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 2i57_1_C DATA FIRST_RESID 3 DATA SEQUENCE EFRIAQDVVA RENDRRASAL KEDYEALGAN LARRGVDIEA VTAKVEKFFV DATA SEQUENCE AVPSWGVGTG GTRFARFPGT GEPRGIFDKL DDCAVIQQLT RATPNVSLHI DATA SEQUENCE PWDKADPKEL KARGDALGLG FDAMNSNTFS DAPGQAHSYK YGSLSHTNAA DATA SEQUENCE TRAQAVEHNL ECIEIGKAIG SKALTVWIGD GSNFPGQSNF TRAFERYLSA DATA SEQUENCE MAEIYKGLPD DWKLFSEHKM YEPAFYSTVV QDWGTNYLIA QTLGPKAQCL DATA SEQUENCE VDLGHHAPNT NIEMIVARLI QFGKLGGFHF NDSKYGDDDL DAGAIEPYRL DATA SEQUENCE FLVFNELVDA EARGVKGFHP AHMIDQSHNV TDPIESLINS ANEIRRAYAQ DATA SEQUENCE ALLVDRAALS GYQEDNDALM ATETLKRAYR TDVEPILAEA RRRTGGAVDP DATA SEQUENCE VATYRASGYR ARVAAERPAS VAGGGG 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.519 176.600 -0.135 0.000 1.382 3 E CA 0.000 56.423 56.400 0.038 0.000 0.976 3 E CB 0.000 29.701 29.700 0.001 0.000 0.812 4 F N 4.175 124.136 119.950 0.019 0.000 2.430 4 F HA 0.413 4.940 4.527 -0.000 0.000 0.362 4 F C 1.390 177.210 175.800 0.033 0.000 1.103 4 F CA -0.819 57.190 58.000 0.015 0.000 1.045 4 F CB 1.115 40.121 39.000 0.010 0.000 1.276 4 F HN 0.413 nan 8.300 nan 0.000 0.444 5 R N 1.447 122.021 120.500 0.124 0.000 2.117 5 R HA -0.065 4.275 4.340 -0.000 0.000 0.243 5 R C 0.363 176.759 176.300 0.159 0.000 1.143 5 R CA 1.142 57.324 56.100 0.138 0.000 0.968 5 R CB 0.022 30.332 30.300 0.016 0.000 0.863 5 R HN 0.311 nan 8.270 nan 0.000 0.444 6 I N 0.992 121.639 120.570 0.129 0.000 2.362 6 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 6 I C 0.180 176.378 176.117 0.135 0.000 0.994 6 I CA -1.538 59.830 61.300 0.114 0.000 1.158 6 I CB 1.083 39.121 38.000 0.064 0.000 1.315 6 I HN -0.065 nan 8.210 nan 0.000 0.451 7 A N 6.163 129.037 122.820 0.090 0.000 2.580 7 A HA -0.018 4.302 4.320 -0.000 0.000 0.244 7 A C 1.323 178.907 177.584 0.000 0.000 1.045 7 A CA 0.254 52.313 52.037 0.037 0.000 0.761 7 A CB 0.005 19.016 19.000 0.019 0.000 0.962 7 A HN 0.831 nan 8.150 nan 0.000 0.512 8 Q N 1.306 121.056 119.800 -0.083 0.000 2.135 8 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 8 Q C 1.406 177.365 176.000 -0.068 0.000 0.981 8 Q CA 2.011 57.744 55.803 -0.117 0.000 0.856 8 Q CB -0.182 28.386 28.738 -0.284 0.000 0.902 8 Q HN 1.059 nan 8.270 nan 0.000 0.425 9 D N -0.411 119.952 120.400 -0.061 0.000 2.144 9 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 9 D C 1.679 177.966 176.300 -0.022 0.000 0.984 9 D CA 1.044 55.020 54.000 -0.041 0.000 0.834 9 D CB -0.350 40.428 40.800 -0.037 0.000 0.955 9 D HN 0.038 nan 8.370 nan 0.000 0.465 10 V N 0.440 120.348 119.914 -0.011 0.000 2.358 10 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 10 V C 2.680 178.776 176.094 0.005 0.000 1.047 10 V CA 1.247 63.547 62.300 -0.000 0.000 1.035 10 V CB -0.344 31.485 31.823 0.009 0.000 0.658 10 V HN 0.207 nan 8.190 nan 0.000 0.452 11 V N 0.499 120.419 119.914 0.010 0.000 2.295 11 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 11 V C 2.727 178.824 176.094 0.005 0.000 1.049 11 V CA 2.100 64.409 62.300 0.016 0.000 1.024 11 V CB -1.211 30.630 31.823 0.030 0.000 0.648 11 V HN 0.550 nan 8.190 nan 0.000 0.447 12 A N -0.127 122.689 122.820 -0.007 0.000 1.877 12 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 12 A C 2.429 180.007 177.584 -0.010 0.000 1.186 12 A CA 2.015 54.045 52.037 -0.012 0.000 0.620 12 A CB -0.598 18.388 19.000 -0.024 0.000 0.822 12 A HN 0.456 nan 8.150 nan 0.000 0.443 13 R N -0.462 120.032 120.500 -0.010 0.000 2.080 13 R HA -0.170 4.170 4.340 -0.000 0.000 0.236 13 R C 1.793 178.091 176.300 -0.003 0.000 1.137 13 R CA 1.795 57.891 56.100 -0.008 0.000 0.943 13 R CB -0.229 30.067 30.300 -0.007 0.000 0.846 13 R HN 0.447 nan 8.270 nan 0.000 0.431 14 E N 0.111 120.312 120.200 0.001 0.000 2.274 14 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 14 E C 1.459 178.061 176.600 0.003 0.000 0.996 14 E CA 0.892 57.295 56.400 0.005 0.000 0.840 14 E CB -0.276 29.431 29.700 0.012 0.000 0.772 14 E HN 0.532 nan 8.360 nan 0.000 0.491 15 N N 0.568 119.268 118.700 0.000 0.000 2.250 15 N HA -0.089 4.651 4.740 -0.000 0.000 0.181 15 N C 1.209 176.715 175.510 -0.007 0.000 1.017 15 N CA 0.572 53.621 53.050 -0.003 0.000 0.866 15 N CB 0.182 38.666 38.487 -0.005 0.000 0.985 15 N HN 0.052 nan 8.380 nan 0.000 0.429 16 D N 0.921 121.316 120.400 -0.008 0.000 2.144 16 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 16 D C 1.786 178.082 176.300 -0.007 0.000 0.978 16 D CA 0.718 54.712 54.000 -0.009 0.000 0.833 16 D CB -0.102 40.692 40.800 -0.010 0.000 0.961 16 D HN 0.210 nan 8.370 nan 0.000 0.470 17 R N 0.770 121.267 120.500 -0.005 0.000 2.193 17 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 17 R C 1.464 177.763 176.300 -0.002 0.000 1.110 17 R CA 0.979 57.077 56.100 -0.003 0.000 0.988 17 R CB 0.216 30.515 30.300 -0.001 0.000 0.871 17 R HN 0.080 nan 8.270 nan 0.000 0.458 18 R N -1.486 119.012 120.500 -0.003 0.000 2.446 18 R HA 0.255 4.595 4.340 -0.000 0.000 0.254 18 R C 1.790 178.088 176.300 -0.004 0.000 0.918 18 R CA 0.407 56.505 56.100 -0.002 0.000 1.069 18 R CB 0.565 30.865 30.300 0.000 0.000 