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 3d2p_1_B DATA FIRST_RESID 5 DATA SEQUENCE DSFVAHFREA APYIRQMRGT TLVAGIDGRL LEGGTLNKLA ADIGLLSQLG DATA SEQUENCE IRLVLIHGAY HFLDRLAAAQ GRTPHYCRGL RVTDETSLGQ AQQFAGTVRS DATA SEQUENCE RFEAALCGSV SGFARAPSVP LVSGNFLTAR PIGVIDGTDM EYAGVIRKTD DATA SEQUENCE TAALRFQLDA GNIVWMPPLG HSYGGKTFNL DMVQAAASVA VSLQAEKLVY DATA SEQUENCE LTLSDGISRP DGTLAETLSA QEAQSLAEHA ASETRRLISS AVAALEGGVH DATA SEQUENCE RVQILNGAAD GSLLQELFTR NGIGTSIAKE AFVSIRQAHS GDIPHIAALI DATA SEQUENCE RPLXXXXILL HRSREYLENH ISEFSILEHD GNLYGCAALK TFAEADCGEI DATA SEQUENCE ACLAVSPQAQ DGGYGERLLA HIIDKARGIG ISRLFALSTN TGEWFAERGF DATA SEQUENCE QTASEDELPE TRRKDYRXXX XNSHILVRRL HR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.239 176.300 -0.102 0.000 2.045 5 D CA 0.000 53.931 54.000 -0.115 0.000 0.868 5 D CB 0.000 40.587 40.800 -0.356 0.000 0.688 6 S N -0.106 115.536 115.700 -0.096 0.000 2.580 6 S HA 0.097 4.567 4.470 -0.000 0.000 0.266 6 S C 1.462 176.093 174.600 0.051 0.000 1.354 6 S CA -0.360 57.849 58.200 0.015 0.000 1.008 6 S CB 0.377 63.591 63.200 0.024 0.000 0.898 6 S HN 0.469 nan 8.310 nan 0.000 0.555 7 F N 1.889 121.866 119.950 0.044 0.000 2.095 7 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 7 F C 2.055 177.926 175.800 0.119 0.000 1.104 7 F CA 1.848 59.913 58.000 0.108 0.000 1.232 7 F CB -0.723 38.310 39.000 0.056 0.000 0.987 7 F HN 0.412 nan 8.300 nan 0.000 0.475 8 V N 0.849 120.857 119.914 0.156 0.000 2.255 8 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 8 V C 2.811 178.912 176.094 0.011 0.000 1.051 8 V CA 2.018 64.364 62.300 0.077 0.000 1.018 8 V CB -1.662 30.239 31.823 0.130 0.000 0.641 8 V HN 0.518 nan 8.190 nan 0.000 0.445 9 A N -0.988 121.808 122.820 -0.040 0.000 1.940 9 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 9 A C 1.969 179.507 177.584 -0.077 0.000 1.176 9 A CA 2.342 54.331 52.037 -0.081 0.000 0.631 9 A CB -0.883 18.021 19.000 -0.159 0.000 0.814 9 A HN 0.769 nan 8.150 nan 0.000 0.446 10 H N -3.197 115.857 119.070 -0.028 0.000 2.428 10 H HA 0.010 4.566 4.556 0.000 0.000 0.296 10 H C 1.765 177.048 175.328 -0.075 0.000 1.062 10 H CA 1.327 57.348 56.048 -0.045 0.000 1.350 10 H CB -0.100 29.630 29.762 -0.053 0.000 1.403 10 H HN 0.591 nan 8.280 nan 0.000 0.533 11 F N 1.406 121.216 119.950 -0.234 0.000 2.259 11 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 11 F C 2.150 177.893 175.800 -0.095 0.000 1.088 11 F CA 0.815 58.659 58.000 -0.261 0.000 1.358 11 F CB 0.150 38.860 39.000 -0.483 0.000 1.040 11 F HN -0.070 nan 8.300 nan 0.000 0.505 12 R N 0.195 120.732 120.500 0.061 0.000 2.096 12 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 12 R C 2.114 178.396 176.300 -0.031 0.000 1.127 12 R CA 1.630 57.739 56.100 0.014 0.000 0.968 12 R CB -0.688 29.643 30.300 0.052 0.000 0.861 12 R HN 0.454 nan 8.270 nan 0.000 0.440 13 E N 0.473 120.683 120.200 0.017 0.000 2.216 13 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 13 E C 1.630 178.280 176.600 0.084 0.000 0.988 13 E CA 0.812 57.251 56.400 0.066 0.000 0.834 13 E CB 0.143 29.933 29.700 0.150 0.000 0.772 13 E HN 0.311 nan 8.360 nan 0.000 0.479 14 A N 0.691 123.506 122.820 -0.008 0.000 1.984 14 A HA 0.266 4.586 4.320 -0.000 0.000 0.214 14 A C 2.258 179.807 177.584 -0.059 0.000 1.173 14 A CA 0.886 52.953 52.037 0.049 0.000 0.673 14 A CB -0.270 18.673 19.000 -0.096 0.000 0.830 14 A HN 0.349 nan 8.150 nan 0.000 0.453 15 A N 1.006 123.621 122.820 -0.341 0.000 1.858 15 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 15 A C 0.220 177.709 177.584 -0.158 0.000 1.190 15 A CA 1.765 53.563 52.037 -0.399 0.000 0.617 15 A CB -1.677 16.969 19.000 -0.591 0.000 0.827 15 A HN 0.422 nan 8.150 nan 0.000 0.443 16 P HA -0.206 nan 4.420 nan 0.000 0.216 16 P C 1.007 178.242 177.300 -0.109 0.000 1.154 16 P CA 1.512 64.515 63.100 -0.163 0.000 0.865 16 P CB -0.330 31.206 31.700 -0.272 0.000 0.789 17 Y N -1.011 119.321 120.300 0.053 0.000 2.352 17 Y HA -0.106 4.444 4.550 0.000 0.000 0.292 17 Y C 2.470 178.481 175.900 0.185 0.000 1.136 17 Y CA 0.362 58.524 58.100 0.104 0.000 1.227 17 Y CB -0.861 37.682 38.460 0.138 0.000 0.991 17 Y HN -0.124 nan 8.280 nan 0.000 0.545 18 I N -0.485 120.282 120.570 0.328 0.000 2.202 18 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 18 I C 2.713 178.901 176.117 0.119 0.000 1.091 18 I CA 1.014 62.448 61.300 0.223 0.000 1.368 18 I CB -0.388 37.635 38.000 0.038 0.000 1.058 18 I HN 0.101 nan 8.210 nan 0.000 0.410 19 R N 1.150 121.683 120.500 0.054 0.000 2.119 19 R HA -0.241 4.099 4.340 -0.000 0.000 0.246 19 R C 2.078 178.402 176.300 0.040 0.000 1.146 19 R CA 2.073 58.190 56.100 0.029 0.000 0.962 19 R CB -0.347 29.951 30.300 -0.004 0.000 0.863 19 R HN 0.539 nan 8.270 nan 0.000 0.442 20 Q N -1.230 118.605 119.800 0.059 0.000 2.123 20 Q HA 0.015 4.355 4.340 -0.000 0.000 0.196 20 Q C 2.204 178.235 176.000 0.052 0.000 0.958 20 Q CA 0.825 56.658 55.803 0.050 0.000 0.841 20 Q CB 0.020 28.798 28.738 0.067 0.000 0.915 20 Q HN 0.229 nan 8.270 nan 0.000 0.455 21 M N 0.831 120.485 119.600 0.090 0.000 2.175 21 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 21 M C 1.151 177.476 176.300 0.041 0.000 1.063 21 M CA 0.839 56.170 55.300 0.051 0.000 1.119 21 M CB -0.834 31.812 32.600 0.077 0.000 1.377 21 M HN 0.094 nan 8.290 nan 0.000 0.415 22 R N 0.763 121.300 120.500 0.062 0.000 2.502 22 R HA 0.139 4.479 4.340 -0.000 0.000 0.292 22 R C 0.982 177.289 176.300 0.011 0.000 0.998 22 R CA 1.174 57.298 56.100 0.040 0.000 1.056 22 R CB 0.037 30.363 30.300 0.042 0.000 0.939 22 R HN 0.580 nan 8.270 nan 0.000 0.411 23 G N 2.515 111.314 108.800 -0.002 0.000 2.225 23 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 23 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 23 G C 0.293 175.170 174.900 -0.037 0.000 0.988 23 G CA 0.458 45.547 45.100 -0.019 0.000 0.625 23 G HN 0.676 nan 8.290 nan 0.000 0.527 24 T N 1.665 116.194 114.554 -0.042 0.000 2.899 24 T HA 0.537 4.887 4.350 -0.000 0.000 0.295 24 T C 0.438 175.090 174.700 -0.081 0.000 1.033 24 T CA 0.948 63.004 62.100 -0.075 0.000 1.084 24 T CB 1.030 69.855 68.868 -0.072 0.000 0.979 24 T HN 0.225 nan 8.240 nan 0.000 0.532 25 T N 3.399 117.887 114.554 -0.110 0.000 2.824 25 T HA 0.586 4.936 4.350 -0.000 0.000 0.280 25 T C -0.717 173.910 174.700 -0.121 0.000 0.995 25 T CA -0.561 61.475 62.100 -0.106 0.000 1.009 25 T CB 0.733 69.535 68.868 -0.109 0.000 0.955 25 T HN 0.381 nan 8.240 nan 0.000 0.452 26 L N 3.774 124.932 121.223 -0.109 0.000 2.376 26 L HA 0.638 4.978 4.340 -0.000 0.000 0.275 26 L C -1.186 175.606 176.870 -0.130 0.000 0.987 26 L CA -0.856 53.910 54.840 -0.122 0.000 0.828 26 L CB 1.248 43.244 42.059 -0.105 0.000 1.249 26 L HN 0.400 nan 8.230 nan 0.000 0.409 27 V N 4.466 124.284 119.914 -0.159 0.000 2.383 27 V HA 0.585 4.705 4.120 -0.000 0.000 0.275 27 V C 0.442 176.405 176.094 -0.219 0.000 1.036 27 V CA -0.409 61.783 62.300 -0.179 0.000 0.889 27 V CB 1.190 32.904 31.823 -0.182 0.000 0.985 27 V HN 0.818 nan 8.190 nan 0.000 0.459 28 A N 3.916 126.618 122.820 -0.196 0.000 2.271 28 A HA 0.748 5.068 4.320 -0.000 0.000 0.317 28 A C 0.490 177.957 177.584 -0.195 0.000 1.245 28 A CA -0.212 51.710 52.037 -0.192 0.000 0.857 28 A CB 0.894 19.817 19.000 -0.129 0.000 1.175 28 A HN 1.005 nan 8.150 nan 0.000 0.512 29 G N 2.377 111.068 108.800 -0.182 0.000 2.404 29 G HA2 0.526 4.486 3.960 -0.000 0.000 0.316 29 G HA3 0.526 4.486 3.960 -0.000 0.000 0.316 29 G C -0.397 174.525 174.900 0.037 0.000 1.074 29 G CA -0.306 44.773 45.100 -0.034 0.000 0.989 29 G HN 0.674 nan 8.290 nan 0.000 0.430 30 I N 2.208 122.763 120.570 -0.024 0.000 2.331 30 I HA 0.132 4.302 4.170 -0.000 0.000 0.292 30 I C 0.234 176.395 176.117 0.073 0.000 0.998 30 I CA -0.849 60.464 61.300 0.023 0.000 1.267 30 I CB 1.661 39.654 38.000 -0.013 0.000 1.386 30 I HN 0.342 nan 8.210 nan 0.000 0.476 31 D N 5.104 125.557 120.400 0.088 0.000 2.531 31 D HA -0.052 4.588 4.640 -0.000 0.000 0.239 31 D C 1.289 177.679 176.300 0.150 0.000 1.144 31 D CA 0.529 54.590 54.000 0.101 0.000 0.869 31 D CB 1.554 42.384 40.800 0.051 0.000 1.160 31 D HN 0.808 nan 8.370 nan 0.000 0.484 32 G N 4.591 113.532 108.800 0.235 0.000 2.505 32 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 32 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 32 G C 1.619 176.677 174.900 0.265 0.000 1.145 32 G CA 0.615 45.925 45.100 0.350 0.000 0.761 32 G HN 0.547 nan 8.290 nan 0.000 0.571 33 R N -0.355 120.237 120.500 0.152 0.000 2.200 33 R HA 0.102 4.442 4.340 -0.000 0.000 0.234 33 R C 2.407 178.765 176.300 0.096 0.000 1.127 33 R CA 0.547 56.706 56.100 0.098 0.000 0.989 33 R CB -0.290 29.992 30.300 -0.031 0.000 0.869 33 R HN 0.378 nan 8.270 nan 0.000 0.459 34 L N -0.004 121.279 121.223 0.100 0.000 2.418 34 L HA -0.007 4.333 4.340 -0.000 0.000 0.218 34 L C 0.642 177.584 176.870 0.120 0.000 1.125 34 L CA 0.383 55.281 54.840 0.096 0.000 0.835 34 L CB 0.038 42.154 42.059 0.095 0.000 0.953 34 L HN 0.147 nan 8.230 nan 0.000 0.454 35 L N 0.680 121.987 121.223 0.139 0.000 2.873 35 L HA 0.063 4.403 4.340 -0.000 0.000 0.236 35 L C 1.078 178.005 176.870 0.095 0.000 1.375 35 L CA 0.119 55.041 54.840 0.136 0.000 1.239 35 L CB -0.467 41.665 42.059 0.121 0.000 1.603 35 L HN 0.347 nan 8.230 nan 0.000 0.430 36 E N -1.495 118.757 120.200 0.088 0.000 3.297 36 E HA 0.161 4.511 4.350 -0.000 0.000 0.232 36 E C 1.170 177.799 176.600 0.048 0.000 1.143 36 E CA 0.186 56.626 56.400 0.067 0.000 1.741 36 E CB 0.038 29.791 29.700 0.088 0.000 1.925 36 E HN 0.221 nan 8.360 nan 0.000 0.924 37 G N 0.855 109.685 108.800 0.050 0.000 2.735 37 G HA2 0.294 4.254 3.960 -0.000 0.000 0.192 37 G HA3 0.294 4.254 3.960 -0.000 0.000 0.192 37 G C 1.067 175.981 174.900 0.024 0.000 1.547 37 G CA 0.067 45.188 45.100 0.035 0.000 1.080 37 G HN 0.225 nan 8.290 nan 0.000 0.569 38 G N -0.719 108.092 108.800 0.019 0.000 2.462 38 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 38 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 38 G C 1.866 176.777 174.900 0.018 0.000 1.121 38 G CA 2.363 47.471 45.100 0.012 0.000 0.758 38 G HN 0.819 nan 8.290 nan 0.000 0.559 39 T N -0.547 114.026 114.554 0.032 0.000 2.777 39 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 39 T C 2.289 177.022 174.700 0.055 0.000 1.040 39 T CA 0.941 63.067 62.100 0.043 0.000 1.141 39 T CB -0.346 68.554 68.868 0.052 0.000 0.868 39 T HN 0.144 nan 8.240 nan 0.000 0.444 40 L N 1.486 122.746 121.223 0.062 0.000 1.978 40 L HA -0.254 4.086 4.340 -0.000 0.000 0.218 40 L C 2.588 179.472 176.870 0.023 0.000 1.075 40 L CA 2.243 57.130 54.840 0.077 0.000 0.767 40 L CB -0.750 41.342 42.059 0.055 0.000 0.890 40 L HN 0.312 nan 8.230 nan 0.000 0.434 41 N N 0.064 118.753 118.700 -0.018 0.000 2.094 41 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 41 N C 1.671 177.160 175.510 -0.036 0.000 1.023 41 N CA 1.300 54.317 53.050 -0.054 0.000 0.857 41 N CB -0.277 38.181 38.487 -0.049 0.000 1.013 41 N HN 0.388 nan 8.380 nan 0.000 0.426 42 K N 0.800 121.198 120.400 -0.003 0.000 2.002 42 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 42 K C 2.137 178.757 176.600 0.034 0.000 1.048 42 K CA 0.497 56.790 56.287 0.010 0.000 0.930 42 K CB -0.750 31.763 32.500 0.021 0.000 0.714 42 K HN 0.087 nan 8.250 nan 0.000 0.438 43 L N 1.245 122.511 121.223 0.071 0.000 2.013 43 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 43 L C 2.402 179.356 176.870 0.139 0.000 1.073 43 L CA 1.969 56.887 54.840 0.131 0.000 0.753 43 L CB -0.785 41.397 42.059 0.205 0.000 0.890 43 L HN 0.196 nan 8.230 nan 0.000 0.432 44 A N -1.154 121.694 122.820 0.047 0.000 1.902 44 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 44 A C 2.428 179.967 177.584 -0.075 0.000 1.181 44 A CA 1.754 53.711 52.037 -0.134 0.000 0.623 44 A CB -1.042 17.689 19.000 -0.449 0.000 0.818 44 A HN 0.485 nan 8.150 nan 0.000 0.443 45 A N -0.186 122.600 122.820 -0.056 0.000 1.902 45 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 45 A C 1.795 179.380 177.584 0.002 0.000 1.181 45 A CA 1.982 53.994 52.037 -0.042 0.000 0.623 45 A CB -0.522 18.449 19.000 -0.047 0.000 0.818 45 A HN 0.445 nan 8.150 nan 0.000 0.443 46 D N -0.218 120.202 120.400 0.033 0.000 2.123 46 D HA -0.030 4.610 4.640 -0.000 0.000 0.200 46 D C 1.857 178.210 176.300 0.089 0.000 0.976 46 D CA 0.797 54.832 54.000 0.059 0.000 0.831 46 D CB -0.285 40.556 40.800 0.069 0.000 0.974 46 D HN 0.471 nan 8.370 nan 0.000 0.469 47 I N 0.912 121.555 120.570 0.121 0.000 2.208 47 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 47 I C 2.449 178.644 176.117 0.129 0.000 1.097 47 I CA 1.274 62.670 61.300 0.161 0.000 1.363 47 I CB -0.468 37.706 38.000 0.290 0.000 1.051 47 I HN 0.034 nan 8.210 nan 0.000 0.413 48 G N 1.089 109.940 108.800 0.085 0.000 2.491 48 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 48 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 48 G C 1.704 176.631 174.900 0.045 0.000 1.180 48 G CA 0.610 45.739 45.100 0.048 0.000 0.774 48 G HN 0.259 nan 8.290 nan 0.000 0.562 49 L N 0.031 121.277 121.223 0.038 0.000 1.990 49 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 49 L C 3.051 179.955 176.870 0.056 0.000 1.072 49 L CA 1.147 56.007 54.840 0.033 0.000 0.755 49 L CB -0.445 41.629 42.059 0.025 0.000 0.889 49 L HN 0.245 nan 8.230 nan 0.000 0.432 50 L N -0.961 120.318 121.223 0.094 0.000 2.051 50 L HA -0.319 4.021 4.340 -0.000 0.000 0.214 50 L C 2.810 179.735 176.870 0.091 0.000 1.076 50 L CA 1.768 56.683 54.840 0.126 0.000 0.758 50 L CB -0.813 41.323 42.059 0.130 0.000 0.890 50 L HN 0.352 nan 8.230 nan 0.000 0.433 51 S N -0.603 115.142 115.700 0.076 0.000 2.368 51 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 51 S C 1.927 176.554 174.600 0.046 0.000 1.030 51 S CA 1.366 59.603 58.200 0.061 0.000 0.999 51 S CB -0.075 63.166 63.200 0.067 0.000 0.844 51 S HN 0.478 nan 8.310 nan 0.000 0.459 52 Q N 0.020 119.845 119.800 0.042 0.000 2.297 52 Q HA 0.149 4.489 4.340 -0.000 0.000 0.204 52 Q C 1.624 177.642 176.000 0.030 0.000 0.962 52 Q CA 0.797 56.618 55.803 0.029 0.000 0.879 52 Q CB -0.161 28.590 28.738 0.021 0.000 0.947 52 Q HN 0.555 nan 8.270 nan 0.000 0.462 53 L N -0.393 120.855 121.223 0.041 0.000 2.675 53 L HA 0.139 4.479 4.340 -0.000 0.000 0.239 53 L C 1.004 177.909 176.870 0.058 0.000 1.151 53 L CA 0.329 55.198 54.840 0.048 0.000 0.905 53 L CB -0.470 41.627 42.059 0.064 0.000 1.057 53 L HN 0.317 nan 8.230 nan 0.000 0.435 54 G N 0.988 109.814 108.800 0.044 0.000 2.160 54 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.251 54 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.251 54 G C 0.141 175.059 174.900 0.030 0.000 1.008 54 G CA -0.125 44.993 45.100 0.031 0.000 0.724 54 G HN 0.339 nan 8.290 nan 0.000 0.514 55 I N 0.259 120.856 120.570 0.045 0.000 2.474 55 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 55 I C 1.126 177.246 176.117 0.005 0.000 1.048 55 I CA -0.517 60.799 61.300 0.027 0.000 1.383 55 I CB 0.754 38.779 38.000 0.042 0.000 1.412 55 I HN 0.048 nan 8.210 nan 0.000 0.531 56 R N 6.540 127.028 120.500 -0.020 0.000 2.216 56 R HA 0.538 4.878 4.340 -0.000 0.000 0.332 56 R C -1.201 175.074 176.300 -0.041 0.000 1.056 56 R CA -0.287 55.792 56.100 -0.034 0.000 0.901 56 R CB 0.419 30.688 30.300 -0.052 0.000 1.039 56 R HN 0.475 nan 8.270 nan 0.000 0.456 57 L N 3.292 124.499 121.223 -0.027 0.000 2.333 57 L HA 0.510 4.850 4.340 -0.000 0.000 0.280 57 L C -0.783 176.061 176.870 -0.044 0.000 1.004 57 L CA -1.015 53.808 54.840 -0.029 0.000 0.820 57 L CB 2.103 44.172 42.059 0.016 0.000 1.247 57 L HN 0.295 nan 8.230 nan 0.000 0.416 58 V N 4.973 124.836 119.914 -0.084 0.000 2.407 58 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 58 V C -0.137 175.863 176.094 -0.156 0.000 1.018 58 V CA -0.386 61.845 62.300 -0.114 0.000 0.842 58 V CB 1.781 33.518 31.823 -0.142 0.000 0.996 58 V HN 0.514 nan 8.190 nan 0.000 0.426 59 L N 6.253 127.356 121.223 -0.202 0.000 2.329 59 L HA 0.699 5.039 4.340 -0.000 0.000 0.279 59 L C -0.736 175.799 176.870 -0.558 0.000 1.014 59 L CA -0.554 54.069 54.840 -0.361 0.000 0.814 59 L CB 1.957 43.763 42.059 -0.420 0.000 1.257 59 L HN 0.486 nan 8.230 nan 0.000 0.424 60 I N 1.598 121.867 120.570 -0.502 0.000 2.534 60 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 60 I C -0.564 175.320 176.117 -0.389 0.000 1.094 60 I CA -0.733 60.277 61.300 -0.484 0.000 1.055 60 I CB 1.743 39.567 38.000 -0.294 0.000 1.225 60 I HN 0.678 nan 8.210 nan 0.000 0.435 61 H N 3.740 122.537 119.070 -0.456 0.000 2.508 61 H HA 0.837 5.393 4.556 0.000 0.000 0.358 61 H C 0.149 175.445 175.328 -0.055 0.000 1.212 61 H CA -0.552 55.366 56.048 -0.216 0.000 1.356 61 H CB 1.154 30.820 29.762 -0.160 0.000 1.525 61 H HN 0.589 nan 8.280 nan 0.000 0.578 62 G N -1.328 107.560 108.800 0.148 0.000 2.601 62 G HA2 0.533 4.493 3.960 -0.000 0.000 0.317 62 G HA3 0.533 4.493 3.960 -0.000 0.000 0.317 62 G C -0.215 174.914 174.900 0.383 0.000 1.246 62 G CA -0.765 44.398 45.100 0.106 0.000 1.012 62 G HN 1.104 nan 8.290 nan 0.000 0.494 63 A N -1.989 121.010 122.820 0.300 0.000 2.654 63 A HA 0.262 4.582 4.320 -0.000 0.000 0.203 63 A C 1.026 178.802 177.584 0.321 0.000 1.306 63 A CA -0.155 52.084 52.037 0.337 0.000 1.041 63 A CB -0.565 18.689 19.000 0.423 0.000 1.217 63 A HN 0.617 nan 8.150 nan 0.000 0.510 64 Y N 0.250 120.632 120.300 0.136 0.000 2.224 64 Y HA -0.243 4.307 4.550 -0.000 0.000 0.289 64 Y C 2.688 178.584 175.900 -0.006 0.000 1.146 64 Y CA 1.333 59.461 58.100 0.047 0.000 1.182 64 Y CB -0.128 38.339 38.460 0.012 0.000 0.983 64 Y HN 0.498 nan 8.280 nan 0.000 0.524 65 H N -1.458 117.751 119.070 0.232 0.000 2.389 65 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 65 H C 2.073 177.436 175.328 0.060 0.000 1.081 65 H CA 1.677 57.803 56.048 0.130 0.000 1.345 65 H CB -0.505 29.330 29.762 0.121 0.000 1.393 65 H HN 0.374 nan 8.280 nan 0.000 0.520 66 F N 1.663 121.605 119.950 -0.013 0.000 2.206 66 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 66 F C 2.185 177.871 175.800 -0.190 0.000 1.090 66 F CA 0.716 58.585 58.000 -0.219 0.000 1.323 66 F CB -0.371 38.189 39.000 -0.734 0.000 1.028 66 F HN -0.070 nan 8.300 nan 0.000 0.492 67 L N -0.090 121.102 121.223 -0.052 0.000 2.141 67 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 67 L C 1.962 178.735 176.870 -0.161 0.000 1.094 67 L CA 1.127 55.903 54.840 -0.107 0.000 0.763 67 L CB -0.752 41.323 42.059 0.026 0.000 0.908 67 L HN 0.062 nan 8.230 nan 0.000 0.437 68 D N -0.180 120.161 120.400 -0.099 0.000 2.103 68 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 68 D C 2.302 178.535 176.300 -0.112 0.000 0.978 68 D CA 0.921 54.872 54.000 -0.081 0.000 0.829 68 D CB 0.002 40.787 40.800 -0.025 0.000 0.981 68 D HN 0.083 nan 8.370 nan 0.000 0.464 69 R N 0.195 120.616 120.500 -0.131 0.000 2.080 69 R HA -0.063 4.277 4.340 -0.000 0.000 0.236 69 R C 2.365 178.531 176.300 -0.222 0.000 1.137 69 R CA 0.710 56.721 56.100 -0.148 0.000 0.943 69 R CB -0.485 29.736 30.300 -0.132 0.000 0.846 69 R HN 0.150 nan 8.270 nan 0.000 0.431 70 L N 0.211 121.199 121.223 -0.392 0.000 2.081 70 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 70 L C 2.279 179.025 176.870 -0.206 0.000 1.080 70 L CA 2.005 56.620 54.840 -0.376 0.000 0.754 70 L CB -0.752 40.945 42.059 -0.604 0.000 0.893 70 L HN 0.373 nan 8.230 nan 0.000 0.433 71 A N -0.500 122.215 122.820 -0.175 0.000 1.841 71 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 71 A C 2.503 180.028 177.584 -0.099 0.000 1.195 71 A CA 1.722 53.688 52.037 -0.118 0.000 0.611 71 A CB -0.872 18.059 19.000 -0.115 0.000 0.835 71 A HN 0.484 nan 8.150 nan 0.000 0.443 72 A N 0.123 122.884 122.820 -0.099 0.000 1.869 72 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 72 A C 2.502 180.046 177.584 -0.066 0.000 1.203 72 A CA 2.873 54.864 52.037 -0.077 0.000 0.638 72 A CB -1.348 17.611 19.000 -0.067 0.000 0.831 72 A HN 1.356 nan 8.150 nan 0.000 0.450 73 A N -0.558 122.216 122.820 -0.077 0.000 2.139 73 A HA -0.128 4.192 4.320 -0.000 0.000 0.221 73 A C 1.672 179.225 177.584 -0.051 0.000 1.159 73 A CA 1.686 53.685 52.037 -0.063 0.000 0.662 73 A CB -0.505 18.450 19.000 -0.075 0.000 0.796 73 A HN 0.862 nan 8.150 nan 0.000 0.463 74 Q N -2.854 116.913 119.800 -0.055 0.000 2.217 74 Q HA 0.459 4.799 4.340 -0.000 0.000 0.340 74 Q C 0.624 176.603 176.000 -0.034 0.000 0.893 74 Q CA 0.228 56.007 55.803 -0.039 0.000 1.142 74 Q CB -0.194 28.521 28.738 -0.038 0.000 1.288 74 Q HN 0.860 nan 8.270 nan 0.000 0.426 75 G N 2.244 111.024 108.800 -0.035 0.000 2.284 75 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.247 75 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.247 75 G C 0.097 174.979 174.900 -0.030 0.000 1.012 75 G CA 0.240 45.324 45.100 -0.027 0.000 0.618 75 G HN 0.542 nan 8.290 nan 0.000 0.521 76 R N 1.355 121.831 120.500 -0.040 0.000 2.207 76 R HA 0.560 4.900 4.340 -0.000 0.000 0.334 76 R C 0.190 176.429 176.300 -0.101 0.000 1.013 76 R CA 0.078 56.151 56.100 -0.045 0.000 0.858 76 R CB 0.802 31.091 30.300 -0.019 0.000 1.094 76 R HN 0.393 nan 8.270 nan 0.000 0.457 77 T N 1.017 115.489 114.554 -0.137 0.000 2.832 77 T HA 0.276 4.626 4.350 -0.000 0.000 0.296 77 T C -1.736 172.693 174.700 -0.452 0.000 0.968 77 T CA -1.770 60.204 62.100 -0.211 0.000 1.107 77 T CB 0.889 69.667 68.868 -0.149 0.000 0.916 77 T HN 0.469 nan 8.240 nan 0.000 0.517 78 P HA 0.240 nan 4.420 nan 0.000 0.276 78 P C -1.012 176.067 177.300 -0.369 0.000 1.235 78 P CA -0.311 62.584 63.100 -0.342 0.000 0.772 78 P CB 0.135 31.758 31.700 -0.128 0.000 0.871 79 H N 1.723 120.744 119.070 -0.081 0.000 2.488 79 H HA 0.449 5.005 4.556 -0.000 0.000 0.322 79 H C -0.523 174.709 175.328 -0.161 0.000 1.078 79 H CA -0.276 55.748 56.048 -0.040 0.000 1.260 79 H CB 0.341 30.076 29.762 -0.045 0.000 1.425 79 H HN 0.341 nan 8.280 nan 0.000 0.471 80 Y N 0.706 121.024 120.300 0.030 0.000 2.409 80 Y HA 0.388 4.938 4.550 -0.000 0.000 0.339 80 Y C -0.206 175.702 175.900 0.014 0.000 1.033 80 Y CA -0.932 57.164 58.100 -0.007 0.000 1.094 80 Y CB 1.794 40.232 38.460 -0.036 0.000 1.210 80 Y HN 0.655 nan 8.280 nan 0.000 0.456 81 C N 5.245 124.626 119.300 0.134 0.000 2.386 81 C HA 0.506 4.966 4.460 -0.000 0.000 0.318 81 C C 0.644 175.679 174.990 0.074 0.000 1.128 81 C CA -0.787 58.276 59.018 0.075 0.000 1.438 81 C CB -1.235 26.518 27.740 0.022 0.000 1.987 81 C HN 1.022 nan 8.230 nan 0.000 0.426 82 R N 3.275 123.818 120.500 0.072 0.000 3.875 82 R HA -0.186 4.154 4.340 -0.000 0.000 0.321 82 R C 1.159 177.502 176.300 0.072 0.000 1.196 82 R CA 1.497 57.630 56.100 0.055 0.000 0.868 82 R CB -1.444 28.876 30.300 0.034 0.000 1.333 82 R HN 1.875 nan 8.270 nan 0.000 0.522 83 G N -1.584 107.289 108.800 0.121 0.000 2.339 83 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.209 83 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.209 83 G C -0.170 174.897 174.900 0.277 0.000 1.015 83 G CA -0.027 45.162 45.100 0.149 0.000 0.635 83 G HN 0.122 nan 8.290 nan 0.000 0.499 84 L N 1.371 122.711 121.223 0.195 0.000 2.343 84 L HA 0.662 5.002 4.340 -0.000 0.000 0.275 84 L C 1.116 177.942 176.870 -0.074 0.000 1.056 84 L CA -0.755 54.176 54.840 0.153 0.000 0.804 84 L CB 1.315 43.433 42.059 0.097 0.000 1.203 84 L HN 0.290 nan 8.230 nan 0.000 0.440 85 R N 1.038 121.318 120.500 -0.366 0.000 2.537 85 R HA 0.290 4.630 4.340 -0.000 0.000 0.280 85 R C -1.056 174.993 176.300 -0.418 0.000 1.058 85 R CA -0.459 55.110 56.100 -0.884 0.000 1.057 85 R CB 0.641 30.259 30.300 -1.137 0.000 0.973 85 R HN 0.405 nan 8.270 nan 0.000 0.438 86 V N 3.953 123.652 119.914 -0.358 0.000 2.508 86 V HA 0.101 4.221 4.120 -0.000 0.000 0.281 86 V C 0.199 176.217 176.094 -0.128 0.000 1.041 86 V CA 0.253 62.463 62.300 -0.150 0.000 1.016 86 V CB 1.438 33.226 31.823 -0.058 0.000 0.984 86 V HN 0.774 nan 8.190 nan 0.000 0.478 87 T N 4.346 118.884 114.554 -0.026 0.000 2.864 87 T HA 0.340 4.690 4.350 -0.000 0.000 0.310 87 T C -0.373 174.417 174.700 0.149 0.000 1.040 87 T CA -0.714 61.408 62.100 0.036 0.000 0.977 87 T CB 0.579 69.486 68.868 0.066 0.000 0.976 87 T HN 0.916 nan 8.240 nan 0.000 0.459 88 D N 1.345 121.814 120.400 0.115 0.000 2.358 88 D HA 0.130 4.770 4.640 -0.000 0.000 0.244 88 D C 1.257 177.630 176.300 0.122 0.000 1.163 88 D CA -0.729 53.373 54.000 0.170 0.000 0.945 88 D CB 0.839 41.698 40.800 0.097 0.000 1.152 88 D HN 0.450 nan 8.370 nan 0.000 0.451 89 E N 0.100 120.367 120.200 0.111 0.000 2.149 89 E HA -0.337 4.013 4.350 -0.000 0.000 0.215 89 E C 1.487 178.013 176.600 -0.124 0.000 1.055 89 E CA 2.501 58.796 56.400 -0.175 0.000 0.870 89 E CB -0.146 29.506 29.700 -0.081 0.000 0.764 89 E HN 0.624 nan 8.360 nan 0.000 0.463 90 T N -0.390 114.141 114.554 -0.038 0.000 2.720 90 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 90 T C 2.040 176.731 174.700 -0.016 0.000 1.037 90 T CA 1.341 63.426 62.100 -0.025 0.000 1.144 90 T CB -0.224 68.640 68.868 -0.006 0.000 0.864 90 T HN 0.088 nan 8.240 nan 0.000 0.444 91 S N 0.925 116.621 115.700 -0.007 0.000 2.345 91 S HA 0.048 4.518 4.470 -0.000 0.000 0.220 91 S C 1.946 176.559 174.600 0.023 0.000 1.031 91 S CA 0.412 58.618 58.200 0.010 0.000 0.996 91 S CB -0.527 62.675 63.200 0.003 0.000 0.882 91 S HN 0.298 nan 8.310 nan 0.000 0.445 92 L N 1.721 122.934 121.223 -0.016 0.000 2.010 92 L HA -0.209 4.131 4.340 -0.000 0.000 0.219 92 L C 2.352 179.202 176.870 -0.035 0.000 1.077 92 L CA 2.475 57.285 54.840 -0.050 0.000 0.773 92 L CB -1.765 40.150 42.059 -0.241 0.000 0.892 92 L HN 0.456 nan 8.230 nan 0.000 0.436 93 G N -1.042 107.716 108.800 -0.069 0.000 2.476 93 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 93 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 93 G C 1.396 176.322 174.900 0.044 0.000 1.164 93 G CA 0.935 46.016 45.100 -0.032 0.000 0.768 93 G HN 0.574 nan 8.290 nan 0.000 0.560 94 Q N 0.043 119.890 119.800 0.078 0.000 2.230 94 Q HA 0.235 4.575 4.340 -0.000 0.000 0.202 94 Q C 2.887 179.036 176.000 0.249 0.000 0.963 94 Q CA 0.923 56.827 55.803 0.168 0.000 0.866 94 Q CB -0.144 28.698 28.738 0.174 0.000 0.931 94 Q HN 0.496 nan 8.270 nan 0.000 0.452 95 A N 0.786 123.727 122.820 0.202 0.000 1.898 95 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 95 A C 1.941 179.674 177.584 0.248 0.000 1.181 95 A CA 1.298 53.492 52.037 0.262 0.000 0.620 95 A CB -0.376 18.742 19.000 0.198 0.000 0.819 95 A HN 0.311 nan 8.150 nan 0.000 0.442 96 Q N -0.499 119.390 119.800 0.149 0.000 2.135 96 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 96 Q C 2.277 178.350 176.000 0.122 0.000 0.981 96 Q CA 1.906 57.778 55.803 0.114 0.000 0.856 96 Q CB -0.213 28.557 28.738 0.054 0.000 0.902 96 Q HN 0.779 nan 8.270 nan 0.000 0.425 97 Q N -0.643 119.243 119.800 0.143 0.000 2.119 97 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 97 Q C 1.794 177.872 176.000 0.130 0.000 0.972 97 Q CA 1.087 56.966 55.803 0.128 0.000 0.847 97 Q CB -0.133 28.695 28.738 0.149 0.000 0.903 97 Q HN 0.318 nan 8.270 nan 0.000 0.433 98 F N 1.276 121.230 119.950 0.006 0.000 2.113 98 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 98 F C 2.146 177.908 175.800 -0.063 0.000 1.103 98 F CA 1.175 59.085 58.000 -0.149 0.000 1.248 98 F CB -0.514 38.350 39.000 -0.226 0.000 0.999 98 F HN -0.010 nan 8.300 nan 0.000 0.475 99 A N 0.468 123.297 122.820 0.014 0.000 1.917 99 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 99 A C 2.525 180.079 177.584 -0.050 0.000 1.182 99 A CA 1.898 53.967 52.037 0.053 0.000 0.633 99 A CB -1.838 17.314 19.000 0.254 0.000 0.819 99 A HN 0.528 nan 8.150 nan 0.000 0.448 100 G N -0.928 107.852 108.800 -0.033 0.000 2.480 100 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 100 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 100 G C 1.828 176.645 174.900 -0.139 0.000 1.200 100 G CA 2.293 47.360 45.100 -0.054 0.000 0.782 100 G HN 0.685 nan 8.290 nan 0.000 0.554 101 T N -0.439 114.007 114.554 -0.180 0.000 2.746 101 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 101 T C 2.340 176.858 174.700 -0.304 0.000 1.039 101 T CA 1.976 63.953 62.100 -0.205 0.000 1.142 101 T CB -0.375 68.404 68.868 -0.148 0.000 0.866 101 T HN 0.002 nan 8.240 nan 0.000 0.444 102 V N 1.222 120.831 119.914 -0.508 0.000 2.515 102 V HA -0.004 4.116 4.120 -0.000 0.000 0.250 102 V C 2.901 178.770 176.094 -0.376 0.000 1.058 102 V CA 1.969 63.961 62.300 -0.514 0.000 1.064 102 V CB -0.767 30.501 31.823 -0.925 0.000 0.675 102 V HN 0.508 nan 8.190 nan 0.000 0.461 103 R N 0.034 120.322 120.500 -0.354 0.000 2.070 103 R HA -0.158 4.182 4.340 -0.000 0.000 0.233 103 R C 2.558 178.616 176.300 -0.403 0.000 1.137 103 R CA 2.042 57.835 56.100 -0.512 0.000 0.945 103 R CB -0.380 29.738 30.300 -0.305 0.000 0.845 103 R HN 0.492 nan 8.270 nan 0.000 0.430 104 S N 0.369 115.918 115.700 -0.251 0.000 2.359 104 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 104 S C 1.879 176.370 174.600 -0.181 0.000 1.039 104 S CA 1.672 59.760 58.200 -0.186 0.000 1.042 104 S CB -0.349 62.771 63.200 -0.133 0.000 0.915 104 S HN 0.342 nan 8.310 nan 0.000 0.439 105 R N -0.003 120.393 120.500 -0.173 0.000 2.091 105 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 105 R C 2.024 178.241 176.300 -0.138 0.000 1.136 105 R CA 1.589 57.609 56.100 -0.134 0.000 0.959 105 R CB -0.494 29.738 30.300 -0.115 0.000 0.856 105 R HN 0.427 nan 8.270 nan 0.000 0.437 106 F N 1.552 121.299 119.950 -0.337 0.000 2.134 106 F HA -0.162 4.365 4.527 0.000 0.000 0.299 106 F C 1.851 177.464 175.800 -0.312 0.000 1.097 106 F CA 1.696 59.476 58.000 -0.366 0.000 1.264 106 F CB -0.002 38.580 39.000 -0.697 0.000 1.001 106 F HN 0.084 nan 8.300 nan 0.000 0.479 107 E N 0.260 120.319 120.200 -0.235 0.000 2.058 107 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 107 E C 2.395 178.859 176.600 -0.227 0.000 0.997 107 E CA 1.119 57.391 56.400 -0.214 0.000 0.801 107 E CB -0.580 29.026 29.700 -0.157 0.000 0.746 107 E HN 0.490 nan 8.360 nan 0.000 0.450 108 A N 1.738 124.439 122.820 -0.198 0.000 1.908 108 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 108 A C 2.428 179.897 177.584 -0.193 0.000 1.181 108 A CA 1.890 53.829 52.037 -0.162 0.000 0.627 108 A CB -0.626 18.297 19.000 -0.128 0.000 0.818 108 A HN 0.300 nan 8.150 nan 0.000 0.445 109 A N -0.862 121.801 