0.015 0.000 2.876 35 V HA 0.581 4.700 4.120 -0.001 0.000 0.312 35 V C -0.313 175.791 176.094 0.016 0.000 1.085 35 V CA -0.988 61.322 62.300 0.017 0.000 0.945 35 V CB 1.770 33.603 31.823 0.017 0.000 1.017 35 V HN 0.363 nan 8.190 nan 0.000 0.428 36 I N 2.687 123.269 120.570 0.020 0.000 2.312 36 I HA 0.334 4.503 4.170 -0.001 0.000 0.290 36 I C -0.329 175.801 176.117 0.023 0.000 1.008 36 I CA -0.139 61.173 61.300 0.020 0.000 1.226 36 I CB 1.274 39.288 38.000 0.024 0.000 1.371 36 I HN 0.727 nan 8.210 nan 0.000 0.468 37 D N 7.741 128.153 120.400 0.019 0.000 2.342 37 D HA 0.102 4.742 4.640 -0.001 0.000 0.260 37 D C 0.721 177.038 176.300 0.027 0.000 1.278 37 D CA -0.052 53.960 54.000 0.020 0.000 0.910 37 D CB 0.742 41.550 40.800 0.014 0.000 1.079 37 D HN 0.536 nan 8.370 nan 0.000 0.496 38 I N 0.738 121.329 120.570 0.035 0.000 3.891 38 I HA 0.249 4.418 4.170 -0.001 0.000 0.331 38 I C 1.432 177.582 176.117 0.055 0.000 1.406 38 I CA -0.616 60.713 61.300 0.049 0.000 1.139 38 I CB 0.212 38.250 38.000 0.063 0.000 1.056 38 I HN 0.050 nan 8.210 nan 0.000 0.399 39 R N 1.868 122.393 120.500 0.041 0.000 2.200 39 R HA -0.045 4.294 4.340 -0.001 0.000 0.234 39 R C 1.268 177.597 176.300 0.049 0.000 1.127 39 R CA 1.217 57.342 56.100 0.041 0.000 0.989 39 R CB -0.130 30.185 30.300 0.025 0.000 0.869 39 R HN 0.467 nan 8.270 nan 0.000 0.459 40 K N 0.017 120.444 120.400 0.044 0.000 2.373 40 K HA 0.059 4.378 4.320 -0.001 0.000 0.202 40 K C 1.171 177.801 176.600 0.049 0.000 1.025 40 K CA -0.236 56.076 56.287 0.043 0.000 1.115 40 K CB 0.392 32.910 32.500 0.029 0.000 0.858 40 K HN -0.030 nan 8.250 nan 0.000 0.525 41 L N 2.383 123.644 121.223 0.063 0.000 2.013 41 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 41 L C -1.206 175.694 176.870 0.051 0.000 1.073 41 L CA 2.108 56.985 54.840 0.061 0.000 0.753 41 L CB -0.744 41.365 42.059 0.084 0.000 0.890 41 L HN 0.020 nan 8.230 nan 0.000 0.432 42 P HA -0.141 nan 4.420 nan 0.000 0.215 42 P C 1.578 178.885 177.300 0.011 0.000 1.153 42 P CA 2.070 65.192 63.100 0.037 0.000 0.853 42 P CB -0.210 31.583 31.700 0.154 0.000 0.788 43 A N -0.470 122.370 122.820 0.033 0.000 1.902 43 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 43 A C 2.218 179.806 177.584 0.007 0.000 1.181 43 A CA 1.671 53.720 52.037 0.019 0.000 0.623 43 A CB -1.263 17.753 19.000 0.025 0.000 0.818 43 A HN 0.203 nan 8.150 nan 0.000 0.443 44 Q N -1.072 118.734 119.800 0.010 0.000 2.096 44 Q HA 0.133 4.473 4.340 -0.001 0.000 0.197 44 Q C 1.391 177.387 176.000 -0.006 0.000 0.964 44 Q CA 1.197 57.003 55.803 0.004 0.000 0.838 44 Q CB -0.024 28.720 28.738 0.010 0.000 0.906 44 Q HN 0.627 nan 8.270 nan 0.000 0.444 45 L N -1.956 119.259 121.223 -0.013 0.000 2.966 45 L HA 0.336 4.676 4.340 -0.001 0.000 0.262 45 L C 0.716 177.554 176.870 -0.054 0.000 1.165 45 L CA 0.153 54.977 54.840 -0.026 0.000 0.978 45 L CB 0.942 42.991 42.059 -0.017 0.000 1.337 45 L HN 0.353 nan 8.230 nan 0.000 0.563 46 G N 1.796 110.552 108.800 -0.074 0.000 2.176 46 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.252 46 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.252 46 G C 0.059 174.821 174.900 -0.231 0.000 1.024 46 G CA 0.466 45.487 45.100 -0.131 0.000 0.755 46 G HN 0.326 nan 8.290 nan 0.000 0.507 47 V N -3.977 115.797 119.914 -0.232 0.000 3.160 47 V HA 0.959 5.078 4.120 -0.001 0.000 0.310 47 V C -0.094 175.846 176.094 -0.256 0.000 1.181 47 V CA -2.089 60.031 62.300 -0.301 0.000 1.047 47 V CB 1.878 33.633 31.823 -0.113 0.000 1.068 47 V HN 0.348 nan 8.190 nan 0.000 0.441 48 F N -0.200 119.781 119.950 0.051 0.000 2.618 48 F HA 0.778 5.305 4.527 -0.001 0.000 0.332 48 F C 0.879 176.729 175.800 0.083 0.000 1.061 48 F CA -0.556 57.483 58.000 0.066 0.000 0.974 48 F CB 2.327 41.376 39.000 0.081 0.000 1.310 48 F HN 0.833 nan 8.300 nan 0.000 0.491 49 T N -1.608 113.131 114.554 0.307 0.000 2.847 49 T HA 0.481 4.830 4.350 -0.001 0.000 0.279 49 T C -1.163 173.708 174.700 0.285 0.000 0.984 49 T CA -0.455 61.778 62.100 0.221 0.000 0.988 49 T CB 1.601 70.556 68.868 0.146 0.000 1.040 49 T HN 0.407 nan 8.240 nan 0.000 0.528 50 F N 1.141 121.133 119.950 0.071 0.000 2.499 50 F HA 0.545 5.072 4.527 -0.001 0.000 0.333 50 F C -1.053 174.751 175.800 0.007 0.000 1.138 50 F CA -1.138 56.886 58.000 0.041 0.000 0.945 50 F CB 1.661 40.683 39.000 0.037 0.000 1.181 50 F HN 0.683 nan 8.300 nan 0.000 0.435 51 D N 7.855 127.965 120.400 -0.483 0.000 2.846 51 D HA 0.253 4.893 4.640 -0.001 0.000 0.279 51 D C -2.788 173.170 176.300 -0.569 0.000 1.222 51 D CA -1.442 52.309 54.000 -0.416 0.000 0.769 51 D CB 0.874 41.587 40.800 -0.146 0.000 1.299 51 D HN 0.159 nan 8.370 nan 0.000 0.537 52 P HA 0.254 nan 4.420 nan 0.000 0.264 52 P C 1.034 178.074 177.300 -0.434 0.000 1.193 52 P CA 0.713 63.439 63.100 -0.624 0.000 0.763 52 P CB 1.212 32.584 31.700 -0.548 0.000 0.810 53 G N 2.913 111.431 108.800 -0.470 0.000 2.232 53 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.226 53 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.226 53 G C 0.482 175.317 174.900 -0.108 0.000 0.996 53 G CA 0.154 45.108 45.100 -0.243 0.000 0.626 53 G HN 0.454 nan 8.290 nan 0.000 0.509 54 Y N -1.388 118.846 120.300 -0.110 0.000 4.819 54 Y HA -0.316 4.233 4.550 -0.001 0.000 0.230 54 Y C 2.345 178.204 175.900 -0.067 0.000 1.009 54 Y CA 1.126 59.174 58.100 -0.086 0.000 1.971 54 Y CB -1.672 36.746 38.460 -0.071 0.000 1.587 54 Y HN 0.906 nan 8.280 nan 0.000 0.587 55 G N 0.016 108.845 108.800 0.049 0.000 2.501 55 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.220 55 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.220 55 G C 1.054 175.965 174.900 0.019 0.000 1.114 55 G CA 1.430 46.544 45.100 0.024 0.000 0.757 55 G HN 0.480 nan 8.290 nan 0.000 0.559 56 E N -0.418 119.795 120.200 0.022 0.000 2.603 56 E HA 0.204 4.554 4.350 -0.001 0.000 0.211 56 E C -0.078 176.542 176.600 0.033 0.000 0.995 56 E CA 0.004 56.417 56.400 0.021 0.000 0.990 56 E CB 0.992 30.700 29.700 0.014 0.000 1.036 56 E HN 0.092 nan 8.360 nan 0.000 0.475 57 T N 0.991 115.575 114.554 0.050 0.000 2.786 57 T HA 0.618 4.967 4.350 -0.001 0.000 0.283 57 T C -0.314 174.402 174.700 0.027 0.000 0.992 57 T CA -0.743 61.389 62.100 0.054 0.000 0.954 57 T CB 1.433 70.365 68.868 0.106 0.000 0.934 57 T HN 0.096 nan 8.240 nan 0.000 0.440 58 A N 2.377 125.206 122.820 0.014 0.000 2.350 58 A HA 0.632 4.951 4.320 -0.001 0.000 0.293 58 A C 1.382 178.955 177.584 -0.018 0.000 1.231 58 A CA -0.480 51.556 52.037 -0.002 0.000 0.883 58 A CB -0.036 18.967 19.000 0.006 0.000 1.133 58 A HN 1.008 nan 8.150 nan 0.000 0.533 59 A N 1.993 124.785 122.820 -0.047 0.000 2.169 59 A HA 0.367 4.686 4.320 -0.001 0.000 0.212 59 A C 1.008 178.558 177.584 -0.057 0.000 1.153 59 A CA 1.186 53.177 52.037 -0.077 0.000 0.756 59 A CB -0.912 18.000 19.000 -0.146 0.000 0.813 59 A HN 1.881 nan 8.150 nan 0.000 0.471 60 C N -3.305 115.972 119.300 -0.038 0.000 3.259 60 C HA 0.571 5.031 4.460 -0.001 0.000 0.344 60 C C -1.178 173.802 174.990 -0.017 0.000 1.401 60 C CA -1.573 57.427 59.018 -0.030 0.000 1.219 60 C CB 0.571 28.291 27.740 -0.034 0.000 1.521 60 C HN 0.224 nan 8.230 nan 0.000 0.455 61 N N 0.861 119.551 118.700 -0.017 0.000 2.492 61 N HA 0.769 5.509 4.740 -0.001 0.000 0.289 61 N C -0.785 174.721 175.510 -0.007 0.000 1.133 61 N CA 0.144 53.188 53.050 -0.009 0.000 0.961 61 N CB 1.881 40.359 38.487 -0.015 0.000 1.186 61 N HN 0.913 nan 8.380 nan 0.000 0.493 62 S N -0.111 115.591 115.700 0.005 0.000 2.537 62 S HA 0.364 4.833 4.470 -0.001 0.000 0.271 62 S C -0.402 174.210 174.600 0.019 0.000 1.148 62 S CA -0.613 57.593 58.200 0.011 0.000 0.868 62 S CB 0.983 64.197 63.200 0.023 0.000 1.115 62 S HN 0.518 nan 8.310 nan 0.000 0.461 63 K N 2.816 123.225 120.400 0.015 0.000 2.402 63 K HA 0.388 4.708 4.320 -0.001 0.000 0.204 63 K C 1.073 177.694 176.600 0.036 0.000 1.056 63 K CA 0.043 56.339 56.287 0.015 0.000 1.069 63 K CB 0.285 32.783 32.500 -0.003 0.000 0.888 63 K HN 0.522 nan 8.250 nan 0.000 0.546 64 I N 0.499 121.099 120.570 0.049 0.000 2.188 64 I HA -0.091 4.079 4.170 -0.001 0.000 0.237 64 I C 0.569 176.766 176.117 0.134 0.000 1.073 64 I CA 1.078 62.423 61.300 0.075 0.000 1.359 64 I CB 0.257 38.296 38.000 0.066 0.000 1.083 64 I HN -0.071 nan 8.210 nan 0.000 0.412 65 T N 0.587 115.224 114.554 0.138 0.000 2.893 65 T HA 0.426 4.776 4.350 -0.001 0.000 0.293 65 T C -1.293 173.475 174.700 0.113 0.000 1.027 65 T CA -0.281 61.917 62.100 0.164 0.000 0.988 65 T CB 2.343 71.331 68.868 0.201 0.000 1.043 65 T HN -0.039 nan 8.240 nan 0.000 0.461 66 F N 3.315 123.229 119.950 -0.060 0.000 2.520 66 F HA 0.807 5.333 4.527 -0.001 0.000 0.322 66 F C -1.523 174.206 175.800 -0.118 0.000 1.103 66 F CA -1.355 56.595 58.000 -0.083 0.000 0.926 66 F CB 0.829 39.789 39.000 -0.067 0.000 1.154 66 F HN 0.439 nan 8.300 nan 0.000 0.453 67 I N 5.119 124.920 120.570 -1.281 0.000 2.533 67 I HA 0.262 4.432 4.170 -0.001 0.000 0.290 67 I C -1.427 173.924 176.117 -1.277 0.000 1.056 67 I CA -0.728 59.964 61.300 -1.013 0.000 1.057 67 I CB 1.992 39.552 38.000 -0.735 0.000 1.240 67 I HN 0.459 nan 8.210 nan 0.000 0.423 68 D N 4.786 124.751 120.400 -0.726 0.000 2.460 68 D HA 0.258 4.898 4.640 -0.001 0.000 0.232 68 D C 0.945 177.160 176.300 -0.142 0.000 1.079 68 D CA -0.297 53.511 54.000 -0.319 0.000 0.864 68 D CB 2.010 42.836 40.800 0.043 0.000 1.048 68 D HN 0.752 nan 8.370 nan 0.000 0.523 69 G N 3.162 111.858 108.800 -0.172 0.000 2.408 69 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.217 69 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.217 69 G C 1.100 176.029 174.900 0.048 0.000 1.150 69 G CA 0.368 45.425 45.100 -0.073 0.000 0.776 69 G HN 0.438 nan 8.290 nan 0.000 0.542 70 D N 0.520 120.929 120.400 0.014 0.000 2.183 70 D HA -0.002 4.638 4.640 -0.001 0.000 0.203 70 D C 2.274 178.580 176.300 0.010 0.000 0.969 70 D CA 0.818 54.828 54.000 0.016 0.000 0.842 70 D CB -0.003 40.810 40.800 0.021 0.000 0.957 70 D HN 0.325 nan 8.370 nan 0.000 0.484 71 K N -0.572 119.845 120.400 0.029 0.000 2.367 71 K HA 0.228 4.548 4.320 -0.001 0.000 0.194 71 K C 0.884 177.497 176.600 0.022 0.000 1.027 71 K CA 0.395 56.699 56.287 0.028 0.000 1.075 71 K CB 0.974 33.504 32.500 0.051 0.000 0.845 71 K HN 0.052 nan 8.250 nan 0.000 0.529 72 G N 1.895 110.730 108.800 0.058 0.000 2.272 72 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.280 72 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.280 72 G C -0.198 174.728 174.900 0.044 0.000 1.067 72 G CA -0.115 44.999 45.100 0.024 0.000 0.902 72 G HN 0.111 nan 8.290 nan 0.000 0.500 73 V N 0.448 120.427 119.914 0.108 0.000 2.483 73 V HA 0.789 4.908 4.120 -0.001 0.000 0.295 73 V C 0.119 176.248 176.094 0.058 0.000 1.035 73 V CA -0.754 61.591 62.300 0.076 0.000 0.896 73 V CB 1.781 33.671 31.823 0.112 0.000 0.986 73 V HN 0.621 nan 8.190 nan 0.000 0.447 74 L N 6.803 128.047 121.223 0.035 0.000 2.439 74 L HA 0.677 5.016 4.340 -0.001 0.000 0.270 74 L C -1.243 175.564 176.870 -0.105 0.000 0.972 74 L CA 0.066 54.883 54.840 -0.039 0.000 0.836 74 L CB 1.498 43.579 42.059 0.037 0.000 1.255 74 L HN 0.534 nan 8.230 nan 0.000 0.404 75 L N 4.595 125.750 121.223 -0.114 0.000 2.362 75 L HA 0.590 4.930 4.340 -0.001 0.000 0.271 75 L C -0.957 175.817 176.870 -0.159 0.000 1.002 75 L CA -0.880 53.913 54.840 -0.080 0.000 0.818 75 L CB 1.987 44.093 42.059 0.079 0.000 1.298 75 L HN 0.522 nan 8.230 nan 0.000 0.420 76 H N 4.572 123.719 119.070 0.128 0.000 2.638 76 H HA 0.367 4.922 4.556 -0.001 0.000 0.317 76 H C -0.220 175.195 175.328 0.145 0.000 1.006 76 H CA -0.614 55.505 56.048 0.118 0.000 1.222 76 H CB 1.539 31.365 29.762 0.106 0.000 1.419 76 H HN 0.457 nan 8.280 nan 0.000 0.489 77 R N 2.006 122.624 120.500 0.197 0.000 3.516 77 R HA -0.214 4.126 4.340 -0.001 0.000 0.271 77 R C 1.109 177.372 176.300 -0.062 0.000 1.098 77 R CA 0.897 57.059 56.100 0.104 0.000 0.732 77 R CB -2.287 28.119 30.300 0.177 0.000 1.152 77 R HN 1.176 nan 8.270 nan 0.000 0.455 78 G N -1.970 106.785 108.800 -0.077 0.000 2.241 78 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.244 78 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.244 78 G C -0.085 174.652 174.900 -0.271 0.000 0.998 78 G CA 0.326 45.290 45.100 -0.226 0.000 0.621 78 G HN 0.331 nan 8.290 nan 0.000 0.519 79 Y N 1.909 122.228 120.300 0.031 0.000 2.316 79 Y HA 0.507 5.057 4.550 -0.001 0.000 0.331 79 Y C -1.870 174.036 175.900 0.009 0.000 1.083 79 Y CA -2.313 55.801 58.100 0.023 0.000 1.206 79 Y CB 0.904 39.386 38.460 0.035 0.000 1.195 79 Y HN -0.019 nan 8.280 nan 0.000 0.497 80 P HA -0.023 nan 4.420 nan 0.000 0.268 80 P C 0.792 178.131 177.300 0.064 0.000 1.204 80 P CA -0.003 63.136 63.100 0.066 0.000 0.768 80 P CB 0.801 32.533 31.700 0.053 0.000 0.842 81 I N 4.133 124.709 120.570 0.010 0.000 2.264 81 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 81 I C 1.899 178.042 176.117 0.043 0.000 1.111 81 I CA 1.789 63.111 61.300 0.036 0.000 1.382 81 I CB -0.831 37.173 38.000 0.006 0.000 1.060 81 I HN 0.393 nan 8.210 nan 0.000 0.418 82 A N -0.490 122.342 122.820 0.020 0.000 1.902 82 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 82 A C 2.237 179.832 177.584 0.017 0.000 1.181 82 A CA 1.888 53.931 52.037 0.010 0.000 0.623 82 A CB -0.684 18.313 19.000 -0.006 0.000 0.818 82 A HN 0.630 nan 8.150 nan 0.000 0.443 83 Q N -0.483 119.335 119.800 0.030 0.000 2.119 83 Q HA -0.042 4.298 4.340 -0.001 0.000 0.201 83 Q C 2.065 178.071 176.000 0.010 0.000 0.972 83 Q CA 1.301 57.119 55.803 0.024 0.000 0.847 83 Q CB -0.291 28.476 28.738 0.048 0.000 0.903 83 Q HN 0.684 nan 8.270 nan 0.000 0.433 84 L N 0.011 121.251 121.223 0.029 0.000 2.056 84 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 84 L C 2.519 179.401 176.870 0.020 0.000 1.078 84 L CA 0.907 55.754 54.840 0.010 0.000 0.749 84 L CB -0.614 41.481 42.059 0.061 0.000 0.901 84 L HN 0.193 nan 8.230 nan 0.000 0.433 85 A N -0.112 122.732 122.820 0.040 0.000 1.972 85 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 