1.194 18 R HN 0.088 nan 8.270 nan 0.000 0.534 19 A N 1.121 123.937 122.820 -0.008 0.000 1.892 19 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 19 A C 2.150 179.729 177.584 -0.009 0.000 1.188 19 A CA 2.239 54.268 52.037 -0.013 0.000 0.631 19 A CB -0.684 18.306 19.000 -0.017 0.000 0.822 19 A HN 0.264 nan 8.150 nan 0.000 0.447 20 S N -0.666 115.031 115.700 -0.005 0.000 2.359 20 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 20 S C 2.214 176.817 174.600 0.005 0.000 1.035 20 S CA 1.810 60.009 58.200 -0.001 0.000 1.018 20 S CB -0.551 62.648 63.200 -0.001 0.000 0.876 20 S HN 0.896 nan 8.310 nan 0.000 0.448 21 A N 1.327 124.150 122.820 0.004 0.000 1.902 21 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 21 A C 2.159 179.754 177.584 0.017 0.000 1.181 21 A CA 1.728 53.770 52.037 0.008 0.000 0.623 21 A CB -0.944 18.058 19.000 0.004 0.000 0.818 21 A HN 0.575 nan 8.150 nan 0.000 0.443 22 L N 0.124 121.356 121.223 0.016 0.000 2.012 22 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 22 L C 2.279 179.183 176.870 0.057 0.000 1.073 22 L CA 2.764 57.622 54.840 0.030 0.000 0.748 22 L CB -0.671 41.390 42.059 0.004 0.000 0.891 22 L HN 0.473 nan 8.230 nan 0.000 0.431 23 K N -0.901 119.518 120.400 0.031 0.000 2.063 23 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 23 K C 1.979 178.626 176.600 0.078 0.000 1.048 23 K CA 1.625 57.941 56.287 0.048 0.000 0.928 23 K CB -0.072 32.438 32.500 0.017 0.000 0.713 23 K HN 0.373 nan 8.250 nan 0.000 0.442 24 E N 1.131 121.360 120.200 0.048 0.000 2.051 24 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 24 E C 1.823 178.448 176.600 0.041 0.000 0.991 24 E CA 1.244 57.666 56.400 0.037 0.000 0.799 24 E CB -0.287 29.424 29.700 0.018 0.000 0.748 24 E HN 0.424 nan 8.360 nan 0.000 0.449 25 D N -0.170 120.258 120.400 0.047 0.000 2.117 25 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 25 D C 1.953 178.285 176.300 0.053 0.000 0.982 25 D CA 0.763 54.784 54.000 0.035 0.000 0.828 25 D CB -0.431 40.388 40.800 0.032 0.000 0.967 25 D HN 0.197 nan 8.370 nan 0.000 0.464 26 Y N 2.006 122.292 120.300 -0.022 0.000 2.145 26 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 26 Y C 2.195 178.083 175.900 -0.021 0.000 1.145 26 Y CA 1.683 59.770 58.100 -0.022 0.000 1.148 26 Y CB 0.025 38.474 38.460 -0.017 0.000 0.981 26 Y HN -0.033 nan 8.280 nan 0.000 0.507 27 E N -0.325 119.952 120.200 0.128 0.000 2.110 27 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 27 E C 2.335 178.914 176.600 -0.035 0.000 0.988 27 E CA 0.870 57.297 56.400 0.046 0.000 0.804 27 E CB -0.303 29.438 29.700 0.068 0.000 0.745 27 E HN 0.570 nan 8.360 nan 0.000 0.458 28 A N 1.384 124.185 122.820 -0.032 0.000 1.873 28 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 28 A C 2.179 179.710 177.584 -0.087 0.000 1.186 28 A CA 1.028 53.037 52.037 -0.048 0.000 0.616 28 A CB -0.521 18.459 19.000 -0.035 0.000 0.823 28 A HN 0.223 nan 8.150 nan 0.000 0.442 29 L N 0.272 121.419 121.223 -0.126 0.000 2.046 29 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 29 L C 2.382 179.129 176.870 -0.204 0.000 1.077 29 L CA 2.401 57.140 54.840 -0.168 0.000 0.747 29 L CB -1.237 40.696 42.059 -0.209 0.000 0.896 29 L HN 0.297 nan 8.230 nan 0.000 0.432 30 G N -0.902 107.731 108.800 -0.279 0.000 2.469 30 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 30 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 30 G C 1.589 176.410 174.900 -0.131 0.000 1.150 30 G CA 0.989 45.941 45.100 -0.248 0.000 0.763 30 G HN 0.668 nan 8.290 nan 0.000 0.561 31 A N 0.963 123.725 122.820 -0.096 0.000 1.898 31 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 31 A C 2.219 179.766 177.584 -0.063 0.000 1.181 31 A CA 1.851 53.851 52.037 -0.062 0.000 0.620 31 A CB -0.571 18.402 19.000 -0.045 0.000 0.819 31 A HN 0.465 nan 8.150 nan 0.000 0.442 32 N N 0.435 119.091 118.700 -0.074 0.000 2.084 32 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 32 N C 1.778 177.248 175.510 -0.067 0.000 1.030 32 N CA 1.635 54.645 53.050 -0.067 0.000 0.849 32 N CB -0.269 38.173 38.487 -0.074 0.000 1.012 32 N HN 0.495 nan 8.380 nan 0.000 0.423 33 L N 0.860 122.031 121.223 -0.086 0.000 2.083 33 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 33 L C 2.769 179.603 176.870 -0.060 0.000 1.083 33 L CA 1.186 55.978 54.840 -0.079 0.000 0.752 33 L CB -0.575 41.422 42.059 -0.103 0.000 0.899 33 L HN 0.198 nan 8.230 nan 0.000 0.433 34 A N 0.241 123.025 122.820 -0.059 0.000 1.908 34 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 34 A C 2.350 179.914 177.584 -0.033 0.000 1.181 34 A CA 1.537 53.549 52.037 -0.042 0.000 0.627 34 A CB -0.509 18.468 19.000 -0.039 0.000 0.818 34 A HN 0.334 nan 8.150 nan 0.000 0.445 35 R N -0.936 119.543 120.500 -0.035 0.000 2.193 35 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 35 R C 1.495 177.780 176.300 -0.024 0.000 1.110 35 R CA 1.136 57.219 56.100 -0.027 0.000 0.988 35 R CB -0.150 30.133 30.300 -0.028 0.000 0.871 35 R HN 0.435 nan 8.270 nan 0.000 0.458 36 R N -0.435 120.047 120.500 -0.029 0.000 2.388 36 R HA 0.110 