122.820 -0.262 0.000 1.897 109 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 109 A C 2.097 179.485 177.584 -0.328 0.000 1.181 109 A CA 1.575 53.446 52.037 -0.276 0.000 0.620 109 A CB -0.611 18.200 19.000 -0.315 0.000 0.821 109 A HN 0.516 nan 8.150 nan 0.000 0.443 110 L N -0.250 120.688 121.223 -0.475 0.000 2.012 110 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 110 L C 2.670 179.413 176.870 -0.212 0.000 1.073 110 L CA 2.174 56.780 54.840 -0.390 0.000 0.748 110 L CB -0.867 40.935 42.059 -0.427 0.000 0.891 110 L HN 0.571 nan 8.230 nan 0.000 0.431 111 C N -0.602 118.590 119.300 -0.182 0.000 2.425 111 C HA 0.003 4.463 4.460 -0.000 0.000 0.277 111 C C 2.389 177.316 174.990 -0.105 0.000 1.280 111 C CA 0.797 59.743 59.018 -0.120 0.000 1.744 111 C CB -1.561 26.116 27.740 -0.105 0.000 1.989 111 C HN 0.655 nan 8.230 nan 0.000 0.491 112 G N 0.346 109.075 108.800 -0.118 0.000 3.371 112 G HA2 0.316 4.276 3.960 -0.000 0.000 0.248 112 G HA3 0.316 4.276 3.960 -0.000 0.000 0.248 112 G C 0.385 175.226 174.900 -0.098 0.000 1.161 112 G CA 0.757 45.799 45.100 -0.096 0.000 0.796 112 G HN 0.682 nan 8.290 nan 0.000 0.539 113 S N -0.418 115.214 115.700 -0.112 0.000 2.687 113 S HA 0.767 5.237 4.470 -0.000 0.000 0.283 113 S C -0.218 174.327 174.600 -0.091 0.000 1.170 113 S CA -0.603 57.534 58.200 -0.106 0.000 1.008 113 S CB 2.054 65.180 63.200 -0.123 0.000 1.026 113 S HN 0.610 nan 8.310 nan 0.000 0.541 114 V N -1.117 118.741 119.914 -0.094 0.000 3.001 114 V HA 0.764 4.884 4.120 -0.000 0.000 0.314 114 V C 0.749 176.785 176.094 -0.097 0.000 1.099 114 V CA -0.247 61.995 62.300 -0.096 0.000 0.989 114 V CB 1.265 33.017 31.823 -0.119 0.000 1.040 114 V HN 1.098 nan 8.190 nan 0.000 0.434 115 S N 0.810 116.460 115.700 -0.083 0.000 2.497 115 S HA 0.643 5.113 4.470 -0.000 0.000 0.221 115 S C 0.811 175.367 174.600 -0.074 0.000 1.037 115 S CA 0.568 58.731 58.200 -0.061 0.000 0.920 115 S CB 0.369 63.550 63.200 -0.031 0.000 0.800 115 S HN 1.880 nan 8.310 nan 0.000 0.505 116 G N 0.028 108.764 108.800 -0.107 0.000 2.604 116 G HA2 0.473 4.433 3.960 -0.000 0.000 0.242 116 G HA3 0.473 4.433 3.960 -0.000 0.000 0.242 116 G C -0.481 174.279 174.900 -0.234 0.000 1.208 116 G CA -0.391 44.617 45.100 -0.153 0.000 0.912 116 G HN 0.141 nan 8.290 nan 0.000 0.502 117 F N 1.548 121.496 119.950 -0.003 0.000 2.387 117 F HA 0.521 5.048 4.527 -0.000 0.000 0.294 117 F C 2.014 177.809 175.800 -0.008 0.000 1.093 117 F CA 0.885 58.881 58.000 -0.007 0.000 1.420 117 F CB 0.156 39.151 39.000 -0.008 0.000 1.086 117 F HN 0.478 nan 8.300 nan 0.000 0.531 118 A N 0.589 123.511 122.820 0.170 0.000 2.296 118 A HA 0.455 4.775 4.320 -0.000 0.000 0.264 118 A C 0.169 177.780 177.584 0.046 0.000 1.097 118 A CA -0.455 51.637 52.037 0.091 0.000 0.811 118 A CB 0.215 19.257 19.000 0.071 0.000 1.072 118 A HN 0.230 nan 8.150 nan 0.000 0.495 119 R N -0.103 120.416 120.500 0.031 0.000 2.234 119 R HA 0.508 4.848 4.340 -0.000 0.000 0.324 119 R C -0.033 176.272 176.300 0.009 0.000 1.054 119 R CA 0.292 56.400 56.100 0.014 0.000 0.912 119 R CB 0.904 31.210 30.300 0.011 0.000 1.030 119 R HN 0.867 nan 8.270 nan 0.000 0.455 120 A N 5.025 127.845 122.820 0.001 0.000 2.281 120 A HA 0.656 4.976 4.320 -0.000 0.000 0.329 120 A C -2.177 175.405 177.584 -0.003 0.000 1.122 120 A CA -1.559 50.479 52.037 0.001 0.000 0.850 120 A CB 0.403 19.401 19.000 -0.003 0.000 1.207 120 A HN 0.570 nan 8.150 nan 0.000 0.495 121 P HA 0.296 nan 4.420 nan 0.000 0.272 121 P C 0.060 177.356 177.300 -0.007 0.000 1.230 121 P CA -0.288 62.811 63.100 -0.002 0.000 0.788 121 P CB 0.527 32.227 31.700 0.001 0.000 0.949 122 S N -0.180 115.515 115.700 -0.009 0.000 2.608 122 S HA 0.312 4.782 4.470 -0.000 0.000 0.261 122 S C -0.010 174.587 174.600 -0.006 0.000 1.314 122 S CA -0.766 57.425 58.200 -0.014 0.000 0.992 122 S CB 0.326 63.515 63.200 -0.017 0.000 0.935 122 S HN 0.212 nan 8.310 nan 0.000 0.564 123 V N 3.137 123.047 119.914 -0.008 0.000 2.384 123 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 123 V C -2.011 174.097 176.094 0.023 0.000 1.020 123 V CA -1.551 60.755 62.300 0.010 0.000 0.850 123 V CB 0.986 32.817 31.823 0.013 0.000 0.987 123 V HN 0.870 nan 8.190 nan 0.000 0.436 124 P HA 0.503 nan 4.420 nan 0.000 0.285 124 P C -1.063 176.279 177.300 0.069 0.000 1.259 124 P CA -0.386 62.737 63.100 0.038 0.000 0.794 124 P CB 1.979 33.696 31.700 0.028 0.000 0.940 125 L N 3.328 124.598 121.223 0.078 0.000 2.422 125 L HA 0.697 5.037 4.340 -0.000 0.000 0.264 125 L C -1.501 175.443 176.870 0.122 0.000 0.984 125 L CA -0.792 54.123 54.840 0.124 0.000 0.819 125 L CB 2.286 44.431 42.059 0.144 0.000 1.330 125 L HN 0.142 nan 8.230 nan 0.000 0.410 126 V N 2.941 122.960 119.914 0.174 0.000 2.888 126 V HA 0.691 4.811 4.120 -0.000 0.000 0.309 126 V C -0.648 175.614 176.094 0.279 0.000 1.114 126 V CA -0.257 62.157 62.300 0.191 0.000 0.940 126 V CB 2.636 34.570 31.823 0.186 0.000 1.021 126 V HN 0.901 nan 8.190 nan 0.000 0.426 127 S N 1.208 117.055 115.700 0.245 0.000 2.667 127 S HA 1.010 5.480 4.470 -0.000 0.000 0.292 127 S C -0.045 174.586 174.600 0.052 0.000 1.126 127 S CA -0.039 58.322 58.200 0.267 0.000 0.881 127 S CB 2.133 65.471 63.200 0.231 0.000 1.132 127 S HN 1.337 nan 8.310 nan 0.000 0.492 128 G N 1.027 109.652 108.800 -0.292 0.000 2.490 128 G HA2 0.329 4.289 3.960 -0.000 0.000 0.308 128 G HA3 0.329 4.289 3.960 -0.000 0.000 0.308 128 G C -1.765 172.670 174.900 -0.776 0.000 1.286 128 G CA -0.821 43.904 45.100 -0.624 0.000 0.825 128 G HN 0.644 nan 8.290 nan 0.000 0.479 129 N N 0.422 118.773 118.700 -0.582 0.000 3.250 129 N HA 0.225 4.965 4.740 -0.000 0.000 0.307 129 N C 0.364 175.837 175.510 -0.061 0.000 1.355 129 N CA -0.680 52.258 53.050 -0.187 0.000 1.192 129 N CB -0.391 38.033 38.487 -0.105 0.000 1.478 129 N HN 0.371 nan 8.380 nan 0.000 0.543 130 F N -0.356 119.669 119.950 0.126 0.000 2.456 130 F HA 0.187 4.714 4.527 0.000 0.000 0.298 130 F C 0.846 176.643 175.800 -0.005 0.000 1.104 130 F CA 0.037 58.074 58.000 0.061 0.000 1.435 130 F CB 0.307 39.328 39.000 0.034 0.000 1.078 130 F HN 0.076 nan 8.300 nan 0.000 0.546 131 L N 0.759 122.017 121.223 0.060 0.000 2.325 131 L HA 0.370 4.710 4.340 -0.000 0.000 0.281 131 L C 0.040 176.638 176.870 -0.454 0.000 1.004 131 L CA -0.625 54.153 54.840 -0.103 0.000 0.823 131 L CB 1.823 43.845 42.059 -0.062 0.000 1.236 131 L HN -0.157 nan 8.230 nan 0.000 0.415 132 T N 1.695 116.031 114.554 -0.363 0.000 2.771 132 T HA 0.780 5.130 4.350 -0.000 0.000 0.281 132 T C -0.255 174.282 174.700 -0.271 0.000 0.982 132 T CA -0.360 61.440 62.100 -0.500 0.000 0.978 132 T CB 1.408 70.025 68.868 -0.419 0.000 0.930 132 T HN 0.667 nan 8.240 nan 0.000 0.447 133 A N 4.301 126.999 122.820 -0.202 0.000 2.313 133 A HA 0.983 5.303 4.320 -0.000 0.000 0.323 133 A C -0.040 177.473 177.584 -0.118 0.000 1.133 133 A CA -1.209 50.772 52.037 -0.093 0.000 0.847 133 A CB 1.219 20.232 19.000 0.022 0.000 1.308 133 A HN 1.146 nan 8.150 nan 0.000 0.475 134 R N 0.290 120.628 120.500 -0.269 0.000 2.740 134 R HA 0.642 4.982 4.340 -0.000 0.000 0.273 134 R C -3.238 172.604 176.300 -0.762 0.000 0.998 134 R CA -1.716 54.118 56.100 -0.442 0.000 0.900 134 R CB 1.941 32.121 30.300 -0.201 0.000 1.223 134 R HN 0.424 nan 8.270 nan 0.000 0.466 135 P HA 0.081 nan 4.420 nan 0.000 0.271 135 P C 0.462 177.548 177.300 -0.356 0.000 1.216 135 P CA -0.134 62.474 63.100 -0.821 0.000 0.771 135 P CB 0.835 32.212 31.700 -0.538 0.000 0.864 136 I N 1.274 121.708 120.570 -0.227 0.000 2.394 136 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 136 I C 1.755 177.809 176.117 -0.104 0.000 1.136 136 I CA 1.995 63.218 61.300 -0.128 0.000 1.425 136 I CB -0.702 37.252 38.000 -0.075 0.000 1.079 136 I HN 0.711 nan 8.210 nan 0.000 0.425 137 G N 0.175 108.910 108.800 -0.107 0.000 2.754 137 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.241 137 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.241 137 G C -0.296 174.567 174.900 -0.062 0.000 1.281 137 G CA -0.229 44.822 45.100 -0.081 0.000 0.971 137 G HN 0.047 nan 8.290 nan 0.000 0.569 138 V N 1.203 121.087 119.914 -0.050 0.000 2.604 138 V HA 0.746 4.866 4.120 -0.000 0.000 0.305 138 V C -0.003 176.071 176.094 -0.033 0.000 1.043 138 V CA -0.465 61.810 62.300 -0.042 0.000 0.888 138 V CB 1.573 33.373 31.823 -0.037 0.000 0.995 138 V HN 0.654 nan 8.190 nan 0.000 0.429 139 I N 3.309 123.862 120.570 -0.029 0.000 2.499 139 I HA 0.440 4.610 4.170 -0.000 0.000 0.288 139 I C -0.185 175.922 176.117 -0.018 0.000 1.048 139 I CA -0.474 60.814 61.300 -0.020 0.000 1.062 139 I CB 1.954 39.945 38.000 -0.015 0.000 1.238 139 I HN 0.622 nan 8.210 nan 0.000 0.426 140 D N 5.196 125.588 120.400 -0.014 0.000 2.751 140 D HA -0.206 4.434 4.640 -0.000 0.000 0.233 140 D C 1.117 177.408 176.300 -0.016 0.000 1.149 140 D CA 1.640 55.633 54.000 -0.011 0.000 0.682 140 D CB -0.697 40.100 40.800 -0.006 0.000 1.068 140 D HN 1.174 nan 8.370 nan 0.000 0.429 141 G N -1.609 107.178 108.800 -0.020 0.000 2.253 141 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.251 141 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.251 141 G C 0.537 175.417 174.900 -0.033 0.000 0.998 141 G CA 0.625 45.710 45.100 -0.025 0.000 0.621 141 G HN 0.498 nan 8.290 nan 0.000 0.524 142 T N 1.607 116.140 114.554 -0.036 0.000 2.832 142 T HA 0.462 4.812 4.350 -0.000 0.000 0.296 142 T C -0.232 174.437 174.700 -0.051 0.000 0.968 142 T CA 0.146 62.216 62.100 -0.051 0.000 1.107 142 T CB 1.767 70.603 68.868 -0.054 0.000 0.916 142 T HN 0.289 nan 8.240 nan 0.000 0.517 143 D N 2.910 123.274 120.400 -0.060 0.000 2.343 143 D HA 0.081 4.721 4.640 -0.000 0.000 0.255 143 D C 0.885 177.147 176.300 -0.062 0.000 1.187 143 D CA -0.466 53.498 54.000 -0.060 0.000 0.875 143 D CB 0.681 41.444 40.800 -0.061 0.000 1.136 143 D HN 0.248 nan 8.370 nan 0.000 0.469 144 M N 2.300 121.866 119.600 -0.057 0.000 2.618 144 M HA 0.038 4.518 4.480 -0.000 0.000 0.240 144 M C 0.941 177.223 176.300 -0.031 0.000 1.123 144 M CA 0.341 55.613 55.300 -0.046 0.000 1.060 144 M CB -1.098 31.477 32.600 -0.041 0.000 1.535 144 M HN 0.539 nan 8.290 nan 0.000 0.507 145 E N -0.592 119.568 120.200 -0.066 0.000 3.289 145 E HA -0.338 4.012 4.350 -0.000 0.000 0.386 145 E C 0.405 176.923 176.600 -0.136 0.000 1.526 145 E CA 2.196 58.517 56.400 -0.133 0.000 1.519 145 E CB -1.301 28.384 29.700 -0.025 0.000 1.657 145 E HN 0.479 nan 8.360 nan 0.000 0.479 146 Y N 1.008 121.404 120.300 0.159 0.000 2.471 146 Y HA 0.371 4.922 4.550 0.000 0.000 0.286 146 Y C 0.974 177.100 175.900 0.377 0.000 1.188 146 Y CA 0.203 58.475 58.100 0.287 0.000 1.286 146 Y CB 0.360 38.845 38.460 0.041 0.000 1.072 146 Y HN 0.361 nan 8.280 nan 0.000 0.517 147 A N 0.775 123.756 122.820 0.268 0.000 2.511 147 A HA 0.523 4.843 4.320 -0.000 0.000 0.242 147 A C 0.852 178.511 177.584 0.126 0.000 1.069 147 A CA 0.708 52.849 52.037 0.172 0.000 0.763 147 A CB -0.272 18.760 19.000 0.052 0.000 1.001 147 A HN 0.396 nan 8.150 nan 0.000 0.498 148 G N -0.584 108.281 108.800 0.107 0.000 2.725 148 G HA2 0.601 4.561 3.960 -0.000 0.000 0.288 148 G HA3 0.601 4.561 3.960 -0.000 0.000 0.288 148 G C -1.489 173.386 174.900 -0.042 0.000 1.399 148 G CA -0.396 44.661 45.100 -0.071 0.000 0.859 148 G HN 1.149 nan 8.290 nan 0.000 0.479 149 V N 0.023 119.870 119.914 -0.112 0.000 3.007 149 V HA 0.468 4.588 4.120 -0.000 0.000 0.311 149 V C -0.319 175.733 176.094 -0.071 0.000 1.120 149 V CA -0.838 61.424 62.300 -0.064 0.000 0.980 149 V CB 2.138 33.923 31.823 -0.064 0.000 1.033 149 V HN 0.716 nan 8.190 nan 0.000 0.429 150 I N 4.130 124.671 120.570 -0.047 0.000 2.668 150 I HA 0.152 4.322 4.170 -0.000 0.000 0.285 150 I C 1.441 177.524 176.117 -0.056 0.000 1.168 150 I CA 0.626 61.894 61.300 -0.054 0.000 1.424 150 I CB 0.467 38.444 38.000 -0.039 0.000 1.377 150 I HN 0.638 nan 8.210 nan 0.000 0.560 151 R N 5.430 125.889 120.500 -0.068 0.000 2.123 151 R HA 0.221 4.561 4.340 -0.000 0.000 0.209 151 R C -0.043 176.249 176.300 -0.014 0.000 1.078 151 R CA 0.738 56.814 56.100 -0.039 0.000 1.028 151 R CB 0.475 30.752 30.300 -0.038 0.000 0.939 151 R HN 0.543 nan 8.270 nan 0.000 0.463 152 K N -0.248 120.133 120.400 -0.032 0.000 2.557 152 K HA 0.143 4.463 4.320 -0.000 0.000 0.257 152 K C -1.716 174.879 176.600 -0.009 0.000 0.933 152 K CA -0.405 55.882 56.287 0.000 0.000 0.820 152 K CB 2.433 34.952 32.500 0.031 0.000 1.330 152 K HN -0.079 nan 8.250 nan 0.000 0.432 153 T N 0.215 114.780 114.554 0.019 0.000 2.879 153 T HA 0.158 4.508 4.350 -0.000 0.000 0.290 153 T C -1.191 173.548 174.700 0.064 0.000 0.993 153 T CA -0.644 61.477 62.100 0.035 0.000 0.975 153 T CB 1.042 69.916 68.868 0.010 0.000 0.981 153 T HN 0.476 nan 8.240 nan 0.000 0.439 154 D N 3.783 124.257 120.400 0.124 0.000 2.608 154 D HA 0.188 4.828 4.640 -0.000 0.000 0.224 154 D C 1.337 177.691 176.300 0.091 0.000 1.123 154 D CA 0.050 54.139 54.000 0.148 0.000 1.030 154 D CB 0.231 41.183 40.800 0.253 0.000 1.093 154 D HN 0.633 nan 8.370 nan 0.000 0.497 155 T N 0.649 115.226 114.554 0.038 0.000 2.833 155 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 155 T C 1.746 176.449 174.700 0.005 0.000 1.054 155 T CA 1.400 63.497 62.100 -0.006 0.000 1.135 155 T CB 0.148 69.014 68.868 -0.003 0.000 0.869 155 T HN 0.470 nan 8.240 nan 0.000 0.466 156 A N 0.874 123.720 122.820 0.043 0.000 1.970 156 A HA 0.392 4.712 4.320 -0.000 0.000 0.216 156 A C 2.552 180.199 177.584 0.105 0.000 1.170 156 A CA 1.349 53.423 52.037 0.061 0.000 0.645 156 A CB -0.726 18.305 19.000 0.051 0.000 0.816 156 A HN 0.478 nan 8.150 nan 0.000 0.447 157 A N -0.103 122.793 122.820 0.127 0.000 1.929 157 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 157 A C 2.128 179.782 177.584 0.116 0.000 1.176 157 A CA 1.248 53.421 52.037 0.226 0.000 0.628 157 A CB -0.514 18.740 19.000 0.424 0.000 0.816 157 A HN 0.441 nan 8.150 nan 0.000 0.444 158 L N -0.822 120.306 121.223 -0.158 0.000 1.976 158 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 158 L C 2.863 179.655 176.870 -0.130 0.000 1.071 158 L CA 1.519 56.142 54.840 -0.362 0.000 0.746 158 L CB -0.536 41.278 42.059 -0.409 0.000 0.890 158 L HN 0.334 nan 8.230 nan 0.000 0.432 159 R N -0.700 119.770 120.500 -0.049 0.000 2.133 159 R HA -0.245 4.095 4.340 -0.000 0.000 0.247 159 R C 2.269 178.592 176.300 0.038 0.000 1.151 159 R CA 2.001 58.096 56.100 -0.008 0.000 0.971 159 R CB -0.757 29.553 30.300 0.017 0.000 0.866 159 R HN 0.278 nan 8.270 nan 0.000 0.447 160 F N 2.204 122.138 119.950 -0.027 0.000 2.113 160 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 160 F C 2.474 178.280 175.800 0.009 0.000 1.103 160 F CA 1.441 59.443 58.000 0.004 0.000 1.248 160 F CB -0.121 38.898 39.000 0.032 0.000 0.999 160 F HN -0.124 nan 8.300 nan 0.000 0.475 161 Q N 0.750 120.553 119.800 0.006 0.000 2.096 161 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 161 Q C 2.439 178.356 176.000 -0.138 0.000 0.982 161 Q CA 2.004 57.765 55.803 -0.070 0.000 0.850 161 Q CB -0.897 27.873 28.738 0.054 0.000 0.901 161 Q HN 0.505 nan 8.270 nan 0.000 0.422 162 L N 0.667 121.821 121.223 -0.115 0.000 2.109 162 