85 A C 2.193 179.790 177.584 0.023 0.000 1.169 85 A CA 1.925 53.986 52.037 0.040 0.000 0.635 85 A CB -0.366 18.656 19.000 0.035 0.000 0.810 85 A HN 0.391 nan 8.150 nan 0.000 0.446 86 E N 0.376 120.582 120.200 0.010 0.000 2.076 86 E HA -0.068 4.282 4.350 -0.001 0.000 0.190 86 E C 1.629 178.225 176.600 -0.007 0.000 0.979 86 E CA 1.634 58.034 56.400 0.000 0.000 0.807 86 E CB -0.119 29.578 29.700 -0.005 0.000 0.761 86 E HN 0.630 nan 8.360 nan 0.000 0.454 87 N N -0.353 118.336 118.700 -0.018 0.000 2.463 87 N HA 0.177 4.916 4.740 -0.001 0.000 0.183 87 N C -0.061 175.417 175.510 -0.052 0.000 1.064 87 N CA 0.611 53.639 53.050 -0.037 0.000 0.879 87 N CB 0.384 38.840 38.487 -0.052 0.000 1.148 87 N HN 0.111 nan 8.380 nan 0.000 0.451 88 A N 1.417 124.205 122.820 -0.053 0.000 2.304 88 A HA 0.489 4.809 4.320 -0.001 0.000 0.271 88 A C 0.596 178.170 177.584 -0.015 0.000 1.091 88 A CA -0.373 51.622 52.037 -0.070 0.000 0.812 88 A CB 0.433 19.376 19.000 -0.095 0.000 1.056 88 A HN 0.225 nan 8.150 nan 0.000 0.489 89 S N 0.124 115.815 115.700 -0.016 0.000 2.632 89 S HA 0.290 4.759 4.470 -0.001 0.000 0.271 89 S C 0.638 175.308 174.600 0.116 0.000 1.260 89 S CA -0.097 58.152 58.200 0.081 0.000 1.010 89 S CB 0.374 63.641 63.200 0.112 0.000 0.965 89 S HN 0.780 nan 8.310 nan 0.000 0.534 90 Y N 1.663 122.001 120.300 0.064 0.000 2.224 90 Y HA -0.108 4.441 4.550 -0.001 0.000 0.289 90 Y C 2.026 177.928 175.900 0.003 0.000 1.146 90 Y CA 2.171 60.284 58.100 0.022 0.000 1.182 90 Y CB -0.443 38.037 38.460 0.034 0.000 0.983 90 Y HN 0.840 nan 8.280 nan 0.000 0.524 91 E N 0.270 120.563 120.200 0.156 0.000 2.153 91 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 91 E C 2.015 178.690 176.600 0.126 0.000 0.988 91 E CA 1.643 58.139 56.400 0.160 0.000 0.811 91 E CB -0.155 29.726 29.700 0.301 0.000 0.746 91 E HN 0.608 nan 8.360 nan 0.000 0.466 92 E N -0.072 120.215 120.200 0.145 0.000 2.072 92 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 92 E C 2.007 178.532 176.600 -0.125 0.000 0.985 92 E CA 1.097 57.495 56.400 -0.004 0.000 0.801 92 E CB 0.087 29.711 29.700 -0.127 0.000 0.750 92 E HN 0.092 nan 8.360 nan 0.000 0.452 93 V N 1.332 121.126 119.914 -0.199 0.000 2.515 93 V HA -0.226 3.894 4.120 -0.001 0.000 0.250 93 V C 2.143 178.033 176.094 -0.341 0.000 1.058 93 V CA 1.291 63.431 62.300 -0.266 0.000 1.064 93 V CB -0.337 31.302 31.823 -0.307 0.000 0.675 93 V HN 0.271 nan 8.190 nan 0.000 0.461 94 I N -0.999 119.308 120.570 -0.438 0.000 2.202 94 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 94 I C 2.445 178.421 176.117 -0.235 0.000 1.091 94 I CA 1.959 63.061 61.300 -0.329 0.000 1.368 94 I CB -0.484 37.394 38.000 -0.203 0.000 1.058 94 I HN 0.335 nan 8.210 nan 0.000 0.410 95 Y N 1.600 121.556 120.300 -0.575 0.000 2.128 95 Y HA -0.302 4.247 4.550 -0.001 0.000 0.284 95 Y C 2.373 178.041 175.900 -0.387 0.000 1.154 95 Y CA 1.700 59.289 58.100 -0.852 0.000 1.149 95 Y CB -0.361 37.469 38.460 -1.051 0.000 0.976 95 Y HN 0.067 nan 8.280 nan 0.000 0.505 96 L N 0.058 121.267 121.223 -0.023 0.000 2.012 96 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 96 L C 2.166 179.006 176.870 -0.050 0.000 1.073 96 L CA 1.937 56.784 54.840 0.011 0.000 0.748 96 L CB -0.866 41.193 42.059 -0.000 0.000 0.891 96 L HN 0.345 nan 8.230 nan 0.000 0.431 97 L N -1.436 119.723 121.223 -0.106 0.000 2.093 97 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 97 L C 2.496 179.316 176.870 -0.083 0.000 1.085 97 L CA 1.068 55.854 54.840 -0.090 0.000 0.755 97 L CB -0.454 41.518 42.059 -0.144 0.000 0.904 97 L HN 0.319 nan 8.230 nan 0.000 0.435 98 L N -0.390 120.756 121.223 -0.128 0.000 2.072 98 L HA -0.139 4.200 4.340 -0.001 0.000 0.205 98 L C 2.041 178.813 176.870 -0.162 0.000 1.079 98 L CA 1.091 55.861 54.840 -0.116 0.000 0.752 98 L CB -0.234 41.760 42.059 -0.107 0.000 0.906 98 L HN 0.384 nan 8.230 nan 0.000 0.436 99 N N -1.285 117.247 118.700 -0.280 0.000 2.368 99 N HA 0.071 4.810 4.740 -0.001 0.000 0.178 99 N C 1.366 176.805 175.510 -0.119 0.000 1.076 99 N CA 1.081 53.966 53.050 -0.276 0.000 0.889 99 N CB 1.218 39.333 38.487 -0.621 0.000 1.040 99 N HN 0.363 nan 8.380 nan 0.000 0.463 100 G N 0.134 108.902 108.800 -0.054 0.000 2.238 100 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.217 100 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.217 100 G C -0.121 174.834 174.900 0.092 0.000 0.996 100 G CA -0.170 44.941 45.100 0.019 0.000 0.632 100 G HN 0.262 nan 8.290 nan 0.000 0.503 101 E N -0.457 119.824 120.200 0.135 0.000 2.416 101 E HA 0.616 4.965 4.350 -0.001 0.000 0.273 101 E C -0.329 176.395 176.600 0.207 0.000 0.935 101 E CA -0.859 55.658 56.400 0.194 0.000 0.784 101 E CB 1.670 31.467 29.700 0.162 0.000 1.301 101 E HN 0.222 nan 8.360 nan 0.000 0.454 102 L N 3.100 124.373 121.223 0.083 0.000 2.380 102 L HA 0.248 4.588 4.340 -0.001 0.000 0.273 102 L C -1.830 174.927 176.870 -0.188 0.000 1.138 102 L CA -1.417 53.365 54.840 -0.097 0.000 0.832 102 L CB 0.378 42.298 42.059 -0.231 0.000 1.124 102 L HN 0.147 nan 8.230 nan 0.000 0.454 103 P HA 0.141 nan 4.420 nan 0.000 0.278 103 P C -1.331 175.768 177.300 -0.336 0.000 1.238 103 P CA -0.643 62.034 63.100 -0.706 0.000 0.794 103 P CB 1.003 31.881 31.700 -1.371 0.000 0.955 104 N N 1.607 120.177 118.700 -0.217 0.000 2.366 104 N HA 0.074 4.814 4.740 -0.001 0.000 0.277 104 N C 1.092 176.550 175.510 -0.087 0.000 1.275 104 N CA -0.481 52.495 53.050 -0.123 0.000 0.964 104 N CB 0.246 38.694 38.487 -0.064 0.000 1.167 104 N HN 0.256 nan 8.380 nan 0.000 0.568 105 K N -0.808 119.563 120.400 -0.048 0.000 2.032 105 K HA -0.140 4.179 4.320 -0.001 0.000 0.209 105 K C 1.698 178.335 176.600 0.061 0.000 1.048 105 K CA 1.568 57.861 56.287 0.009 0.000 0.927 105 K CB -0.699 31.801 32.500 0.000 0.000 0.712 105 K HN 0.670 nan 8.250 nan 0.000 0.441 106 A N 1.079 123.919 122.820 0.033 0.000 1.877 106 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 106 A C 2.097 179.717 177.584 0.060 0.000 1.186 106 A CA 1.550 53.615 52.037 0.047 0.000 0.620 106 A CB -0.508 18.513 19.000 0.036 0.000 0.822 106 A HN 0.456 nan 8.150 nan 0.000 0.443 107 Q N -2.156 117.661 119.800 0.029 0.000 2.084 107 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 107 Q C 2.010 178.031 176.000 0.035 0.000 0.978 107 Q CA 1.801 57.623 55.803 0.033 0.000 0.844 107 Q CB -0.341 28.347 28.738 -0.084 0.000 0.898 107 Q HN 0.820 nan 8.270 nan 0.000 0.426 108 Y N 1.750 121.955 120.300 -0.159 0.000 2.181 108 Y HA -0.239 4.311 4.550 -0.001 0.000 0.288 108 Y C 1.566 177.512 175.900 0.076 0.000 1.146 108 Y CA 1.696 59.738 58.100 -0.096 0.000 1.164 108 Y CB -0.005 38.370 38.460 -0.140 0.000 0.982 108 Y HN 0.098 nan 8.280 nan 0.000 0.515 109 D N -1.072 119.386 120.400 0.097 0.000 2.144 109 D HA -0.138 4.502 4.640 -0.001 0.000 0.200 109 D C 2.121 178.432 176.300 0.019 0.000 0.978 109 D CA 1.856 55.877 54.000 0.035 0.000 0.833 109 D CB -0.449 40.402 40.800 0.084 0.000 0.961 109 D HN 0.341 nan 8.370 nan 0.000 0.470 110 T N 0.297 114.894 114.554 0.071 0.000 2.821 110 T HA -0.115 4.235 4.350 -0.001 0.000 0.267 110 T C 1.673 176.441 174.700 0.112 0.000 1.046 110 T CA 0.488 62.642 62.100 0.090 0.000 1.139 110 T CB -0.342 68.600 68.868 0.122 0.000 0.871 110 T HN 0.102 nan 8.240 nan 0.000 0.454 111 F N 2.481 122.426 119.950 -0.009 0.000 2.113 111 F HA -0.154 4.372 4.527 -0.001 0.000 0.297 111 F C 2.678 178.430 175.800 -0.080 0.000 1.103 111 F CA 1.791 59.795 58.000 0.007 0.000 1.248 111 F CB -0.731 38.335 39.000 0.111 0.000 0.999 111 F HN 0.204 nan 8.300 nan 0.000 0.475 112 T N -1.889 112.605 114.554 -0.099 0.000 2.915 112 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 112 T C 1.780 176.409 174.700 -0.119 0.000 1.071 112 T CA 1.275 63.266 62.100 -0.182 0.000 1.132 112 T CB -0.573 68.129 68.868 -0.277 0.000 0.878 112 T HN 0.205 nan 8.240 nan 0.000 0.479 113 N N 1.319 119.971 118.700 -0.079 0.000 2.142 113 N HA -0.034 4.706 4.740 -0.001 0.000 0.186 113 N C 2.082 177.560 175.510 -0.053 0.000 1.023 113 N CA 1.672 54.696 53.050 -0.043 0.000 0.852 113 N CB -0.919 37.561 38.487 -0.013 0.000 0.998 113 N HN 0.451 nan 8.380 nan 0.000 0.424 114 T N 2.118 116.630 114.554 -0.069 0.000 2.708 114 T HA -0.012 4.337 4.350 -0.001 0.000 0.266 114 T C 2.127 176.823 174.700 -0.007 0.000 1.037 114 T CA 0.661 62.745 62.100 -0.027 0.000 1.146 114 T CB -0.260 68.566 68.868 -0.069 0.000 0.865 114 T HN 0.126 nan 8.240 nan 0.000 0.435 115 L N 1.151 122.274 121.223 -0.167 0.000 2.012 115 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 115 L C 3.125 179.995 176.870 -0.000 0.000 1.073 115 L CA 1.858 56.636 54.840 -0.103 0.000 0.748 115 L CB -1.247 40.713 42.059 -0.164 0.000 0.891 115 L HN 0.460 nan 8.230 nan 0.000 0.431 116 T N -3.693 110.850 114.554 -0.019 0.000 2.929 116 T HA -0.208 4.141 4.350 -0.001 0.000 0.271 116 T C 1.585 176.261 174.700 -0.041 0.000 1.085 116 T CA 1.306 63.402 62.100 -0.007 0.000 1.125 116 T CB -0.507 68.360 68.868 -0.002 0.000 0.874 116 T HN 0.308 nan 8.240 nan 0.000 0.494 117 N N 0.620 119.267 118.700 -0.088 0.000 2.550 117 N HA -0.069 4.670 4.740 -0.001 0.000 0.186 117 N C 0.553 175.787 175.510 -0.459 0.000 1.110 117 N CA 0.653 53.556 53.050 -0.246 0.000 0.912 117 N CB 0.029 38.336 38.487 -0.300 0.000 0.968 117 N HN 0.609 nan 8.380 nan 0.000 0.448 118 H N -1.617 117.440 119.070 -0.020 0.000 3.052 118 H HA 0.098 4.653 4.556 -0.001 0.000 0.257 118 H C 1.256 176.570 175.328 -0.023 0.000 1.193 118 H CA 0.228 56.268 56.048 -0.014 0.000 1.072 118 H CB 0.607 30.348 29.762 -0.034 0.000 1.685 118 H HN 0.247 nan 8.280 nan 0.000 0.630 119 T N -1.166 113.412 114.554 0.039 0.000 2.995 119 T HA 0.057 4.406 4.350 -0.001 0.000 0.269 119 T C 1.092 175.760 174.700 -0.054 0.000 1.091 119 T CA 0.160 62.251 62.100 -0.015 0.000 1.128 119 T CB 0.074 68.927 68.868 -0.026 0.000 0.891 119 T HN 0.046 nan 8.240 nan 0.000 0.492 120 L N 1.725 122.945 121.223 -0.006 0.000 2.397 120 L HA 0.413 4.752 4.340 -0.001 0.000 0.271 120 L C 0.113 176.977 176.870 -0.010 0.000 1.148 120 L CA -0.669 54.179 54.840 0.012 0.000 0.825 120 L CB 0.822 42.929 42.059 0.081 0.000 1.117 120 L HN 0.183 nan 8.230 nan 0.000 0.456 121 L N 2.270 123.445 121.223 -0.080 0.000 2.360 121 L HA 0.356 4.696 4.340 -0.001 0.000 0.271 121 L C 0.356 177.272 176.870 0.077 0.000 1.057 121 L CA -0.845 53.959 54.840 -0.061 0.000 0.803 121 L CB 0.921 42.825 42.059 -0.259 0.000 1.207 121 L HN 0.514 nan 8.230 nan 0.000 0.445 122 H N 2.727 121.760 119.070 -0.062 0.000 2.929 122 H HA -0.007 4.549 4.556 -0.001 0.000 0.317 122 H C 0.582 175.940 175.328 0.049 0.000 1.031 122 H CA 0.178 56.199 56.048 -0.045 0.000 1.466 122 H CB 1.166 30.773 29.762 -0.258 0.000 1.482 122 H HN 0.607 nan 8.280 nan 0.000 0.561 123 E N 3.738 123.991 120.200 0.089 0.000 2.273 123 E HA -0.250 4.100 4.350 -0.001 0.000 0.198 123 E C 1.673 178.453 176.600 0.301 0.000 1.002 123 E CA 0.833 57.379 56.400 0.243 0.000 0.828 123 E CB 0.103 29.890 29.700 0.144 0.000 0.747 123 E HN 0.729 nan 8.360 nan 0.000 0.491 124 Q N 0.235 120.300 119.800 0.441 0.000 2.291 124 Q HA -0.098 4.241 4.340 -0.001 0.000 0.205 124 Q C 1.969 178.029 176.000 0.100 0.000 0.970 124 Q CA 0.558 56.525 55.803 0.274 0.000 0.876 124 Q CB 0.072 29.011 28.738 0.335 0.000 0.935 124 Q HN 0.170 nan 8.270 nan 0.000 0.455 125 I N 0.619 121.295 120.570 0.176 0.000 2.423 125 I HA -0.295 3.875 4.170 -0.001 0.000 0.254 125 I C 2.025 178.426 176.117 0.473 0.000 1.151 125 I CA 1.430 62.898 61.300 0.280 0.000 1.421 125 I CB -0.806 37.397 38.000 0.338 0.000 1.079 125 I HN 0.341 nan 8.210 nan 0.000 0.431 126 R N 0.739 121.538 120.500 0.498 0.000 2.117 126 R HA -0.186 4.153 4.340 -0.001 0.000 0.243 126 R C 1.945 178.488 176.300 0.405 0.000 1.143 126 R CA 1.403 57.845 56.100 0.570 0.000 0.968 126 R CB -0.291 30.192 30.300 0.305 0.000 0.863 126 R HN 0.489 nan 8.270 nan 0.000 0.444 127 N N 0.280 119.063 118.700 0.137 0.000 2.223 127 N HA -0.158 4.582 4.740 -0.001 0.000 0.185 127 N C 1.631 177.153 175.510 0.019 0.000 1.016 127 N CA 1.260 54.319 53.050 0.015 0.000 0.863 127 N CB -0.324 38.091 38.487 -0.120 0.000 0.983 127 N HN 0.225 nan 8.380 nan 0.000 0.429 128 F N 0.478 120.474 119.950 0.077 0.000 2.095 128 F HA -0.171 4.356 4.527 -0.001 0.000 0.298 128 F C 1.987 177.718 175.800 -0.116 0.000 1.104 128 F CA 0.790 58.737 58.000 -0.088 0.000 1.232 128 F CB -0.512 38.366 39.000 -0.202 0.000 0.987 128 F HN -0.059 nan 8.300 nan 0.000 0.475 129 F N 0.373 120.490 119.950 0.278 0.000 2.161 129 F HA -0.234 4.293 4.527 -0.001 0.000 0.300 129 F C 2.046 177.664 175.800 -0.304 0.000 1.089 129 F CA 1.083 59.077 58.000 -0.010 0.000 1.282 129 F CB -0.826 38.138 39.000 -0.059 0.000 1.010 129 F HN -0.043 nan 8.300 nan 0.000 0.485 130 N N 0.218 118.979 118.700 0.100 0.000 2.520 130 N HA -0.074 4.666 4.740 -0.001 0.000 0.185 130 N C 2.028 177.596 175.510 0.098 0.000 1.068 130 N CA 1.002 54.153 53.050 0.168 0.000 0.911 130 N CB -0.656 37.925 38.487 0.157 0.000 0.961 130 N HN 0.356 nan 8.380 nan 0.000 0.446 131 G N -1.049 107.724 108.800 -0.046 0.000 2.712 131 G HA2 0.023 3.983 3.960 -0.001 0.000 0.212 131 G HA3 0.023 3.983 3.960 -0.001 0.000 0.212 131 G C 0.171 174.899 174.900 -0.288 0.000 1.142 131 G CA -0.108 44.874 45.100 -0.197 0.000 0.789 131 G HN 0.108 nan 8.290 nan 0.000 0.535 132 F N 0.062 120.050 119.950 0.062 0.000 2.432 132 F HA 0.563 5.089 4.527 -0.000 0.000 0.329 132 F C 0.972 176.946 175.800 0.290 0.000 1.076 132 F CA -1.121 56.962 58.000 0.139 0.000 1.018 132 F CB 1.369 40.433 39.000 0.107 0.000 1.201 132 F HN -0.250 nan 8.300 nan 0.000 0.489 133 R N 1.163 121.928 120.500 0.441 0.000 2.615 133 R HA 0.249 4.588 4.340 -0.001 0.000 0.270 133 R C 1.190 177.715 176.300 0.375 0.000 1.081 133 R CA -0.693 55.599 56.100 0.319 0.000 1.154 133 R CB 0.644 31.070 30.300 0.211 0.000 1.063 133 R HN 0.563 nan 8.270 nan 0.000 0.519 134 R N 1.374 121.988 120.500 0.190 0.000 2.193 134 R HA -0.112 4.227 4.340 -0.001 0.000 0.229 134 R C 0.664 177.006 176.300 0.070 0.000 1.110 134 R CA 1.216 57.333 56.100 0.029 0.000 0.988 134 R CB -0.240 29.978 30.300 -0.138 0.000 0.871 134 R HN 0.683 nan 8.270 nan 0.000 0.458 135 D N -0.293 120.169 120.400 0.104 0.000 2.325 135 D HA 0.066 4.706 4.640 -0.001 0.000 0.225 135 D C 0.086 176.464 176.300 0.131 0.000 1.096 135 D CA -0.193 53.861 54.000 0.089 0.000 0.844 135 D CB -0.112 40.733 40.800 0.075 0.000 0.925 135 D HN -0.029 nan 8.370 nan 0.000 0.513 136 A N 0.741 123.669 122.820 0.181 0.000 2.462 136 A HA 0.118 4.438 4.320 -0.001 0.000 0.243 136 A C 0.233 177.889 177.584 0.120 0.000 1.076 136 A CA -0.353 51.800 52.037 0.194 0.000 0.773 136 A CB 0.007 19.142 19.000 0.225 0.000 1.010 136 A HN 0.440 nan 8.150 nan 0.000 0.493 137 H N 3.238 122.361 119.070 0.089 0.000 2.886 137 H HA 0.105 4.660 4.556 -0.001 0.000 0.329 137 H C -1.777 173.478 175.328 -0.122 0.000 1.044 137 H CA -1.366 54.712 56.048 0.050 0.000 1.456 137 H CB 1.073 30.961 29.762 0.210 0.000 1.464 137 H HN 0.308 nan 8.280 nan 0.000 0.573 138 P HA -0.188 nan 4.420 nan 0.000 0.217 138 P C 1.768 178.956 177.300 -0.187 0.000 1.148 138 P CA 1.131 64.141 63.100 -0.149 0.000 0.828 138 P CB 0.243 31.867 31.700 -0.126 0.000 0.783 139 M N -1.480 118.022 119.600 -0.164 0.000 2.229 139 M HA -0.059 4.420 4.480 -0.001 0.000 0.264 139 M C 2.023 177.796 176.300 -0.878 0.000 1.063 139 M CA 1.565 56.447 55.300 -0.698 0.000 1.114 139 M CB -1.628 30.050 32.600 -1.537 0.000 1.387 139 M HN -0.091 nan 8.290 nan 0.000 0.420 140 A N 0.387 122.720 122.820 -0.811 0.000 1.898 140 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 140 A C 2.185 179.587 177.584 -0.304 0.000 1.181 140 A CA 1.145 52.938 52.037 -0.405 0.000 0.620 140 A CB -0.714 18.306 19.000 0.032 0.000 0.819 140 A HN 0.449 nan 8.150 nan 0.000 0.442 141 I N -0.929 119.301 120.570 -0.567 0.000 2.226 141 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 141 I C 2.451 178.343 176.117 -0.375 0.000 1.100 141 I CA 1.179 61.943 61.300 -0.894 0.000 1.374 141 I CB -0.340 37.183 38.000 -0.796 0.000 1.057 141 I HN 0.339 nan 8.210 nan 0.000 0.413 142 L N 0.483 121.547 121.223 -0.265 0.000 2.017 142 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 142 L C 2.710 179.498 176.870 -0.137 0.000 1.073 142 L CA 1.782 56.527 54.840 -0.159 0.000 0.745 142 L CB -0.565 41.416 42.059 -0.129 0.000 0.894 142 L HN 0.431 nan 8.230 nan 0.000 0.432 143 C N -0.407 118.800 119.300 -0.156 0.000 2.413 143 C HA -0.098 4.362 4.460 -0.001 0.000 0.278 143 C C 2.874 177.825 174.990 -0.064 0.000 1.224 143 C CA 1.042 60.005 59.018 -0.091 0.000 1.732 143 C CB -1.563 26.143 27.740 -0.055 0.000 2.050 143 C HN 0.705 nan 8.230 nan 0.000 0.463 144 G N -0.594 108.196 108.800 -0.017 0.000 2.418 144 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.217 144 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.217 144 G C 1.769 176.568 174.900 -0.168 0.000 1.158 144 G CA 1.647 46.741 45.100 -0.009 0.000 0.771 144 G HN 0.571 nan 8.290 nan 0.000 0.545 145 T N 0.642 115.075 114.554 -0.202 0.000 2.821 145 T HA -0.064 4.285 4.350 -0.001 0.000 0.267 145 T C 2.507 177.033 174.700 -0.291 0.000 1.046 145 T CA 1.098 62.959 62.100 -0.398 0.000 1.139 145 T CB -0.141 68.476 68.868 -0.418 0.000 0.871 145 T HN 0.064 nan 8.240 nan 0.000 0.454 146 V N 1.342 121.167 119.914 -0.149 0.000 2.453 146 V HA -0.022 4.098 4.120 -0.001 0.000 0.247 146 V C 2.832 178.904 176.094 -0.037 0.000 1.048 146 V CA 1.779 64.049 62.300 -0.050 0.000 1.049 146 V CB -1.217 30.594 31.823 -0.020 0.000 0.672 146 V HN 0.577 nan 8.190 nan 0.000 0.457 147 G N -0.153 108.594 108.800 -0.089 0.000 2.418 147 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 147 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 147 G C 1.764 176.605 174.900 -0.099 0.000 1.158 147 G CA 0.996 46.053 45.100 -0.072 0.000 0.771 147 G HN 0.588 nan 8.290 nan 0.000 0.545 148 A N 0.349 123.026 122.820 -0.239 0.000 1.972 148 A HA 0.055 4.375 4.320 -0.001 0.000 0.219 148 A C 2.308 179.848 177.584 -0.072 0.000 1.169 148 A CA 1.522 53.365 52.037 -0.324 0.000 0.635 148 A CB -0.401 17.939 19.000 -1.100 0.000 0.810 148 A HN 0.395 nan 8.150 nan 0.000 0.446 149 L N 1.030 122.225 121.223 -0.046 0.000 2.187 149 L HA -0.164 4.175 4.340 -0.001 0.000 0.213 149 L C 2.708 179.595 176.870 0.028 0.000 1.100 149 L CA 2.293 57.195 54.840 0.104 0.000 0.765 149 L CB -0.564 41.561 42.059 0.110 0.000 0.904 149 L HN 0.556 nan 8.230 nan 0.000 0.437 150 S N -1.175 114.523 115.700 -0.004 0.000 2.419 150 S HA -0.169 4.301 4.470 -0.001 0.000 0.235 150 S C 2.102 176.642 174.600 -0.101 0.000 1.019 150 S CA 0.824 58.984 58.200 -0.066 0.000 0.982 150 S CB -0.792 62.434 63.200 0.044 0.000 0.789 150 S HN 0.471 nan 8.310 nan 0.000 0.490 151 A N 0.782 123.560 122.820 -0.069 0.000 1.969 151 A HA 0.197 4.516 4.320 -0.001 0.000 0.218 151 A C 1.700 179.053 177.584 -0.384 0.000 1.169 151 A CA 0.977 52.895 52.037 -0.199 0.000 0.635 151 A CB -0.885 17.981 19.000 -0.224 0.000 0.810 151 A HN 0.575 nan 8.150 nan 0.000 0.445 152 F N -2.264 117.442 119.950 -0.407 0.000 2.710 152 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 152 F C 0.143 175.299 175.800 -1.073 0.000 1.137 152 F CA 0.582 58.151 58.000 -0.717 0.000 1.444 152 F CB -0.076 38.425 39.000 -0.832 0.000 1.111 152 F HN 0.234 nan 8.300 nan 0.000 0.580 153 Y N 0.346 120.522 120.300 -0.207 0.000 2.562 153 Y HA 0.271 4.821 4.550 -0.001 0.000 0.363 153 Y C -1.636 174.183 175.900 -0.135 0.000 0.991 153 Y CA -2.169 55.796 58.100 -0.226 0.000 1.121 153 Y CB 0.016 38.160 38.460 -0.525 0.000 1.159 153 Y HN -0.146 nan 8.280 nan 0.000 0.651 154 P HA -0.098 nan 4.420 nan 0.000 0.221 154 P C -0.045 177.283 177.300 0.046 0.000 1.150 154 P CA 1.106 64.199 63.100 -0.011 0.000 0.800 154 P CB 0.641 32.309 31.700 -0.054 0.000 0.787 163 A N 0.026 122.865 122.820 0.031 0.000 2.067 163 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 163 A C 1.736 179.348 177.584 0.047 0.000 1.156 163 A CA 1.627 53.685 52.037 0.035 0.000 0.683 163 A CB -0.523 18.498 19.000 0.036 0.000 0.808 163 A HN 0.270 nan 8.150 nan 0.000 0.455 164 N N -0.275 118.462 118.700 0.061 0.000 2.354 164 N HA -0.024 4.715 4.740 -0.001 0.000 0.179 164 N C 1.740 177.322 175.510 0.120 0.000 1.021 164 N CA 0.725 53.826 53.050 0.085 0.000 0.887 164 N CB -0.221 38.324 38.487 0.095 0.000 0.974 164 N HN 0.483 nan 8.380 nan 0.000 0.437 165 R N 0.620 121.197 120.500 0.128 0.000 2.073 165 R HA 0.005 4.345 4.340 -0.001 0.000 0.229 165 R C 1.233 177.637 176.300 0.174 0.000 1.120 165 R CA 1.025 57.257 56.100 0.221 0.000 0.967 165 R CB 0.046 30.394 30.300 0.081 0.000 0.862 165 R HN 0.104 nan 8.270 nan 0.000 0.436 166 D N 0.490 120.937 120.400 0.078 0.000 2.117 166 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 166 D C 1.756 178.053 176.300 -0.005 0.000 0.987 166 D CA 0.923 54.947 54.000 0.041 0.000 0.829 166 D CB -0.159 40.655 40.800 0.023 0.000 0.961 166 D HN 0.071 nan 8.370 nan 0.000 0.460 167 L N 0.749 121.962 121.223 -0.017 0.000 2.093 167 L HA -0.027 4.312 4.340 -0.001 0.000 0.208 167 L C 2.064 178.843 176.870 -0.153 0.000 1.085 167 L CA 1.592 56.371 54.840 -0.102 0.000 0.755 167 L CB -0.669 41.357 42.059 -0.056 0.000 0.904 167 L HN -0.040 nan 8.230 nan 0.000 0.435 168 A N -0.410 122.367 122.820 -0.071 0.000 1.898 168 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 168 A C 2.466 179.849 177.584 -0.335 0.000 1.181 168 A CA 1.710 53.641 52.037 -0.178 0.000 0.620 168 A CB -1.166 17.760 19.000 -0.123 0.000 0.819 168 A HN 0.561 nan 8.150 nan 0.000 0.442 169 A N -0.669 122.061 122.820 -0.150 0.000 1.877 169 A HA -0.148 4.171 4.320 -0.001 0.000 0.216 169 A C 2.186 179.678 177.584 -0.153 0.000 1.186 169 A CA 2.077 54.045 52.037 -0.115 0.000 0.620 169 A CB -0.508 18.521 19.000 0.047 0.000 0.822 169 A HN 0.428 nan 8.150 nan 0.000 0.443 170 M N -0.659 118.844 119.600 -0.161 0.000 2.159 170 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 170 M C 2.172 178.336 176.300 -0.228 0.000 1.063 170 M CA 1.361 56.540 55.300 -0.203 0.000 1.110 170 M CB -1.202 31.250 32.600 -0.245 0.000 1.374 170 M HN 0.415 nan 8.290 nan 0.000 0.411 171 R N 0.028 120.347 120.500 -0.301 0.000 2.075 171 R HA -0.057 4.283 4.340 -0.001 0.000 0.232 171 R C 2.307 178.516 176.300 -0.152 0.000 1.126 171 R CA 1.071 57.024 56.100 -0.245 0.000 0.963 171 R CB -0.437 29.697 30.300 -0.276 0.000 0.858 171 R HN 0.312 nan 8.270 nan 0.000 0.435 172 L N 0.349 121.407 121.223 -0.276 0.000 2.056 172 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 172 L C 2.313 179.129 176.870 -0.089 0.000 1.078 172 L CA 1.249 55.946 54.840 -0.239 0.000 0.749 172 L CB -0.259 41.548 42.059 -0.419 0.000 0.901 172 L HN 0.166 nan 8.230 nan 0.000 0.433 173 I N -0.486 120.047 120.570 -0.063 0.000 2.315 173 I HA -0.264 3.906 4.170 -0.001 0.000 0.248 173 I C 2.664 178.858 176.117 0.129 0.000 1.117 173 I CA 1.155 62.480 61.300 0.041 0.000 1.404 173 I CB -0.412 37.598 38.000 0.016 0.000 1.071 173 I HN 0.196 nan 8.210 nan 0.000 0.419 174 A N 0.575 123.429 122.820 0.055 0.000 1.968 174 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 174 A C 2.264 179.844 177.584 -0.006 0.000 1.169 174 A CA 1.252 53.334 52.037 0.075 0.000 0.638 174 A CB -0.219 18.819 19.000 0.064 0.000 0.812 174 A HN 0.313 nan 8.150 nan 0.000 0.446 175 K N -1.060 119.325 120.400 -0.026 0.000 2.211 175 K HA 0.156 4.475 4.320 -0.001 0.000 0.201 175 K C 1.667 178.199 176.600 -0.114 0.000 1.052 175 K CA 0.641 56.886 56.287 -0.071 0.000 0.973 175 K CB -0.155 32.339 32.500 -0.010 0.000 0.766 175 K HN 0.382 nan 8.250 nan 0.000 0.466 176 I N 2.289 122.809 120.570 -0.083 0.000 2.264 176 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 176 I C -1.418 174.580 176.117 -0.199 0.000 1.111 176 I CA 1.304 62.543 61.300 -0.101 0.000 1.382 176 I CB -0.311 37.657 38.000 -0.053 0.000 1.060 176 I HN 0.041 nan 8.210 nan 0.000 0.418 177 P HA -0.057 nan 4.420 nan 0.000 0.219 177 P C 1.618 178.792 177.300 -0.211 0.000 1.150 177 P CA 1.487 64.314 63.100 -0.456 0.000 0.814 177 P CB -0.130 31.159 31.700 -0.684 0.000 0.787 178 T N -0.339 114.042 114.554 -0.288 0.000 2.777 178 T HA -0.062 4.287 4.350 -0.001 0.000 0.266 178 T C 1.782 176.160 174.700 -0.537 0.000 1.040 178 T CA 1.025 62.840 62.100 -0.475 0.000 1.141 178 T CB -0.854 67.639 68.868 -0.625 0.000 0.868 178 T HN 0.060 nan 8.240 nan 0.000 0.444 179 I N 1.441 121.827 120.570 -0.308 0.000 2.179 179 I HA -0.174 3.995 4.170 -0.001 0.000 0.242 179 I C 2.962 179.098 176.117 0.032 0.000 1.088 179 I CA 1.111 62.369 61.300 -0.069 0.000 1.357 179 I CB -0.506 37.492 38.000 -0.003 0.000 1.051 179 I HN 0.195 nan 8.210 nan 0.000 0.409 180 A N 0.778 123.594 122.820 -0.005 0.000 1.902 180 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 180 A C 2.532 180.192 177.584 0.126 0.000 1.181 180 A CA 1.977 54.060 52.037 0.077 0.000 0.623 180 A CB -0.828 18.216 19.000 0.072 0.000 0.818 180 A HN 0.442 nan 8.150 nan 0.000 0.443 181 A N -1.622 121.270 122.820 0.119 0.000 1.898 181 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 181 A C 1.916 179.513 177.584 0.022 0.000 1.181 181 A CA 1.422 53.480 52.037 0.036 0.000 0.620 181 A CB -0.774 18.214 19.000 -0.020 0.000 0.819 181 A HN 0.700 nan 8.150 nan 0.000 0.442 182 W N -0.126 120.886 121.300 -0.480 0.000 2.363 182 W HA 0.021 4.680 4.660 -0.001 0.000 0.296 182 W C 2.748 178.780 176.519 -0.812 0.000 1.212 182 W CA 0.605 57.281 57.345 -1.115 0.000 1.260 182 W CB -0.976 27.441 29.460 -1.738 0.000 1.131 182 W HN 0.420 nan 8.180 nan 0.000 0.530 183 A N -0.751 122.039 122.820 -0.050 0.000 1.902 183 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 183 A C 1.898 179.558 177.584 0.127 0.000 1.181 183 A CA 1.733 53.872 52.037 0.171 0.000 0.623 183 A CB -1.449 17.660 19.000 0.181 0.000 0.818 183 A HN 0.323 nan 8.150 nan 0.000 0.443 184 Y N 0.873 121.151 120.300 -0.037 0.000 2.114 184 Y HA -0.201 4.349 4.550 -0.001 0.000 0.284 184 Y C 2.163 178.044 175.900 -0.032 0.000 1.143 184 Y CA 2.199 60.261 58.100 -0.064 0.000 1.135 184 Y CB -0.223 38.145 38.460 -0.153 0.000 0.980 184 Y HN 0.124 nan 8.280 nan 0.000 0.499 185 K N -0.339 119.934 120.400 -0.212 0.000 2.074 185 K HA -0.264 4.055 4.320 -0.001 0.000 0.209 185 K C 2.069 178.628 176.600 -0.067 0.000 1.048 185 K CA 1.894 58.052 56.287 -0.215 0.000 0.926 185 K CB -1.368 31.128 32.500 -0.007 0.000 0.713 185 K HN 0.533 nan 8.250 nan 0.000 0.444 186 Y N 2.260 122.569 120.300 0.015 0.000 2.145 186 Y HA -0.273 4.276 4.550 -0.001 0.000 0.286 186 Y C 2.475 178.363 175.900 -0.021 0.000 1.145 186 Y CA 2.554 60.715 58.100 0.102 0.000 1.148 186 Y CB -0.660 37.941 38.460 0.235 0.000 0.981 186 Y HN 0.293 nan 8.280 nan 0.000 0.507 187 T N -2.195 112.349 114.554 -0.017 0.000 2.881 187 T HA -0.176 4.174 4.350 -0.001 0.000 0.270 187 T C 1.442 176.006 174.700 -0.227 0.000 1.068 187 T CA 1.426 63.461 62.100 -0.109 0.000 1.131 187 T CB -0.230 68.609 68.868 -0.047 0.000 0.871 187 T HN 0.341 nan 8.240 nan 0.000 0.479 188 Q N 0.684 120.288 119.800 -0.328 0.000 2.392 188 Q HA 0.281 4.620 4.340 -0.001 0.000 0.203 188 Q C 1.813 177.666 176.000 -0.244 0.000 0.917 188 Q CA 0.706 56.324 55.803 -0.308 0.000 0.939 188 Q CB 0.086 28.556 28.738 -0.445 0.000 1.063 188 Q HN 0.803 nan 8.270 nan 0.000 0.516 189 G N 1.612 110.247 108.800 -0.275 0.000 2.160 189 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.251 189 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.251 189 G C -0.251 174.523 174.900 -0.210 0.000 1.008 189 G CA 0.347 45.294 45.100 -0.256 0.000 0.724 189 G HN 0.357 nan 8.290 nan 0.000 0.514 190 E N -0.088 119.991 120.200 -0.202 0.000 2.222 190 E HA 0.654 5.004 4.350 -0.001 0.000 0.272 190 E C 0.729 177.231 176.600 -0.162 0.000 0.982 190 E CA -0.317 55.987 56.400 -0.160 0.000 0.842 190 E CB 1.366 30.980 29.700 -0.144 0.000 1.144 190 E HN 0.614 nan 8.360 nan 0.000 0.397 191 A N 2.663 125.388 122.820 -0.157 0.000 2.498 191 A HA 0.132 4.451 4.320 -0.001 0.000 0.239 191 A C -0.318 177.197 177.584 -0.116 0.000 1.068 191 A CA 0.008 51.922 52.037 -0.205 0.000 0.766 191 A CB -0.136 18.780 19.000 -0.141 0.000 1.003 191 A HN 0.574 nan 8.150 nan 0.000 0.497 192 F N 1.835 121.504 119.950 -0.469 0.000 2.529 192 F HA 0.149 4.675 4.527 -0.001 0.000 0.365 192 F C 0.531 176.065 175.800 -0.443 0.000 1.102 192 F CA -0.335 57.212 58.000 -0.755 0.000 1.271 192 F CB 0.548 38.567 39.000 -1.635 0.000 1.120 192 F HN 0.278 nan 8.300 nan 0.000 0.579 193 I N 4.189 124.732 120.570 -0.045 0.000 2.377 193 I HA 0.206 4.375 4.170 -0.001 0.000 0.293 193 I C -0.176 176.051 176.117 0.184 0.000 0.987 193 I CA -1.017 60.331 61.300 0.080 0.000 1.185 193 I CB 1.080 39.100 38.000 0.032 0.000 1.341 193 I HN 0.428 nan 8.210 nan 0.000 0.455 194 Y N 6.676 127.127 120.300 0.251 0.000 2.301 194 Y HA 0.268 4.817 4.550 -0.001 0.000 0.328 194 Y C -1.575 174.398 175.900 0.121 0.000 1.242 194 Y CA -1.464 56.789 58.100 0.256 0.000 1.323 194 Y CB 0.082 38.661 38.460 0.197 0.000 1.266 194 Y HN 0.387 nan 8.280 nan 0.000 0.527 195 P HA 0.175 nan 4.420 nan 0.000 0.272 195 P C -1.076 176.294 177.300 0.117 0.000 1.223 195 P CA -0.225 62.930 63.100 0.091 0.000 0.784 195 P CB 0.852 32.564 31.700 0.019 0.000 0.923 196 R N 1.864 122.414 120.500 0.083 0.000 2.437 196 R HA 0.255 4.594 4.340 -0.001 0.000 0.310 196 R C 1.046 177.383 176.300 0.062 0.000 0.955 196 R CA -0.647 55.500 56.100 0.080 0.000 0.851 196 R CB 0.884 31.237 30.300 0.088 0.000 1.161 196 R HN 0.348 nan 8.270 nan 0.000 0.446 197 N N 1.584 120.315 118.700 0.051 0.000 2.381 197 N HA -0.152 4.587 4.740 -0.001 0.000 0.182 197 N C 0.678 176.217 175.510 0.050 0.000 1.025 197 N CA 1.082 54.157 53.050 0.042 0.000 0.888 197 N CB 0.091 38.595 38.487 0.027 0.000 0.965 197 N HN 0.628 nan 8.380 nan 0.000 0.438 198 D N -0.276 120.157 120.400 0.055 0.000 2.349 198 D HA -0.031 4.609 4.640 -0.001 0.000 0.224 198 D C 0.277 176.620 176.300 0.072 0.000 1.029 198 D CA 0.113 54.149 54.000 0.059 0.000 0.879 198 D CB -0.095 40.737 40.800 0.054 0.000 0.906 198 D HN 0.166 nan 8.370 nan 0.000 0.528 199 L N 1.163 122.434 121.223 0.079 0.000 2.334 199 L HA 0.311 4.650 4.340 -0.001 0.000 0.273 199 L C 0.340 177.274 176.870 0.106 0.000 1.013 199 L CA -1.286 53.611 54.840 0.094 0.000 0.816 199 L CB 1.521 43.639 42.059 0.098 0.000 1.278 199 L HN -0.080 nan 8.230 nan 0.000 0.431 200 N N 0.162 118.939 118.700 0.129 0.000 2.327 200 N HA -0.038 4.702 4.740 -0.001 0.000 0.257 200 N C 0.774 176.404 175.510 0.200 0.000 1.281 200 N CA -0.218 52.935 53.050 0.172 0.000 0.942 200 N CB 0.278 38.882 38.487 0.194 0.000 1.199 200 N HN 0.506 nan 8.380 nan 0.000 0.532 201 Y N -0.561 119.804 120.300 0.108 0.000 2.069 201 Y HA -0.269 4.281 4.550 -0.001 0.000 0.278 201 Y C 2.475 178.413 175.900 0.062 0.000 1.175 201 Y CA 3.015 61.164 58.100 0.080 0.000 1.134 201 Y CB -0.762 37.775 38.460 0.129 0.000 0.965 201 Y HN 0.690 nan 8.280 nan 0.000 0.498 202 A N -0.294 122.665 122.820 0.231 0.000 1.898 202 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 202 A C 2.070 179.737 177.584 0.138 0.000 1.181 202 A CA 1.809 53.938 52.037 0.153 0.000 0.620 202 A CB -0.687 18.403 19.000 0.151 0.000 0.819 202 A HN 0.607 nan 8.150 nan 0.000 0.442 203 E N -0.319 119.963 120.200 0.137 0.000 2.077 203 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 203 E C 2.021 178.693 176.600 0.119 0.000 0.989 203 E CA 1.062 57.543 56.400 0.136 0.000 0.800 203 E CB -0.267 29.511 29.700 0.130 0.000 0.746 203 E HN 0.724 nan 8.360 nan 0.000 0.452 204 N N 0.068 118.819 118.700 0.085 0.000 2.166 204 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 204 N C 1.801 177.326 175.510 0.024 0.000 1.019 204 N CA 0.674 53.751 53.050 0.044 0.000 0.856 204 N CB -0.050 38.441 38.487 0.007 0.000 0.993 204 N HN 0.047 nan 8.380 nan 0.000 0.426 205 F N 1.993 121.832 119.950 -0.185 0.000 2.134 205 F HA -0.015 4.512 4.527 -0.001 0.000 0.299 205 F C 2.081 177.762 175.800 -0.199 0.000 1.097 205 F CA 0.853 58.708 58.000 -0.241 0.000 1.264 205 F CB -0.552 38.271 39.000 -0.294 0.000 1.001 205 F HN -0.005 nan 8.300 nan 0.000 0.479 206 L N -0.969 120.167 121.223 -0.146 0.000 2.046 206 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 206 L C 2.776 179.518 176.870 -0.214 0.000 1.077 206 L CA 1.560 56.330 54.840 -0.117 0.000 0.747 206 L CB -0.988 41.192 42.059 0.201 0.000 0.896 206 L HN 0.202 nan 8.230 nan 0.000 0.432 207 S N -0.075 115.546 115.700 -0.132 0.000 2.356 207 S HA -0.214 4.256 4.470 -0.001 0.000 0.223 207 S C 2.079 176.449 174.600 -0.384 0.000 1.032 207 S CA 1.361 59.358 58.200 -0.338 0.000 1.005 207 S CB -0.136 63.064 63.200 0.001 0.000 0.867 207 S HN 0.286 nan 8.310 nan 0.000 0.449 208 M N 0.037 119.490 119.600 -0.243 0.000 2.213 208 M HA -0.067 4.413 4.480 -0.001 0.000 0.263 208 M C 2.362 178.478 176.300 -0.308 0.000 1.062 208 M CA 1.448 56.636 55.300 -0.187 0.000 1.105 208 M CB -0.352 32.194 32.600 -0.091 0.000 1.385 208 M HN 0.426 nan 8.290 nan 0.000 0.417 209 M N -1.431 117.806 119.600 -0.605 0.000 2.287 209 M HA -0.039 4.440 4.480 -0.001 0.000 0.266 209 M C 1.100 176.973 176.300 -0.711 0.000 1.079 209 M CA 1.558 56.372 55.300 -0.810 0.000 1.146 209 M CB 0.185 31.838 32.600 -1.578 0.000 1.374 209 M HN 0.184 nan 8.290 nan 0.000 0.435 210 F N -0.641 119.112 119.950 -0.330 0.000 2.724 210 F HA 0.370 4.897 4.527 -0.001 0.000 0.306 210 F C 1.160 176.728 175.800 -0.387 0.000 1.100 210 F CA -0.845 56.986 58.000 -0.282 0.000 1.255 210 F CB 0.031 38.921 39.000 -0.183 0.000 1.072 210 F HN -0.103 nan 8.300 nan 0.000 0.589 211 A N 2.012 124.543 122.820 -0.482 0.000 2.483 211 A HA 0.467 4.787 4.320 -0.001 0.000 0.238 211 A C 0.276 177.849 177.584 -0.019 0.000 1.070 211 A CA -0.127 51.759 52.037 -0.253 0.000 0.770 211 A CB 0.241 19.116 19.000 -0.207 0.000 1.008 211 A HN 0.367 nan 8.150 nan 0.000 0.497 212 R N 2.179 122.721 120.500 0.070 0.000 2.832 212 R HA 0.457 4.797 4.340 -0.001 0.000 0.271 212 R C 0.157 176.486 176.300 0.048 0.000 0.996 212 R CA -1.069 55.063 56.100 0.053 0.000 0.977 212 R CB 0.918 31.260 30.300 0.070 0.000 1.168 212 R HN 0.658 nan 8.270 nan 0.000 0.482 213 M N 0.981 120.595 119.600 0.023 0.000 2.619 213 M HA -0.032 4.447 4.480 -0.001 0.000 0.251 213 M C 1.271 177.585 176.300 0.023 0.000 1.106 213 M CA 1.137 56.449 55.300 0.020 0.000 1.086 213 M CB -0.583 32.015 32.600 -0.003 0.000 1.465 213 M HN 0.687 nan 8.290 nan 0.000 0.506 214 S N -0.049 115.668 115.700 0.027 0.000 2.535 214 S HA 0.132 4.601 4.470 -0.001 0.000 0.214 214 S C 0.328 174.948 174.600 0.033 0.000 0.980 214 S CA -0.451 57.764 58.200 0.024 0.000 0.907 214 S CB -0.014 63.196 63.200 0.017 0.000 0.790 214 S HN 0.642 nan 8.310 nan 0.000 0.510 215 E N -0.052 120.179 120.200 0.051 0.000 2.388 215 E HA 0.463 4.812 4.350 -0.001 0.000 0.281 215 E C -3.418 173.232 176.600 0.083 0.000 1.046 215 E CA -2.160 54.273 56.400 0.056 0.000 0.825 215 E CB 0.051 29.781 29.700 0.050 0.000 1.243 215 E HN -0.017 nan 8.360 nan 0.000 0.438 216 P HA 0.035 nan 4.420 nan 0.000 0.271 216 P C -1.330 176.052 177.300 0.136 0.000 1.216 216 P CA -0.033 63.125 63.100 0.097 0.000 0.771 216 P CB 0.088 31.825 31.700 0.061 0.000 0.864 217 Y N 2.950 123.275 120.300 0.041 0.000 2.335 217 Y HA 0.229 4.778 4.550 -0.001 0.000 0.331 217 Y C 0.312 176.236 175.900 0.040 0.000 1.094 217 Y CA -0.064 58.064 58.100 0.046 0.000 1.253 217 Y CB 0.946 39.445 38.460 0.064 0.000 1.203 217 Y HN 0.203 nan 8.280 nan 0.000 0.508 218 K N 6.013 126.089 120.400 -0.539 0.000 2.293 218 K HA 0.388 4.707 4.320 -0.001 0.000 0.267 218 K C -1.180 175.025 176.600 -0.657 0.000 1.010 218 K CA -0.863 55.179 56.287 -0.408 0.000 0.875 218 K CB 1.622 33.980 32.500 -0.238 0.000 1.106 218 K HN 0.420 nan 8.250 nan 0.000 0.450 219 V N 3.414 123.121 119.914 -0.345 0.000 2.521 219 V HA -0.041 4.079 4.120 -0.001 0.000 0.286 219 V C 0.526 176.544 176.094 -0.126 0.000 1.034 219 V CA -0.419 61.775 62.300 -0.177 0.000 1.045 219 V CB 0.373 32.233 31.823 0.061 0.000 0.974 219 V HN 0.687 nan 8.190 nan 0.000 0.480 220 N N 7.331 125.968 118.700 -0.106 0.000 2.411 220 N HA 0.201 4.940 4.740 -0.001 0.000 0.259 220 N C -1.636 173.865 175.510 -0.015 0.000 1.103 220 N CA -1.925 51.084 53.050 -0.067 0.000 0.954 220 N CB 1.790 40.237 38.487 -0.067 0.000 1.085 220 N HN 0.257 nan 8.380 nan 0.000 0.485 221 P HA -0.152 nan 4.420 nan 0.000 0.216 221 P C 1.393 178.701 177.300 0.015 0.000 1.150 221 P CA 0.731 63.838 63.100 0.010 0.000 0.843 221 P CB 0.424 32.127 31.700 0.005 0.000 0.787 222 V N -0.528 119.388 119.914 0.002 0.000 2.343 222 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 222 V C 2.408 178.510 176.094 0.012 0.000 1.051 222 V CA 1.658 63.960 62.300 0.003 0.000 1.036 222 V CB -1.175 30.643 31.823 -0.008 0.000 0.654 222 V HN 0.093 nan 8.190 nan 0.000 0.451 223 L N -0.095 121.137 121.223 0.014 0.000 2.093 223 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 223 L C 2.761 179.665 176.870 0.057 0.000 1.085 223 L CA 1.399 56.258 54.840 0.031 0.000 0.755 223 L CB -0.925 41.155 42.059 0.035 0.000 0.904 223 L HN 0.358 nan 8.230 nan 0.000 0.435 224 A N 0.433 123.291 122.820 0.064 0.000 1.877 224 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 224 A C 2.420 180.049 177.584 0.074 0.000 1.186 224 A CA 1.520 53.606 52.037 0.082 0.000 0.620 224 A CB -0.480 18.569 19.000 0.081 0.000 0.822 224 A HN 0.306 nan 8.150 nan 0.000 0.443 225 R N -0.688 119.845 120.500 0.056 0.000 2.081 225 R HA -0.073 4.267 4.340 -0.001 0.000 0.235 225 R C 2.498 178.827 176.300 0.049 0.000 1.131 225 R CA 1.161 57.291 56.100 0.051 0.000 0.960 225 R CB -0.440 29.880 30.300 0.034 0.000 0.856 225 R HN 0.529 nan 8.270 nan 0.000 0.436 226 A N 1.000 123.844 122.820 0.039 0.000 1.877 226 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 226 A C 2.113 179.723 177.584 0.044 0.000 1.186 226 A CA 1.449 53.505 52.037 0.032 0.000 0.620 226 A CB -0.403 18.608 19.000 0.018 0.000 0.822 226 A HN 0.223 nan 8.150 nan 0.000 0.443 227 M N 0.624 120.259 119.600 0.059 0.000 2.108 227 M HA -0.166 4.314 4.480 -0.001 0.000 0.261 227 M C 1.690 178.028 176.300 0.064 0.000 1.066 227 M CA 2.305 57.646 55.300 0.068 0.000 1.107 227 M CB -0.935 31.724 32.600 0.099 0.000 1.356 227 M HN 0.525 nan 8.290 nan 0.000 0.406 228 N N -0.352 118.400 118.700 0.087 0.000 2.069 228 N HA -0.217 4.523 4.740 -0.001 0.000 0.191 228 N C 1.949 177.538 175.510 0.131 0.000 1.031 228 N CA 1.913 55.036 53.050 0.121 0.000 0.852 228 N CB -0.226 38.338 38.487 0.129 0.000 1.018 228 N HN 0.461 nan 8.380 nan 0.000 0.423 229 R N -0.051 120.505 120.500 0.094 0.000 2.075 229 R HA 0.041 4.380 4.340 -0.001 0.000 0.232 229 R C 2.121 178.479 176.300 0.097 0.000 1.126 229 R CA 1.098 57.251 56.100 0.088 0.000 0.963 229 R CB -0.215 30.116 30.300 0.052 0.000 0.858 229 R HN 0.325 nan 8.270 nan 0.000 0.435 230 I N 0.814 121.433 120.570 0.081 0.000 2.286 230 I HA -0.302 3.867 4.170 -0.001 0.000 0.248 230 I C 2.077 178.286 176.117 0.153 0.000 1.115 230 I CA 1.121 62.486 61.300 0.108 0.000 1.392 230 I CB -0.142 37.882 38.000 0.040 0.000 1.065 230 I HN 0.242 nan 8.210 nan 0.000 0.418 231 L N 0.266 121.523 121.223 0.056 0.000 2.046 231 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 231 L C 2.507 179.592 176.870 0.358 0.000 1.077 231 L CA 1.486 56.309 54.840 -0.029 0.000 0.747 231 L CB -0.439 41.242 42.059 -0.630 0.000 0.896 231 L HN 0.201 nan 8.230 nan 0.000 0.432 232 I N -0.235 120.581 120.570 0.410 0.000 2.179 232 I HA -0.324 3.846 4.170 -0.001 0.000 0.242 232 I C 2.362 178.580 176.117 0.168 0.000 1.088 232 I CA 1.401 62.875 61.300 0.289 0.000 1.357 232 I CB -0.229 37.884 38.000 0.188 0.000 1.051 232 I HN 0.224 nan 8.210 nan 0.000 0.409 233 L N -0.394 120.900 121.223 0.118 0.000 2.265 233 L HA -0.216 4.124 4.340 -0.001 0.000 0.215 233 L C 1.701 178.467 176.870 -0.173 0.000 1.117 233 L CA 1.272 56.101 54.840 -0.019 0.000 0.782 233 L CB -0.606 41.391 42.059 -0.104 0.000 0.914 233 L HN 0.369 nan 8.230 nan 0.000 0.441 234 H N -2.014 117.026 119.070 -0.050 0.000 2.755 234 H HA 0.264 4.820 4.556 -0.001 0.000 0.273 234 H C 1.975 177.315 175.328 0.020 0.000 1.055 234 H CA 0.417 56.384 56.048 -0.136 0.000 1.191 234 H CB 0.370 29.913 29.762 -0.366 0.000 1.536 234 H HN 0.171 nan 8.280 nan 0.000 0.529 235 A N 0.320 123.228 122.820 0.148 0.000 1.892 235 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 235 A C 0.587 178.157 177.584 -0.023 0.000 1.188 235 A CA 2.081 54.151 52.037 0.055 0.000 0.631 235 A CB -0.086 18.878 19.000 -0.061 0.000 0.822 235 A HN 0.485 nan 8.150 nan 0.000 0.447 236 D N -4.846 115.564 120.400 0.017 0.000 2.717 236 D HA 0.406 5.046 4.640 -0.001 0.000 0.223 236 D C -0.960 175.553 176.300 0.356 0.000 1.240 236 D CA -0.529 53.532 54.000 0.103 0.000 0.801 236 D CB 0.777 41.563 40.800 -0.023 0.000 1.556 236 D HN 0.181 nan 8.370 nan 0.000 0.462 237 H N 3.503 122.704 119.070 0.219 0.000 2.947 237 H HA 0.183 4.738 4.556 -0.001 0.000 0.222 237 H C 0.056 175.487 175.328 0.172 0.000 1.414 237 H CA -0.124 56.064 56.048 0.234 0.000 1.224 237 H CB 0.214 30.142 29.762 0.276 0.000 2.100 237 H HN 0.715 nan 8.280 nan 0.000 0.524 238 E N 0.324 120.564 120.200 0.066 0.000 3.365 238 E HA -0.241 4.109 4.350 -0.001 0.000 0.286 238 E C -0.370 176.270 176.600 0.066 0.000 1.466 238 E CA 1.096 57.500 56.400 0.008 0.000 1.995 238 E CB -0.386 29.221 29.700 -0.156 0.000 1.981 238 E HN 0.466 nan 8.360 nan 0.000 0.495 239 Q N 1.453 121.265 119.800 0.019 0.000 2.938 239 Q HA 0.131 4.471 4.340 -0.001 0.000 0.343 239 Q C -0.180 175.847 176.000 0.044 0.000 1.185 239 Q CA 0.462 56.285 55.803 0.034 0.000 0.939 239 Q CB -1.167 27.564 28.738 -0.012 0.000 1.480 239 Q HN 0.329 nan 8.270 nan 0.000 0.442 240 N N -1.149 117.622 118.700 0.117 0.000 2.288 240 N HA 0.151 4.891 4.740 -0.001 0.000 0.237 240 N C 1.109 176.630 175.510 0.017 0.000 1.311 240 N CA 0.343 53.442 53.050 0.082 0.000 