4.450 4.340 -0.000 0.000 0.247 36 R C 0.624 176.911 176.300 -0.021 0.000 0.931 36 R CA 0.410 56.496 56.100 -0.023 0.000 1.082 36 R CB 0.810 31.093 30.300 -0.029 0.000 1.135 36 R HN 0.271 nan 8.270 nan 0.000 0.525 37 G N 0.799 109.586 108.800 -0.022 0.000 2.198 37 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 37 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 37 G C -0.100 174.786 174.900 -0.023 0.000 1.025 37 G CA 0.225 45.313 45.100 -0.020 0.000 0.769 37 G HN 0.170 nan 8.290 nan 0.000 0.507 38 V N 0.076 119.971 119.914 -0.031 0.000 2.540 38 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 38 V C -0.268 175.801 176.094 -0.041 0.000 1.035 38 V CA -0.662 61.616 62.300 -0.036 0.000 0.873 38 V CB 2.045 33.841 31.823 -0.045 0.000 0.992 38 V HN 0.336 nan 8.190 nan 0.000 0.428 39 D N 3.413 123.793 120.400 -0.033 0.000 2.411 39 D HA 0.213 4.853 4.640 -0.000 0.000 0.225 39 D C 1.040 177.319 176.300 -0.036 0.000 1.156 39 D CA -0.164 53.819 54.000 -0.028 0.000 0.874 39 D CB 0.925 41.719 40.800 -0.010 0.000 1.034 39 D HN 0.525 nan 8.370 nan 0.000 0.502 40 I N 2.916 123.446 120.570 -0.067 0.000 2.236 40 I HA -0.306 3.864 4.170 -0.000 0.000 0.249 40 I C 1.777 177.890 176.117 -0.007 0.000 1.102 40 I CA 1.454 62.695 61.300 -0.099 0.000 1.365 40 I CB 0.245 38.091 38.000 -0.258 0.000 1.051 40 I HN 0.439 nan 8.210 nan 0.000 0.420 41 E N 1.272 121.497 120.200 0.042 0.000 2.118 41 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 41 E C 1.970 178.606 176.600 0.059 0.000 0.992 41 E CA 1.753 58.208 56.400 0.091 0.000 0.804 41 E CB -0.307 29.441 29.700 0.080 0.000 0.741 41 E HN 0.579 nan 8.360 nan 0.000 0.458 42 A N -0.077 122.761 122.820 0.029 0.000 1.933 42 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 42 A C 2.454 180.047 177.584 0.015 0.000 1.175 42 A CA 1.555 53.605 52.037 0.021 0.000 0.628 42 A CB -0.593 18.411 19.000 0.006 0.000 0.814 42 A HN 0.198 nan 8.150 nan 0.000 0.444 43 V N -0.410 119.502 119.914 -0.003 0.000 2.307 43 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 43 V C 2.704 178.806 176.094 0.014 0.000 1.045 43 V CA 2.407 64.691 62.300 -0.027 0.000 1.024 43 V CB -1.403 30.384 31.823 -0.060 0.000 0.651 43 V HN 0.573 nan 8.190 nan 0.000 0.449 44 T N 0.694 115.283 114.554 0.057 0.000 2.759 44 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 44 T C 2.079 176.826 174.700 0.078 0.000 1.042 44 T CA 1.643 63.800 62.100 0.095 0.000 1.140 44 T CB -0.475 68.496 68.868 0.171 0.000 0.864 44 T HN 0.567 nan 8.240 nan 0.000 0.455 45 A N 1.638 124.500 122.820 0.070 0.000 1.940 45 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 45 A C 2.285 179.914 177.584 0.075 0.000 1.176 45 A CA 1.613 53.689 52.037 0.065 0.000 0.631 45 A CB -0.396 18.638 19.000 0.057 0.000 0.814 45 A HN 0.459 nan 8.150 nan 0.000 0.446 46 K N -0.648 119.806 120.400 0.091 0.000 2.076 46 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 46 K C 1.882 178.622 176.600 0.234 0.000 1.051 46 K CA 1.098 57.480 56.287 0.159 0.000 0.949 46 K CB -0.267 32.334 32.500 0.168 0.000 0.726 46 K HN 0.287 nan 8.250 nan 0.000 0.443 47 V N 2.116 122.146 119.914 0.193 0.000 2.287 47 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 47 V C 1.870 178.022 176.094 0.096 0.000 1.053 47 V CA 1.847 64.264 62.300 0.195 0.000 1.027 47 V CB -0.463 31.418 31.823 0.096 0.000 0.646 47 V HN 0.348 nan 8.190 nan 0.000 0.447 48 E N -0.141 120.097 120.200 0.063 0.000 2.219 48 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 48 E C 1.837 178.399 176.600 -0.062 0.000 0.998 48 E CA 1.091 57.516 56.400 0.042 0.000 0.818 48 E CB -0.107 29.630 29.700 0.061 0.000 0.741 48 E HN 0.606 nan 8.360 nan 0.000 0.477 49 K N -0.197 120.108 120.400 -0.159 0.000 2.358 49 K HA 0.088 4.408 4.320 -0.000 0.000 0.197 49 K C -0.121 175.907 176.600 -0.954 0.000 1.025 49 K CA -0.320 55.685 56.287 -0.470 0.000 1.104 49 K CB 0.342 32.754 32.500 -0.146 0.000 0.855 49 K HN -0.025 nan 8.250 nan 0.000 0.531 50 F N 1.556 121.040 119.950 -0.778 0.000 2.411 50 F HA 0.316 4.843 4.527 -0.000 0.000 0.355 50 F C -0.662 174.735 175.800 -0.673 0.000 1.117 50 F CA -0.955 56.619 58.000 -0.709 0.000 1.139 50 F CB 0.363 38.981 39.000 -0.636 0.000 1.120 50 F HN -0.224 nan 8.300 nan 0.000 0.493 51 F N 5.100 124.697 119.950 -0.589 0.000 2.561 51 F HA 0.687 5.214 4.527 -0.000 0.000 0.321 51 F C -0.613 174.968 175.800 -0.365 0.000 1.065 51 F CA -1.452 56.358 58.000 -0.317 0.000 0.934 51 F CB 1.646 40.527 39.000 -0.199 0.000 1.215 51 F HN 0.229 nan 8.300 nan 0.000 0.471 52 V N 1.922 121.904 119.914 0.113 0.000 2.623 52 V HA 0.842 4.962 4.120 -0.000 0.000 0.304 52 V C -0.668 175.491 176.094 0.110 0.000 1.054 52 V CA -0.760 61.631 62.300 0.152 0.000 0.882 52 V CB 1.380 33.349 31.823 0.242 0.000 1.002 52 V HN 1.071 nan 8.190 nan 0.000 0.424 53 A N 5.751 128.629 122.820 0.098 0.000 2.445 53 A HA 0.649 4.969 4.320 -0.000 0.000 0.242 53 A C -0.233 177.351 177.584 -0.001 0.000 1.075 53 A CA -0.076 51.980 52.037 0.032 0.000 0.777 53 A CB 0.718 19.743 19.000 0.041 0.000 1.013 53 A HN 1.132 nan 8.150 