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 162 L C 1.793 178.596 176.870 -0.112 0.000 1.086 162 L CA 0.927 55.707 54.840 -0.099 0.000 0.760 162 L CB -0.362 41.644 42.059 -0.089 0.000 0.910 162 L HN 0.077 nan 8.230 nan 0.000 0.437 163 D N 0.451 120.767 120.400 -0.141 0.000 2.218 163 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 163 D C 1.999 178.196 176.300 -0.172 0.000 0.976 163 D CA 1.311 55.230 54.000 -0.136 0.000 0.853 163 D CB 0.072 40.798 40.800 -0.124 0.000 0.939 163 D HN 0.313 nan 8.370 nan 0.000 0.481 164 A N -0.367 122.299 122.820 -0.257 0.000 2.238 164 A HA 0.414 4.734 4.320 -0.000 0.000 0.208 164 A C 1.770 179.281 177.584 -0.121 0.000 1.177 164 A CA 0.974 52.874 52.037 -0.229 0.000 0.804 164 A CB -0.172 18.615 19.000 -0.356 0.000 0.823 164 A HN 0.233 nan 8.150 nan 0.000 0.482 165 G N -0.612 108.134 108.800 -0.091 0.000 2.157 165 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 165 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 165 G C -0.066 174.820 174.900 -0.024 0.000 0.979 165 G CA 0.122 45.194 45.100 -0.046 0.000 0.650 165 G HN 0.647 nan 8.290 nan 0.000 0.529 166 N N 0.115 118.797 118.700 -0.030 0.000 2.514 166 N HA 0.522 5.262 4.740 -0.000 0.000 0.277 166 N C 0.544 176.073 175.510 0.033 0.000 1.126 166 N CA -0.508 52.550 53.050 0.013 0.000 0.978 166 N CB 1.016 39.520 38.487 0.028 0.000 1.106 166 N HN 0.302 nan 8.380 nan 0.000 0.461 167 I N 1.827 122.441 120.570 0.073 0.000 2.556 167 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 167 I C -0.087 176.110 176.117 0.133 0.000 1.114 167 I CA -0.345 61.017 61.300 0.103 0.000 1.418 167 I CB 0.497 38.596 38.000 0.164 0.000 1.394 167 I HN 0.144 nan 8.210 nan 0.000 0.552 168 V N 6.464 126.439 119.914 0.102 0.000 2.435 168 V HA 0.279 4.399 4.120 -0.000 0.000 0.290 168 V C -0.549 175.651 176.094 0.176 0.000 1.030 168 V CA -0.570 61.809 62.300 0.133 0.000 0.881 168 V CB 1.862 33.679 31.823 -0.009 0.000 0.983 168 V HN 0.679 nan 8.190 nan 0.000 0.445 169 W N 7.309 128.650 121.300 0.068 0.000 2.411 169 W HA 0.657 5.318 4.660 0.000 0.000 0.317 169 W C -1.414 175.153 176.519 0.080 0.000 1.030 169 W CA -0.898 56.458 57.345 0.019 0.000 1.239 169 W CB 1.738 31.198 29.460 0.001 0.000 1.304 169 W HN 0.479 nan 8.180 nan 0.000 0.437 170 M N 8.975 128.370 119.600 -0.342 0.000 2.311 170 M HA 0.329 4.809 4.480 -0.000 0.000 0.325 170 M C -2.192 173.894 176.300 -0.358 0.000 1.061 170 M CA -1.842 53.352 55.300 -0.176 0.000 0.957 170 M CB 2.403 34.953 32.600 -0.083 0.000 1.646 170 M HN 0.102 nan 8.290 nan 0.000 0.434 171 P HA 0.305 nan 4.420 nan 0.000 0.279 171 P C -2.651 174.495 177.300 -0.257 0.000 1.252 171 P CA -1.657 61.315 63.100 -0.213 0.000 0.811 171 P CB 0.014 31.794 31.700 0.133 0.000 1.035 172 P HA 0.250 nan 4.420 nan 0.000 0.225 172 P C -0.668 176.625 177.300 -0.012 0.000 1.768 172 P CA 0.415 63.422 63.100 -0.155 0.000 0.943 172 P CB -0.275 31.331 31.700 -0.158 0.000 1.936 173 L N 0.032 121.258 121.223 0.005 0.000 2.409 173 L HA 0.849 5.189 4.340 -0.000 0.000 0.262 173 L C 0.422 177.317 176.870 0.042 0.000 0.992 173 L CA -0.737 54.139 54.840 0.060 0.000 0.817 173 L CB 2.664 44.768 42.059 0.074 0.000 1.350 173 L HN 0.080 nan 8.230 nan 0.000 0.411 174 G N -0.969 107.870 108.800 0.064 0.000 2.690 174 G HA2 0.624 4.584 3.960 -0.000 0.000 0.293 174 G HA3 0.624 4.584 3.960 -0.000 0.000 0.293 174 G C -1.747 173.177 174.900 0.041 0.000 1.399 174 G CA -0.557 44.528 45.100 -0.026 0.000 0.890 174 G HN 0.737 nan 8.290 nan 0.000 0.485 175 H N -1.158 117.949 119.070 0.061 0.000 2.508 175 H HA 0.801 5.357 4.556 -0.000 0.000 0.344 175 H C 0.356 175.729 175.328 0.075 0.000 1.192 175 H CA -0.447 55.633 56.048 0.053 0.000 1.290 175 H CB 1.561 31.318 29.762 -0.007 0.000 1.571 175 H HN 0.558 nan 8.280 nan 0.000 0.555 176 S N 0.360 116.214 115.700 0.256 0.000 2.600 176 S HA 0.213 4.683 4.470 -0.000 0.000 0.300 176 S C 0.185 174.870 174.600 0.141 0.000 1.087 176 S CA -0.953 57.358 58.200 0.186 0.000 0.965 176 S CB 0.600 64.056 63.200 0.427 0.000 1.089 176 S HN 0.733 nan 8.310 nan 0.000 0.496 177 Y N 0.992 121.396 120.300 0.173 0.000 2.315 177 Y HA 0.006 4.556 4.550 0.000 0.000 0.288 177 Y C 2.510 178.475 175.900 0.110 0.000 1.154 177 Y CA 1.017 59.191 58.100 0.124 0.000 1.229 177 Y CB -0.351 38.160 38.460 0.086 0.000 0.980 177 Y HN 0.906 nan 8.280 nan 0.000 0.540 178 G N -0.983 107.982 108.800 0.275 0.000 2.848 178 G HA2 0.233 4.193 3.960 -0.000 0.000 0.208 178 G HA3 0.233 4.193 3.960 -0.000 0.000 0.208 178 G C 1.273 176.268 174.900 0.159 0.000 1.152 178 G CA 0.423 45.642 45.100 0.199 0.000 0.789 178 G HN 0.533 nan 8.290 nan 0.000 0.531 179 G N -0.546 108.347 108.800 0.155 0.000 2.142 179 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.225 179 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.225 179 G C 0.195 175.133 174.900 0.063 0.000 1.015 179 G CA 0.201 45.359 45.100 0.096 0.000 0.716 179 G HN 0.479 nan 8.290 nan 0.000 0.508 180 K N -0.261 120.178 120.400 0.066 0.000 2.400 180 K HA 0.710 5.030 4.320 -0.000 0.000 0.246 180 K C -0.244 176.257 176.600 -0.165 0.000 0.995 180 K CA -0.533 55.709 56.287 -0.075 0.000 0.840 180 K CB 1.621 34.037 32.500 -0.141 0.000 1.293 180 K HN 0.089 nan 8.250 nan 0.000 0.445 181 T N 1.276 115.645 114.554 -0.307 0.000 2.867 181 T HA 0.609 4.959 4.350 -0.000 0.000 0.282 181 T C -0.543 173.864 174.700 -0.488 0.000 1.000 181 T CA -0.344 61.617 62.100 -0.232 0.000 1.042 181 T CB 0.252 69.049 68.868 -0.119 0.000 0.973 181 T HN 0.226 nan 8.240 nan 0.000 0.465 182 F N 1.221 121.235 119.950 0.106 0.000 2.577 182 F HA 0.437 4.964 4.527 0.000 0.000 0.318 182 F C 0.492 176.346 175.800 0.091 0.000 1.065 182 F CA -1.210 56.863 58.000 0.123 0.000 0.929 182 F CB 1.649 40.702 39.000 0.088 0.000 1.237 182 F HN 0.392 nan 8.300 nan 0.000 0.468 183 N N 1.907 120.798 118.700 0.318 0.000 2.430 183 N HA 0.439 5.179 4.740 -0.000 0.000 0.265 183 N C -1.218 174.417 175.510 0.209 0.000 1.100 183 N CA -0.099 53.087 53.050 0.226 0.000 0.961 183 N CB 0.536 39.152 38.487 0.215 0.000 1.075 183 N HN 0.443 nan 8.380 nan 0.000 0.478 184 L N 1.173 122.485 121.223 0.150 0.000 2.375 184 L HA 0.374 4.714 4.340 -0.000 0.000 0.268 184 L C 0.134 177.066 176.870 0.102 0.000 1.058 184 L CA -1.012 53.889 54.840 0.102 0.000 0.803 184 L CB 0.944 43.024 42.059 0.035 0.000 1.212 184 L HN 0.509 nan 8.230 nan 0.000 0.451 185 D N 1.733 122.174 120.400 0.069 0.000 2.316 185 D HA 0.074 4.714 4.640 -0.000 0.000 0.245 185 D C 0.756 176.983 176.300 -0.121 0.000 1.171 185 D CA -0.322 53.649 54.000 -0.048 0.000 0.856 185 D CB 1.104 41.934 40.800 0.050 0.000 1.090 185 D HN 0.434 nan 8.370 nan 0.000 0.476 186 M N 4.414 123.882 119.600 -0.220 0.000 2.080 186 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 186 M C 1.080 177.358 176.300 -0.036 0.000 1.068 186 M CA 1.585 56.803 55.300 -0.136 0.000 1.109 186 M CB -0.350 32.158 32.600 -0.152 0.000 1.342 186 M HN 0.356 nan 8.290 nan 0.000 0.405 187 V N 0.926 120.802 119.914 -0.063 0.000 2.324 187 V HA -0.326 3.794 4.120 -0.000 0.000 0.250 187 V C 2.518 178.657 176.094 0.075 0.000 1.060 187 V CA 2.461 64.744 62.300 -0.028 0.000 1.042 187 V CB -1.012 30.672 31.823 -0.232 0.000 0.650 187 V HN 0.652 nan 8.190 nan 0.000 0.450 188 Q N -0.658 119.148 119.800 0.010 0.000 2.163 188 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 188 Q C 2.204 178.218 176.000 0.024 0.000 0.954 188 Q CA 1.282 57.100 55.803 0.026 0.000 0.851 188 Q CB -0.177 28.567 28.738 0.010 0.000 0.928 188 Q HN 0.613 nan 8.270 nan 0.000 0.459 189 A N 0.587 123.407 122.820 -0.000 0.000 1.968 189 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 189 A C 2.190 179.758 177.584 -0.025 0.000 1.169 189 A CA 1.306 53.331 52.037 -0.020 0.000 0.638 189 A CB -0.654 18.322 19.000 -0.041 0.000 0.812 189 A HN 0.514 nan 8.150 nan 0.000 0.446 190 A N -0.100 122.717 122.820 -0.006 0.000 1.930 190 A HA 0.226 4.546 4.320 -0.000 0.000 0.217 190 A C 2.437 179.999 177.584 -0.038 0.000 1.175 190 A CA 1.786 53.798 52.037 -0.042 0.000 0.627 190 A CB -0.806 18.172 19.000 -0.036 0.000 0.815 190 A HN 0.925 nan 8.150 nan 0.000 0.443 191 A N -0.578 122.267 122.820 0.041 0.000 1.898 191 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 191 A C 2.498 180.080 177.584 -0.003 0.000 1.181 191 A CA 2.093 54.151 52.037 0.036 0.000 0.620 191 A CB -0.910 18.148 19.000 0.096 0.000 0.819 191 A HN 0.645 nan 8.150 nan 0.000 0.442 192 S N -0.489 115.209 115.700 -0.003 0.000 2.355 192 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 192 S C 1.917 176.499 174.600 -0.030 0.000 1.031 192 S CA 1.682 59.873 58.200 -0.014 0.000 0.993 192 S CB -0.576 62.617 63.200 -0.013 0.000 0.859 192 S HN 0.268 nan 8.310 nan 0.000 0.453 193 V N 2.378 122.265 119.914 -0.044 0.000 2.332 193 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 193 V C 3.004 179.056 176.094 -0.070 0.000 1.055 193 V CA 1.831 64.095 62.300 -0.061 0.000 1.038 193 V CB -1.459 30.315 31.823 -0.081 0.000 0.651 193 V HN 0.655 nan 8.190 nan 0.000 0.450 194 A N -0.411 122.363 122.820 -0.076 0.000 1.902 194 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 194 A C 2.392 179.941 177.584 -0.058 0.000 1.181 194 A CA 2.083 54.070 52.037 -0.083 0.000 0.623 194 A CB -0.674 18.267 19.000 -0.099 0.000 0.818 194 A HN 0.341 nan 8.150 nan 0.000 0.443 195 V N -0.408 119.482 119.914 -0.039 0.000 2.343 195 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 195 V C 2.787 178.866 176.094 -0.025 0.000 1.051 195 V CA 2.254 64.539 62.300 -0.024 0.000 1.036 195 V CB -0.729 31.086 31.823 -0.013 0.000 0.654 195 V HN 0.563 nan 8.190 nan 0.000 0.451 196 S N 0.416 116.098 115.700 -0.030 0.000 2.370 196 S HA -0.087 4.383 4.470 -0.000 0.000 0.226 196 S C 1.602 176.182 174.600 -0.034 0.000 1.033 196 S CA 1.871 60.054 58.200 -0.028 0.000 1.011 196 S CB -0.259 62.922 63.200 -0.031 0.000 0.852 196 S HN 0.668 nan 8.310 nan 0.000 0.457 197 L N -0.831 120.362 121.223 -0.050 0.000 2.818 197 L HA 0.367 4.707 4.340 -0.000 0.000 0.243 197 L C -0.541 176.296 176.870 -0.055 0.000 1.185 197 L CA 0.011 54.818 54.840 -0.055 0.000 0.988 197 L CB -0.195 41.818 42.059 -0.075 0.000 1.292 197 L HN 0.051 nan 8.230 nan 0.000 0.519 198 Q N 0.753 120.527 119.800 -0.044 0.000 2.451 198 Q HA -0.179 4.161 4.340 -0.000 0.000 0.305 198 Q C 0.492 176.447 176.000 -0.074 0.000 1.345 198 Q CA 1.054 56.836 55.803 -0.036 0.000 0.854 198 Q CB -1.832 26.897 28.738 -0.016 0.000 1.162 198 Q HN 0.768 nan 8.270 nan 0.000 0.440 199 A N 0.215 122.981 122.820 -0.090 0.000 2.462 199 A HA 0.237 4.557 4.320 -0.000 0.000 0.243 199 A C 1.198 178.672 177.584 -0.183 0.000 1.076 199 A CA 0.147 52.105 52.037 -0.133 0.000 0.773 199 A CB 0.428 19.353 19.000 -0.125 0.000 1.010 199 A HN 0.284 nan 8.150 nan 0.000 0.493 200 E N 0.643 120.671 120.200 -0.287 0.000 2.204 200 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 200 E C 0.024 176.497 176.600 -0.211 0.000 0.989 200 E CA 1.419 57.551 56.400 -0.446 0.000 0.824 200 E CB 0.049 29.474 29.700 -0.459 0.000 0.756 200 E HN 0.612 nan 8.360 nan 0.000 0.477 201 K N -0.004 120.299 120.400 -0.163 0.000 2.501 201 K HA 0.407 4.727 4.320 -0.000 0.000 0.252 201 K C -1.639 174.869 176.600 -0.153 0.000 0.934 201 K CA -0.999 55.209 56.287 -0.132 0.000 0.797 201 K CB 2.384 34.802 32.500 -0.137 0.000 1.270 201 K HN -0.133 nan 8.250 nan 0.000 0.431 202 L N 2.742 123.865 121.223 -0.167 0.000 2.349 202 L HA 0.479 4.819 4.340 -0.000 0.000 0.278 202 L C -1.563 175.115 176.870 -0.320 0.000 0.996 202 L CA -0.611 54.068 54.840 -0.267 0.000 0.825 202 L CB 1.863 43.763 42.059 -0.265 0.000 1.243 202 L HN 0.370 nan 8.230 nan 0.000 0.412 203 V N 6.003 125.695 119.914 -0.371 0.000 2.409 203 V HA 0.411 4.531 4.120 -0.000 0.000 0.291 203 V C -1.037 174.843 176.094 -0.356 0.000 1.020 203 V CA -0.455 61.681 62.300 -0.275 0.000 0.848 203 V CB 1.385 33.113 31.823 -0.159 0.000 0.990 203 V HN 0.558 nan 8.190 nan 0.000 0.430 204 Y N 5.085 125.368 120.300 -0.030 0.000 2.353 204 Y HA 0.538 5.088 4.550 -0.000 0.000 0.340 204 Y C 0.182 176.072 175.900 -0.017 0.000 0.972 204 Y CA -0.729 57.355 58.100 -0.027 0.000 1.157 204 Y CB 1.210 39.658 38.460 -0.020 0.000 1.157 204 Y HN 0.424 nan 8.280 nan 0.000 0.495 205 L N 5.089 126.390 121.223 0.131 0.000 2.257 205 L HA 0.481 4.821 4.340 -0.000 0.000 0.290 205 L C 0.463 177.383 176.870 0.084 0.000 1.044 205 L CA -0.377 54.512 54.840 0.082 0.000 0.810 205 L CB 0.701 42.793 42.059 0.055 0.000 1.193 205 L HN 0.731 nan 8.230 nan 0.000 0.425 206 T N -0.306 114.288 114.554 0.067 0.000 2.724 206 T HA 0.475 4.825 4.350 -0.000 0.000 0.274 206 T C 0.217 174.933 174.700 0.027 0.000 0.984 206 T CA -0.740 61.388 62.100 0.046 0.000 1.024 206 T CB 1.292 70.185 68.868 0.041 0.000 1.320 206 T HN 0.221 nan 8.240 nan 0.000 0.555 207 L N 1.027 122.255 121.223 0.009 0.000 2.685 207 L HA 0.486 4.826 4.340 -0.000 0.000 0.233 207 L C 0.303 177.178 176.870 0.009 0.000 1.173 207 L CA 0.263 55.105 54.840 0.004 0.000 0.961 207 L CB -0.402 41.646 42.059 -0.018 0.000 1.217 207 L HN 0.630 nan 8.230 nan 0.000 0.478 208 S N -1.687 114.022 115.700 0.015 0.000 2.570 208 S HA 0.284 4.754 4.470 -0.000 0.000 0.286 208 S C 0.326 174.937 174.600 0.019 0.000 1.099 208 S CA -0.749 57.460 58.200 0.015 0.000 0.913 208 S CB 1.937 65.145 63.200 0.013 0.000 1.085 208 S HN 0.068 nan 8.310 nan 0.000 0.480 209 D N 1.164 121.574 120.400 0.015 0.000 2.351 209 D HA 0.201 4.841 4.640 -0.000 0.000 0.216 209 D C 1.088 177.398 176.300 0.017 0.000 0.968 209 D CA 1.450 55.459 54.000 0.015 0.000 0.899 209 D CB -0.028 40.778 40.800 0.011 0.000 0.907 209 D HN 0.765 nan 8.370 nan 0.000 0.514 210 G N -0.273 108.538 108.800 0.020 0.000 2.278 210 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.265 210 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.265 210 G C -1.254 173.657 174.900 0.019 0.000 1.329 210 G CA -0.881 44.233 45.100 0.024 0.000 1.017 210 G HN 0.077 nan 8.290 nan 0.000 0.472 211 I N 1.822 122.403 120.570 0.019 0.000 2.337 211 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 211 I C 0.751 176.876 176.117 0.012 0.000 1.046 211 I CA -0.012 61.297 61.300 0.016 0.000 1.324 211 I CB 1.449 39.462 38.000 0.021 0.000 1.409 211 I HN 0.349 nan 8.210 nan 0.000 0.494 212 S N 6.261 121.967 115.700 0.011 0.000 2.586 212 S HA 0.455 4.925 4.470 -0.000 0.000 0.274 212 S C 0.237 174.844 174.600 0.012 0.000 1.281 212 S CA -0.733 57.473 58.200 0.009 0.000 1.035 212 S CB 0.803 64.008 63.200 0.008 0.000 0.962 212 S HN 0.458 nan 8.310 nan 0.000 0.512 213 R N 2.373 122.879 120.500 0.010 0.000 2.560 213 R HA 0.204 4.544 4.340 -0.000 0.000 0.270 213 R C -1.619 174.689 176.300 0.013 0.000 1.074 213 R CA -1.832 54.276 56.100 0.014 0.000 1.140 213 R CB -0.067 30.239 30.300 0.011 0.000 1.073 213 R HN 0.410 nan 8.270 nan 0.000 0.527 214 P HA -0.154 nan 4.420 nan 0.000 0.229 214 P C -0.632 176.672 177.300 0.007 0.000 1.147 214 P CA 1.385 64.494 63.100 0.015 0.000 0.766 214 P CB 0.130 31.841 31.700 0.019 0.000 0.775 215 D N -2.880 117.524 120.400 0.006 0.000 2.469 215 D HA 0.301 4.941 4.640 -0.000 0.000 0.213 