0.909 240 N CB 0.533 39.174 38.487 0.256 0.000 1.167 240 N HN 0.019 nan 8.380 nan 0.000 0.476 241 A N 0.117 122.821 122.820 -0.193 0.000 1.908 241 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 241 A C 2.244 179.877 177.584 0.081 0.000 1.181 241 A CA 2.242 54.205 52.037 -0.124 0.000 0.627 241 A CB -1.624 17.218 19.000 -0.264 0.000 0.818 241 A HN 0.830 nan 8.150 nan 0.000 0.445 242 S N -1.272 114.651 115.700 0.370 0.000 2.355 242 S HA -0.147 4.322 4.470 -0.001 0.000 0.222 242 S C 1.880 176.580 174.600 0.165 0.000 1.031 242 S CA 1.891 60.292 58.200 0.335 0.000 0.993 242 S CB -1.251 62.308 63.200 0.598 0.000 0.859 242 S HN 0.454 nan 8.310 nan 0.000 0.453 243 T N 2.249 117.031 114.554 0.380 0.000 2.788 243 T HA -0.014 4.336 4.350 -0.001 0.000 0.268 243 T C 2.089 176.855 174.700 0.109 0.000 1.044 243 T CA 1.561 63.847 62.100 0.310 0.000 1.139 243 T CB -0.578 68.509 68.868 0.365 0.000 0.867 243 T HN 0.508 nan 8.240 nan 0.000 0.454 244 S N 0.801 116.540 115.700 0.065 0.000 2.383 244 S HA -0.087 4.383 4.470 -0.001 0.000 0.227 244 S C 2.340 176.915 174.600 -0.041 0.000 1.026 244 S CA 1.197 59.387 58.200 -0.016 0.000 0.981 244 S CB -0.444 62.722 63.200 -0.058 0.000 0.818 244 S HN 0.530 nan 8.310 nan 0.000 0.472 245 T N 1.901 116.430 114.554 -0.041 0.000 2.777 245 T HA -0.020 4.329 4.350 -0.001 0.000 0.266 245 T C 1.945 176.588 174.700 -0.095 0.000 1.040 245 T CA 0.992 63.051 62.100 -0.068 0.000 1.141 245 T CB -0.342 68.479 68.868 -0.078 0.000 0.868 245 T HN 0.174 nan 8.240 nan 0.000 0.444 246 V N 1.448 121.276 119.914 -0.142 0.000 2.343 246 V HA -0.177 3.942 4.120 -0.001 0.000 0.247 246 V C 2.643 178.746 176.094 0.014 0.000 1.051 246 V CA 1.657 63.876 62.300 -0.136 0.000 1.036 246 V CB -0.526 31.175 31.823 -0.202 0.000 0.654 246 V HN 0.366 nan 8.190 nan 0.000 0.451 247 R N -0.742 119.779 120.500 0.034 0.000 2.075 247 R HA -0.088 4.252 4.340 -0.001 0.000 0.232 247 R C 2.332 178.645 176.300 0.021 0.000 1.126 247 R CA 1.387 57.519 56.100 0.053 0.000 0.963 247 R CB -0.364 29.947 30.300 0.018 0.000 0.858 247 R HN 0.412 nan 8.270 nan 0.000 0.435 248 L N 0.072 121.285 121.223 -0.017 0.000 2.027 248 L HA -0.149 4.190 4.340 -0.001 0.000 0.206 248 L C 2.454 179.323 176.870 -0.002 0.000 1.074 248 L CA 1.372 56.196 54.840 -0.027 0.000 0.745 248 L CB -0.353 41.677 42.059 -0.048 0.000 0.898 248 L HN 0.221 nan 8.230 nan 0.000 0.433 249 A N -0.405 122.412 122.820 -0.005 0.000 1.902 249 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 249 A C 2.251 179.863 177.584 0.047 0.000 1.181 249 A CA 1.627 53.665 52.037 0.002 0.000 0.623 249 A CB -1.323 17.658 19.000 -0.031 0.000 0.818 249 A HN 0.518 nan 8.150 nan 0.000 0.443 250 G N -0.121 108.740 108.800 0.101 0.000 2.443 250 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.219 250 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.219 250 G C 1.803 176.799 174.900 0.161 0.000 1.131 250 G CA 1.501 46.742 45.100 0.234 0.000 0.775 250 G HN 0.882 nan 8.290 nan 0.000 0.547 251 S N 0.751 116.497 115.700 0.076 0.000 2.500 251 S HA -0.125 4.344 4.470 -0.001 0.000 0.239 251 S C 2.135 176.753 174.600 0.030 0.000 0.989 251 S CA 1.834 60.052 58.200 0.030 0.000 0.951 251 S CB -0.651 62.549 63.200 0.000 0.000 0.759 251 S HN 0.473 nan 8.310 nan 0.000 0.523 252 T N -3.140 111.440 114.554 0.044 0.000 3.129 252 T HA 0.478 4.827 4.350 -0.001 0.000 0.251 252 T C 1.525 176.256 174.700 0.052 0.000 1.117 252 T CA 0.583 62.705 62.100 0.036 0.000 1.034 252 T CB -0.271 68.614 68.868 0.029 0.000 0.968 252 T HN 1.228 nan 8.240 nan 0.000 0.526 253 G N 1.037 109.887 108.800 0.084 0.000 2.141 253 G HA2 0.015 3.974 3.960 -0.001 0.000 0.231 253 G HA3 0.015 3.974 3.960 -0.001 0.000 0.231 253 G C 0.270 175.246 174.900 0.127 0.000 0.984 253 G CA -0.166 44.998 45.100 0.107 0.000 0.660 253 G HN 1.131 nan 8.290 nan 0.000 0.525 254 A N 0.033 122.923 122.820 0.117 0.000 2.445 254 A HA 0.521 4.840 4.320 -0.001 0.000 0.242 254 A C 0.883 178.521 177.584 0.091 0.000 1.075 254 A CA 0.332 52.419 52.037 0.084 0.000 0.777 254 A CB 0.228 19.255 19.000 0.045 0.000 1.013 254 A HN 0.762 nan 8.150 nan 0.000 0.493 255 N N 2.450 121.186 118.700 0.061 0.000 2.294 255 N HA -0.039 4.701 4.740 -0.001 0.000 0.263 255 N C -1.301 174.168 175.510 -0.068 0.000 1.281 255 N CA -0.767 52.319 53.050 0.060 0.000 0.846 255 N CB 0.870 39.408 38.487 0.085 0.000 1.061 255 N HN 0.366 nan 8.380 nan 0.000 0.478 256 P HA -0.140 nan 4.420 nan 0.000 0.219 256 P C 1.145 178.125 177.300 -0.533 0.000 1.146 256 P CA 1.288 63.900 63.100 -0.812 0.000 0.808 256 P CB -0.036 30.681 31.700 -1.639 0.000 0.779 257 F N 1.085 120.856 119.950 -0.297 0.000 2.186 257 F HA -0.021 4.505 4.527 -0.001 0.000 0.299 257 F C 2.755 178.455 175.800 -0.166 0.000 1.090 257 F CA 1.280 59.167 58.000 -0.188 0.000 1.307 257 F CB -1.499 37.458 39.000 -0.071 0.000 1.019 257 F HN -0.050 nan 8.300 nan 0.000 0.489 258 A N -1.112 121.731 122.820 0.038 0.000 1.968 258 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 258 A C 2.217 179.737 177.584 -0.106 0.000 1.169 258 A CA 1.496 53.516 52.037 -0.028 0.000 0.638 258 A CB -1.431 17.561 19.000 -0.012 0.000 0.812 258 A HN 0.472 nan 8.150 nan 0.000 0.446 259 C N -0.364 118.835 119.300 -0.169 0.000 2.440 259 C HA -0.051 4.409 4.460 -0.001 0.000 0.278 259 C C 2.438 177.251 174.990 -0.296 0.000 1.295 259 C CA 0.569 59.458 59.018 -0.215 0.000 1.738 259 C CB -1.026 26.561 27.740 -0.255 0.000 1.987 259 C HN 0.567 nan 8.230 nan 0.000 0.492 260 I N 1.689 122.075 120.570 -0.308 0.000 2.394 260 I HA -0.106 4.064 4.170 -0.001 0.000 0.251 260 I C 2.716 178.631 176.117 -0.337 0.000 1.136 260 I CA 1.646 62.740 61.300 -0.343 0.000 1.425 260 I CB -1.682 36.209 38.000 -0.182 0.000 1.079 260 I HN 0.249 nan 8.210 nan 0.000 0.425 261 A N 0.855 123.556 122.820 -0.200 0.000 1.972 261 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 261 A C 2.569 180.044 177.584 -0.182 0.000 1.169 261 A CA 1.721 53.668 52.037 -0.150 0.000 0.635 261 A CB -0.619 18.328 19.000 -0.087 0.000 0.810 261 A HN 0.389 nan 8.150 nan 0.000 0.446 262 A N -0.403 122.292 122.820 -0.208 0.000 1.902 262 A HA 0.132 4.452 4.320 -0.001 0.000 0.217 262 A C 2.396 179.809 177.584 -0.285 0.000 1.181 262 A CA 1.866 53.791 52.037 -0.187 0.000 0.623 262 A CB -1.330 17.573 19.000 -0.160 0.000 0.818 262 A HN 0.698 nan 8.150 nan 0.000 0.443 263 G N 0.000 108.468 108.800 -0.554 0.000 2.418 263 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.217 263 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.217 263 G C 1.513 176.010 174.900 -0.673 0.000 1.158 263 G CA 1.084 45.639 45.100 -0.910 0.000 0.771 263 G HN 0.478 nan 8.290 nan 0.000 0.545 264 I N 1.392 121.641 120.570 -0.534 0.000 2.226 264 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 264 I C 3.291 179.418 176.117 0.018 0.000 1.100 264 I CA 0.934 62.172 61.300 -0.103 0.000 1.374 264 I CB -0.213 37.753 38.000 -0.055 0.000 1.057 264 I HN 0.246 nan 8.210 nan 0.000 0.413 265 A N 0.837 123.660 122.820 0.005 0.000 1.883 265 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 265 A C 2.560 180.236 177.584 0.154 0.000 1.186 265 A CA 2.051 54.173 52.037 0.142 0.000 0.624 265 A CB -0.943 18.103 19.000 0.076 0.000 0.822 265 A HN 0.432 nan 8.150 nan 0.000 0.444 266 A N -0.752 122.109 122.820 0.069 0.000 1.902 266 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 266 A C 2.133 179.851 177.584 0.223 0.000 1.181 266 A CA 1.713 53.827 52.037 0.128 0.000 0.623 266 A CB -0.635 18.426 19.000 0.103 0.000 0.818 266 A HN 0.669 nan 8.150 nan 0.000 0.443 267 L N -1.593 119.719 121.223 0.149 0.000 2.131 267 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 267 L C 2.124 179.024 176.870 0.050 0.000 1.092 267 L CA 1.651 56.442 54.840 -0.081 0.000 0.759 267 L CB -0.524 41.491 42.059 -0.074 0.000 0.903 267 L HN 0.658 nan 8.230 nan 0.000 0.435 268 W N 1.228 122.501 121.300 -0.044 0.000 2.392 268 W HA 0.035 4.694 4.660 -0.001 0.000 0.279 268 W C 1.397 177.910 176.519 -0.009 0.000 1.225 268 W CA 0.615 57.939 57.345 -0.035 0.000 1.233 268 W CB -1.114 28.318 29.460 -0.046 0.000 1.122 268 W HN 0.177 nan 8.180 nan 0.000 0.561 269 G N 1.823 110.710 108.800 0.145 0.000 2.414 269 G HA2 0.005 3.964 3.960 -0.001 0.000 0.236 269 G HA3 0.005 3.964 3.960 -0.001 0.000 0.236 269 G C -1.304 173.658 174.900 0.104 0.000 1.293 269 G CA -0.313 44.813 45.100 0.044 0.000 0.869 269 G HN 0.105 nan 8.290 nan 0.000 0.556 270 P HA -0.090 nan 4.420 nan 0.000 0.225 270 P C 1.465 178.856 177.300 0.150 0.000 1.148 270 P CA 1.339 64.508 63.100 0.114 0.000 0.779 270 P CB 0.340 32.084 31.700 0.075 0.000 0.780 271 A N -1.929 120.972 122.820 0.135 0.000 2.169 271 A HA -0.040 4.279 4.320 -0.001 0.000 0.212 271 A C 1.690 179.392 177.584 0.198 0.000 1.153 271 A CA 0.793 52.914 52.037 0.140 0.000 0.756 271 A CB -0.823 18.228 19.000 0.085 0.000 0.813 271 A HN 0.200 nan 8.150 nan 0.000 0.471 272 H N -1.680 117.448 119.070 0.095 0.000 3.980 272 H HA 0.465 5.020 4.556 -0.001 0.000 0.225 272 H C 1.991 177.391 175.328 0.120 0.000 1.531 272 H CA 0.407 56.510 56.048 0.092 0.000 1.357 272 H CB -0.341 29.455 29.762 0.057 0.000 0.873 272 H HN 0.042 nan 8.280 nan 0.000 0.645 273 G N -0.714 107.982 108.800 -0.175 0.000 2.462 273 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.220 273 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.220 273 G C 1.514 176.509 174.900 0.159 0.000 1.121 273 G CA 0.781 45.742 45.100 -0.232 0.000 0.758 273 G HN 0.623 nan 8.290 nan 0.000 0.559 274 G N 0.732 109.641 108.800 0.182 0.000 2.535 274 G HA2 0.110 4.069 3.960 -0.001 0.000 0.218 274 G HA3 0.110 4.069 3.960 -0.001 0.000 0.218 274 G C 1.824 176.880 174.900 0.259 0.000 1.122 274 G CA 1.196 46.450 45.100 0.256 0.000 0.769 274 G HN 0.597 nan 8.290 nan 0.000 0.549 275 A N 2.016 124.996 122.820 0.267 0.000 2.019 275 A HA -0.127 4.193 4.320 -0.001 0.000 0.219 275 A C 2.243 179.999 177.584 0.287 0.000 1.164 275 A CA 1.945 54.144 52.037 0.269 0.000 0.644 275 A CB -0.410 18.762 19.000 0.288 0.000 0.805 275 A HN 0.541 nan 8.150 nan 0.000 0.449 276 N N 0.519 119.421 118.700 0.336 0.000 2.188 276 N HA -0.204 4.536 4.740 -0.001 0.000 0.184 276 N C 1.478 177.226 175.510 0.396 0.000 1.018 276 N CA 1.750 54.993 53.050 0.321 0.000 0.858 276 N CB -0.660 38.010 38.487 0.306 0.000 0.989 276 N HN 0.718 nan 8.380 nan 0.000 0.426 277 E N 0.262 120.709 120.200 0.412 0.000 2.072 277 E HA 0.015 4.364 4.350 -0.001 0.000 0.190 277 E C 1.821 178.564 176.600 0.239 0.000 0.982 277 E CA 0.897 57.510 56.400 0.355 0.000 0.803 277 E CB -0.220 29.644 29.700 0.274 0.000 0.755 277 E HN 0.427 nan 8.360 nan 0.000 0.453 278 A N 0.596 123.546 122.820 0.217 0.000 1.972 278 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 278 A C 2.345 180.014 177.584 0.141 0.000 1.169 278 A CA 1.220 53.356 52.037 0.165 0.000 0.635 278 A CB -0.532 18.569 19.000 0.168 0.000 0.810 278 A HN 0.234 nan 8.150 nan 0.000 0.446 279 V N -0.601 119.407 119.914 0.157 0.000 2.295 279 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 279 V C 2.452 178.561 176.094 0.024 0.000 1.049 279 V CA 1.950 64.300 62.300 0.084 0.000 1.024 279 V CB -0.641 31.215 31.823 0.056 0.000 0.648 279 V HN 0.540 nan 8.190 nan 0.000 0.447 280 L N -0.283 120.999 121.223 0.098 0.000 2.131 280 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 280 L C 2.334 179.226 176.870 0.037 0.000 1.092 280 L CA 1.885 56.777 54.840 0.086 0.000 0.759 280 L CB -0.617 41.592 42.059 0.249 0.000 0.903 280 L HN 0.249 nan 8.230 nan 0.000 0.435 281 K N -1.384 119.045 120.400 0.048 0.000 2.103 281 K HA -0.160 4.160 4.320 -0.001 0.000 0.204 281 K C 2.074 178.662 176.600 -0.020 0.000 1.052 281 K CA 1.575 57.875 56.287 0.022 0.000 0.945 281 K CB -0.189 32.339 32.500 0.046 0.000 0.722 281 K HN 0.326 nan 8.250 nan 0.000 0.443 282 M N 1.002 120.580 119.600 -0.037 0.000 2.067 282 M HA -0.189 4.291 4.480 -0.001 0.000 0.260 282 M C 1.837 177.995 176.300 -0.236 0.000 1.069 282 M CA 1.677 56.890 55.300 -0.145 0.000 1.117 282 M CB -0.093 32.428 32.600 -0.133 0.000 1.334 282 M HN 0.102 nan 8.290 nan 0.000 0.407 283 L N 0.403 121.517 121.223 -0.183 0.000 2.042 283 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 283 L C 2.811 179.609 176.870 -0.121 0.000 1.076 283 L CA 1.291 56.025 54.840 -0.178 0.000 0.749 283 L CB -1.060 40.905 42.059 -0.157 0.000 0.893 283 L HN 0.460 nan 8.230 nan 0.000 0.432 284 A N -0.256 122.518 122.820 -0.076 0.000 1.930 284 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 284 A C 2.455 180.008 177.584 -0.051 0.000 1.175 284 A CA 1.407 53.416 52.037 -0.046 0.000 0.627 284 A CB -0.505 18.483 19.000 -0.020 0.000 0.815 284 A HN 0.310 nan 8.150 nan 0.000 0.443 285 R N -0.450 120.009 120.500 -0.068 0.000 2.115 285 R HA 0.003 4.343 4.340 -0.001 0.000 0.230 285 R C 1.825 178.084 176.300 -0.069 0.000 1.111 285 R CA 1.282 57.350 56.100 -0.053 0.000 0.976 285 R CB -0.299 29.975 30.300 -0.042 0.000 0.870 285 R HN 0.568 nan 8.270 nan 0.000 0.445 286 I N -0.408 120.081 120.570 -0.134 0.000 2.315 286 I HA -0.153 4.017 4.170 -0.001 0.000 0.248 286 I C 1.970 178.053 176.117 -0.057 0.000 1.117 286 I CA 1.295 62.523 61.300 -0.120 0.000 1.404 286 I CB -0.264 37.606 38.000 -0.218 0.000 1.071 286 I HN 0.553 nan 8.210 nan 0.000 0.419 287 G N 1.398 110.163 108.800 -0.057 0.000 3.639 287 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.224 287 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.224 287 G C 0.454 175.342 174.900 -0.020 0.000 1.339 287 G CA 0.832 45.914 45.100 -0.030 0.000 0.933 287 G HN 0.511 nan 8.290 nan 0.000 0.568 288 K N 0.048 120.441 120.400 -0.013 0.000 2.512 288 K HA 0.704 5.023 4.320 -0.001 0.000 0.263 288 K C 0.869 177.472 176.600 0.006 0.000 0.966 288 K CA -0.301 55.985 56.287 -0.001 0.000 0.851 288 K CB 2.163 34.667 32.500 0.005 0.000 1.395 288 K HN 0.163 nan 8.250 nan 0.000 0.440 289 K N 1.025 121.434 120.400 0.015 0.000 2.127 289 K HA -0.243 4.077 