nan 0.000 0.493 54 V N 4.471 124.349 119.914 -0.059 0.000 2.472 54 V HA 0.415 4.535 4.120 -0.000 0.000 0.290 54 V C -2.043 173.920 176.094 -0.218 0.000 1.037 54 V CA -1.470 60.760 62.300 -0.117 0.000 0.908 54 V CB 1.773 33.531 31.823 -0.107 0.000 0.985 54 V HN 0.869 nan 8.190 nan 0.000 0.454 55 P HA 0.147 nan 4.420 nan 0.000 0.282 55 P C 0.719 177.636 177.300 -0.639 0.000 1.262 55 P CA -0.130 62.420 63.100 -0.918 0.000 0.773 55 P CB 1.455 32.199 31.700 -1.594 0.000 0.879 56 S N 3.139 118.653 115.700 -0.310 0.000 2.383 56 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 56 S C 1.417 176.064 174.600 0.079 0.000 1.030 56 S CA 0.783 58.992 58.200 0.015 0.000 1.002 56 S CB -1.451 61.895 63.200 0.243 0.000 0.829 56 S HN 0.689 nan 8.310 nan 0.000 0.467 57 W N 1.744 123.173 121.300 0.216 0.000 3.204 57 W HA 0.610 5.270 4.660 -0.000 0.000 0.249 57 W C 1.465 178.041 176.519 0.095 0.000 1.322 57 W CA -0.409 57.022 57.345 0.144 0.000 1.593 57 W CB -0.643 28.977 29.460 0.267 0.000 1.122 57 W HN 0.218 nan 8.180 nan 0.000 0.710 58 G N 0.854 109.508 108.800 -0.243 0.000 2.921 58 G HA2 0.003 3.963 3.960 -0.000 0.000 0.213 58 G HA3 0.003 3.963 3.960 -0.000 0.000 0.213 58 G C 1.070 176.033 174.900 0.105 0.000 1.143 58 G CA 0.604 45.665 45.100 -0.066 0.000 0.764 58 G HN 0.390 nan 8.290 nan 0.000 0.542 59 V N -1.362 118.566 119.914 0.023 0.000 3.461 59 V HA 0.426 4.546 4.120 -0.000 0.000 0.267 59 V C 1.149 177.281 176.094 0.063 0.000 1.186 59 V CA 0.199 62.510 62.300 0.019 0.000 1.154 59 V CB -0.495 31.333 31.823 0.008 0.000 0.802 59 V HN 0.184 nan 8.190 nan 0.000 0.474 60 G N -0.019 108.833 108.800 0.087 0.000 2.410 60 G HA2 0.497 4.457 3.960 -0.000 0.000 0.330 60 G HA3 0.497 4.457 3.960 -0.000 0.000 0.330 60 G C -0.327 174.638 174.900 0.108 0.000 1.142 60 G CA -0.402 44.746 45.100 0.079 0.000 0.902 60 G HN 0.182 nan 8.290 nan 0.000 0.491 61 T N 0.782 115.393 114.554 0.095 0.000 2.888 61 T HA 0.443 4.793 4.350 -0.000 0.000 0.301 61 T C 1.008 175.761 174.700 0.087 0.000 1.001 61 T CA 0.540 62.709 62.100 0.115 0.000 1.147 61 T CB 1.103 70.037 68.868 0.110 0.000 0.931 61 T HN 0.708 nan 8.240 nan 0.000 0.541 62 G N 1.049 109.908 108.800 0.097 0.000 2.537 62 G HA2 0.740 4.700 3.960 -0.000 0.000 0.297 62 G HA3 0.740 4.700 3.960 -0.000 0.000 0.297 62 G C -0.066 174.873 174.900 0.064 0.000 1.310 62 G CA -0.384 44.752 45.100 0.060 0.000 1.027 62 G HN 0.982 nan 8.290 nan 0.000 0.505 63 G N -1.996 106.831 108.800 0.045 0.000 2.721 63 G HA2 0.701 4.661 3.960 -0.000 0.000 0.296 63 G HA3 0.701 4.661 3.960 -0.000 0.000 0.296 63 G C -0.469 174.465 174.900 0.056 0.000 1.383 63 G CA 0.364 45.493 45.100 0.047 0.000 0.788 63 G HN 1.129 nan 8.290 nan 0.000 0.500 64 T N -2.954 111.643 114.554 0.072 0.000 2.905 64 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 64 T C 1.415 176.127 174.700 0.020 0.000 1.031 64 T CA -0.223 61.931 62.100 0.090 0.000 1.002 64 T CB 1.717 70.709 68.868 0.206 0.000 1.200 64 T HN 0.801 nan 8.240 nan 0.000 0.560 65 R N -0.599 119.862 120.500 -0.065 0.000 2.285 65 R HA 0.087 4.427 4.340 -0.000 0.000 0.213 65 R C 1.076 177.192 176.300 -0.308 0.000 1.068 65 R CA 1.091 57.065 56.100 -0.210 0.000 1.004 65 R CB -0.699 29.409 30.300 -0.320 0.000 0.873 65 R HN 0.507 nan 8.270 nan 0.000 0.467 66 F N 0.894 120.848 119.950 0.007 0.000 2.387 66 F HA 0.381 4.908 4.527 -0.000 0.000 0.294 66 F C 1.130 176.896 175.800 -0.056 0.000 1.093 66 F CA 0.612 58.610 58.000 -0.003 0.000 1.420 66 F CB 0.381 39.397 39.000 0.026 0.000 1.086 66 F HN 0.223 nan 8.300 nan 0.000 0.531 67 A N -0.431 122.421 122.820 0.054 0.000 2.522 67 A HA 0.647 4.967 4.320 -0.000 0.000 0.291 67 A C -1.247 176.148 177.584 -0.316 0.000 1.039 67 A CA -0.855 51.054 52.037 -0.212 0.000 0.643 67 A CB 0.977 19.731 19.000 -0.410 0.000 1.310 67 A HN 0.046 nan 8.150 nan 0.000 0.436 68 R N 0.201 120.400 120.500 -0.501 0.000 2.538 68 R HA 0.671 5.011 4.340 -0.000 0.000 0.292 68 R C -2.138 173.879 176.300 -0.472 0.000 1.008 68 R CA -0.455 55.445 56.100 -0.332 0.000 0.896 68 R CB 0.845 31.058 30.300 -0.145 0.000 1.187 68 R HN 0.575 nan 8.270 nan 0.000 0.440 69 F N 5.819 125.797 119.950 0.048 0.000 2.371 69 F HA 0.341 4.868 4.527 -0.000 0.000 0.343 69 F C -1.639 174.186 175.800 0.043 0.000 1.150 69 F CA -2.085 55.941 58.000 0.043 0.000 1.220 69 F CB 0.946 39.973 39.000 0.045 0.000 1.475 69 F HN 0.289 nan 8.300 nan 0.000 0.521 70 P HA 0.157 nan 4.420 nan 0.000 0.268 70 P C 0.383 177.753 177.300 0.116 0.000 1.208 70 P CA 0.133 63.299 63.100 0.109 0.000 0.777 70 P CB 1.400 33.137 31.700 0.063 0.000 0.875 71 G N 1.095 109.954 108.800 0.098 0.000 2.606 71 G HA2 0.537 4.497 3.960 -0.000 0.000 0.262 71 G HA3 0.537 4.497 3.960 -0.000 0.000 0.262 71 G C -0.332 174.609 174.900 0.068 0.000 1.394 71 G CA -0.390 44.762 45.100 0.087 0.000 1.044 71 G HN 0.666 nan 8.290 nan 0.000 0.553 72 T N -3.601 110.989 114.554 0.059 0.000 2.922 72 T HA 0.471 4.821 4.350 -0.000 0.000 0.285 72 T C 1.126 175.851 174.700 0.041 0.000 1.005 72 T CA 0.671 62.796 62.100 0.043 0.000 1.061 72 T CB 1.163 70.049 