215 D C 1.474 177.775 176.300 0.002 0.000 1.135 215 D CA 0.508 54.509 54.000 0.003 0.000 0.834 215 D CB 0.219 41.021 40.800 0.002 0.000 1.009 215 D HN 0.128 nan 8.370 nan 0.000 0.507 216 G N 0.925 109.727 108.800 0.004 0.000 2.308 216 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.221 216 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.221 216 G C 0.747 175.649 174.900 0.003 0.000 1.032 216 G CA 0.069 45.171 45.100 0.003 0.000 0.623 216 G HN 0.509 nan 8.290 nan 0.000 0.506 217 T N 0.763 115.317 114.554 0.001 0.000 2.908 217 T HA 0.449 4.799 4.350 -0.000 0.000 0.301 217 T C 0.630 175.330 174.700 -0.000 0.000 1.019 217 T CA 0.198 62.297 62.100 -0.001 0.000 1.152 217 T CB 1.817 70.683 68.868 -0.003 0.000 0.966 217 T HN 1.447 nan 8.240 nan 0.000 0.540 218 L N 3.943 125.165 121.223 -0.002 0.000 2.559 218 L HA 0.430 4.770 4.340 -0.000 0.000 0.274 218 L C 1.322 178.188 176.870 -0.007 0.000 1.205 218 L CA 0.451 55.290 54.840 -0.002 0.000 0.907 218 L CB -0.809 41.248 42.059 -0.003 0.000 1.153 218 L HN 0.950 nan 8.230 nan 0.000 0.490 219 A N 3.930 126.747 122.820 -0.005 0.000 2.021 219 A HA -0.143 4.177 4.320 -0.000 0.000 0.206 219 A C 1.601 179.167 177.584 -0.030 0.000 1.210 219 A CA 2.079 54.110 52.037 -0.010 0.000 0.733 219 A CB -0.819 18.180 19.000 -0.001 0.000 0.839 219 A HN 1.089 nan 8.150 nan 0.000 0.495 220 E N -4.340 115.836 120.200 -0.040 0.000 3.484 220 E HA -0.125 4.225 4.350 -0.000 0.000 0.131 220 E C 0.040 176.555 176.600 -0.142 0.000 0.716 220 E CA 1.036 57.395 56.400 -0.068 0.000 3.008 220 E CB -1.176 28.485 29.700 -0.065 0.000 1.247 220 E HN 1.086 nan 8.360 nan 0.000 0.746 221 T N -0.217 114.210 114.554 -0.211 0.000 2.933 221 T HA 0.759 5.109 4.350 -0.000 0.000 0.305 221 T C -0.736 173.859 174.700 -0.175 0.000 1.092 221 T CA -0.790 61.035 62.100 -0.459 0.000 1.008 221 T CB 1.686 69.908 68.868 -1.077 0.000 1.102 221 T HN 0.157 nan 8.240 nan 0.000 0.469 222 L N 2.397 123.654 121.223 0.057 0.000 2.445 222 L HA 0.658 4.998 4.340 -0.000 0.000 0.262 222 L C 0.414 177.487 176.870 0.338 0.000 0.974 222 L CA -1.081 53.857 54.840 0.163 0.000 0.822 222 L CB 2.717 44.840 42.059 0.108 0.000 1.339 222 L HN 1.032 nan 8.230 nan 0.000 0.409 223 S N 0.920 116.768 115.700 0.247 0.000 2.632 223 S HA 0.482 4.952 4.470 -0.000 0.000 0.267 223 S C 1.078 175.743 174.600 0.108 0.000 1.276 223 S CA 0.006 58.312 58.200 0.177 0.000 0.998 223 S CB 1.722 65.000 63.200 0.129 0.000 0.953 223 S HN 0.737 nan 8.310 nan 0.000 0.547 224 A N 0.897 123.755 122.820 0.063 0.000 1.883 224 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 224 A C 2.329 179.937 177.584 0.039 0.000 1.186 224 A CA 2.052 54.116 52.037 0.044 0.000 0.624 224 A CB -1.479 17.534 19.000 0.021 0.000 0.822 224 A HN 1.024 nan 8.150 nan 0.000 0.444 225 Q N -0.105 119.716 119.800 0.036 0.000 2.077 225 Q HA -0.284 4.056 4.340 -0.000 0.000 0.206 225 Q C 1.807 177.829 176.000 0.037 0.000 0.989 225 Q CA 2.342 58.164 55.803 0.032 0.000 0.853 225 Q CB -0.298 28.458 28.738 0.031 0.000 0.907 225 Q HN 0.772 nan 8.270 nan 0.000 0.418 226 E N 0.225 120.457 120.200 0.052 0.000 2.106 226 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 226 E C 2.020 178.647 176.600 0.045 0.000 0.984 226 E CA 0.877 57.307 56.400 0.052 0.000 0.806 226 E CB -0.210 29.529 29.700 0.066 0.000 0.750 226 E HN 0.539 nan 8.360 nan 0.000 0.458 227 A N 1.494 124.344 122.820 0.050 0.000 1.883 227 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 227 A C 2.097 179.695 177.584 0.023 0.000 1.186 227 A CA 1.595 53.657 52.037 0.042 0.000 0.624 227 A CB -0.514 18.517 19.000 0.052 0.000 0.822 227 A HN 0.194 nan 8.150 nan 0.000 0.444 228 Q N -0.124 119.687 119.800 0.018 0.000 2.124 228 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 228 Q C 2.408 178.404 176.000 -0.007 0.000 0.977 228 Q CA 1.581 57.386 55.803 0.002 0.000 0.850 228 Q CB -0.271 28.467 28.738 0.000 0.000 0.901 228 Q HN 0.660 nan 8.270 nan 0.000 0.429 229 S N 1.388 117.091 115.700 0.005 0.000 2.353 229 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 229 S C 1.942 176.546 174.600 0.008 0.000 1.035 229 S CA 1.042 59.246 58.200 0.006 0.000 1.025 229 S CB -0.394 62.820 63.200 0.023 0.000 0.902 229 S HN 0.294 nan 8.310 nan 0.000 0.440 230 L N 0.928 122.162 121.223 0.019 0.000 2.129 230 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 230 L C 2.562 179.438 176.870 0.010 0.000 1.087 230 L CA 1.199 56.054 54.840 0.024 0.000 0.757 230 L CB -0.553 41.521 42.059 0.024 0.000 0.896 230 L HN 0.372 nan 8.230 nan 0.000 0.434 231 A N -1.094 121.719 122.820 -0.012 0.000 2.119 231 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 231 A C 2.040 179.581 177.584 -0.071 0.000 1.152 231 A CA 0.574 52.594 52.037 -0.028 0.000 0.708 231 A CB -0.222 18.762 19.000 -0.027 0.000 0.805 231 A HN 0.382 nan 8.150 nan 0.000 0.460 232 E N -0.447 119.676 120.200 -0.128 0.000 2.086 232 E HA -0.255 4.095 4.350 -0.000 0.000 0.205 232 E C 0.617 176.973 176.600 -0.407 0.000 1.027 232 E CA 1.858 58.059 56.400 -0.331 0.000 0.830 232 E CB -0.221 29.176 29.700 -0.506 0.000 0.751 232 E HN 0.911 nan 8.360 nan 0.000 0.456 233 H N -1.811 117.259 119.070 0.000 0.000 2.662 233 H HA 0.422 4.978 4.556 -0.000 0.000 0.268 233 H C -0.222 175.103 175.328 -0.004 0.000 1.152 233 H CA -0.164 55.883 56.048 -0.002 0.000 1.072 233 H CB 1.068 30.829 29.762 -0.001 0.000 1.660 233 H HN 0.069 nan 8.280 nan 0.000 0.584 234 A N 0.918 123.779 122.820 0.068 0.000 2.261 234 A HA 0.784 5.104 4.320 -0.000 0.000 0.323 234 A C 0.193 177.788 177.584 0.018 0.000 1.107 234 A CA -0.337 51.724 52.037 0.041 0.000 0.883 234 A CB 0.251 19.265 19.000 0.024 0.000 1.251 234 A HN 0.361 nan 8.150 nan 0.000 0.502 235 A N 0.409 123.234 122.820 0.008 0.000 2.540 235 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 235 A C 1.537 179.111 177.584 -0.016 0.000 1.061 235 A CA 0.444 52.478 52.037 -0.005 0.000 0.758 235 A CB -0.415 18.581 19.000 -0.006 0.000 0.991 235 A HN 1.897 nan 8.150 nan 0.000 0.502 236 S N 1.557 117.241 115.700 -0.027 0.000 2.407 236 S HA -0.282 4.188 4.470 -0.000 0.000 0.235 236 S C 1.562 176.140 174.600 -0.037 0.000 1.036 236 S CA 1.768 59.948 58.200 -0.034 0.000 1.013 236 S CB -0.429 62.740 63.200 -0.051 0.000 0.820 236 S HN 0.875 nan 8.310 nan 0.000 0.476 237 E N 1.028 121.206 120.200 -0.037 0.000 2.031 237 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 237 E C 2.225 178.799 176.600 -0.044 0.000 0.994 237 E CA 1.609 57.990 56.400 -0.032 0.000 0.800 237 E CB -0.451 29.245 29.700 -0.007 0.000 0.752 237 E HN 0.666 nan 8.360 nan 0.000 0.447 238 T N -0.610 113.925 114.554 -0.032 0.000 3.007 238 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 238 T C 1.781 176.458 174.700 -0.039 0.000 1.107 238 T CA 1.314 63.392 62.100 -0.036 0.000 1.118 238 T CB -0.161 68.698 68.868 -0.016 0.000 0.889 238 T HN 0.028 nan 8.240 nan 0.000 0.506 239 R N 0.519 120.998 120.500 -0.035 0.000 2.066 239 R HA 0.233 4.573 4.340 -0.000 0.000 0.224 239 R C 2.710 178.985 176.300 -0.041 0.000 1.122 239 R CA 1.016 57.097 56.100 -0.032 0.000 0.974 239 R CB -0.297 29.988 30.300 -0.025 0.000 0.871 239 R HN 0.321 nan 8.270 nan 0.000 0.435 240 R N 0.473 120.944 120.500 -0.048 0.000 2.094 240 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 240 R C 2.349 178.582 176.300 -0.112 0.000 1.137 240 R CA 1.949 58.013 56.100 -0.060 0.000 0.943 240 R CB -0.927 29.342 30.300 -0.051 0.000 0.850 240 R HN 0.264 nan 8.270 nan 0.000 0.433 241 L N 0.599 121.719 121.223 -0.171 0.000 2.021 241 L HA -0.267 4.073 4.340 -0.000 0.000 0.215 241 L C 2.555 179.350 176.870 -0.125 0.000 1.074 241 L CA 1.605 56.285 54.840 -0.266 0.000 0.760 241 L CB -0.447 41.462 42.059 -0.250 0.000 0.889 241 L HN 0.260 nan 8.230 nan 0.000 0.433 242 I N -1.380 119.154 120.570 -0.060 0.000 2.277 242 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 242 I C 2.827 178.943 176.117 -0.001 0.000 1.094 242 I CA 1.150 62.444 61.300 -0.011 0.000 1.393 242 I CB -0.288 37.708 38.000 -0.006 0.000 1.078 242 I HN 0.269 nan 8.210 nan 0.000 0.417 243 S N 0.386 116.077 115.700 -0.014 0.000 2.380 243 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 243 S C 2.188 176.792 174.600 0.007 0.000 1.043 243 S CA 2.400 60.597 58.200 -0.006 0.000 1.038 243 S CB -0.221 62.971 63.200 -0.012 0.000 0.872 243 S HN 0.376 nan 8.310 nan 0.000 0.456 244 S N 0.446 116.147 115.700 0.003 0.000 2.414 244 S HA 0.253 4.723 4.470 -0.000 0.000 0.227 244 S C 2.124 176.782 174.600 0.097 0.000 1.022 244 S CA 0.792 59.018 58.200 0.043 0.000 0.958 244 S CB -0.457 62.766 63.200 0.039 0.000 0.797 244 S HN 0.718 nan 8.310 nan 0.000 0.493 245 A N 0.754 123.640 122.820 0.110 0.000 1.929 245 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 245 A C 2.222 179.851 177.584 0.075 0.000 1.176 245 A CA 1.160 53.282 52.037 0.142 0.000 0.628 245 A CB -0.663 18.429 19.000 0.153 0.000 0.816 245 A HN 0.348 nan 8.150 nan 0.000 0.444 246 V N -0.199 119.745 119.914 0.050 0.000 2.379 246 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 246 V C 3.034 179.142 176.094 0.023 0.000 1.044 246 V CA 1.735 64.054 62.300 0.031 0.000 1.036 246 V CB -1.058 30.778 31.823 0.022 0.000 0.664 246 V HN 0.595 nan 8.190 nan 0.000 0.453 247 A N 0.117 122.952 122.820 0.025 0.000 1.902 247 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 247 A C 2.444 180.038 177.584 0.017 0.000 1.181 247 A CA 2.087 54.135 52.037 0.018 0.000 0.623 247 A CB -0.801 18.210 19.000 0.019 0.000 0.818 247 A HN 0.557 nan 8.150 nan 0.000 0.443 248 A N -0.148 122.689 122.820 0.028 0.000 1.883 248 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 248 A C 2.186 179.776 177.584 0.009 0.000 1.186 248 A CA 1.640 53.687 52.037 0.017 0.000 0.624 248 A CB -0.695 18.318 19.000 0.021 0.000 0.822 248 A HN 0.484 nan 8.150 nan 0.000 0.444 249 L N -1.249 119.982 121.223 0.012 0.000 2.046 249 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 249 L C 2.625 179.489 176.870 -0.010 0.000 1.077 249 L CA 1.770 56.609 54.840 -0.002 0.000 0.747 249 L CB -0.507 41.551 42.059 -0.003 0.000 0.896 249 L HN 0.396 nan 8.230 nan 0.000 0.432 250 E N 0.117 120.314 120.200 -0.004 0.000 2.110 250 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 250 E C 2.046 178.641 176.600 -0.008 0.000 0.988 250 E CA 1.232 57.628 56.400 -0.008 0.000 0.804 250 E CB -0.223 29.475 29.700 -0.003 0.000 0.745 250 E HN 0.423 nan 8.360 nan 0.000 0.458 251 G N -1.812 106.986 108.800 -0.003 0.000 2.848 251 G HA2 0.168 4.128 3.960 -0.000 0.000 0.208 251 G HA3 0.168 4.128 3.960 -0.000 0.000 0.208 251 G C 0.999 175.899 174.900 -0.000 0.000 1.152 251 G CA 0.450 45.549 45.100 -0.003 0.000 0.789 251 G HN 0.482 nan 8.290 nan 0.000 0.531 252 G N -1.333 107.468 108.800 0.002 0.000 2.231 252 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.206 252 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.206 252 G C 0.327 175.270 174.900 0.072 0.000 0.996 252 G CA -0.071 45.041 45.100 0.020 0.000 0.645 252 G HN 0.612 nan 8.290 nan 0.000 0.498 253 V N 2.386 122.328 119.914 0.047 0.000 2.617 253 V HA 0.177 4.297 4.120 -0.000 0.000 0.304 253 V C 1.891 178.057 176.094 0.120 0.000 1.040 253 V CA 0.821 63.156 62.300 0.060 0.000 1.149 253 V CB 0.807 32.629 31.823 -0.002 0.000 0.914 253 V HN 0.395 nan 8.190 nan 0.000 0.487 254 H N 3.273 122.299 119.070 -0.073 0.000 2.357 254 H HA 0.141 4.697 4.556 0.000 0.000 0.301 254 H C 0.843 176.112 175.328 -0.098 0.000 1.082 254 H CA 1.227 57.222 56.048 -0.087 0.000 1.342 254 H CB 0.098 29.810 29.762 -0.084 0.000 1.389 254 H HN 0.370 nan 8.280 nan 0.000 0.511 255 R N -0.112 120.421 120.500 0.055 0.000 2.626 255 R HA 0.380 4.720 4.340 -0.000 0.000 0.274 255 R C -1.470 174.829 176.300 -0.001 0.000 1.031 255 R CA -0.806 55.301 56.100 0.013 0.000 0.898 255 R CB 2.477 32.786 30.300 0.015 0.000 1.222 255 R HN 0.048 nan 8.270 nan 0.000 0.455 256 V N 2.670 122.599 119.914 0.025 0.000 2.444 256 V HA 0.513 4.633 4.120 -0.000 0.000 0.294 256 V C -0.958 175.165 176.094 0.049 0.000 1.022 256 V CA -0.421 61.887 62.300 0.013 0.000 0.850 256 V CB 1.849 33.696 31.823 0.040 0.000 0.992 256 V HN 0.679 nan 8.190 nan 0.000 0.426 257 Q N 6.280 126.082 119.800 0.005 0.000 2.312 257 Q HA 0.661 5.001 4.340 -0.000 0.000 0.263 257 Q C -1.108 174.926 176.000 0.056 0.000 0.995 257 Q CA -0.670 55.147 55.803 0.024 0.000 0.853 257 Q CB 2.499 31.224 28.738 -0.021 0.000 1.300 257 Q HN 0.734 nan 8.270 nan 0.000 0.448 258 I N 4.367 124.984 120.570 0.079 0.000 2.410 258 I HA 0.450 4.620 4.170 -0.000 0.000 0.286 258 I C -0.550 175.604 176.117 0.062 0.000 1.009 258 I CA -0.349 61.017 61.300 0.110 0.000 1.111 258 I CB 0.456 38.522 38.000 0.109 0.000 1.262 258 I HN 0.556 nan 8.210 nan 0.000 0.443 259 L N 4.150 125.408 121.223 0.059 0.000 2.194 259 L HA 0.603 4.943 4.340 -0.000 0.000 0.248 259 L C 0.014 176.908 176.870 0.040 0.000 1.071 259 L CA -1.014 53.848 54.840 0.037 0.000 0.901 259 L CB 1.321 43.394 42.059 0.023 0.000 1.497 259 L HN 0.345 nan 8.230 nan 0.000 0.442 260 N N 0.238 118.956 118.700 0.030 0.000 2.439 260 N HA 0.249 4.989 4.740 -0.000 0.000 0.249 260 N C 0.565 176.095 175.510 0.033 0.000 1.003 260 N CA -0.039 53.029 53.050 0.029 0.000 0.942 260 N CB 1.699 40.200 38.487 0.023 0.000 1.115 260 N HN 0.751 nan 8.380 nan 0.000 0.505 261 G N 2.035 110.859 108.800 0.040 0.000 2.572 261 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.216 261 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.216 261 G C 0.908 175.836 174.900 0.047 0.000 1.133 261 G CA 0.520 45.648 45.100 0.048 0.000 0.791 261 G HN 0.637 nan 8.290 nan 0.000 0.538 262 A N -0.208 122.635 122.820 0.038 0.000 2.307 262 A HA 0.732 5.052 4.320 -0.000 0.000 0.218 262 A C 1.190 178.791 177.584 0.028 0.000 1.228 262 A CA 0.631 52.688 52.037 0.034 0.000 0.857 262 A CB -0.063 18.954 19.000 0.028 0.000 0.897 262 A HN 0.561 nan 8.150 nan 0.000 0.495 263 A N 0.771 123.608 122.820 0.028 0.000 2.288 263 A HA 0.547 4.867 4.320 -0.000 0.000 0.320 263 A C -1.068 176.532 177.584 0.025 0.000 1.217 263 A CA -0.729 51.322 52.037 0.024 0.000 0.840 263 A CB 0.151 19.163 19.000 0.021 0.000 1.179 263 A HN 0.320 nan 8.150 nan 0.000 0.504 264 D N 1.766 122.180 120.400 0.022 0.000 2.487 264 D HA 0.370 5.010 4.640 -0.000 0.000 0.243 264 D C 1.376 177.690 176.300 0.024 0.000 1.154 264 D CA 1.695 55.709 54.000 0.022 0.000 0.876 264 D CB 0.361 41.172 40.800 0.018 0.000 1.161 264 D HN 1.068 nan 8.370 nan 0.000 0.478 265 G N 1.906 110.724 108.800 0.029 0.000 2.189 265 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.267 265 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.267 265 G C 1.564 176.486 174.900 0.038 0.000 0.975 265 G CA 0.745 45.866 45.100 0.034 0.000 0.644 265 G HN 0.476 nan 8.290 nan 0.000 0.537 266 S N -0.106 115.613 115.700 0.031 0.000 2.393 266 S HA -0.236 4.234 4.470 -0.000 0.000 0.235 266 S C 2.366 176.980 174.600 0.024 0.000 1.061 266 S CA 1.802 60.017 58.200 0.025 0.000 1.129 266 S CB -0.351 62.864 63.200 0.025 0.000 1.011 266 S HN 0.530 nan 8.310 nan 0.000 0.436 267 L N 0.163 121.406 121.223 0.033 