4.320 -0.001 0.000 0.208 289 K C 0.597 177.214 176.600 0.028 0.000 1.047 289 K CA 2.287 58.589 56.287 0.025 0.000 0.927 289 K CB 0.010 32.528 32.500 0.030 0.000 0.716 289 K HN 0.665 nan 8.250 nan 0.000 0.450 290 E N 0.493 120.708 120.200 0.024 0.000 2.409 290 E HA -0.068 4.281 4.350 -0.001 0.000 0.198 290 E C 0.978 177.597 176.600 0.031 0.000 1.024 290 E CA 0.636 57.051 56.400 0.026 0.000 0.861 290 E CB 0.013 29.726 29.700 0.022 0.000 0.788 290 E HN 0.351 nan 8.360 nan 0.000 0.521 291 N N -0.379 118.340 118.700 0.032 0.000 2.236 291 N HA 0.145 4.884 4.740 -0.001 0.000 0.196 291 N C 1.202 176.757 175.510 0.074 0.000 1.114 291 N CA 0.098 53.174 53.050 0.044 0.000 0.859 291 N CB 0.364 38.869 38.487 0.029 0.000 0.982 291 N HN 0.215 nan 8.380 nan 0.000 0.493 292 I N 1.608 122.220 120.570 0.069 0.000 2.226 292 I HA -0.159 4.010 4.170 -0.001 0.000 0.245 292 I C -0.683 175.510 176.117 0.127 0.000 1.100 292 I CA 1.233 62.599 61.300 0.109 0.000 1.374 292 I CB -1.173 36.872 38.000 0.074 0.000 1.057 292 I HN -0.002 nan 8.210 nan 0.000 0.413 293 P HA -0.221 nan 4.420 nan 0.000 0.215 293 P C 1.527 178.859 177.300 0.053 0.000 1.157 293 P CA 2.016 65.149 63.100 0.056 0.000 0.874 293 P CB -0.031 31.693 31.700 0.039 0.000 0.790 294 A N -1.440 121.421 122.820 0.069 0.000 1.902 294 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 294 A C 2.128 179.759 177.584 0.078 0.000 1.181 294 A CA 1.471 53.544 52.037 0.061 0.000 0.623 294 A CB -1.799 17.243 19.000 0.069 0.000 0.818 294 A HN 0.146 nan 8.150 nan 0.000 0.443 295 F N 0.786 120.731 119.950 -0.008 0.000 2.113 295 F HA -0.137 4.389 4.527 -0.001 0.000 0.297 295 F C 2.000 177.790 175.800 -0.017 0.000 1.103 295 F CA 1.341 59.335 58.000 -0.010 0.000 1.248 295 F CB -0.158 38.838 39.000 -0.006 0.000 0.999 295 F HN 0.130 nan 8.300 nan 0.000 0.475 296 I N 0.812 121.338 120.570 -0.073 0.000 2.264 296 I HA -0.304 3.866 4.170 -0.001 0.000 0.248 296 I C 2.683 178.678 176.117 -0.204 0.000 1.111 296 I CA 1.500 62.714 61.300 -0.144 0.000 1.382 296 I CB -2.043 35.964 38.000 0.012 0.000 1.060 296 I HN 0.265 nan 8.210 nan 0.000 0.418 297 A N 0.184 122.919 122.820 -0.141 0.000 1.933 297 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 297 A C 2.252 179.715 177.584 -0.202 0.000 1.175 297 A CA 1.328 53.281 52.037 -0.141 0.000 0.628 297 A CB -0.530 18.425 19.000 -0.074 0.000 0.814 297 A HN 0.507 nan 8.150 nan 0.000 0.444 298 Q N -0.507 119.149 119.800 -0.240 0.000 2.079 298 Q HA -0.110 4.230 4.340 -0.001 0.000 0.200 298 Q C 2.155 177.954 176.000 -0.335 0.000 0.974 298 Q CA 1.615 57.268 55.803 -0.249 0.000 0.840 298 Q CB -0.375 28.221 28.738 -0.238 0.000 0.898 298 Q HN 0.496 nan 8.270 nan 0.000 0.430 299 V N 1.425 121.039 119.914 -0.499 0.000 2.332 299 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 299 V C 1.824 177.574 176.094 -0.575 0.000 1.055 299 V CA 1.932 63.940 62.300 -0.487 0.000 1.038 299 V CB -0.369 31.176 31.823 -0.463 0.000 0.651 299 V HN 0.298 nan 8.190 nan 0.000 0.450 300 K N -0.192 119.843 120.400 -0.608 0.000 2.366 300 K HA -0.034 4.285 4.320 -0.001 0.000 0.198 300 K C 0.729 177.129 176.600 -0.334 0.000 1.044 300 K CA 0.338 56.207 56.287 -0.696 0.000 0.973 300 K CB -0.097 32.091 32.500 -0.521 0.000 0.767 300 K HN 0.335 nan 8.250 nan 0.000 0.475 301 D N 2.656 122.909 120.400 -0.245 0.000 2.441 301 D HA -0.053 4.587 4.640 -0.001 0.000 0.243 301 D C -0.562 175.670 176.300 -0.112 0.000 1.257 301 D CA 0.132 54.047 54.000 -0.142 0.000 1.027 301 D CB 0.079 40.809 40.800 -0.118 0.000 1.084 301 D HN -0.108 nan 8.370 nan 0.000 0.514 302 K N 3.308 123.662 120.400 -0.078 0.000 2.250 302 K HA -0.062 4.258 4.320 -0.001 0.000 0.277 302 K C 0.292 176.874 176.600 -0.030 0.000 1.091 302 K CA 0.636 56.901 56.287 -0.036 0.000 1.046 302 K CB -0.534 31.964 32.500 -0.003 0.000 0.982 302 K HN 0.784 nan 8.250 nan 0.000 0.429 303 N N -0.367 118.314 118.700 -0.031 0.000 2.575 303 N HA -0.230 4.509 4.740 -0.001 0.000 0.139 303 N C 0.511 176.005 175.510 -0.026 0.000 1.611 303 N CA 0.843 53.880 53.050 -0.022 0.000 3.032 303 N CB -1.097 37.378 38.487 -0.020 0.000 1.429 303 N HN 0.337 nan 8.380 nan 0.000 1.070 304 S N -0.359 115.316 115.700 -0.042 0.000 2.423 304 S HA 0.335 4.805 4.470 -0.001 0.000 0.231 304 S C 2.008 176.593 174.600 -0.025 0.000 1.014 304 S CA 1.787 59.962 58.200 -0.042 0.000 0.965 304 S CB -0.363 62.793 63.200 -0.074 0.000 0.785 304 S HN 1.591 nan 8.310 nan 0.000 0.495 305 G N 0.287 109.073 108.800 -0.022 0.000 2.299 305 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.237 305 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.237 305 G C 0.140 175.043 174.900 0.005 0.000 1.027 305 G CA -0.014 45.084 45.100 -0.002 0.000 0.619 305 G HN 0.812 nan 8.290 nan 0.000 0.513 306 V N 2.782 122.685 119.914 -0.019 0.000 2.585 306 V HA 0.476 4.596 4.120 -0.001 0.000 0.296 306 V C 0.426 176.497 176.094 -0.038 0.000 1.035 306 V CA 0.156 62.446 62.300 -0.017 0.000 1.084 306 V CB 1.365 33.141 31.823 -0.079 0.000 0.953 306 V HN 0.321 nan 8.190 nan 0.000 0.483 307 K N 3.340 123.773 120.400 0.055 0.000 2.340 307 K HA 0.538 4.858 4.320 -0.001 0.000 0.244 307 K C -0.859 175.865 176.600 0.207 0.000 0.973 307 K CA -1.165 55.182 56.287 0.101 0.000 0.828 307 K CB 2.433 35.020 32.500 0.145 0.000 1.226 307 K HN 0.451 nan 8.250 nan 0.000 0.437 308 L N 3.397 124.767 121.223 0.244 0.000 2.334 308 L HA 0.212 4.552 4.340 -0.001 0.000 0.286 308 L C -0.417 176.667 176.870 0.358 0.000 1.108 308 L CA -0.023 55.013 54.840 0.327 0.000 0.875 308 L CB -0.099 42.037 42.059 0.128 0.000 1.246 308 L HN 0.441 nan 8.230 nan 0.000 0.439 309 M N 4.120 123.942 119.600 0.370 0.000 2.249 309 M HA 0.230 4.710 4.480 -0.001 0.000 0.340 309 M C 1.477 178.048 176.300 0.451 0.000 1.166 309 M CA 0.837 56.343 55.300 0.343 0.000 1.115 309 M CB -0.299 32.463 32.600 0.270 0.000 1.606 309 M HN 0.824 nan 8.290 nan 0.000 0.448 310 G N 1.992 111.050 108.800 0.430 0.000 2.157 310 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.248 310 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.248 310 G C -0.315 174.851 174.900 0.443 0.000 0.979 310 G CA -0.380 45.021 45.100 0.502 0.000 0.650 310 G HN 0.529 nan 8.290 nan 0.000 0.529 311 F N 0.480 120.532 119.950 0.170 0.000 2.563 311 F HA 0.678 5.204 4.527 -0.001 0.000 0.316 311 F C 0.736 176.643 175.800 0.178 0.000 1.076 311 F CA 0.235 58.289 58.000 0.090 0.000 0.921 311 F CB 2.276 41.306 39.000 0.050 0.000 1.209 311 F HN 1.117 nan 8.300 nan 0.000 0.462 312 G N 2.325 111.301 108.800 0.294 0.000 2.692 312 G HA2 0.172 4.131 3.960 -0.001 0.000 0.686 312 G HA3 0.172 4.131 3.960 -0.001 0.000 0.686 312 G C -1.822 173.269 174.900 0.318 0.000 1.243 312 G CA -0.837 44.437 45.100 0.289 0.000 0.782 312 G HN 1.053 nan 8.290 nan 0.000 0.625 313 H N 0.714 119.885 119.070 0.169 0.000 3.094 313 H HA 0.415 4.971 4.556 -0.001 0.000 0.346 313 H C 1.174 176.564 175.328 0.103 0.000 1.238 313 H CA -0.279 55.867 56.048 0.162 0.000 1.209 313 H CB 1.827 31.735 29.762 0.242 0.000 1.911 313 H HN 0.639 nan 8.280 nan 0.000 0.540 314 R N 2.181 122.601 120.500 -0.133 0.000 2.092 314 R HA -0.021 4.319 4.340 -0.001 0.000 0.231 314 R C 0.768 177.115 176.300 0.079 0.000 1.119 314 R CA 2.255 58.335 56.100 -0.033 0.000 0.970 314 R CB -0.478 29.753 30.300 -0.113 0.000 0.864 314 R HN 0.342 nan 8.270 nan 0.000 0.440 315 V N -0.981 119.082 119.914 0.247 0.000 2.521 315 V HA 0.120 4.240 4.120 -0.001 0.000 0.239 315 V C 0.504 176.611 176.094 0.022 0.000 1.053 315 V CA 0.258 62.605 62.300 0.079 0.000 1.073 315 V CB -0.423 31.339 31.823 -0.103 0.000 0.746 315 V HN 0.103 nan 8.190 nan 0.000 0.476 316 Y N 1.629 122.014 120.300 0.142 0.000 2.526 316 Y HA 0.155 4.705 4.550 -0.001 0.000 0.330 316 Y C 1.031 176.938 175.900 0.011 0.000 1.156 316 Y CA 0.221 58.282 58.100 -0.064 0.000 1.419 316 Y CB 0.471 38.778 38.460 -0.256 0.000 1.250 316 Y HN 0.005 nan 8.280 nan 0.000 0.540 317 K N 3.105 123.578 120.400 0.122 0.000 3.123 317 K HA 0.252 4.572 4.320 -0.001 0.000 0.209 317 K C -0.936 175.607 176.600 -0.095 0.000 1.132 317 K CA -0.188 56.158 56.287 0.098 0.000 0.992 317 K CB 0.042 32.593 32.500 0.084 0.000 0.773 317 K HN 0.664 nan 8.250 nan 0.000 0.458 318 N N -0.197 118.236 118.700 -0.445 0.000 3.339 318 N HA 0.261 5.000 4.740 -0.001 0.000 0.275 318 N C -1.278 173.525 175.510 -1.179 0.000 1.514 318 N CA -0.609 51.756 53.050 -1.142 0.000 0.879 318 N CB 0.455 38.681 38.487 -0.434 0.000 1.557 318 N HN -0.129 nan 8.380 nan 0.000 0.524 319 F N 1.133 120.524 119.950 -0.932 0.000 2.572 319 F HA 0.076 4.602 4.527 -0.001 0.000 0.370 319 F C 1.433 176.869 175.800 -0.606 0.000 1.103 319 F CA 0.199 57.875 58.000 -0.541 0.000 1.286 319 F CB 0.268 39.080 39.000 -0.313 0.000 1.105 319 F HN 0.218 nan 8.300 nan 0.000 0.583 320 D N 5.847 125.970 120.400 -0.463 0.000 2.339 320 D HA 0.069 4.708 4.640 -0.001 0.000 0.256 320 D C -1.405 174.611 176.300 -0.472 0.000 1.214 320 D CA -2.253 51.209 54.000 -0.898 0.000 0.877 320 D CB 1.286 41.746 40.800 -0.566 0.000 1.111 320 D HN 0.177 nan 8.370 nan 0.000 0.478 321 P HA -0.138 nan 4.420 nan 0.000 0.221 321 P C 0.974 178.187 177.300 -0.144 0.000 1.145 321 P CA 0.829 63.803 63.100 -0.210 0.000 0.795 321 P CB 0.435 32.050 31.700 -0.142 0.000 0.775 322 R N -0.152 120.251 120.500 -0.162 0.000 2.119 322 R HA 0.093 4.433 4.340 -0.001 0.000 0.222 322 R C 2.526 178.775 176.300 -0.084 0.000 1.088 322 R CA 1.107 57.137 56.100 -0.117 0.000 0.984 322 R CB -0.727 29.481 30.300 -0.153 0.000 0.884 322 R HN 0.145 nan 8.270 nan 0.000 0.447 323 A N 2.166 124.946 122.820 -0.067 0.000 1.930 323 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 323 A C 1.947 179.572 177.584 0.069 0.000 1.175 323 A CA 1.560 53.640 52.037 0.072 0.000 0.627 323 A CB -0.192 18.870 19.000 0.104 0.000 0.815 323 A HN 0.299 nan 8.150 nan 0.000 0.443 324 K N 0.207 120.594 120.400 -0.022 0.000 2.057 324 K HA 0.010 4.329 4.320 -0.001 0.000 0.207 324 K C 1.500 178.053 176.600 -0.078 0.000 1.049 324 K CA 1.856 58.100 56.287 -0.072 0.000 0.931 324 K CB -0.637 31.790 32.500 -0.122 0.000 0.714 324 K HN 0.431 nan 8.250 nan 0.000 0.440 325 I N 0.137 120.669 120.570 -0.063 0.000 2.315 325 I HA -0.146 4.024 4.170 -0.001 0.000 0.248 325 I C 2.469 178.553 176.117 -0.054 0.000 1.117 325 I CA 0.891 62.160 61.300 -0.053 0.000 1.404 325 I CB -0.170 37.806 38.000 -0.040 0.000 1.071 325 I HN 0.164 nan 8.210 nan 0.000 0.419 326 M N 0.429 120.004 119.600 -0.042 0.000 2.117 326 M HA -0.239 4.240 4.480 -0.001 0.000 0.262 326 M C 2.281 178.510 176.300 -0.119 0.000 1.065 326 M CA 1.843 57.127 55.300 -0.028 0.000 1.114 326 M CB -0.436 32.201 32.600 0.061 0.000 1.361 326 M HN 0.143 nan 8.290 nan 0.000 0.408 327 Q N -0.703 118.947 119.800 -0.251 0.000 2.079 327 Q HA -0.225 4.114 4.340 -0.001 0.000 0.200 327 Q C 2.030 177.880 176.000 -0.250 0.000 0.974 327 Q CA 1.717 57.193 55.803 -0.545 0.000 0.840 327 Q CB -0.064 28.217 28.738 -0.762 0.000 0.898 327 Q HN 0.636 nan 8.270 nan 0.000 0.430 328 Q N -0.662 119.077 119.800 -0.102 0.000 2.096 328 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 328 Q C 2.032 178.025 176.000 -0.012 0.000 0.982 328 Q CA 1.996 57.798 55.803 -0.002 0.000 0.850 328 Q CB -0.062 28.661 28.738 -0.025 0.000 0.901 328 Q HN 0.381 nan 8.270 nan 0.000 0.422 329 T N 0.267 114.790 114.554 -0.053 0.000 2.788 329 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 329 T C 2.047 176.706 174.700 -0.069 0.000 1.044 329 T CA 1.099 63.174 62.100 -0.043 0.000 1.139 329 T CB -0.404 68.443 68.868 -0.034 0.000 0.867 329 T HN 0.377 nan 8.240 nan 0.000 0.454 330 C N 0.990 120.202 119.300 -0.146 0.000 2.413 330 C HA -0.096 4.364 4.460 -0.001 0.000 0.277 330 C C 2.691 177.573 174.990 -0.179 0.000 1.228 330 C CA 0.337 59.236 59.018 -0.198 0.000 1.731 330 C CB -1.221 26.318 27.740 -0.335 0.000 2.042 330 C HN 0.605 nan 8.230 nan 0.000 0.468 331 H N 0.691 119.713 119.070 -0.081 0.000 2.319 331 H HA -0.117 4.438 4.556 -0.001 0.000 0.299 331 H C 2.176 177.476 175.328 -0.047 0.000 1.092 331 H CA 1.769 57.779 56.048 -0.064 0.000 1.302 331 H CB -0.620 29.097 29.762 -0.075 0.000 1.373 331 H HN 0.647 nan 8.280 nan 0.000 0.497 332 E N 0.051 120.296 120.200 0.075 0.000 2.077 332 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 332 E C 2.468 179.075 176.600 0.011 0.000 0.989 332 E CA 1.126 57.544 56.400 0.030 0.000 0.800 332 E CB 0.079 29.787 29.700 0.013 0.000 0.746 332 E HN 0.108 nan 8.360 nan 0.000 0.452 333 V N 1.260 121.172 119.914 -0.004 0.000 2.323 333 V HA -0.227 3.893 4.120 -0.001 0.000 0.244 333 V C 2.279 178.366 176.094 -0.011 0.000 1.041 333 V CA 1.333 63.626 62.300 -0.011 0.000 1.025 333 V CB -0.375 31.436 31.823 -0.021 0.000 0.656 333 V HN 0.262 nan 8.190 nan 0.000 0.451 334 L N -0.345 120.871 121.223 -0.012 0.000 2.042 334 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 334 L C 2.629 179.502 176.870 0.004 0.000 1.076 334 L CA 2.018 56.853 54.840 -0.007 0.000 0.749 334 L CB -1.021 41.035 42.059 -0.005 0.000 0.893 334 L HN 0.361 nan 8.230 nan 0.000 0.432 335 T N -0.892 113.671 114.554 0.015 0.000 2.674 335 T HA -0.219 4.131 4.350 -0.001 0.000 0.265 335 T C 1.767 176.467 174.700 0.001 0.000 1.039 335 T CA 1.366 63.473 62.100 0.012 0.000 1.150 335 T CB -0.177 68.700 68.868 0.015 0.000 0.864 335 T HN 0.351 nan 8.240 nan 0.000 0.427 336 E N 0.387 120.586 120.200 -0.001 0.000 2.204 336 E HA -0.028 4.321 4.350 -0.001 0.000 0.195 336 E C 1.661 178.255 176.600 -0.011 0.000 0.990 336 E CA 0.651 57.048 56.400 -0.006 0.000 0.821 336 E CB -0.130 29.567 29.700 -0.005 0.000 0.750 336 E HN 0.435 nan 8.360 nan 0.000 0.477 337 L N -0.602 120.614 121.223 -0.012 0.000 2.592 337 L HA 0.145 4.484 4.340 -0.001 0.000 0.227 337 L C 1.267 178.128 176.870 -0.016 0.000 1.127 337 L CA 0.261 55.090 54.840 -0.018 0.000 0.884 337 L CB 0.194 42.239 42.059 -0.023 0.000 1.065 337 L HN 0.238 nan 8.230 nan 0.000 0.457 338 G N 1.105 109.899 108.800 -0.011 0.000 