68.868 0.030 0.000 1.007 72 T HN 2.178 nan 8.240 nan 0.000 0.502 73 G N 1.285 110.100 108.800 0.025 0.000 2.246 73 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.273 73 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.273 73 G C -0.093 174.831 174.900 0.041 0.000 1.055 73 G CA -0.193 44.917 45.100 0.017 0.000 0.851 73 G HN 0.882 nan 8.290 nan 0.000 0.500 74 E N 1.012 121.239 120.200 0.045 0.000 2.376 74 E HA 0.184 4.534 4.350 -0.000 0.000 0.266 74 E C -1.666 174.965 176.600 0.052 0.000 1.009 74 E CA -1.290 55.142 56.400 0.052 0.000 0.902 74 E CB 0.786 30.513 29.700 0.044 0.000 0.972 74 E HN 0.368 nan 8.360 nan 0.000 0.439 75 P HA 0.085 nan 4.420 nan 0.000 0.268 75 P C 0.206 177.542 177.300 0.061 0.000 1.204 75 P CA 0.045 63.189 63.100 0.072 0.000 0.768 75 P CB 0.857 32.609 31.700 0.086 0.000 0.842 76 R N 1.603 122.146 120.500 0.071 0.000 2.093 76 R HA 0.173 4.513 4.340 -0.000 0.000 0.224 76 R C 1.396 177.740 176.300 0.073 0.000 1.101 76 R CA 1.408 57.548 56.100 0.067 0.000 0.979 76 R CB -0.070 30.275 30.300 0.076 0.000 0.877 76 R HN 0.693 nan 8.270 nan 0.000 0.441 77 G N -1.025 107.832 108.800 0.096 0.000 2.650 77 G HA2 0.144 4.103 3.960 -0.000 0.000 0.310 77 G HA3 0.144 4.103 3.960 -0.000 0.000 0.310 77 G C -0.172 174.771 174.900 0.072 0.000 1.270 77 G CA -0.667 44.486 45.100 0.088 0.000 0.810 77 G HN -0.008 nan 8.290 nan 0.000 0.493 78 I N -0.347 120.220 120.570 -0.005 0.000 2.264 78 I HA -0.025 4.145 4.170 -0.000 0.000 0.248 78 I C 2.313 178.367 176.117 -0.106 0.000 1.111 78 I CA 1.656 62.903 61.300 -0.089 0.000 1.382 78 I CB -0.406 37.446 38.000 -0.247 0.000 1.060 78 I HN 0.376 nan 8.210 nan 0.000 0.418 79 F N 0.756 120.774 119.950 0.113 0.000 2.171 79 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 79 F C 2.360 178.217 175.800 0.095 0.000 1.090 79 F CA 1.571 59.632 58.000 0.102 0.000 1.293 79 F CB -1.002 38.048 39.000 0.083 0.000 1.013 79 F HN 0.126 nan 8.300 nan 0.000 0.486 80 D N 0.106 120.653 120.400 0.245 0.000 2.149 80 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 80 D C 2.128 178.520 176.300 0.152 0.000 0.972 80 D CA 0.992 55.100 54.000 0.179 0.000 0.835 80 D CB -0.248 40.635 40.800 0.139 0.000 0.966 80 D HN 0.241 nan 8.370 nan 0.000 0.476 81 K N 0.274 120.749 120.400 0.125 0.000 2.057 81 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 81 K C 2.285 178.940 176.600 0.091 0.000 1.049 81 K CA 0.583 56.929 56.287 0.099 0.000 0.931 81 K CB -0.105 32.449 32.500 0.091 0.000 0.714 81 K HN 0.153 nan 8.250 nan 0.000 0.440 82 L N 1.125 122.413 121.223 0.107 0.000 2.046 82 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 82 L C 1.896 178.817 176.870 0.085 0.000 1.077 82 L CA 1.065 55.962 54.840 0.094 0.000 0.747 82 L CB -0.466 41.679 42.059 0.145 0.000 0.896 82 L HN 0.184 nan 8.230 nan 0.000 0.432 83 D N 0.085 120.565 120.400 0.134 0.000 2.123 83 D HA -0.183 4.457 4.640 -0.000 0.000 0.196 83 D C 1.763 178.143 176.300 0.133 0.000 0.992 83 D CA 1.251 55.337 54.000 0.144 0.000 0.833 83 D CB -0.150 40.766 40.800 0.194 0.000 0.954 83 D HN 0.305 nan 8.370 nan 0.000 0.455 84 D N -0.418 120.067 120.400 0.142 0.000 2.149 84 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 84 D C 2.169 178.460 176.300 -0.016 0.000 0.972 84 D CA 0.407 54.471 54.000 0.108 0.000 0.835 84 D CB -0.493 40.392 40.800 0.142 0.000 0.966 84 D HN 0.211 nan 8.370 nan 0.000 0.476 85 C N 1.110 120.400 119.300 -0.016 0.000 2.422 85 C HA 0.005 4.465 4.460 -0.000 0.000 0.279 85 C C 2.852 177.787 174.990 -0.091 0.000 1.305 85 C CA 0.591 59.571 59.018 -0.064 0.000 1.757 85 C CB -0.972 26.733 27.740 -0.058 0.000 1.962 85 C HN 0.348 nan 8.230 nan 0.000 0.499 86 A N 0.267 123.041 122.820 -0.077 0.000 1.933 86 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 86 A C 2.271 179.779 177.584 -0.126 0.000 1.175 86 A CA 2.022 53.997 52.037 -0.102 0.000 0.628 86 A CB -0.626 18.330 19.000 -0.074 0.000 0.814 86 A HN 0.380 nan 8.150 nan 0.000 0.444 87 V N 0.241 120.060 119.914 -0.157 0.000 2.343 87 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 87 V C 2.408 178.412 176.094 -0.151 0.000 1.051 87 V CA 2.009 64.184 62.300 -0.208 0.000 1.036 87 V CB -0.648 30.939 31.823 -0.395 0.000 0.654 87 V HN 0.592 nan 8.190 nan 0.000 0.451 88 I N -0.063 120.416 120.570 -0.151 0.000 2.179 88 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 88 I C 2.641 178.700 176.117 -0.096 0.000 1.088 88 I CA 1.823 63.042 61.300 -0.134 0.000 1.357 88 I CB -0.434 37.485 38.000 -0.135 0.000 1.051 88 I HN 0.356 nan 8.210 nan 0.000 0.409 89 Q N 1.246 120.985 119.800 -0.101 0.000 2.046 89 Q HA -0.263 4.077 4.340 -0.000 0.000 0.200 89 Q C 2.154 178.109 176.000 -0.075 0.000 0.975 89 Q CA 1.821 57.568 55.803 -0.094 0.000 0.836 89 Q CB -0.432 28.227 28.738 -0.133 0.000 0.896 89 Q HN 0.463 nan 8.270 nan 0.000 0.428 90 Q N -0.614 119.135 119.800 -0.084 0.000 2.096 90 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 90 Q C 1.996 177.990 176.000 -0.009 0.000 0.982 90 Q CA 1.712 57.483 55.803 -0.052 0.000 0.850 90 Q CB -0.071 28.639 28.738 -0.047 