0.000 2.129 267 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 267 L C 1.958 178.863 176.870 0.059 0.000 1.087 267 L CA 0.906 55.764 54.840 0.030 0.000 0.757 267 L CB -0.252 41.838 42.059 0.053 0.000 0.896 267 L HN 0.305 nan 8.230 nan 0.000 0.434 268 L N -1.403 119.886 121.223 0.111 0.000 2.307 268 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 268 L C 2.293 179.281 176.870 0.198 0.000 1.099 268 L CA 1.251 56.234 54.840 0.238 0.000 0.816 268 L CB -0.676 41.482 42.059 0.166 0.000 0.952 268 L HN 0.200 nan 8.230 nan 0.000 0.455 269 Q N -0.241 119.606 119.800 0.078 0.000 2.083 269 Q HA -0.206 4.134 4.340 -0.000 0.000 0.198 269 Q C 2.106 178.093 176.000 -0.021 0.000 0.969 269 Q CA 1.464 57.289 55.803 0.036 0.000 0.838 269 Q CB 0.130 28.878 28.738 0.017 0.000 0.900 269 Q HN 0.356 nan 8.270 nan 0.000 0.436 270 E N -0.059 120.110 120.200 -0.052 0.000 2.031 270 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 270 E C 1.646 178.092 176.600 -0.257 0.000 0.994 270 E CA 1.544 57.876 56.400 -0.113 0.000 0.800 270 E CB -0.270 29.376 29.700 -0.089 0.000 0.752 270 E HN 0.491 nan 8.360 nan 0.000 0.447 271 L N -0.996 120.011 121.223 -0.360 0.000 2.240 271 L HA 0.040 4.380 4.340 -0.000 0.000 0.211 271 L C 1.186 177.380 176.870 -1.127 0.000 1.106 271 L CA 0.463 54.842 54.840 -0.769 0.000 0.793 271 L CB -0.069 41.414 42.059 -0.960 0.000 0.927 271 L HN 0.116 nan 8.230 nan 0.000 0.446 272 F N -1.062 118.727 119.950 -0.268 0.000 2.682 272 F HA 0.133 4.660 4.527 -0.000 0.000 0.308 272 F C 1.226 176.982 175.800 -0.073 0.000 1.093 272 F CA -0.437 57.449 58.000 -0.190 0.000 1.244 272 F CB 0.090 39.069 39.000 -0.035 0.000 1.052 272 F HN -0.092 nan 8.300 nan 0.000 0.573 273 T N -3.122 111.405 114.554 -0.046 0.000 2.950 273 T HA 0.429 4.779 4.350 -0.000 0.000 0.288 273 T C 1.126 175.875 174.700 0.083 0.000 1.035 273 T CA -0.747 61.418 62.100 0.109 0.000 1.028 273 T CB 2.090 71.014 68.868 0.093 0.000 1.109 273 T HN 0.059 nan 8.240 nan 0.000 0.514 274 R N 0.741 121.411 120.500 0.284 0.000 2.090 274 R HA 0.000 4.340 4.340 -0.000 0.000 0.228 274 R C 2.096 178.518 176.300 0.204 0.000 1.110 274 R CA 1.738 58.032 56.100 0.323 0.000 0.973 274 R CB -0.345 30.186 30.300 0.384 0.000 0.869 274 R HN 0.728 nan 8.270 nan 0.000 0.440 275 N N -0.319 118.464 118.700 0.138 0.000 2.333 275 N HA 0.020 4.760 4.740 -0.000 0.000 0.178 275 N C 0.822 176.353 175.510 0.035 0.000 1.018 275 N CA 0.240 53.342 53.050 0.086 0.000 0.882 275 N CB 0.250 38.771 38.487 0.058 0.000 0.984 275 N HN 0.226 nan 8.380 nan 0.000 0.434 276 G N 0.927 109.732 108.800 0.009 0.000 2.697 276 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.240 276 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.240 276 G C -0.552 174.344 174.900 -0.007 0.000 1.346 276 G CA 0.099 45.185 45.100 -0.023 0.000 0.887 276 G HN 0.190 nan 8.290 nan 0.000 0.569 277 I N -1.205 119.358 120.570 -0.011 0.000 3.294 277 I HA 0.954 5.124 4.170 -0.000 0.000 0.311 277 I C 1.218 177.331 176.117 -0.006 0.000 1.111 277 I CA -0.252 61.046 61.300 -0.004 0.000 0.976 277 I CB 0.665 38.666 38.000 0.002 0.000 1.260 277 I HN 2.667 nan 8.210 nan 0.000 0.474 278 G N 0.503 109.303 108.800 -0.001 0.000 2.752 278 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.234 278 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.234 278 G C -0.406 174.493 174.900 -0.002 0.000 1.367 278 G CA -0.212 44.890 45.100 0.003 0.000 0.879 278 G HN 0.875 nan 8.290 nan 0.000 0.563 279 T N 0.488 115.049 114.554 0.011 0.000 2.779 279 T HA 0.614 4.964 4.350 -0.000 0.000 0.280 279 T C 0.125 174.846 174.700 0.034 0.000 0.987 279 T CA 0.529 62.636 62.100 0.012 0.000 0.966 279 T CB 1.455 70.339 68.868 0.027 0.000 0.933 279 T HN 1.002 nan 8.240 nan 0.000 0.442 280 S N 3.554 119.270 115.700 0.027 0.000 2.475 280 S HA 0.749 5.219 4.470 -0.000 0.000 0.298 280 S C -0.549 174.208 174.600 0.263 0.000 1.119 280 S CA -0.777 57.500 58.200 0.128 0.000 1.085 280 S CB 0.202 63.500 63.200 0.163 0.000 1.028 280 S HN 0.560 nan 8.310 nan 0.000 0.489 281 I N 3.141 123.877 120.570 0.278 0.000 2.545 281 I HA 0.707 4.877 4.170 -0.000 0.000 0.292 281 I C -0.143 176.077 176.117 0.171 0.000 1.040 281 I CA -0.929 60.539 61.300 0.280 0.000 1.068 281 I CB 1.902 39.996 38.000 0.156 0.000 1.251 281 I HN 0.714 nan 8.210 nan 0.000 0.424 282 A N 4.186 127.048 122.820 0.071 0.000 2.469 282 A HA 0.534 4.854 4.320 -0.000 0.000 0.299 282 A C 0.528 178.041 177.584 -0.118 0.000 1.098 282 A CA -0.615 51.305 52.037 -0.195 0.000 0.737 282 A CB 1.914 20.485 19.000 -0.716 0.000 1.312 282 A HN 0.722 nan 8.150 nan 0.000 0.414 283 K N 0.463 120.788 120.400 -0.125 0.000 2.059 283 K HA -0.116 4.204 4.320 -0.000 0.000 0.212 283 K C 0.418 176.970 176.600 -0.080 0.000 1.050 283 K CA 2.182 58.419 56.287 -0.085 0.000 0.927 283 K CB 0.061 32.504 32.500 -0.096 0.000 0.714 283 K HN 0.662 nan 8.250 nan 0.000 0.447 284 E N -1.077 119.044 120.200 -0.132 0.000 2.299 284 E HA 0.458 4.808 4.350 -0.000 0.000 0.260 284 E C -1.080 175.463 176.600 -0.095 0.000 0.944 284 E CA -0.542 55.803 56.400 -0.092 0.000 0.815 284 E CB 1.586 31.231 29.700 -0.093 0.000 1.252 284 E HN 0.240 nan 8.360 nan 0.000 0.418 285 A N 1.358 124.178 122.820 0.000 0.000 2.587 285 A HA 0.057 4.377 4.320 -0.000 0.000 0.235 285 A C -0.205 177.407 177.584 0.045 0.000 1.044 285 A CA 0.355 52.452 52.037 0.100 0.000 0.754 285 A CB -0.563 18.504 19.000 0.112 0.000 0.968 285 A HN 0.362 nan 8.150 nan 0.000 0.509 286 F N 1.050 120.995 119.950 -0.008 0.000 2.485 286 F HA 0.364 4.891 4.527 -0.000 0.000 0.327 286 F C 0.921 176.734 175.800 0.022 0.000 1.203 286 F CA 0.749 58.698 58.000 -0.086 0.000 1.295 286 F CB 0.296 39.193 39.000 -0.172 0.000 1.191 286 F HN 0.549 nan 8.300 nan 0.000 0.588 287 V N 0.766 120.790 119.914 0.184 0.000 3.418 287 V HA -0.058 4.062 4.120 -0.000 0.000 0.479 287 V C -0.437 175.682 176.094 0.040 0.000 0.682 287 V CA 0.075 62.458 62.300 0.139 0.000 2.011 287 V CB -1.860 30.089 31.823 0.210 0.000 2.457 287 V HN 1.116 nan 8.190 nan 0.000 0.501 288 S N 4.590 120.274 115.700 -0.027 0.000 2.618 288 S HA 0.941 5.411 4.470 -0.000 0.000 0.277 288 S C -0.956 173.593 174.600 -0.084 0.000 1.138 288 S CA -1.095 57.081 58.200 -0.040 0.000 0.844 288 S CB 2.964 66.132 63.200 -0.052 0.000 1.127 288 S HN 0.797 nan 8.310 nan 0.000 0.474 289 I N 1.763 122.271 120.570 -0.104 0.000 2.436 289 I HA 0.591 4.761 4.170 -0.000 0.000 0.289 289 I C -0.033 175.974 176.117 -0.183 0.000 1.010 289 I CA -0.780 60.386 61.300 -0.222 0.000 1.098 289 I CB 1.902 39.635 38.000 -0.445 0.000 1.266 289 I HN 0.838 nan 8.210 nan 0.000 0.434 290 R N 3.581 123.986 120.500 -0.158 0.000 2.888 290 R HA 0.631 4.971 4.340 -0.000 0.000 0.264 290 R C -1.018 175.234 176.300 -0.080 0.000 1.045 290 R CA -1.076 54.975 56.100 -0.081 0.000 0.962 290 R CB 1.185 31.451 30.300 -0.057 0.000 1.210 290 R HN 0.455 nan 8.270 nan 0.000 0.479 291 Q N 1.322 121.085 119.800 -0.062 0.000 2.314 291 Q HA 0.462 4.802 4.340 -0.000 0.000 0.258 291 Q C -0.838 175.013 176.000 -0.249 0.000 0.954 291 Q CA -0.156 55.585 55.803 -0.103 0.000 0.890 291 Q CB 1.508 30.189 28.738 -0.095 0.000 1.210 291 Q HN 0.723 nan 8.270 nan 0.000 0.410 292 A N 4.099 126.810 122.820 -0.182 0.000 2.386 292 A HA 0.434 4.754 4.320 -0.000 0.000 0.248 292 A C -0.873 176.451 177.584 -0.434 0.000 1.082 292 A CA -0.126 51.793 52.037 -0.196 0.000 0.789 292 A CB 0.140 19.123 19.000 -0.028 0.000 1.025 292 A HN 0.960 nan 8.150 nan 0.000 0.490 293 H N -0.593 118.473 119.070 -0.008 0.000 2.855 293 H HA 0.352 4.908 4.556 -0.000 0.000 0.363 293 H C 1.521 176.827 175.328 -0.036 0.000 1.185 293 H CA -0.010 56.027 56.048 -0.018 0.000 1.174 293 H CB 1.690 31.440 29.762 -0.019 0.000 1.857 293 H HN 0.747 nan 8.280 nan 0.000 0.565 294 S N 0.015 115.784 115.700 0.114 0.000 2.392 294 S HA -0.231 4.239 4.470 -0.000 0.000 0.232 294 S C 2.268 176.881 174.600 0.022 0.000 1.041 294 S CA 1.317 59.533 58.200 0.026 0.000 1.026 294 S CB -1.089 62.117 63.200 0.009 0.000 0.845 294 S HN 0.825 nan 8.310 nan 0.000 0.465 295 G N 2.040 110.869 108.800 0.049 0.000 2.475 295 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 295 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 295 G C 1.071 176.017 174.900 0.076 0.000 1.125 295 G CA 1.160 46.289 45.100 0.048 0.000 0.755 295 G HN 0.620 nan 8.290 nan 0.000 0.565 296 D N 0.233 120.670 120.400 0.063 0.000 2.323 296 D HA 0.044 4.684 4.640 -0.000 0.000 0.209 296 D C 2.464 178.778 176.300 0.023 0.000 0.973 296 D CA -0.117 53.927 54.000 0.073 0.000 0.874 296 D CB 0.091 40.893 40.800 0.004 0.000 0.930 296 D HN 0.373 nan 8.370 nan 0.000 0.521 297 I N 1.747 122.290 120.570 -0.045 0.000 2.113 297 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 297 I C -0.571 175.495 176.117 -0.084 0.000 1.057 297 I CA 1.593 62.831 61.300 -0.102 0.000 1.314 297 I CB -1.539 36.406 38.000 -0.093 0.000 1.022 297 I HN 0.028 nan 8.210 nan 0.000 0.408 298 P HA -0.163 nan 4.420 nan 0.000 0.218 298 P C 1.441 178.613 177.300 -0.212 0.000 1.148 298 P CA 1.594 64.601 63.100 -0.156 0.000 0.822 298 P CB -0.282 31.292 31.700 -0.209 0.000 0.784 299 H N -1.095 117.937 119.070 -0.063 0.000 2.395 299 H HA 0.046 4.602 4.556 -0.000 0.000 0.299 299 H C 2.111 177.405 175.328 -0.057 0.000 1.070 299 H CA 0.980 56.994 56.048 -0.056 0.000 1.356 299 H CB -0.447 29.278 29.762 -0.061 0.000 1.401 299 H HN 0.178 nan 8.280 nan 0.000 0.524 300 I N 0.728 121.308 120.570 0.017 0.000 2.252 300 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 300 I C 2.860 178.938 176.117 -0.064 0.000 1.102 300 I CA 0.780 62.050 61.300 -0.051 0.000 1.385 300 I CB -0.295 37.581 38.000 -0.208 0.000 1.064 300 I HN 0.132 nan 8.210 nan 0.000 0.414 301 A N 0.980 123.751 122.820 -0.081 0.000 1.892 301 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 301 A C 2.495 180.050 177.584 -0.048 0.000 1.188 301 A CA 2.190 54.188 52.037 -0.066 0.000 0.631 301 A CB -0.922 18.044 19.000 -0.056 0.000 0.822 301 A HN 0.447 nan 8.150 nan 0.000 0.447 302 A N -1.590 121.201 122.820 -0.048 0.000 2.067 302 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 302 A C 1.937 179.522 177.584 0.001 0.000 1.158 302 A CA 1.450 53.469 52.037 -0.030 0.000 0.661 302 A CB -0.350 18.621 19.000 -0.048 0.000 0.801 302 A HN 0.442 nan 8.150 nan 0.000 0.452 303 L N -1.380 119.850 121.223 0.012 0.000 2.418 303 L HA 0.194 4.534 4.340 -0.000 0.000 0.218 303 L C 1.818 178.696 176.870 0.013 0.000 1.125 303 L CA 1.070 55.929 54.840 0.033 0.000 0.835 303 L CB -0.197 41.895 42.059 0.054 0.000 0.953 303 L HN 0.332 nan 8.230 nan 0.000 0.454 304 I N -1.804 118.758 120.570 -0.014 0.000 3.081 304 I HA -0.027 4.143 4.170 -0.000 0.000 0.274 304 I C 2.372 178.471 176.117 -0.031 0.000 1.178 304 I CA 0.427 61.705 61.300 -0.037 0.000 1.460 304 I CB -0.126 37.813 38.000 -0.102 0.000 1.137 304 I HN 0.046 nan 8.210 nan 0.000 0.443 305 R N 1.030 121.516 120.500 -0.023 0.000 2.143 305 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 305 R C -1.042 175.256 176.300 -0.003 0.000 1.126 305 R CA 1.606 57.700 56.100 -0.011 0.000 0.927 305 R CB -2.072 28.224 30.300 -0.007 0.000 0.860 305 R HN 0.190 nan 8.270 nan 0.000 0.433 306 P HA -0.091 nan 4.420 nan 0.000 0.156 306 P C -0.859 176.441 177.300 -0.001 0.000 1.187 306 P CA 1.272 64.374 63.100 0.002 0.000 1.008 306 P CB -0.320 31.383 31.700 0.005 0.000 1.610 313 L N 0.052 121.308 121.223 0.056 0.000 2.641 313 L HA 0.506 4.846 4.340 -0.000 0.000 0.261 313 L C -0.678 176.296 176.870 0.174 0.000 0.926 313 L CA -0.490 54.402 54.840 0.087 0.000 0.917 313 L CB 1.205 43.265 42.059 0.001 0.000 1.361 313 L HN -0.061 nan 8.230 nan 0.000 0.417 314 L N 2.672 124.097 121.223 0.337 0.000 1.922 314 L HA 0.229 4.569 4.340 -0.000 0.000 0.224 314 L C 0.317 177.365 176.870 0.297 0.000 1.109 314 L CA 1.189 56.173 54.840 0.240 0.000 1.405 314 L CB -0.774 41.341 42.059 0.094 0.000 1.179 314 L HN 1.011 nan 8.230 nan 0.000 0.700 315 H N 0.338 119.444 119.070 0.061 0.000 2.740 315 H HA -0.128 4.428 4.556 0.000 0.000 0.327 315 H C 0.937 176.289 175.328 0.041 0.000 1.077 315 H CA 0.905 56.992 56.048 0.064 0.000 1.088 315 H CB -0.865 28.941 29.762 0.074 0.000 1.619 315 H HN 0.434 nan 8.280 nan 0.000 0.386 316 R N -0.239 120.316 120.500 0.092 0.000 3.255 316 R HA 0.227 4.567 4.340 -0.000 0.000 0.151 316 R C 0.152 176.475 176.300 0.039 0.000 1.600 316 R CA 0.579 56.717 56.100 0.062 0.000 1.255 316 R CB -0.182 30.145 30.300 0.045 0.000 1.317 316 R HN 0.265 nan 8.270 nan 0.000 0.467 317 S N 2.635 118.349 115.700 0.023 0.000 2.548 317 S HA 0.392 4.862 4.470 -0.000 0.000 0.277 317 S C -0.116 174.491 174.600 0.012 0.000 1.315 317 S CA -0.237 57.972 58.200 0.015 0.000 1.050 317 S CB 1.147 64.353 63.200 0.010 0.000 0.918 317 S HN 0.607 nan 8.310 nan 0.000 0.497 318 R N 0.688 121.195 120.500 0.012 0.000 3.297 318 R HA -0.254 4.086 4.340 -0.000 0.000 0.658 318 R C -0.712 175.597 176.300 0.015 0.000 0.241 318 R CA 1.270 57.377 56.100 0.011 0.000 2.017 318 R CB -1.239 29.067 30.300 0.009 0.000 0.788 318 R HN 0.706 nan 8.270 nan 0.000 0.649 319 E N -1.639 118.572 120.200 0.019 0.000 2.430 319 E HA 0.147 4.497 4.350 -0.000 0.000 0.279 319 E C -0.468 176.187 176.600 0.092 0.000 1.003 319 E CA -0.217 56.203 56.400 0.034 0.000 0.801 319 E CB 0.509 30.247 29.700 0.063 0.000 1.313 319 E HN 0.676 nan 8.360 nan 0.000 0.459 320 Y N 0.741 121.046 120.300 0.008 0.000 2.490 320 Y HA 0.212 4.762 4.550 -0.000 0.000 0.285 320 Y C 1.713 177.754 175.900 0.234 0.000 1.117 320 Y CA 0.728 58.925 58.100 0.163 0.000 1.262 320 Y CB 0.270 38.800 38.460 0.116 0.000 1.043 320 Y HN 0.525 nan 8.280 nan 0.000 0.553 321 L N 0.125 121.431 121.223 0.139 0.000 2.056 321 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 321 L C 2.236 179.043 176.870 -0.105 0.000 1.078 321 L CA 1.412 56.264 54.840 0.020 0.000 0.749 321 L CB -0.244 41.886 42.059 0.118 0.000 0.901 321 L HN 0.283 nan 8.230 nan 0.000 0.433 322 E N 0.177 120.339 120.200 -0.064 0.000 2.023 322 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 322 E C 1.687 178.200 176.600 -0.146 0.000 1.003 322 E CA 1.322 57.670 56.400 -0.087 0.000 0.809 322 E CB -0.355 29.311 29.700 -0.055 0.000 0.755 322 E HN 0.529 nan 8.360 nan 0.000 0.449 323 N N 0.047 118.615 118.700 -0.221 0.000 2.422 323 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 323 N C 0.518 175.652 175.510 -0.627 0.000 1.080 323 N CA 0.471 53.291 53.050 -0.384 0.000 0.893 323 N CB 0.101 38.337 38.487 -0.419 0.000 0.973 323 N HN 0.303 nan 8.380 nan 0.000 0.456 324 H N -0.783 118.133 119.070 -0.256 0.000 2.512 324 H HA 0.234 4.790 4.556 -0.000 0.000 0.276 324 H C 1.259 176.502 175.328 -0.141 0.000 1.126 324 H CA -0.377 55.499 56.048 -0.287 0.000 1.060 324 H CB 0.564 29.977 29.762 -0.582 0.000 1.646 324 H HN -0.063 nan 8.280 nan 0.000 0.571 325 I N 1.447 121.996 120.570 -0.035 0.000 2.236 325 I HA -0.324 3.846 4.170 -0.000 0.000 0.249 325 I C 2.309 178.494 176.117 0.115 0.000 1.102 325 I CA 1.758 63.071 61.300 0.022 0.000 1.365 325 I CB -0.312 37.650 38.000 -0.063 0.000 1.051 325 I HN 0.377 nan 