2.155 338 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.257 338 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.257 338 G C 0.211 175.107 174.900 -0.007 0.000 0.983 338 G CA -0.079 45.016 45.100 -0.009 0.000 0.676 338 G HN 0.332 nan 8.290 nan 0.000 0.528 339 I N 0.456 121.023 120.570 -0.005 0.000 2.337 339 I HA 0.229 4.398 4.170 -0.001 0.000 0.291 339 I C 1.486 177.606 176.117 0.005 0.000 1.046 339 I CA -0.139 61.160 61.300 -0.003 0.000 1.324 339 I CB 1.368 39.364 38.000 -0.006 0.000 1.409 339 I HN 0.105 nan 8.210 nan 0.000 0.494 340 K N 3.468 123.872 120.400 0.006 0.000 2.167 340 K HA -0.020 4.299 4.320 -0.001 0.000 0.203 340 K C 0.006 176.618 176.600 0.019 0.000 1.052 340 K CA 0.958 57.251 56.287 0.011 0.000 0.956 340 K CB 0.300 32.804 32.500 0.006 0.000 0.735 340 K HN 0.660 nan 8.250 nan 0.000 0.451 341 D N -0.451 119.958 120.400 0.015 0.000 2.857 341 D HA 0.136 4.775 4.640 -0.001 0.000 0.227 341 D C -2.006 174.303 176.300 0.014 0.000 1.192 341 D CA -0.717 53.295 54.000 0.021 0.000 0.857 341 D CB 1.652 42.463 40.800 0.019 0.000 1.645 341 D HN -0.084 nan 8.370 nan 0.000 0.482 342 D N 3.728 124.139 120.400 0.017 0.000 2.420 342 D HA 0.231 4.870 4.640 -0.001 0.000 0.255 342 D C -1.794 174.513 176.300 0.012 0.000 1.185 342 D CA -2.066 51.938 54.000 0.006 0.000 0.904 342 D CB 2.214 43.009 40.800 -0.009 0.000 1.102 342 D HN 0.149 nan 8.370 nan 0.000 0.534 343 P HA -0.180 nan 4.420 nan 0.000 0.216 343 P C 1.709 179.014 177.300 0.008 0.000 1.150 343 P CA 0.403 63.510 63.100 0.012 0.000 0.843 343 P CB 0.749 32.454 31.700 0.007 0.000 0.787 344 L N -0.686 120.537 121.223 -0.001 0.000 2.046 344 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 344 L C 2.523 179.386 176.870 -0.011 0.000 1.077 344 L CA 1.487 56.319 54.840 -0.014 0.000 0.747 344 L CB -1.530 40.520 42.059 -0.016 0.000 0.896 344 L HN -0.142 nan 8.230 nan 0.000 0.432 345 L N -0.661 120.563 121.223 0.002 0.000 2.056 345 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 345 L C 2.029 178.944 176.870 0.075 0.000 1.078 345 L CA 1.822 56.678 54.840 0.026 0.000 0.749 345 L CB -0.988 41.049 42.059 -0.037 0.000 0.901 345 L HN 0.306 nan 8.230 nan 0.000 0.433 346 D N -0.313 120.124 120.400 0.062 0.000 2.123 346 D HA -0.211 4.429 4.640 -0.001 0.000 0.196 346 D C 2.194 178.546 176.300 0.086 0.000 0.992 346 D CA 1.592 55.642 54.000 0.083 0.000 0.833 346 D CB -0.245 40.591 40.800 0.061 0.000 0.954 346 D HN 0.343 nan 8.370 nan 0.000 0.455 347 L N 1.167 122.422 121.223 0.053 0.000 2.017 347 L HA -0.071 4.268 4.340 -0.001 0.000 0.208 347 L C 2.223 179.132 176.870 0.065 0.000 1.073 347 L CA 1.828 56.691 54.840 0.039 0.000 0.745 347 L CB -0.897 41.159 42.059 -0.004 0.000 0.894 347 L HN -0.025 nan 8.230 nan 0.000 0.432 348 A N -1.041 121.804 122.820 0.042 0.000 1.883 348 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 348 A C 2.277 180.071 177.584 0.350 0.000 1.186 348 A CA 2.180 54.240 52.037 0.037 0.000 0.624 348 A CB -1.219 17.649 19.000 -0.219 0.000 0.822 348 A HN 0.319 nan 8.150 nan 0.000 0.444 349 V N -0.035 120.097 119.914 0.364 0.000 2.332 349 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 349 V C 2.598 178.859 176.094 0.277 0.000 1.055 349 V CA 2.478 65.017 62.300 0.400 0.000 1.038 349 V CB -0.706 31.293 31.823 0.293 0.000 0.651 349 V HN 0.722 nan 8.190 nan 0.000 0.450 350 E N 0.119 120.434 120.200 0.192 0.000 2.106 350 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 350 E C 1.908 178.583 176.600 0.124 0.000 0.984 350 E CA 1.039 57.520 56.400 0.134 0.000 0.806 350 E CB -0.363 29.392 29.700 0.093 0.000 0.750 350 E HN 0.415 nan 8.360 nan 0.000 0.458 351 L N 1.220 122.534 121.223 0.152 0.000 2.046 351 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 351 L C 2.202 179.110 176.870 0.064 0.000 1.077 351 L CA 2.332 57.238 54.840 0.110 0.000 0.747 351 L CB -0.757 41.407 42.059 0.175 0.000 0.896 351 L HN 0.310 nan 8.230 nan 0.000 0.432 352 E N -0.767 119.568 120.200 0.226 0.000 2.051 352 E HA -0.253 4.096 4.350 -0.001 0.000 0.192 352 E C 1.933 178.619 176.600 0.144 0.000 0.991 352 E CA 1.169 57.692 56.400 0.205 0.000 0.799 352 E CB 0.044 29.933 29.700 0.314 0.000 0.748 352 E HN 0.315 nan 8.360 nan 0.000 0.449 353 K N 0.574 121.061 120.400 0.144 0.000 2.032 353 K HA -0.133 4.186 4.320 -0.001 0.000 0.209 353 K C 2.246 178.873 176.600 0.045 0.000 1.048 353 K CA 1.193 57.544 56.287 0.108 0.000 0.927 353 K CB -0.555 32.008 32.500 0.105 0.000 0.712 353 K HN 0.338 nan 8.250 nan 0.000 0.441 354 I N 0.964 121.539 120.570 0.009 0.000 2.179 354 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 354 I C 2.433 178.483 176.117 -0.112 0.000 1.088 354 I CA 1.272 62.556 61.300 -0.025 0.000 1.357 354 I CB -0.366 37.625 38.000 -0.015 0.000 1.051 354 I HN 0.064 nan 8.210 nan 0.000 0.409 355 A N 0.762 123.394 122.820 -0.315 0.000 1.902 355 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 355 A C 2.247 179.644 177.584 -0.311 0.000 1.181 355 A CA 1.347 52.944 52.037 -0.733 0.000 0.623 355 A CB -0.915 17.158 19.000 -1.545 0.000 0.818 355 A HN 0.403 nan 8.150 nan 0.000 0.443 356 L N 0.621 121.778 121.223 -0.110 0.000 2.353 356 L HA -0.108 4.231 4.340 -0.001 0.000 0.220 356 L C 2.021 178.909 176.870 0.030 0.000 1.133 356 L CA 1.265 56.099 54.840 -0.010 0.000 0.798 356 L CB -0.251 41.845 42.059 0.063 0.000 0.922 356 L HN 0.578 nan 8.230 nan 0.000 0.445 357 S N -3.365 112.361 115.700 0.043 0.000 2.568 357 S HA 0.097 4.567 4.470 -0.001 0.000 0.232 357 S C 0.284 174.936 174.600 0.085 0.000 0.975 357 S CA -0.625 57.613 58.200 0.063 0.000 0.949 357 S CB 0.012 63.247 63.200 0.058 0.000 0.829 357 S HN 0.206 nan 8.310 nan 0.000 0.479 358 D N 1.620 122.103 120.400 0.138 0.000 2.256 358 D HA 0.218 4.857 4.640 -0.001 0.000 0.240 358 D C 0.308 176.735 176.300 0.213 0.000 1.062 358 D CA -0.216 53.905 54.000 0.202 0.000 0.832 358 D CB 1.938 42.930 40.800 0.321 0.000 1.135 358 D HN 0.015 nan 8.370 nan 0.000 0.484 359 D N 2.634 123.108 120.400 0.123 0.000 2.203 359 D HA -0.295 4.345 4.640 -0.001 0.000 0.199 359 D C 1.575 177.888 176.300 0.022 0.000 0.997 359 D CA 1.358 55.396 54.000 0.064 0.000 0.863 359 D CB -0.155 40.667 40.800 0.038 0.000 0.928 359 D HN 0.565 nan 8.370 nan 0.000 0.458 360 Y N -0.301 119.941 120.300 -0.096 0.000 2.128 360 Y HA -0.230 4.319 4.550 -0.001 0.000 0.284 360 Y C 1.666 177.331 175.900 -0.391 0.000 1.154 360 Y CA 1.883 59.801 58.100 -0.303 0.000 1.149 360 Y CB -0.515 37.634 38.460 -0.518 0.000 0.976 360 Y HN 0.007 nan 8.280 nan 0.000 0.505 361 F N -1.449 118.545 119.950 0.073 0.000 2.234 361 F HA -0.093 4.434 4.527 -0.001 0.000 0.296 361 F C 2.340 178.058 175.800 -0.135 0.000 1.089 361 F CA 1.067 59.052 58.000 -0.025 0.000 1.343 361 F CB -1.017 38.003 39.000 0.033 0.000 1.040 361 F HN -0.152 nan 8.300 nan 0.000 0.498 362 V N 0.303 120.251 119.914 0.057 0.000 2.287 362 V HA -0.353 3.766 4.120 -0.001 0.000 0.248 362 V C 2.479 178.541 176.094 -0.053 0.000 1.053 362 V CA 2.323 64.607 62.300 -0.028 0.000 1.027 362 V CB -0.836 30.992 31.823 0.008 0.000 0.646 362 V HN 0.400 nan 8.190 nan 0.000 0.447 363 Q N 0.125 119.874 119.800 -0.084 0.000 2.135 363 Q HA -0.226 4.113 4.340 -0.001 0.000 0.204 363 Q C 2.163 178.091 176.000 -0.121 0.000 0.981 363 Q CA 1.780 57.521 55.803 -0.102 0.000 0.856 363 Q CB -0.047 28.606 28.738 -0.141 0.000 0.902 363 Q HN 0.564 nan 8.270 nan 0.000 0.425 364 R N -0.002 120.385 120.500 -0.187 0.000 2.317 364 R HA 0.106 4.446 4.340 -0.001 0.000 0.208 364 R C -0.175 176.106 176.300 -0.033 0.000 0.914 364 R CA 0.174 56.181 56.100 -0.156 0.000 1.060 364 R CB 0.284 30.402 30.300 -0.303 0.000 1.015 364 R HN 0.136 nan 8.270 nan 0.000 0.498 365 K N 1.063 121.461 120.400 -0.004 0.000 3.148 365 K HA -0.174 4.146 4.320 -0.001 0.000 0.267 365 K C -0.937 175.756 176.600 0.155 0.000 0.996 365 K CA 0.432 56.785 56.287 0.109 0.000 0.737 365 K CB -1.406 31.196 32.500 0.171 0.000 1.308 365 K HN 0.251 nan 8.250 nan 0.000 0.470 366 L N 1.460 122.701 121.223 0.030 0.000 2.264 366 L HA 0.462 4.801 4.340 -0.001 0.000 0.289 366 L C 0.031 176.854 176.870 -0.077 0.000 1.044 366 L CA -0.720 54.227 54.840 0.179 0.000 0.807 366 L CB 0.377 42.685 42.059 0.414 0.000 1.192 366 L HN 0.008 nan 8.230 nan 0.000 0.425 367 Y N 2.547 122.730 120.300 -0.195 0.000 2.634 367 Y HA 0.490 5.039 4.550 -0.001 0.000 0.340 367 Y C -2.296 172.864 175.900 -1.234 0.000 1.058 367 Y CA -2.755 54.907 58.100 -0.731 0.000 1.081 367 Y CB 1.333 39.398 38.460 -0.659 0.000 1.295 367 Y HN 0.402 nan 8.280 nan 0.000 0.487 368 P HA 0.081 nan 4.420 nan 0.000 0.268 368 P C -1.149 175.941 177.300 -0.349 0.000 1.205 368 P CA 0.022 62.485 63.100 -1.062 0.000 0.771 368 P CB 0.452 31.739 31.700 -0.689 0.000 0.858 369 N N 0.516 119.143 118.700 -0.121 0.000 2.619 369 N HA 0.190 4.929 4.740 -0.001 0.000 0.294 369 N C 0.745 176.302 175.510 0.079 0.000 1.279 369 N CA -0.948 52.120 53.050 0.031 0.000 0.867 369 N CB -0.306 38.311 38.487 0.217 0.000 1.329 369 N HN 0.041 nan 8.380 nan 0.000 0.557 370 V N -0.238 119.703 119.914 0.045 0.000 2.439 370 V HA -0.249 3.870 4.120 -0.001 0.000 0.253 370 V C 0.592 176.727 176.094 0.068 0.000 1.074 370 V CA 2.230 64.517 62.300 -0.021 0.000 1.076 370 V CB -0.734 30.976 31.823 -0.188 0.000 0.664 370 V HN 0.631 nan 8.190 nan 0.000 0.461 371 D N -1.285 119.221 120.400 0.177 0.000 2.347 371 D HA -0.077 4.563 4.640 -0.001 0.000 0.213 371 D C 1.742 178.149 176.300 0.177 0.000 0.985 371 D CA 0.639 54.766 54.000 0.212 0.000 0.879 371 D CB -0.019 40.962 40.800 0.302 0.000 0.919 371 D HN 0.566 nan 8.370 nan 0.000 0.526 372 F N 0.402 120.348 119.950 -0.007 0.000 2.171 372 F HA -0.191 4.336 4.527 -0.001 0.000 0.300 372 F C 1.453 177.073 175.800 -0.300 0.000 1.090 372 F CA 1.398 59.300 58.000 -0.164 0.000 1.293 372 F CB -0.087 38.730 39.000 -0.306 0.000 1.013 372 F HN -0.062 nan 8.300 nan 0.000 0.486 373 Y N -1.314 119.019 120.300 0.055 0.000 2.445 373 Y HA 0.052 4.601 4.550 -0.001 0.000 0.247 373 Y C 2.482 178.317 175.900 -0.107 0.000 1.129 373 Y CA 0.273 58.333 58.100 -0.068 0.000 1.251 373 Y CB -0.176 38.290 38.460 0.010 0.000 1.176 373 Y HN 0.039 nan 8.280 nan 0.000 0.522 374 S N -0.408 115.314 115.700 0.037 0.000 2.356 374 S HA -0.154 4.315 4.470 -0.001 0.000 0.223 374 S C 2.305 176.729 174.600 -0.294 0.000 1.032 374 S CA 1.261 59.422 58.200 -0.066 0.000 1.005 374 S CB -1.140 62.063 63.200 0.005 0.000 0.867 374 S HN 0.435 nan 8.310 nan 0.000 0.449 375 G N 1.900 110.464 108.800 -0.393 0.000 2.442 375 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.219 375 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.219 375 G C 1.414 176.068 174.900 -0.409 0.000 1.141 375 G CA 0.994 45.611 45.100 -0.805 0.000 0.763 375 G HN 0.559 nan 8.290 nan 0.000 0.554 376 I N 0.494 120.960 120.570 -0.174 0.000 2.163 376 I HA -0.192 3.977 4.170 -0.001 0.000 0.243 376 I C 2.682 178.744 176.117 -0.091 0.000 1.085 376 I CA 1.011 62.263 61.300 -0.080 0.000 1.347 376 I CB -0.186 37.792 38.000 -0.037 0.000 1.044 376 I HN 0.173 nan 8.210 nan 0.000 0.408 377 I N 0.265 120.766 120.570 -0.114 0.000 2.179 377 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 377 I C 2.432 178.487 176.117 -0.103 0.000 1.088 377 I CA 1.395 62.638 61.300 -0.095 0.000 1.357 377 I CB -0.368 37.584 38.000 -0.080 0.000 1.051 377 I HN 0.180 nan 8.210 nan 0.000 0.409 378 L N 0.652 121.753 121.223 -0.204 0.000 2.042 378 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 378 L C 2.665 179.541 176.870 0.010 0.000 1.076 378 L CA 1.533 56.271 54.840 -0.170 0.000 0.749 378 L CB -0.688 41.083 42.059 -0.480 0.000 0.893 378 L HN 0.267 nan 8.230 nan 0.000 0.432 379 K N 0.521 120.946 120.400 0.041 0.000 2.097 379 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 379 K C 2.086 178.717 176.600 0.052 0.000 1.049 379 K CA 1.322 57.707 56.287 0.163 0.000 0.933 379 K CB -0.059 32.555 32.500 0.189 0.000 0.717 379 K HN 0.281 nan 8.250 nan 0.000 0.442 380 A N 0.719 123.541 122.820 0.004 0.000 2.067 380 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 380 A C 1.785 179.348 177.584 -0.035 0.000 1.158 380 A CA 1.204 53.229 52.037 -0.019 0.000 0.661 380 A CB -0.318 18.664 19.000 -0.031 0.000 0.801 380 A HN 0.354 nan 8.150 nan 0.000 0.452 381 M N -1.277 118.308 119.600 -0.025 0.000 2.494 381 M HA 0.209 4.688 4.480 -0.001 0.000 0.232 381 M C 1.273 177.502 176.300 -0.119 0.000 1.137 381 M CA 0.731 56.006 55.300 -0.042 0.000 1.012 381 M CB 0.338 32.946 32.600 0.013 0.000 1.567 381 M HN 0.562 nan 8.290 nan 0.000 0.486 382 G N 1.570 110.311 108.800 -0.098 0.000 2.159 382 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.256 382 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.256 382 G C 0.050 174.945 174.900 -0.008 0.000 0.977 382 G CA -0.327 44.664 45.100 -0.183 0.000 0.652 382 G HN 0.460 nan 8.290 nan 0.000 0.531 383 I N 3.326 123.992 120.570 0.160 0.000 2.416 383 I HA 0.294 4.463 4.170 -0.001 0.000 0.288 383 I C -1.218 175.021 176.117 0.203 0.000 1.051 383 I CA -2.173 59.267 61.300 0.233 0.000 1.375 383 I CB 1.126 39.264 38.000 0.230 0.000 1.407 383 I HN -0.048 nan 8.210 nan 0.000 0.516 384 P HA 0.035 nan 4.420 nan 0.000 0.274 384 P C 0.759 177.796 177.300 -0.439 0.000 1.231 384 P CA -0.269 62.779 63.100 -0.085 0.000 0.790 384 P CB 0.740 32.441 31.700 0.002 0.000 0.951 385 T N -1.754 112.375 114.554 -0.709 0.000 2.849 385 T HA -0.175 4.174 4.350 -0.001 0.000 0.270 385 T C 1.716 175.953 174.700 -0.771 0.000 1.066 385 T CA 1.784 63.058 62.100 -1.375 0.000 1.130 385 T CB -1.286 67.160 68.868 -0.703 0.000 0.864 385 T HN 0.489 nan 8.240 nan 0.000 0.481 386 S N 0.541 116.003 115.700 -0.398 0.000 2.507 386 S HA 0.092 4.561 4.470 -0.001 0.000 0.235 386 S C 1.742 176.196 174.600 -0.245 0.000 0.988 386 S CA 0.424 58.433 58.200 -0.318 0.000 0.944 386 S CB -0.458 62.587 63.200 -0.259 0.000 0.762 386 S HN 0.387 nan 8.310 nan 0.000 0.526 387 M N -0.139 119.356 119.600 -0.175 0.000 2.313 387 M HA 