8.210 nan 0.000 0.420 326 S N 0.442 116.179 115.700 0.062 0.000 2.442 326 S HA -0.213 4.257 4.470 -0.000 0.000 0.236 326 S C 1.612 176.259 174.600 0.079 0.000 1.007 326 S CA 1.096 59.324 58.200 0.047 0.000 0.965 326 S CB -0.878 62.344 63.200 0.038 0.000 0.773 326 S HN 0.801 nan 8.310 nan 0.000 0.504 327 E N -0.602 119.673 120.200 0.125 0.000 2.437 327 E HA 0.233 4.583 4.350 -0.000 0.000 0.189 327 E C -0.569 176.052 176.600 0.034 0.000 1.054 327 E CA -0.581 55.861 56.400 0.069 0.000 0.874 327 E CB -0.182 29.536 29.700 0.031 0.000 1.011 327 E HN 0.508 nan 8.360 nan 0.000 0.474 328 F N 1.414 121.375 119.950 0.019 0.000 2.397 328 F HA 0.347 4.874 4.527 0.000 0.000 0.331 328 F C 0.357 176.163 175.800 0.009 0.000 1.090 328 F CA -0.517 57.503 58.000 0.033 0.000 1.065 328 F CB 1.943 40.954 39.000 0.018 0.000 1.184 328 F HN -0.174 nan 8.300 nan 0.000 0.499 329 S N 3.903 119.718 115.700 0.191 0.000 2.503 329 S HA 0.670 5.140 4.470 -0.000 0.000 0.301 329 S C -0.774 173.865 174.600 0.064 0.000 1.087 329 S CA -0.719 57.530 58.200 0.081 0.000 1.042 329 S CB 1.372 64.591 63.200 0.032 0.000 1.043 329 S HN 0.471 nan 8.310 nan 0.000 0.489 330 I N 0.920 121.480 120.570 -0.016 0.000 2.530 330 I HA 0.627 4.797 4.170 -0.000 0.000 0.297 330 I C -1.185 174.879 176.117 -0.089 0.000 1.011 330 I CA -1.033 60.253 61.300 -0.025 0.000 1.107 330 I CB 1.466 39.451 38.000 -0.025 0.000 1.285 330 I HN 0.570 nan 8.210 nan 0.000 0.436 331 L N 5.910 127.088 121.223 -0.076 0.000 2.275 331 L HA 0.456 4.796 4.340 -0.000 0.000 0.288 331 L C -0.153 176.639 176.870 -0.130 0.000 1.046 331 L CA -0.010 54.758 54.840 -0.120 0.000 0.805 331 L CB 0.924 42.904 42.059 -0.131 0.000 1.193 331 L HN 0.797 nan 8.230 nan 0.000 0.426 332 E N 2.675 122.792 120.200 -0.140 0.000 2.212 332 E HA 0.339 4.689 4.350 -0.000 0.000 0.268 332 E C -1.412 175.150 176.600 -0.062 0.000 0.902 332 E CA -0.949 55.365 56.400 -0.143 0.000 0.779 332 E CB 1.935 31.534 29.700 -0.168 0.000 1.172 332 E HN 0.593 nan 8.360 nan 0.000 0.409 333 H N 1.539 120.544 119.070 -0.108 0.000 2.587 333 H HA 0.173 4.729 4.556 -0.000 0.000 0.325 333 H C -0.822 174.569 175.328 0.104 0.000 1.012 333 H CA -0.325 55.776 56.048 0.088 0.000 1.213 333 H CB 0.829 30.793 29.762 0.335 0.000 1.431 333 H HN 0.702 nan 8.280 nan 0.000 0.492 334 D N 3.931 124.208 120.400 -0.205 0.000 2.772 334 D HA -0.183 4.457 4.640 -0.000 0.000 0.233 334 D C 1.158 177.415 176.300 -0.071 0.000 1.143 334 D CA 2.247 56.182 54.000 -0.109 0.000 0.700 334 D CB -1.267 39.555 40.800 0.038 0.000 1.076 334 D HN 1.182 nan 8.370 nan 0.000 0.430 335 G N -0.986 107.741 108.800 -0.122 0.000 2.225 335 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 335 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 335 G C 0.165 174.944 174.900 -0.202 0.000 0.988 335 G CA 0.168 45.187 45.100 -0.135 0.000 0.625 335 G HN 0.521 nan 8.290 nan 0.000 0.527 336 N N 1.352 119.896 118.700 -0.259 0.000 2.422 336 N HA 0.395 5.135 4.740 -0.000 0.000 0.264 336 N C 0.510 175.652 175.510 -0.614 0.000 1.063 336 N CA -0.106 52.640 53.050 -0.507 0.000 0.959 336 N CB 0.997 39.033 38.487 -0.751 0.000 1.087 336 N HN 0.321 nan 8.380 nan 0.000 0.483 337 L N 3.139 124.076 121.223 -0.476 0.000 2.342 337 L HA 0.171 4.511 4.340 -0.000 0.000 0.285 337 L C 0.474 177.215 176.870 -0.215 0.000 1.095 337 L CA -0.112 54.540 54.840 -0.314 0.000 0.843 337 L CB -0.282 41.616 42.059 -0.269 0.000 1.201 337 L HN 0.584 nan 8.230 nan 0.000 0.445 338 Y N 1.818 122.104 120.300 -0.023 0.000 2.462 338 Y HA 0.298 4.848 4.550 -0.000 0.000 0.253 338 Y C 1.430 177.353 175.900 0.040 0.000 1.095 338 Y CA -0.337 57.784 58.100 0.034 0.000 1.283 338 Y CB 1.460 39.966 38.460 0.076 0.000 1.138 338 Y HN 0.686 nan 8.280 nan 0.000 0.522 339 G N -0.710 108.177 108.800 0.145 0.000 2.692 339 G HA2 0.512 4.472 3.960 -0.000 0.000 0.291 339 G HA3 0.512 4.472 3.960 -0.000 0.000 0.291 339 G C -1.757 173.188 174.900 0.075 0.000 1.423 339 G CA -0.437 44.727 45.100 0.106 0.000 0.843 339 G HN 0.156 nan 8.290 nan 0.000 0.486 340 C N -1.522 117.837 119.300 0.100 0.000 3.318 340 C HA 1.041 5.501 4.460 -0.000 0.000 0.322 340 C C -0.168 174.917 174.990 0.158 0.000 1.398 340 C CA -0.261 58.847 59.018 0.149 0.000 1.339 340 C CB 1.133 29.009 27.740 0.228 0.000 1.668 340 C HN 2.268 nan 8.230 nan 0.000 0.462 341 A N 0.423 123.344 122.820 0.167 0.000 2.604 341 A HA 1.000 5.320 4.320 -0.000 0.000 0.295 341 A C -0.801 176.729 177.584 -0.090 0.000 1.067 341 A CA 0.186 52.269 52.037 0.076 0.000 0.683 341 A CB 1.020 20.081 19.000 0.103 0.000 1.281 341 A HN 2.698 nan 8.150 nan 0.000 0.407 342 A N 0.357 123.008 122.820 -0.281 0.000 2.374 342 A HA 0.769 5.089 4.320 -0.000 0.000 0.317 342 A C -1.334 176.151 177.584 -0.164 0.000 1.094 342 A CA -0.506 51.252 52.037 -0.465 0.000 0.765 342 A CB 1.316 19.682 19.000 -1.057 0.000 1.268 342 A HN 1.855 nan 8.150 nan 0.000 0.438 343 L N 1.445 122.604 121.223 -0.107 0.000 2.280 343 L HA 0.536 4.876 4.340 -0.000 0.000 0.287 343 L C -0.250 176.572 176.870 -0.080 0.000 1.023 343 L CA -0.006 54.811 54.840 -0.038 0.000 0.819 343 L CB 0.722 42.783 42.059 0.003 0.000 1.212 343 L HN 0.666 nan 8.230 nan 0.000 0.420 344 K N 2.746 123.082 120.400 -0.107 0.000 2.130 344 K HA 0.693 5.013 4.320 -0.000 0.000 0.268 344 K C -0.139 176.153 176.600 -0.515 0.000 0.983 344 K CA -0.460 55.667 56.287 -0.265 0.000 0.893 344 K CB 1.466 33.807 32.500 -0.265 0.000 1.066 344 K HN 0.778 nan 8.250 nan 0.000 0.450 345 T N -1.400 112.720 114.554 -0.723 0.000 2.858 345 T HA 0.715 5.065 4.350 -0.000 0.000 0.285 345 T C -0.737 173.272 174.700 -1.151 0.000 1.052 345 T CA -0.775 60.866 62.100 -0.765 0.000 1.009 345 T CB 0.680 69.385 68.868 -0.271 0.000 1.241 345 T HN 0.271 nan 8.240 nan 0.000 0.542 346 F N -1.403 118.542 119.950 -0.009 0.000 2.643 346 F HA 0.736 5.263 4.527 0.000 0.000 0.314 346 F C 1.452 177.246 175.800 -0.010 0.000 1.096 346 F CA -1.075 56.913 58.000 -0.021 0.000 0.953 346 F CB 1.132 40.110 39.000 -0.036 0.000 1.345 346 F HN 0.784 nan 8.300 nan 0.000 0.468 347 A N -0.172 122.764 122.820 0.192 0.000 1.986 347 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 347 A C 0.583 178.228 177.584 0.102 0.000 1.171 347 A CA 1.332 53.434 52.037 0.107 0.000 0.640 347 A CB -0.907 18.141 19.000 0.080 0.000 0.811 347 A HN 0.736 nan 8.150 nan 0.000 0.451 348 E N -0.496 119.784 120.200 0.133 0.000 2.257 348 E HA 0.471 4.821 4.350 -0.000 0.000 0.278 348 E C 0.887 177.566 176.600 0.132 0.000 1.049 348 E CA 0.386 56.845 56.400 0.099 0.000 0.876 348 E CB 1.034 30.766 29.700 0.053 0.000 1.035 348 E HN 0.333 nan 8.360 nan 0.000 0.419 349 A N 3.973 126.846 122.820 0.088 0.000 2.066 349 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 349 A C 1.355 178.990 177.584 0.086 0.000 1.157 349 A CA 1.138 53.222 52.037 0.079 0.000 0.670 349 A CB -0.110 18.920 19.000 0.049 0.000 0.804 349 A HN 0.686 nan 8.150 nan 0.000 0.453 350 D N -1.298 119.153 120.400 0.086 0.000 2.340 350 D HA 0.057 4.697 4.640 -0.000 0.000 0.220 350 D C 0.282 176.659 176.300 0.128 0.000 1.039 350 D CA -0.013 54.036 54.000 0.082 0.000 0.866 350 D CB -0.699 40.134 40.800 0.056 0.000 0.913 350 D HN 0.262 nan 8.370 nan 0.000 0.523 351 C N 0.169 119.585 119.300 0.193 0.000 2.397 351 C HA 0.919 5.379 4.460 -0.000 0.000 0.343 351 C C 0.779 176.042 174.990 0.454 0.000 1.188 351 C CA -0.201 58.999 59.018 0.304 0.000 1.992 351 C CB 1.229 29.084 27.740 0.192 0.000 2.358 351 C HN 0.461 nan 8.230 nan 0.000 0.518 352 G N 0.800 109.905 108.800 0.507 0.000 2.660 352 G HA2 0.640 4.600 3.960 -0.000 0.000 0.290 352 G HA3 0.640 4.600 3.960 -0.000 0.000 0.290 352 G C -2.193 173.050 174.900 0.571 0.000 1.432 352 G CA -0.257 45.153 45.100 0.517 0.000 0.807 352 G HN 0.783 nan 8.290 nan 0.000 0.485 353 E N -0.001 120.454 120.200 0.425 0.000 2.256 353 E HA 0.512 4.862 4.350 -0.000 0.000 0.268 353 E C -1.214 175.493 176.600 0.178 0.000 0.877 353 E CA -0.861 55.742 56.400 0.337 0.000 0.757 353 E CB 2.369 32.287 29.700 0.363 0.000 1.183 353 E HN 0.530 nan 8.360 nan 0.000 0.418 354 I N 3.821 124.497 120.570 0.176 0.000 2.352 354 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 354 I C -0.944 175.208 176.117 0.057 0.000 1.036 354 I CA -0.003 61.375 61.300 0.130 0.000 1.336 354 I CB 0.477 38.616 38.000 0.232 0.000 1.407 354 I HN 0.633 nan 8.210 nan 0.000 0.497 355 A N 4.957 127.788 122.820 0.017 0.000 2.454 355 A HA 0.559 4.879 4.320 -0.000 0.000 0.302 355 A C 0.329 177.917 177.584 0.007 0.000 1.079 355 A CA -0.417 51.620 52.037 0.000 0.000 0.731 355 A CB 1.075 20.055 19.000 -0.033 0.000 1.299 355 A HN 1.004 nan 8.150 nan 0.000 0.413 356 C N -0.344 118.994 119.300 0.062 0.000 4.432 356 C HA -0.125 4.335 4.460 -0.000 0.000 0.294 356 C C 0.421 175.476 174.990 0.109 0.000 1.398 356 C CA 0.458 59.545 59.018 0.114 0.000 1.988 356 C CB -3.086 24.798 27.740 0.241 0.000 1.251 356 C HN 1.034 nan 8.230 nan 0.000 0.791 357 L N 1.312 122.590 121.223 0.092 0.000 2.418 357 L HA 0.576 4.916 4.340 -0.000 0.000 0.274 357 L C 0.283 177.149 176.870 -0.008 0.000 1.135 357 L CA 1.123 55.998 54.840 0.057 0.000 0.870 357 L CB 0.340 42.444 42.059 0.076 0.000 1.154 357 L HN 0.534 nan 8.230 nan 0.000 0.462 358 A N 4.816 127.634 122.820 -0.002 0.000 2.488 358 A HA 0.747 5.067 4.320 -0.000 0.000 0.295 358 A C -1.619 175.967 177.584 0.002 0.000 1.045 358 A CA -0.568 51.459 52.037 -0.017 0.000 0.703 358 A CB 1.590 20.606 19.000 0.026 0.000 1.271 358 A HN 0.445 nan 8.150 nan 0.000 0.400 359 V N 2.251 122.151 119.914 -0.023 0.000 2.531 359 V HA 0.564 4.684 4.120 -0.000 0.000 0.301 359 V C 0.671 176.784 176.094 0.032 0.000 1.034 359 V CA -0.328 61.996 62.300 0.039 0.000 0.865 359 V CB 1.820 33.666 31.823 0.038 0.000 0.995 359 V HN 1.227 nan 8.190 nan 0.000 0.424 360 S N 4.810 120.564 115.700 0.090 0.000 2.568 360 S HA 0.206 4.676 4.470 -0.000 0.000 0.282 360 S C -1.646 172.965 174.600 0.018 0.000 1.338 360 S CA -0.567 57.676 58.200 0.072 0.000 1.045 360 S CB 0.884 64.170 63.200 0.144 0.000 0.873 360 S HN 0.568 nan 8.310 nan 0.000 0.516 361 P HA -0.163 nan 4.420 nan 0.000 0.216 361 P C 1.641 178.916 177.300 -0.041 0.000 1.150 361 P CA 1.247 64.333 63.100 -0.023 0.000 0.843 361 P CB -0.065 31.629 31.700 -0.011 0.000 0.787 362 Q N -0.632 119.157 119.800 -0.019 0.000 2.217 362 Q HA -0.177 4.163 4.340 -0.000 0.000 0.209 362 Q C 1.554 177.456 176.000 -0.163 0.000 0.988 362 Q CA 1.967 57.746 55.803 -0.041 0.000 0.878 362 Q CB -0.824 27.940 28.738 0.043 0.000 0.909 362 Q HN 0.280 nan 8.270 nan 0.000 0.424 363 A N 0.072 122.752 122.820 -0.233 0.000 2.564 363 A HA 0.148 4.468 4.320 -0.000 0.000 0.279 363 A C 0.421 177.814 177.584 -0.319 0.000 1.232 363 A CA -0.353 51.434 52.037 -0.415 0.000 0.950 363 A CB 0.345 18.929 19.000 -0.693 0.000 1.138 363 A HN 0.213 nan 8.150 nan 0.000 0.526 364 Q N 0.298 119.977 119.800 -0.201 0.000 2.260 364 Q HA 0.361 4.701 4.340 -0.000 0.000 0.238 364 Q C -0.744 175.150 176.000 -0.176 0.000 0.948 364 Q CA -0.146 55.562 55.803 -0.159 0.000 0.895 364 Q CB 0.472 29.149 28.738 -0.100 0.000 1.218 364 Q HN 0.340 nan 8.270 nan 0.000 0.470 365 D N 1.220 121.538 120.400 -0.137 0.000 2.835 365 D HA -0.146 4.494 4.640 -0.000 0.000 0.230 365 D C -0.090 176.110 176.300 -0.167 0.000 1.130 365 D CA 1.250 55.190 54.000 -0.100 0.000 0.738 365 D CB -1.324 39.433 40.800 -0.072 0.000 1.090 365 D HN 0.710 nan 8.370 nan 0.000 0.433 366 G N -1.410 107.225 108.800 -0.275 0.000 4.008 366 G HA2 0.494 4.454 3.960 -0.000 0.000 0.278 366 G HA3 0.494 4.454 3.960 -0.000 0.000 0.278 366 G C 1.146 175.806 174.900 -0.400 0.000 1.021 366 G CA 0.532 45.382 45.100 -0.416 0.000 0.833 366 G HN 0.985 nan 8.290 nan 0.000 0.454 367 G N -0.076 108.615 108.800 -0.182 0.000 2.175 367 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.244 367 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.244 367 G C 1.040 176.039 174.900 0.164 0.000 0.982 367 G CA 0.593 45.695 45.100 0.002 0.000 0.641 367 G HN 0.479 nan 8.290 nan 0.000 0.527 368 Y N 0.531 120.860 120.300 0.050 0.000 2.200 368 Y HA 0.023 4.573 4.550 -0.000 0.000 0.290 368 Y C 3.075 179.024 175.900 0.082 0.000 1.137 368 Y CA 0.705 58.840 58.100 0.059 0.000 1.163 368 Y CB -0.250 38.228 38.460 0.031 0.000 0.988 368 Y HN 0.329 nan 8.280 nan 0.000 0.518 369 G N 0.520 109.454 108.800 0.224 0.000 2.459 369 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.217 369 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.217 369 G C 1.322 176.432 174.900 0.350 0.000 1.183 369 G CA 1.402 46.568 45.100 0.110 0.000 0.776 369 G HN 0.443 nan 8.290 nan 0.000 0.552 370 E N 0.398 120.886 120.200 0.480 0.000 2.110 370 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 370 E C 2.532 179.293 176.600 0.268 0.000 0.988 370 E CA 0.929 57.564 56.400 0.392 0.000 0.804 370 E CB -0.183 29.644 29.700 0.211 0.000 0.745 370 E HN 0.444 nan 8.360 nan 0.000 0.458 371 R N -0.113 120.535 120.500 0.246 0.000 2.096 371 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 371 R C 2.477 178.901 176.300 0.207 0.000 1.127 371 R CA 1.406 57.631 56.100 0.208 0.000 0.968 371 R CB -0.314 30.108 30.300 0.203 0.000 0.861 371 R HN 0.257 nan 8.270 nan 0.000 0.440 372 L N 0.255 121.599 121.223 0.201 0.000 2.056 372 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 372 L C 2.313 179.334 176.870 0.252 0.000 1.078 372 L CA 0.655 55.607 54.840 0.187 0.000 0.749 372 L CB -0.377 41.763 42.059 0.134 0.000 0.901 372 L HN 0.205 nan 8.230 nan 0.000 0.433 373 L N 0.175 121.572 121.223 0.291 0.000 2.017 373 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 373 L C 2.628 179.660 176.870 0.271 0.000 1.073 373 L CA 2.024 57.064 54.840 0.333 0.000 0.745 373 L CB -0.729 41.584 42.059 0.424 0.000 0.894 373 L HN 0.123 nan 8.230 nan 0.000 0.432 374 A N -1.141 121.816 122.820 0.228 0.000 1.908 374 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 374 A C 2.294 179.978 177.584 0.167 0.000 1.181 374 A CA 2.010 54.150 52.037 0.172 0.000 0.627 374 A CB -1.183 17.904 19.000 0.146 0.000 0.818 374 A HN 0.788 nan 8.150 nan 0.000 0.445 375 H N 0.363 119.499 119.070 0.110 0.000 2.326 375 H HA -0.092 4.464 4.556 0.000 0.000 0.301 375 H C 1.779 177.158 175.328 0.084 0.000 1.081 375 H CA 2.085 58.185 56.048 0.086 0.000 1.334 375 H CB -0.241 29.568 29.762 0.078 0.000 1.385 375 H HN 0.535 nan 8.280 nan 0.000 0.504 376 I N -0.048 120.642 120.570 0.199 0.000 2.546 376 I HA -0.053 4.117 4.170 -0.000 0.000 0.255 376 I C 2.319 178.483 176.117 0.077 0.000 1.163 376 I CA 1.311 62.688 61.300 0.128 0.000 1.457 376 I CB -0.804 37.306 38.000 0.183 0.000 1.092 376 I HN 0.481 nan 8.210 nan 0.000 0.434 377 I N 0.245 120.879 120.570 0.106 0.000 2.394 377 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 377 I C 1.658 177.781 176.117 0.009 0.000 1.136 377 I CA 1.703 63.046 61.300 0.072 0.000 1.425 377 I CB -0.688 37.360 38.000 0.081 0.000 1.079 377 I HN 0.021 nan 8.210 nan 0.000 0.425 378 D N 1.497 121.881 120.400 -0.028 0.000 2.117 378 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 378 D C 2.099 178.338 176.300 -0.102 0.000 0.982 