0.362 4.841 4.480 -0.001 0.000 0.273 387 M C 0.452 176.861 176.300 0.182 0.000 1.049 387 M CA -0.122 55.164 55.300 -0.023 0.000 1.004 387 M CB -0.642 31.898 32.600 -0.101 0.000 1.461 387 M HN 0.214 nan 8.290 nan 0.000 0.514 388 F N 1.463 121.436 119.950 0.038 0.000 2.069 388 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 388 F C 2.492 178.356 175.800 0.107 0.000 1.113 388 F CA 1.503 59.541 58.000 0.062 0.000 1.214 388 F CB -1.855 37.200 39.000 0.092 0.000 0.978 388 F HN 0.159 nan 8.300 nan 0.000 0.474 389 T N -0.186 114.584 114.554 0.360 0.000 2.867 389 T HA -0.078 4.272 4.350 -0.001 0.000 0.268 389 T C 2.343 177.147 174.700 0.172 0.000 1.057 389 T CA 0.945 63.213 62.100 0.281 0.000 1.136 389 T CB -0.575 68.444 68.868 0.250 0.000 0.874 389 T HN 0.038 nan 8.240 nan 0.000 0.466 390 V N 1.572 121.561 119.914 0.125 0.000 2.427 390 V HA -0.079 4.041 4.120 -0.001 0.000 0.248 390 V C 2.370 178.504 176.094 0.067 0.000 1.051 390 V CA 1.040 63.377 62.300 0.062 0.000 1.048 390 V CB -0.543 31.305 31.823 0.041 0.000 0.666 390 V HN 0.330 nan 8.190 nan 0.000 0.456 391 L N -0.681 120.606 121.223 0.106 0.000 2.083 391 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 391 L C 2.130 178.973 176.870 -0.045 0.000 1.083 391 L CA 1.930 56.799 54.840 0.048 0.000 0.752 391 L CB -1.183 40.921 42.059 0.074 0.000 0.899 391 L HN 0.329 nan 8.230 nan 0.000 0.433 392 F N 0.585 120.418 119.950 -0.196 0.000 2.102 392 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 392 F C 2.420 178.090 175.800 -0.216 0.000 1.105 392 F CA 1.348 59.198 58.000 -0.250 0.000 1.239 392 F CB -0.963 37.972 39.000 -0.108 0.000 0.991 392 F HN 0.166 nan 8.300 nan 0.000 0.474 393 A N -0.425 122.437 122.820 0.069 0.000 1.940 393 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 393 A C 2.412 179.900 177.584 -0.159 0.000 1.176 393 A CA 1.930 53.917 52.037 -0.083 0.000 0.631 393 A CB -1.340 17.718 19.000 0.097 0.000 0.814 393 A HN 0.249 nan 8.150 nan 0.000 0.446 394 V N -0.270 119.561 119.914 -0.137 0.000 2.295 394 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 394 V C 3.060 179.057 176.094 -0.161 0.000 1.049 394 V CA 2.035 64.204 62.300 -0.219 0.000 1.024 394 V CB -1.203 30.329 31.823 -0.486 0.000 0.648 394 V HN 0.629 nan 8.190 nan 0.000 0.447 395 A N 0.187 122.922 122.820 -0.143 0.000 1.873 395 A HA -0.229 4.091 4.320 -0.001 0.000 0.215 395 A C 2.284 179.854 177.584 -0.024 0.000 1.186 395 A CA 1.986 54.008 52.037 -0.026 0.000 0.616 395 A CB -0.543 18.459 19.000 0.003 0.000 0.823 395 A HN 0.423 nan 8.150 nan 0.000 0.442 396 R N 0.010 120.393 120.500 -0.195 0.000 2.237 396 R HA -0.036 4.303 4.340 -0.001 0.000 0.219 396 R C 1.806 177.602 176.300 -0.840 0.000 1.080 396 R CA 1.825 57.601 56.100 -0.540 0.000 0.995 396 R CB -1.453 28.372 30.300 -0.793 0.000 0.875 396 R HN 0.471 nan 8.270 nan 0.000 0.462 397 T N -0.461 113.776 114.554 -0.529 0.000 2.803 397 T HA -0.132 4.217 4.350 -0.001 0.000 0.269 397 T C 1.461 176.155 174.700 -0.011 0.000 1.052 397 T CA 1.945 63.979 62.100 -0.110 0.000 1.136 397 T CB -0.266 68.630 68.868 0.046 0.000 0.864 397 T HN 0.353 nan 8.240 nan 0.000 0.467 398 T N 0.930 115.460 114.554 -0.040 0.000 2.708 398 T HA -0.044 4.305 4.350 -0.001 0.000 0.266 398 T C 2.236 176.926 174.700 -0.017 0.000 1.037 398 T CA 1.383 63.474 62.100 -0.015 0.000 1.146 398 T CB -0.797 68.045 68.868 -0.045 0.000 0.865 398 T HN 0.520 nan 8.240 nan 0.000 0.435 399 G N 0.370 109.128 108.800 -0.070 0.000 2.421 399 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.216 399 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.216 399 G C 1.356 176.344 174.900 0.146 0.000 1.171 399 G CA 0.523 45.618 45.100 -0.009 0.000 0.775 399 G HN 0.411 nan 8.290 nan 0.000 0.543 400 W N 1.029 122.373 121.300 0.073 0.000 2.317 400 W HA -0.151 4.508 4.660 -0.001 0.000 0.318 400 W C 2.885 179.459 176.519 0.091 0.000 1.227 400 W CA 1.902 59.289 57.345 0.069 0.000 1.269 400 W CB -1.413 28.063 29.460 0.026 0.000 1.155 400 W HN 0.221 nan 8.180 nan 0.000 0.484 401 V N -1.807 118.284 119.914 0.296 0.000 2.515 401 V HA -0.166 3.954 4.120 -0.001 0.000 0.250 401 V C 2.001 178.259 176.094 0.274 0.000 1.058 401 V CA 2.218 64.668 62.300 0.250 0.000 1.064 401 V CB -1.079 30.800 31.823 0.093 0.000 0.675 401 V HN -0.014 nan 8.190 nan 0.000 0.461 402 S N 0.049 115.849 115.700 0.167 0.000 2.368 402 S HA -0.152 4.318 4.470 -0.001 0.000 0.224 402 S C 2.058 176.720 174.600 0.104 0.000 1.029 402 S CA 1.645 59.904 58.200 0.098 0.000 0.988 402 S CB -0.370 62.853 63.200 0.039 0.000 0.838 402 S HN 0.682 nan 8.310 nan 0.000 0.462 403 Q N -0.274 119.618 119.800 0.153 0.000 2.079 403 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 403 Q C 1.920 177.997 176.000 0.128 0.000 0.974 403 Q CA 1.143 57.026 55.803 0.133 0.000 0.840 403 Q CB -0.438 28.408 28.738 0.180 0.000 0.898 403 Q HN 0.766 nan 8.270 nan 0.000 0.430 404 W N 2.351 123.670 121.300 0.032 0.000 2.335 404 W HA -0.199 4.461 4.660 -0.001 0.000 0.311 404 W C 2.216 178.728 176.519 -0.011 0.000 1.213 404 W CA 1.808 59.153 57.345 0.000 0.000 1.274 404 W CB -0.176 29.276 29.460 -0.013 0.000 1.148 404 W HN 0.019 nan 8.180 nan 0.000 0.498 405 K N 0.379 120.677 120.400 -0.170 0.000 2.057 405 K HA -0.277 4.042 4.320 -0.001 0.000 0.207 405 K C 2.192 178.582 176.600 -0.350 0.000 1.049 405 K CA 1.966 57.972 56.287 -0.467 0.000 0.931 405 K CB -0.513 31.928 32.500 -0.099 0.000 0.714 405 K HN 0.357 nan 8.250 nan 0.000 0.440 406 E N 0.309 120.403 120.200 -0.175 0.000 2.077 406 E HA -0.228 4.122 4.350 -0.001 0.000 0.193 406 E C 2.095 178.596 176.600 -0.165 0.000 0.989 406 E CA 1.072 57.392 56.400 -0.133 0.000 0.800 406 E CB -0.061 29.602 29.700 -0.061 0.000 0.746 406 E HN 0.245 nan 8.360 nan 0.000 0.452 407 M N 0.856 120.348 119.600 -0.179 0.000 2.067 407 M HA -0.160 4.319 4.480 -0.001 0.000 0.260 407 M C 2.188 178.348 176.300 -0.234 0.000 1.069 407 M CA 1.382 56.581 55.300 -0.169 0.000 1.117 407 M CB -0.498 32.028 32.600 -0.123 0.000 1.334 407 M HN 0.286 nan 8.290 nan 0.000 0.407 408 I N 0.889 121.211 120.570 -0.414 0.000 2.676 408 I HA -0.164 4.006 4.170 -0.001 0.000 0.259 408 I C 1.747 177.686 176.117 -0.296 0.000 1.194 408 I CA 1.331 62.386 61.300 -0.408 0.000 1.473 408 I CB -0.278 37.286 38.000 -0.726 0.000 1.096 408 I HN 0.390 nan 8.210 nan 0.000 0.443 409 E N -0.220 119.811 120.200 -0.282 0.000 2.474 409 E HA -0.025 4.324 4.350 -0.001 0.000 0.194 409 E C 0.601 177.125 176.600 -0.127 0.000 1.041 409 E CA -0.111 56.176 56.400 -0.187 0.000 0.874 409 E CB 0.156 29.748 29.700 -0.179 0.000 0.914 409 E HN 0.453 nan 8.360 nan 0.000 0.498 410 E N 2.425 122.550 120.200 -0.124 0.000 2.324 410 E HA 0.074 4.423 4.350 -0.001 0.000 0.271 410 E C -2.394 174.165 176.600 -0.068 0.000 1.028 410 E CA -2.251 54.098 56.400 -0.086 0.000 0.890 410 E CB 0.655 30.307 29.700 -0.079 0.000 1.004 410 E HN -0.185 nan 8.360 nan 0.000 0.431 411 P HA 0.047 nan 4.420 nan 0.000 0.265 411 P C 0.084 177.362 177.300 -0.037 0.000 1.193 411 P CA 0.867 63.942 63.100 -0.041 0.000 0.765 411 P CB 0.698 32.378 31.700 -0.033 0.000 0.823 412 G N 1.105 109.886 108.800 -0.032 0.000 2.143 412 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.248 412 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.248 412 G C 0.239 175.120 174.900 -0.031 0.000 0.991 412 G CA -0.352 44.731 45.100 -0.027 0.000 0.689 412 G HN 0.682 nan 8.290 nan 0.000 0.522 413 Q N 0.418 120.194 119.800 -0.042 0.000 2.300 413 Q HA 0.359 4.698 4.340 -0.001 0.000 0.280 413 Q C 0.535 176.515 176.000 -0.034 0.000 1.033 413 Q CA 0.517 56.292 55.803 -0.046 0.000 0.903 413 Q CB 0.303 29.001 28.738 -0.067 0.000 1.195 413 Q HN 0.655 nan 8.270 nan 0.000 0.386 414 R N 2.968 123.450 120.500 -0.030 0.000 2.888 414 R HA 0.510 4.849 4.340 -0.001 0.000 0.266 414 R C -0.139 176.149 176.300 -0.021 0.000 1.020 414 R CA -0.984 55.103 56.100 -0.022 0.000 0.963 414 R CB 1.459 31.749 30.300 -0.018 0.000 1.197 414 R HN 0.694 nan 8.270 nan 0.000 0.481 415 I N 0.729 121.290 120.570 -0.015 0.000 2.754 415 I HA -0.006 4.164 4.170 -0.001 0.000 0.285 415 I C -0.319 175.785 176.117 -0.020 0.000 1.166 415 I CA 0.577 61.869 61.300 -0.012 0.000 1.417 415 I CB 0.971 38.968 38.000 -0.006 0.000 1.382 415 I HN 0.494 nan 8.210 nan 0.000 0.588 416 S N 7.184 122.869 115.700 -0.024 0.000 2.430 416 S HA 0.428 4.897 4.470 -0.001 0.000 0.289 416 S C -0.261 174.322 174.600 -0.027 0.000 1.143 416 S CA -0.525 57.653 58.200 -0.037 0.000 1.067 416 S CB 0.282 63.450 63.200 -0.053 0.000 0.964 416 S HN 0.420 nan 8.310 nan 0.000 0.485 417 R N 4.130 124.613 120.500 -0.028 0.000 2.810 417 R HA 0.280 4.619 4.340 -0.001 0.000 0.280 417 R C -2.747 173.531 176.300 -0.037 0.000 1.517 417 R CA -1.264 54.822 56.100 -0.024 0.000 1.063 417 R CB 0.690 30.976 30.300 -0.024 0.000 1.275 417 R HN 0.517 nan 8.270 nan 0.000 0.464 418 P HA 0.484 nan 4.420 nan 0.000 0.279 418 P C -0.392 176.843 177.300 -0.108 0.000 1.282 418 P CA -0.599 62.481 63.100 -0.034 0.000 0.788 418 P CB 1.181 32.928 31.700 0.079 0.000 1.139 419 R N -0.928 119.456 120.500 -0.194 0.000 2.981 419 R HA 0.517 4.857 4.340 -0.001 0.000 0.228 419 R C 0.304 176.544 176.300 -0.101 0.000 1.421 419 R CA -0.515 55.417 56.100 -0.278 0.000 1.073 419 R CB 0.297 30.104 30.300 -0.822 0.000 1.568 419 R HN 0.783 nan 8.270 nan 0.000 0.514 420 Q N -0.588 119.207 119.800 -0.008 0.000 2.648 420 Q HA 0.559 4.899 4.340 -0.001 0.000 0.300 420 Q C -1.526 174.610 176.000 0.226 0.000 0.954 420 Q CA -1.008 54.865 55.803 0.117 0.000 0.757 420 Q CB 1.247 30.053 28.738 0.113 0.000 1.482 420 Q HN 0.224 nan 8.270 nan 0.000 0.437 421 L N 1.779 123.152 121.223 0.250 0.000 2.294 421 L HA 0.435 4.775 4.340 -0.001 0.000 0.283 421 L C -1.669 175.306 176.870 0.176 0.000 1.015 421 L CA -0.548 54.415 54.840 0.204 0.000 0.831 421 L CB 1.013 43.131 42.059 0.098 0.000 1.217 421 L HN 0.678 nan 8.230 nan 0.000 0.420 422 Y N 6.392 126.735 120.300 0.071 0.000 2.480 422 Y HA 0.376 4.925 4.550 -0.001 0.000 0.341 422 Y C 0.839 176.753 175.900 0.023 0.000 1.031 422 Y CA -0.362 57.766 58.100 0.047 0.000 1.295 422 Y CB 0.669 39.158 38.460 0.047 0.000 1.162 422 Y HN 0.650 nan 8.280 nan 0.000 0.523 423 I N 3.461 123.690 120.570 -0.568 0.000 3.707 423 I HA 0.567 4.736 4.170 -0.001 0.000 0.330 423 I C 0.738 176.484 176.117 -0.619 0.000 1.572 423 I CA -0.396 60.620 61.300 -0.474 0.000 1.104 423 I CB 0.019 37.887 38.000 -0.220 0.000 1.240 423 I HN 0.649 nan 8.210 nan 0.000 0.475 424 G N 1.218 109.251 108.800 -1.278 0.000 2.531 424 G HA2 0.683 4.642 3.960 -0.001 0.000 0.253 424 G HA3 0.683 4.642 3.960 -0.001 0.000 0.253 424 G C -0.024 174.707 174.900 -0.282 0.000 1.439 424 G CA -0.238 44.461 45.100 -0.668 0.000 1.056 424 G HN 0.438 nan 8.290 nan 0.000 0.555 425 A N 0.522 123.355 122.820 0.021 0.000 2.445 425 A HA 0.546 4.865 4.320 -0.001 0.000 0.242 425 A C -1.350 176.352 177.584 0.198 0.000 1.075 425 A CA -0.614 51.479 52.037 0.093 0.000 0.777 425 A CB -0.275 18.779 19.000 0.091 0.000 1.013 425 A HN 0.526 nan 8.150 nan 0.000 0.493 426 P HA 0.134 nan 4.420 nan 0.000 0.277 426 P C -0.444 176.916 177.300 0.100 0.000 1.271 426 P CA -0.570 62.608 63.100 0.129 0.000 0.795 426 P CB 0.347 32.091 31.700 0.074 0.000 1.101 427 Q N 0.627 120.469 119.800 0.071 0.000 2.315 427 Q HA 0.052 4.391 4.340 -0.001 0.000 0.289 427 Q C -0.024 176.003 176.000 0.045 0.000 1.044 427 Q CA 0.358 56.190 55.803 0.047 0.000 0.920 427 Q CB 0.304 29.059 28.738 0.028 0.000 1.214 427 Q HN 0.393 nan 8.270 nan 0.000 0.392 428 R N 1.726 122.253 120.500 0.046 0.000 2.707 428 R HA 0.469 4.808 4.340 -0.001 0.000 0.272 428 R C -1.513 174.818 176.300 0.052 0.000 1.011 428 R CA -1.049 55.076 56.100 0.042 0.000 0.893 428 R CB 0.990 31.313 30.300 0.039 0.000 1.233 428 R HN 0.383 nan 8.270 nan 0.000 0.464 429 D N 1.314 121.743 120.400 0.048 0.000 2.264 429 D HA 0.090 4.730 4.640 -0.001 0.000 0.249 429 D C -0.819 175.536 176.300 0.093 0.000 1.070 429 D CA -0.134 53.910 54.000 0.072 0.000 0.912 429 D CB 0.815 41.649 40.800 0.057 0.000 1.193 429 D HN 0.404 nan 8.370 nan 0.000 0.427 430 Y N 1.406 121.710 120.300 0.007 0.000 2.526 430 Y HA 0.221 4.770 4.550 -0.001 0.000 0.330 430 Y C -0.601 175.302 175.900 0.006 0.000 1.156 430 Y CA 0.088 58.192 58.100 0.007 0.000 1.419 430 Y CB 0.490 38.953 38.460 0.005 0.000 1.250 430 Y HN 0.013 nan 8.280 nan 0.000 0.540 431 V N 9.130 128.690 119.914 -0.590 0.000 2.459 431 V HA 0.354 4.473 4.120 -0.001 0.000 0.295 431 V C -2.047 173.618 176.094 -0.714 0.000 1.029 431 V CA -2.094 59.951 62.300 -0.424 0.000 0.874 431 V CB 1.422 33.098 31.823 -0.244 0.000 0.985 431 V HN 0.752 nan 8.190 nan 0.000 0.438 432 P HA 0.051 nan 4.420 nan 0.000 0.269 432 P C 0.839 178.061 177.300 -0.130 0.000 1.209 432 P CA -0.260 62.759 63.100 -0.136 0.000 0.776 432 P CB 1.178 32.907 31.700 0.048 0.000 0.876 433 L N 3.766 124.961 121.223 -0.047 0.000 2.051 433 L HA -0.257 4.083 4.340 -0.001 0.000 0.214 433 L C 2.407 179.260 176.870 -0.028 0.000 1.076 433 L CA 2.682 57.503 54.840 -0.031 0.000 0.758 433 L CB -1.646 40.425 42.059 0.021 0.000 0.890 433 L HN 0.515 nan 8.230 nan 0.000 0.433 434 A N -1.453 121.359 122.820 -0.012 0.000 2.070 434 A HA -0.153 4.166 4.320 -0.001 0.000 0.220 434 A C 1.937 179.508 177.584 -0.022 0.000 1.159 434 A CA 1.492 53.523 52.037 -0.010 0.000 0.656 434 A CB -0.413 18.587 19.000 0.001 0.000 0.800 434 A HN 0.432 nan 8.150 nan 0.000 0.453 435 K N -0.264 120.113 120.400 -0.039 0.000 2.397 435 K HA 0.209 4.528 4.320 -0.001 0.000 0.202 435 K C 0.343 176.908 176.600 -0.058 0.000 1.022 435 K CA 0.059 56.319 56.287 -0.045 0.000 1.141 435 K CB 0.372 32.842 32.500 -0.049 0.000 0.857 435 K HN 0.476 nan 8.250 nan 0.000 0.514 436 R N 0.000 120.464 120.500 -0.060 0.000 2.786 436 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 436 R CA 0.000 56.064 56.100 -0.059 0.000 0.921 436 R CB 0.000 30.255 30.300 -0.076 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535