378 D CA 1.526 55.482 54.000 -0.073 0.000 0.828 378 D CB -0.266 40.471 40.800 -0.106 0.000 0.967 378 D HN 0.491 nan 8.370 nan 0.000 0.464 379 K N 0.560 120.869 120.400 -0.152 0.000 2.063 379 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 379 K C 1.942 178.515 176.600 -0.044 0.000 1.048 379 K CA 1.449 57.668 56.287 -0.113 0.000 0.928 379 K CB -0.057 32.376 32.500 -0.112 0.000 0.713 379 K HN 0.057 nan 8.250 nan 0.000 0.442 380 A N 1.736 124.546 122.820 -0.016 0.000 1.897 380 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 380 A C 2.151 179.734 177.584 -0.002 0.000 1.181 380 A CA 1.475 53.519 52.037 0.010 0.000 0.620 380 A CB -0.599 18.427 19.000 0.043 0.000 0.821 380 A HN 0.482 nan 8.150 nan 0.000 0.443 381 R N -0.195 120.295 120.500 -0.017 0.000 2.081 381 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 381 R C 2.110 178.385 176.300 -0.041 0.000 1.131 381 R CA 1.705 57.784 56.100 -0.034 0.000 0.960 381 R CB -0.904 29.369 30.300 -0.046 0.000 0.856 381 R HN 0.373 nan 8.270 nan 0.000 0.436 382 G N 1.694 110.469 108.800 -0.041 0.000 2.501 382 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 382 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 382 G C 1.265 176.150 174.900 -0.026 0.000 1.114 382 G CA 1.058 46.136 45.100 -0.038 0.000 0.757 382 G HN 0.595 nan 8.290 nan 0.000 0.559 383 I N -3.200 117.359 120.570 -0.018 0.000 3.762 383 I HA 0.609 4.779 4.170 -0.000 0.000 0.333 383 I C 1.028 177.145 176.117 -0.001 0.000 1.566 383 I CA -0.128 61.167 61.300 -0.008 0.000 1.129 383 I CB 0.242 38.241 38.000 -0.002 0.000 1.218 383 I HN 0.227 nan 8.210 nan 0.000 0.456 384 G N 2.155 110.950 108.800 -0.009 0.000 2.525 384 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 384 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 384 G C 0.029 174.936 174.900 0.011 0.000 1.238 384 G CA -0.288 44.811 45.100 -0.003 0.000 0.926 384 G HN 0.776 nan 8.290 nan 0.000 0.574 385 I N -0.855 119.734 120.570 0.031 0.000 8.455 385 I HA -0.219 3.951 4.170 -0.000 0.000 0.126 385 I C 1.082 177.215 176.117 0.026 0.000 1.855 385 I CA 1.013 62.344 61.300 0.052 0.000 2.041 385 I CB -1.352 36.690 38.000 0.070 0.000 3.831 385 I HN 1.516 nan 8.210 nan 0.000 0.170 386 S N 4.305 120.020 115.700 0.024 0.000 2.589 386 S HA 0.304 4.774 4.470 -0.000 0.000 0.235 386 S C 0.428 175.005 174.600 -0.038 0.000 1.051 386 S CA -0.478 57.718 58.200 -0.006 0.000 0.978 386 S CB 0.685 63.884 63.200 -0.002 0.000 0.929 386 S HN 0.671 nan 8.310 nan 0.000 0.523 387 R N 0.966 121.457 120.500 -0.015 0.000 2.409 387 R HA 0.578 4.918 4.340 -0.000 0.000 0.313 387 R C -1.922 174.356 176.300 -0.037 0.000 0.953 387 R CA -0.570 55.469 56.100 -0.101 0.000 0.849 387 R CB 1.838 32.094 30.300 -0.073 0.000 1.171 387 R HN 0.162 nan 8.270 nan 0.000 0.458 388 L N 4.098 125.232 121.223 -0.149 0.000 2.305 388 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 388 L C -1.321 175.529 176.870 -0.034 0.000 1.013 388 L CA -0.223 54.635 54.840 0.028 0.000 0.819 388 L CB 0.780 42.873 42.059 0.055 0.000 1.227 388 L HN 0.407 nan 8.230 nan 0.000 0.417 389 F N 3.726 123.766 119.950 0.150 0.000 2.425 389 F HA 0.769 5.296 4.527 -0.000 0.000 0.331 389 F C 0.471 176.329 175.800 0.097 0.000 1.085 389 F CA -0.320 57.755 58.000 0.125 0.000 1.028 389 F CB 1.843 40.850 39.000 0.013 0.000 1.177 389 F HN 0.578 nan 8.300 nan 0.000 0.487 390 A N 3.471 126.372 122.820 0.134 0.000 2.359 390 A HA 0.805 5.125 4.320 -0.000 0.000 0.303 390 A C -1.714 175.774 177.584 -0.160 0.000 1.066 390 A CA -0.571 51.313 52.037 -0.255 0.000 0.730 390 A CB 0.760 19.083 19.000 -1.129 0.000 1.211 390 A HN 0.615 nan 8.150 nan 0.000 0.439 391 L N 1.787 122.953 121.223 -0.094 0.000 2.333 391 L HA 0.826 5.166 4.340 -0.000 0.000 0.280 391 L C 0.311 177.169 176.870 -0.021 0.000 1.004 391 L CA -0.105 54.723 54.840 -0.020 0.000 0.820 391 L CB 1.777 43.852 42.059 0.027 0.000 1.247 391 L HN 0.660 nan 8.230 nan 0.000 0.416 392 S N 0.265 115.978 115.700 0.021 0.000 2.535 392 S HA 0.345 4.815 4.470 -0.000 0.000 0.272 392 S C 0.270 174.919 174.600 0.083 0.000 1.149 392 S CA 0.010 58.239 58.200 0.048 0.000 0.888 392 S CB 1.790 65.026 63.200 0.059 0.000 1.110 392 S HN 0.697 nan 8.310 nan 0.000 0.463 393 T N 1.931 116.519 114.554 0.057 0.000 3.065 393 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 393 T C 0.908 175.650 174.700 0.070 0.000 1.099 393 T CA 1.326 63.438 62.100 0.019 0.000 1.063 393 T CB -0.704 68.161 68.868 -0.004 0.000 0.948 393 T HN 0.794 nan 8.240 nan 0.000 0.506 394 N N -1.921 116.849 118.700 0.117 0.000 2.113 394 N HA 0.013 4.753 4.740 -0.000 0.000 0.236 394 N C 0.711 176.315 175.510 0.156 0.000 1.263 394 N CA -0.048 53.078 53.050 0.128 0.000 0.831 394 N CB 0.196 38.728 38.487 0.077 0.000 1.259 394 N HN 0.038 nan 8.380 nan 0.000 0.469 395 T N 0.463 115.123 114.554 0.176 0.000 3.272 395 T HA 0.168 4.518 4.350 -0.000 0.000 0.250 395 T C 1.669 176.591 174.700 0.371 0.000 1.082 395 T CA 0.296 62.529 62.100 0.222 0.000 0.968 395 T CB 0.226 69.215 68.868 0.202 0.000 1.015 395 T HN 0.433 nan 8.240 nan 0.000 0.563 396 G N 1.629 110.608 108.800 0.299 0.000 2.418 396 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 396 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 396 G C 1.345 176.387 174.900 0.237 0.000 1.158 396 G CA 0.509 45.769 45.100 0.266 0.000 0.771 396 G HN 0.478 nan 8.290 nan 0.000 0.545 397 E N -0.713 119.594 120.200 0.179 0.000 2.110 397 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 397 E C 1.945 178.636 176.600 0.152 0.000 0.988 397 E CA 0.957 57.433 56.400 0.127 0.000 0.804 397 E CB -0.254 29.503 29.700 0.095 0.000 0.745 397 E HN 0.613 nan 8.360 nan 0.000 0.458 398 W N -0.254 121.034 121.300 -0.020 0.000 2.335 398 W HA -0.216 4.444 4.660 -0.000 0.000 0.311 398 W C 1.584 177.992 176.519 -0.185 0.000 1.213 398 W CA 1.767 59.026 57.345 -0.143 0.000 1.274 398 W CB -0.379 28.916 29.460 -0.275 0.000 1.148 398 W HN 0.079 nan 8.180 nan 0.000 0.498 399 F N -0.031 120.030 119.950 0.184 0.000 2.259 399 F HA -0.052 4.475 4.527 0.000 0.000 0.298 399 F C 2.466 178.285 175.800 0.030 0.000 1.088 399 F CA 1.402 59.355 58.000 -0.077 0.000 1.358 399 F CB -1.226 37.498 39.000 -0.459 0.000 1.040 399 F HN -0.059 nan 8.300 nan 0.000 0.505 400 A N -0.392 122.559 122.820 0.219 0.000 2.015 400 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 400 A C 1.909 179.531 177.584 0.063 0.000 1.163 400 A CA 1.421 53.548 52.037 0.150 0.000 0.646 400 A CB -0.600 18.452 19.000 0.085 0.000 0.806 400 A HN 0.392 nan 8.150 nan 0.000 0.448 401 E N -1.664 118.521 120.200 -0.025 0.000 2.489 401 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 401 E C 0.745 177.255 176.600 -0.149 0.000 1.057 401 E CA 0.060 56.397 56.400 -0.104 0.000 0.866 401 E CB 0.188 29.792 29.700 -0.160 0.000 0.916 401 E HN 0.344 nan 8.360 nan 0.000 0.500 402 R N -1.283 119.159 120.500 -0.096 0.000 2.698 402 R HA 0.188 4.528 4.340 -0.000 0.000 0.422 402 R C 0.210 176.584 176.300 0.122 0.000 1.073 402 R CA 0.589 56.623 56.100 -0.110 0.000 1.054 402 R CB 0.717 30.784 30.300 -0.390 0.000 1.373 402 R HN 0.144 nan 8.270 nan 0.000 0.593 403 G N -0.346 108.508 108.800 0.089 0.000 2.176 403 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 403 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 403 G C -0.073 174.833 174.900 0.010 0.000 0.979 403 G CA -0.062 45.055 45.100 0.028 0.000 0.641 403 G HN 0.280 nan 8.290 nan 0.000 0.530 404 F N 1.166 121.131 119.950 0.025 0.000 2.411 404 F HA 0.626 5.153 4.527 0.000 0.000 0.350 404 F C 0.811 176.607 175.800 -0.007 0.000 1.114 404 F CA -0.739 57.274 58.000 0.021 0.000 1.135 404 F CB 1.298 40.355 39.000 0.095 0.000 1.120 404 F HN 0.036 nan 8.300 nan 0.000 0.495 405 Q N 0.883 120.731 119.800 0.079 0.000 2.226 405 Q HA 0.315 4.655 4.340 -0.000 0.000 0.256 405 Q C 0.073 176.098 176.000 0.042 0.000 0.962 405 Q CA -0.855 54.971 55.803 0.037 0.000 0.887 405 Q CB 1.630 30.358 28.738 -0.018 0.000 1.282 405 Q HN 0.656 nan 8.270 nan 0.000 0.449 406 T N -0.399 114.174 114.554 0.032 0.000 2.930 406 T HA 0.554 4.904 4.350 -0.000 0.000 0.306 406 T C -0.474 174.240 174.700 0.024 0.000 1.045 406 T CA -0.152 61.969 62.100 0.035 0.000 1.134 406 T CB 0.391 69.274 68.868 0.026 0.000 0.961 406 T HN 0.600 nan 8.240 nan 0.000 0.545 407 A N 3.174 126.017 122.820 0.038 0.000 2.479 407 A HA 0.790 5.110 4.320 -0.000 0.000 0.296 407 A C 0.192 177.799 177.584 0.039 0.000 1.121 407 A CA -0.603 51.456 52.037 0.037 0.000 0.743 407 A CB 1.574 20.610 19.000 0.060 0.000 1.323 407 A HN 1.319 nan 8.150 nan 0.000 0.415 408 S N -0.596 115.121 115.700 0.029 0.000 2.651 408 S HA 0.371 4.841 4.470 -0.000 0.000 0.291 408 S C 0.820 175.393 174.600 -0.046 0.000 1.141 408 S CA 0.244 58.446 58.200 0.003 0.000 1.027 408 S CB 1.245 64.453 63.200 0.014 0.000 1.043 408 S HN 0.959 nan 8.310 nan 0.000 0.530 409 E N 0.458 120.596 120.200 -0.102 0.000 2.160 409 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 409 E C 0.315 176.843 176.600 -0.121 0.000 0.991 409 E CA 1.539 57.818 56.400 -0.203 0.000 0.810 409 E CB -0.533 29.096 29.700 -0.119 0.000 0.742 409 E HN 0.656 nan 8.360 nan 0.000 0.466 410 D N 0.937 121.306 120.400 -0.051 0.000 2.403 410 D HA -0.078 4.562 4.640 -0.000 0.000 0.227 410 D C 0.908 177.187 176.300 -0.036 0.000 0.995 410 D CA 0.661 54.639 54.000 -0.037 0.000 0.928 410 D CB 0.085 40.878 40.800 -0.012 0.000 0.887 410 D HN 0.498 nan 8.370 nan 0.000 0.529 411 E N -0.839 119.344 120.200 -0.028 0.000 2.413 411 E HA 0.123 4.473 4.350 -0.000 0.000 0.203 411 E C 0.625 177.190 176.600 -0.058 0.000 0.957 411 E CA -0.282 56.143 56.400 0.041 0.000 0.950 411 E CB 0.747 30.546 29.700 0.164 0.000 0.957 411 E HN 0.201 nan 8.360 nan 0.000 0.497 412 L N 3.196 124.248 121.223 -0.285 0.000 2.554 412 L HA 0.002 4.342 4.340 -0.000 0.000 0.293 412 L C -2.058 174.500 176.870 -0.520 0.000 1.252 412 L CA -1.233 53.219 54.840 -0.647 0.000 0.862 412 L CB -0.337 41.404 42.059 -0.531 0.000 1.113 412 L HN -0.157 nan 8.230 nan 0.000 0.510 413 P HA 0.032 nan 4.420 nan 0.000 0.269 413 P C 0.269 177.355 177.300 -0.358 0.000 1.209 413 P CA -0.215 62.557 63.100 -0.546 0.000 0.776 413 P CB 0.722 31.838 31.700 -0.973 0.000 0.876 414 E N 1.439 121.520 120.200 -0.198 0.000 2.063 414 E HA -0.295 4.055 4.350 -0.000 0.000 0.221 414 E C 1.818 178.360 176.600 -0.096 0.000 1.052 414 E CA 3.159 59.493 56.400 -0.111 0.000 0.891 414 E CB -0.962 28.705 29.700 -0.055 0.000 0.792 414 E HN 0.670 nan 8.360 nan 0.000 0.482 415 T N -1.187 113.335 114.554 -0.053 0.000 2.721 415 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 415 T C 1.966 176.647 174.700 -0.031 0.000 1.038 415 T CA 1.762 63.860 62.100 -0.005 0.000 1.145 415 T CB -0.349 68.567 68.868 0.081 0.000 0.858 415 T HN 0.005 nan 8.240 nan 0.000 0.459 416 R N 1.215 121.635 120.500 -0.134 0.000 2.073 416 R HA 0.204 4.544 4.340 -0.000 0.000 0.229 416 R C 2.690 178.918 176.300 -0.120 0.000 1.120 416 R CA 1.380 57.383 56.100 -0.160 0.000 0.967 416 R CB -0.694 29.359 30.300 -0.411 0.000 0.862 416 R HN 0.535 nan 8.270 nan 0.000 0.436 417 R N -0.111 120.298 120.500 -0.153 0.000 2.096 417 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 417 R C 1.720 178.041 176.300 0.036 0.000 1.127 417 R CA 1.645 57.708 56.100 -0.062 0.000 0.968 417 R CB -0.094 30.154 30.300 -0.088 0.000 0.861 417 R HN -0.046 nan 8.270 nan 0.000 0.440 418 K N 0.938 121.338 120.400 -0.001 0.000 2.002 418 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 418 K C 1.407 178.023 176.600 0.027 0.000 1.048 418 K CA 2.236 58.530 56.287 0.012 0.000 0.930 418 K CB -0.374 32.126 32.500 0.000 0.000 0.714 418 K HN 0.141 nan 8.250 nan 0.000 0.438 419 D N -0.889 119.528 120.400 0.028 0.000 2.092 419 D HA -0.203 4.437 4.640 -0.000 0.000 0.193 419 D C 1.631 177.966 176.300 0.058 0.000 0.994 419 D CA 1.311 55.330 54.000 0.032 0.000 0.828 419 D CB -0.533 40.283 40.800 0.027 0.000 0.963 419 D HN 0.325 nan 8.370 nan 0.000 0.450 420 Y N 1.915 122.182 120.300 -0.054 0.000 2.538 420 Y HA -0.185 4.365 4.550 -0.000 0.000 0.287 420 Y C 0.453 176.330 175.900 -0.039 0.000 1.157 420 Y CA 0.820 58.890 58.100 -0.049 0.000 1.338 420 Y CB 0.039 38.461 38.460 -0.063 0.000 0.970 420 Y HN -0.073 nan 8.280 nan 0.000 0.564 427 S N -0.803 114.944 115.700 0.078 0.000 3.331 427 S HA 0.434 4.904 4.470 -0.000 0.000 0.316 427 S C -0.805 173.833 174.600 0.063 0.000 1.104 427 S CA -0.424 57.753 58.200 -0.039 0.000 0.977 427 S CB 0.727 63.879 63.200 -0.079 0.000 1.370 427 S HN 0.411 nan 8.310 nan 0.000 0.731 428 H N 0.846 119.987 119.070 0.118 0.000 2.848 428 H HA 0.334 4.890 4.556 -0.000 0.000 0.317 428 H C -0.257 175.102 175.328 0.052 0.000 1.046 428 H CA -0.053 56.046 56.048 0.085 0.000 1.470 428 H CB 0.281 30.084 29.762 0.068 0.000 1.483 428 H HN 0.198 nan 8.280 nan 0.000 0.548 429 I N 5.356 126.021 120.570 0.158 0.000 2.307 429 I HA 0.291 4.461 4.170 -0.000 0.000 0.289 429 I C -1.511 174.669 176.117 0.105 0.000 1.021 429 I CA -0.139 61.201 61.300 0.068 0.000 1.224 429 I CB -0.001 37.928 38.000 -0.119 0.000 1.376 429 I HN 0.417 nan 8.210 nan 0.000 0.470 430 L N 7.377 128.667 121.223 0.110 0.000 2.354 430 L HA 0.857 5.197 4.340 -0.000 0.000 0.269 430 L C -0.737 176.211 176.870 0.130 0.000 1.005 430 L CA -0.972 53.942 54.840 0.124 0.000 0.819 430 L CB 2.001 44.144 42.059 0.140 0.000 1.311 430 L HN 0.393 nan 8.230 nan 0.000 0.423 431 V N 0.520 120.425 119.914 -0.015 0.000 3.040 431 V HA 0.683 4.803 4.120 -0.000 0.000 0.312 431 V C -0.732 175.122 176.094 -0.401 0.000 1.115 431 V CA -0.885 61.198 62.300 -0.362 0.000 0.998 431 V CB 2.205 33.583 31.823 -0.741 0.000 1.042 431 V HN 0.797 nan 8.190 nan 0.000 0.433 432 R N 1.214 121.310 120.500 -0.673 0.000 2.564 432 R HA 0.635 4.975 4.340 -0.000 0.000 0.284 432 R C -0.957 175.078 176.300 -0.442 0.000 1.031 432 R CA -0.816 54.867 56.100 -0.696 0.000 0.904 432 R CB 2.259 31.770 30.300 -1.315 0.000 1.199 432 R HN 0.881 nan 8.270 nan 0.000 0.443 433 R N 4.016 124.340 120.500 -0.294 0.000 2.410 433 R HA 0.430 4.770 4.340 -0.000 0.000 0.288 433 R C -0.893 175.323 176.300 -0.141 0.000 1.051 433 R CA -0.150 55.837 56.100 -0.188 0.000 1.021 433 R CB 0.706 30.925 30.300 -0.135 0.000 1.032 433 R HN 0.503 nan 8.270 nan 0.000 0.481 434 L N 2.145 123.318 121.223 -0.084 0.000 2.313 434 L HA 0.424 4.764 4.340 -0.000 0.000 0.268 434 L C -0.438 176.456 176.870 0.041 0.000 1.010 434 L CA -1.305 53.515 54.840 -0.033 0.000 0.814 434 L CB 1.469 43.507 42.059 -0.036 0.000 1.304 434 L HN 0.670 nan 8.230 nan 0.000 0.441 435 H N 2.202 121.243 119.070 -0.048 0.000 2.690 435 H HA 0.282 4.838 4.556 -0.000 0.000 0.289 435 H C -0.215 175.099 175.328 -0.024 0.000 1.089 435 H CA -0.844 55.183 56.048 -0.035 0.000 1.299 435 H CB 0.415 30.158 29.762 -0.032 0.000 1.405 435 H HN 0.482 nan 8.280 nan 0.000 0.463 436 R N 0.000 120.338 120.500 -0.269 0.000 2.786 436 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 436 R CA 0.000 55.923 56.100 -0.294 0.000 0.921 436 R CB 0.000 30.224 30.300 -0.126 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535