0.000 0.901 90 Q HN 0.520 nan 8.270 nan 0.000 0.422 91 L N -0.528 120.684 121.223 -0.019 0.000 2.162 91 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 91 L C 2.579 179.449 176.870 0.001 0.000 1.086 91 L CA 1.527 56.367 54.840 -0.001 0.000 0.778 91 L CB -0.350 41.706 42.059 -0.005 0.000 0.928 91 L HN 0.374 nan 8.230 nan 0.000 0.446 92 T N -4.999 109.550 114.554 -0.009 0.000 3.040 92 T HA 0.050 4.400 4.350 -0.000 0.000 0.252 92 T C 1.158 175.883 174.700 0.042 0.000 1.064 92 T CA -0.319 61.787 62.100 0.009 0.000 1.110 92 T CB 0.229 69.096 68.868 -0.002 0.000 0.921 92 T HN 0.105 nan 8.240 nan 0.000 0.480 93 R N 0.344 120.865 120.500 0.035 0.000 3.953 93 R HA -0.155 4.185 4.340 -0.000 0.000 0.340 93 R C 0.897 177.303 176.300 0.177 0.000 1.195 93 R CA 0.897 57.039 56.100 0.070 0.000 0.929 93 R CB -2.419 27.934 30.300 0.088 0.000 1.402 93 R HN 0.713 nan 8.270 nan 0.000 0.540 94 A N -0.228 122.684 122.820 0.154 0.000 2.431 94 A HA 0.172 4.492 4.320 -0.000 0.000 0.239 94 A C 0.893 178.606 177.584 0.215 0.000 1.230 94 A CA 0.878 53.077 52.037 0.270 0.000 0.928 94 A CB 0.442 19.548 19.000 0.176 0.000 1.006 94 A HN 0.301 nan 8.150 nan 0.000 0.520 95 T N -2.624 111.962 114.554 0.054 0.000 3.585 95 T HA 0.333 4.683 4.350 -0.000 0.000 0.252 95 T C -1.851 172.766 174.700 -0.139 0.000 1.382 95 T CA -0.980 61.105 62.100 -0.025 0.000 1.584 95 T CB 0.924 69.771 68.868 -0.035 0.000 0.892 95 T HN 0.099 nan 8.240 nan 0.000 0.671 96 P HA -0.004 nan 4.420 nan 0.000 0.225 96 P C -0.195 176.930 177.300 -0.293 0.000 1.148 96 P CA 0.577 63.468 63.100 -0.348 0.000 0.779 96 P CB 0.230 31.566 31.700 -0.607 0.000 0.780 97 N N -0.408 118.155 118.700 -0.229 0.000 2.319 97 N HA 0.353 5.093 4.740 -0.000 0.000 0.305 97 N C -0.879 174.546 175.510 -0.141 0.000 1.103 97 N CA -0.626 52.302 53.050 -0.203 0.000 0.815 97 N CB 2.709 41.110 38.487 -0.144 0.000 1.288 97 N HN -0.250 nan 8.380 nan 0.000 0.493 98 V N 0.312 120.143 119.914 -0.139 0.000 2.628 98 V HA 0.385 4.505 4.120 -0.000 0.000 0.306 98 V C 0.120 176.279 176.094 0.109 0.000 1.045 98 V CA -0.738 61.541 62.300 -0.035 0.000 0.905 98 V CB 1.888 33.693 31.823 -0.030 0.000 0.997 98 V HN 0.644 nan 8.190 nan 0.000 0.436 99 S N 4.550 120.304 115.700 0.089 0.000 2.429 99 S HA 0.669 5.139 4.470 -0.000 0.000 0.302 99 S C -0.535 174.246 174.600 0.301 0.000 1.115 99 S CA -0.542 57.772 58.200 0.188 0.000 1.095 99 S CB 0.127 63.426 63.200 0.165 0.000 0.987 99 S HN 0.524 nan 8.310 nan 0.000 0.474 100 L N 4.660 126.080 121.223 0.328 0.000 2.379 100 L HA 0.502 4.842 4.340 -0.000 0.000 0.269 100 L C 0.240 177.356 176.870 0.411 0.000 1.084 100 L CA -0.811 54.238 54.840 0.349 0.000 0.802 100 L CB 0.832 42.994 42.059 0.172 0.000 1.175 100 L HN 0.611 nan 8.230 nan 0.000 0.448 101 H N 2.323 121.625 119.070 0.387 0.000 2.658 101 H HA 0.473 5.029 4.556 -0.000 0.000 0.337 101 H C -1.207 174.160 175.328 0.066 0.000 1.009 101 H CA -0.575 55.588 56.048 0.192 0.000 1.231 101 H CB 1.880 31.762 29.762 0.200 0.000 1.508 101 H HN 0.271 nan 8.280 nan 0.000 0.517 102 I N 6.974 127.576 120.570 0.053 0.000 2.525 102 I HA 0.227 4.397 4.170 -0.000 0.000 0.301 102 I C -1.479 174.656 176.117 0.031 0.000 0.992 102 I CA -2.668 58.669 61.300 0.061 0.000 1.162 102 I CB 1.953 39.952 38.000 -0.002 0.000 1.332 102 I HN 0.446 nan 8.210 nan 0.000 0.458 103 P HA -0.054 nan 4.420 nan 0.000 0.249 103 P C 0.943 178.371 177.300 0.213 0.000 1.229 103 P CA 0.499 63.664 63.100 0.109 0.000 0.788 103 P CB 0.116 31.877 31.700 0.102 0.000 1.072 104 W N 1.992 123.364 121.300 0.120 0.000 2.318 104 W HA -0.117 4.543 4.660 -0.000 0.000 0.313 104 W C 1.070 177.645 176.519 0.092 0.000 1.221 104 W CA 1.200 58.606 57.345 0.101 0.000 1.266 104 W CB -1.738 27.795 29.460 0.122 0.000 1.150 104 W HN 0.114 nan 8.180 nan 0.000 0.496 105 D N -0.227 120.379 120.400 0.342 0.000 2.358 105 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 105 D C 0.394 176.730 176.300 0.060 0.000 1.123 105 D CA 0.113 54.215 54.000 0.170 0.000 0.833 105 D CB -0.327 40.582 40.800 0.181 0.000 0.946 105 D HN 0.077 nan 8.370 nan 0.000 0.505 106 K N 1.221 121.673 120.400 0.086 0.000 2.451 106 K HA 0.316 4.635 4.320 -0.000 0.000 0.280 106 K C -0.406 176.209 176.600 0.025 0.000 1.020 106 K CA 0.066 56.379 56.287 0.043 0.000 1.008 106 K CB 0.394 32.932 32.500 0.064 0.000 0.917 106 K HN 0.083 nan 8.250 nan 0.000 0.478 107 A N 3.498 126.322 122.820 0.006 0.000 2.515 107 A HA 0.147 4.467 4.320 -0.000 0.000 0.292 107 A C -1.692 175.921 177.584 0.049 0.000 1.065 107 A CA -0.890 51.173 52.037 0.044 0.000 0.641 107 A CB 0.577 19.579 19.000 0.004 0.000 1.306 107 A HN 0.795 nan 8.150 nan 0.000 0.441 108 D N 0.798 121.263 120.400 0.108 0.000 2.426 108 D HA 0.311 4.951 4.640 -0.000 0.000 0.261 108 D C -1.475 174.864 176.300 0.066 0.000 1.245 108 D CA -0.707 53.344 54.000 0.084 0.000 0.917 108 D CB 0.806 41.668 40.800 0.103 0.000 1.123 108 D HN 0.115 nan 8.370 nan 0.000 0.508 109 P HA -0.216 nan 4.420 nan 0.000 0.217 109 P C 0.833 178.141 177.300 0.013 0.000 1.151 109 P CA 1.560 64.643 63.100 -0.028 0.000 0.849 109 P CB 0.171 31.849 31.700 -0.036 0.000 0.787 110 K N -0.258 120.168 120.400 0.043 0.000 2.026 110 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 110 K C 2.068 178.731 176.600 0.104 0.000 1.048 110 K CA 1.407 57.731 56.287 0.062 0.000 0.929 110 K CB -0.416 32.114 32.500 0.050 0.000 0.713 110 K HN 0.292 nan 8.250 nan 0.000 0.439 111 E N 1.125 121.411 120.200 0.143 0.000 2.031 111 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 111 E C 2.197 179.000 176.600 0.337 0.000 0.994 111 E CA 1.033 57.565 56.400 0.220 0.000 0.800 111 E CB -0.230 29.647 29.700 0.296 0.000 0.752 111 E HN 0.191 nan 8.360 nan 0.000 0.447 112 L N 0.982 122.385 121.223 0.300 0.000 1.997 112 L HA -0.274 4.066 4.340 -0.000 0.000 0.216 112 L C 2.624 179.695 176.870 0.336 0.000 1.074 112 L CA 1.427 56.406 54.840 0.231 0.000 0.763 112 L CB -0.524 41.462 42.059 -0.123 0.000 0.890 112 L HN 0.055 nan 8.230 nan 0.000 0.434 113 K N 0.334 120.867 120.400 0.221 0.000 2.063 113 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 113 K C 1.986 178.730 176.600 0.240 0.000 1.048 113 K CA 1.642 58.114 56.287 0.307 0.000 0.928 113 K CB -0.421 32.178 32.500 0.165 0.000 0.713 113 K HN 0.285 nan 8.250 nan 0.000 0.442 114 A N 0.496 123.425 122.820 0.183 0.000 1.877 114 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 114 A C 2.214 179.880 177.584 0.136 0.000 1.186 114 A CA 1.865 53.979 52.037 0.130 0.000 0.620 114 A CB -0.598 18.462 19.000 0.099 0.000 0.822 114 A HN 0.298 nan 8.150 nan 0.000 0.443 115 R N -0.019 120.603 120.500 0.204 0.000 2.073 115 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 115 R C 2.208 178.592 176.300 0.140 0.000 1.134 115 R CA 1.907 58.124 56.100 0.196 0.000 0.952 115 R CB -1.444 29.064 30.300 0.347 0.000 0.850 115 R HN 0.401 nan 8.270 nan 0.000 0.433 116 G N 0.478 109.384 108.800 0.178 0.000 2.446 116 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 116 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 116 G C 1.049 175.915 174.900 -0.058 0.000 1.168 116 G CA 1.130 46.220 45.100 -0.017 0.000 0.771 116 G HN 0.359 nan 8.290 nan 0.000 0.551 117 D N 1.052 121.459 120.400 0.012 0.000 2.117 117 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 117 D C 2.821 179.103 176.300 -0.030 0.000 0.987 117 D CA 1.319 55.311 54.000 -0.013 0.000 0.829 117 D CB -0.410 40.404 40.800 0.025 0.000 0.961 117 D HN 0.334 nan 8.370 nan 0.000 0.460 118 A N 0.473 123.291 122.820 -0.004 0.000 1.969 118 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 118 A C 2.279 179.830 177.584 -0.056 0.000 1.169 118 A CA 0.724 52.751 52.037 -0.015 0.000 0.635 118 A CB -0.485 18.524 19.000 0.014 0.000 0.810 118 A HN 0.203 nan 8.150 nan 0.000 0.445 119 L N -1.476 119.711 121.223 -0.061 0.000 2.567 119 L HA 0.221 4.561 4.340 -0.000 0.000 0.225 119 L C 1.481 178.253 176.870 -0.164 0.000 1.119 119 L CA 0.498 55.276 54.840 -0.103 0.000 0.871 119 L CB -0.087 41.935 42.059 -0.062 0.000 1.036 119 L HN 0.548 nan 8.230 nan 0.000 0.459 120 G N 1.163 109.869 108.800 -0.157 0.000 2.212 120 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.255 120 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.255 120 G C -0.245 174.528 174.900 -0.212 0.000 1.062 120 G CA -0.165 44.827 45.100 -0.181 0.000 0.815 120 G HN 0.207 nan 8.290 nan 0.000 0.497 121 L N -0.281 120.800 121.223 -0.238 0.000 2.362 121 L HA 0.802 5.141 4.340 -0.000 0.000 0.271 121 L C 0.989 177.579 176.870 -0.466 0.000 1.002 121 L CA -0.560 54.080 54.840 -0.333 0.000 0.818 121 L CB 2.029 43.883 42.059 -0.341 0.000 1.298 121 L HN 0.248 nan 8.230 nan 0.000 0.420 122 G N 0.755 109.274 108.800 -0.470 0.000 2.642 122 G HA2 0.708 4.668 3.960 -0.000 0.000 0.291 122 G HA3 0.708 4.668 3.960 -0.000 0.000 0.291 122 G C -1.470 173.017 174.900 -0.687 0.000 1.345 122 G CA -0.353 44.470 45.100 -0.461 0.000 1.043 122 G HN 0.259 nan 8.290 nan 0.000 0.528 123 F N -0.666 119.256 119.950 -0.047 0.000 2.518 123 F HA 0.404 4.931 4.527 -0.000 0.000 0.323 123 F C 0.210 175.980 175.800 -0.051 0.000 1.129 123 F CA -0.694 57.287 58.000 -0.032 0.000 0.920 123 F CB 2.377 41.372 39.000 -0.008 0.000 1.160 123 F HN 0.493 nan 8.300 nan 0.000 0.440 124 D N 1.050 121.530 120.400 0.133 0.000 2.446 124 D HA 0.647 5.287 4.640 -0.000 0.000 0.288 124 D C -0.307 176.024 176.300 0.051 0.000 1.195 124 D CA -0.245 53.789 54.000 0.057 0.000 1.095 124 D CB 0.701 41.538 40.800 0.060 0.000 1.153 124 D HN 0.632 nan 8.370 nan 0.000 0.568 125 A N 0.501 123.356 122.820 0.059 0.000 2.540 125 A HA 0.210 4.530 4.320 -0.000 0.000 0.239 125 A C 0.005 177.650 177.584 0.100 0.000 1.061 125 A CA 0.086 52.151 52.037 0.046 0.000 0.758 125 A CB -0.115 19.002 19.000 0.196 0.000 0.991 125 A HN 0.419 nan 8.150 nan 0.000 0.502 126 M N 2.353 121.983 119.600 0.050 0.000 2.241 126 M HA 0.191 4.671 4.480 -0.000 0.000 0.335 126 M C 0.041 176.375 176.300 0.057 0.000 1.122 126 M CA 0.217 55.564 55.300 0.078 0.000 1.164 126 M CB 0.166 32.827 32.600 0.101 0.000 1.459 126 M HN 0.658 nan 8.290 nan 0.000 0.461 127 N N 1.116 119.790 118.700 -0.043 0.000 2.399 127 N HA 0.315 5.055 4.740 -0.000 0.000 0.284 127 N C -0.888 174.374 175.510 -0.413 0.000 1.025 127 N CA -0.227 52.669 53.050 -0.257 0.000 0.885 127 N CB 1.802 39.972 38.487 -0.527 0.000 1.339 127 N HN 0.618 nan 8.380 nan 0.000 0.487 128 S N 1.547 117.125 115.700 -0.202 0.000 2.632 128 S HA 0.347 4.817 4.470 -0.000 0.000 0.271 128 S C -0.011 174.574 174.600 -0.025 0.000 1.260 128 S CA -0.741 57.437 58.200 -0.037 0.000 1.010 128 S CB 1.605 64.831 63.200 0.042 0.000 0.965 128 S HN 0.538 nan 8.310 nan 0.000 0.534 129 N N 0.845 119.561 118.700 0.027 0.000 2.617 129 N HA 0.253 4.993 4.740 -0.000 0.000 0.263 129 N C -0.568 174.514 175.510 -0.712 0.000 1.074 129 N CA -0.398 52.340 53.050 -0.520 0.000 0.841 129 N CB 1.237 39.273 38.487 -0.751 0.000 1.221 129 N HN 0.847 nan 8.380 nan 0.000 0.529 130 T N -0.016 114.170 114.554 -0.615 0.000 3.331 130 T HA 0.222 4.572 4.350 -0.000 0.000 0.282 130 T C 0.392 174.757 174.700 -0.558 0.000 1.010 130 T CA -0.490 61.123 62.100 -0.811 0.000 0.928 130 T CB -1.196 67.070 68.868 -1.002 0.000 1.154 130 T HN 0.266 nan 8.240 nan 0.000 0.516 131 F N 0.444 120.261 119.950 -0.221 0.000 2.683 131 F HA 0.673 5.200 4.527 -0.000 0.000 0.306 131 F C 0.086 175.898 175.800 0.020 0.000 1.102 131 F CA -1.151 56.764 58.000 -0.142 0.000 1.244 131 F CB -0.235 38.646 39.000 -0.199 0.000 1.029 131 F HN 0.298 nan 8.300 nan 0.000 0.545 132 S N -1.396 114.274 115.700 -0.050 0.000 2.565 132 S HA 0.473 4.943 4.470 -0.000 0.000 0.269 132 S C -1.765 172.861 174.600 0.043 0.000 1.153 132 S CA -0.958 57.272 58.200 0.050 0.000 0.835 132 S CB 2.051 65.282 63.200 0.052 0.000 1.122 132 S HN 0.015 nan 8.310 nan 0.000 0.462 133 D N 1.129 121.541 120.400 0.020 0.000 2.177 133 D HA 0.710 5.350 4.640 -0.000 0.000 0.247 133 D C 0.006 176.279 176.300 -0.044 0.000 1.063 133 D CA -0.005 53.959 54.000 -0.059 0.000 0.867 133 D CB 1.759 42.505 40.800 -0.089 0.000 1.168 133 D HN 0.861 nan 8.370 nan 0.000 0.445 134 A N 2.640 125.416 122.820 -0.074 0.000 2.294 134 A HA 0.669 4.989 4.320 -0.000 0.000 0.330 134 A C -2.408 175.151 177.584 -0.043 0.000 1.133 134 A CA -1.471 50.545 52.037 -0.035 0.000 0.836 134 A CB 0.411 19.391 19.000 -0.033 0.000 1.190 134 A HN 0.319 nan 8.150 nan 0.000 0.492 135 P HA 0.273 nan 4.420 nan 0.000 0.264 135 P C 0.927 178.205 177.300 -0.036 0.000 1.193 135 P CA 1.965 65.052 63.100 -0.021 0.000 0.763 135 P CB 0.555 32.255 31.700 -0.000 0.000 0.810 136 G N 1.677 110.448 108.800 -0.050 0.000 2.168 136 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.263 136 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.263 136 G C 0.271 175.117 174.900 -0.090 0.000 0.977 136 G CA -0.042 45.021 45.100 -0.061 0.000 0.659 136 G HN 0.667 nan 8.290 nan 0.000 0.533 137 Q N 0.008 119.740 119.800 -0.114 0.000 2.311 137 Q HA 0.583 4.923 4.340 -0.000 0.000 0.272 137 Q C 1.736 177.607 176.000 -0.216 0.000 1.012 137 Q CA 0.564 56.267 55.803 -0.166 0.000 0.891 137 Q CB 0.737 29.348 28.738 -0.212 0.000 1.201 137 Q HN 0.659 nan 8.270 nan 0.000 0.391 138 A N 5.150 127.816 122.820 -0.257 0.000 1.898 138 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 138 A C 0.234 177.441 177.584 -0.629 0.000 1.181 138 A CA 1.071 52.856 52.037 -0.421 0.000 0.620 138 A CB -0.026 18.704 19.000 -0.449 0.000 0.819 138 A HN 0.804 nan 8.150 nan 0.000 0.442 139 H N -0.575 118.354 119.070 -0.235 0.000 2.547 139 H HA 0.403 4.959 4.556 -0.000 0.000 0.342 139 H C -0.603 174.456 175.328 -0.449 0.000 1.048 139 H CA -0.509 55.371 56.048 -0.280 0.000 1.204 139 H CB 1.473 31.081 29.762 -0.257 0.000 1.493 139 H HN 0.264 nan 8.280 nan 0.000 0.511 140 S N 2.114 117.689 115.700 -0.208 0.000 2.576 140 S HA 0.045 4.515 4.470 -0.000 0.000 0.276 140 S C 0.121 174.618 174.600 -0.173 0.000 1.339 140 S CA -0.328 57.726 58.200 -0.243 0.000 1.039 140 S CB 0.244 63.383 63.200 -0.101 0.000 0.902 140 S HN 0.441 nan 8.310 nan 0.000 0.516 141 Y N 2.933 123.230 120.300 -0.006 0.000 2.532 141 Y HA 0.298 4.848 4.550 -0.000 0.000 0.283 141 Y C 1.754 177.669 175.900 0.024 0.000 1.181 141 Y CA -0.540 57.582 58.100 0.037 0.000 1.256 141 Y CB -0.527 37.920 38.460 -0.023 0.000 1.112 141 Y HN 0.745 nan 8.280 nan 0.000 0.521 142 K N 0.026 120.456 120.400 0.050 0.000 2.074 142 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 142 K C 0.168 176.621 176.600 -0.245 0.000 1.048 142 K CA 1.870 58.039 56.287 -0.197 0.000 0.926 142 K CB -0.148 32.056 32.500 -0.493 0.000 0.713 142 K HN 0.306 nan 8.250 nan 0.000 0.444 143 Y N -0.094 120.308 120.300 0.170 0.000 2.658 143 Y HA 0.358 4.908 4.550 0.000 0.000 0.276 143 Y C 0.562 176.427 175.900 -0.059 0.000 1.167 143 Y CA 0.080 58.182 58.100 0.004 0.000 1.230 143 Y CB 0.962 39.340 38.460 -0.136 0.000 1.144 143 Y HN 0.316 nan 8.280 nan 0.000 0.529 144 G N -0.558 108.384 108.800 0.237 0.000 2.371 144 G HA2 0.188 4.148 3.960 -0.000 0.000 0.663 144 G HA3 0.188 4.148 3.960 -0.000 0.000 0.663 144 G C 0.018 175.116 174.900 0.331 0.000 1.311 144 G CA -0.237 44.980 45.100 0.195 0.000 0.985 144 G HN 0.332 nan 8.290 nan 0.000 0.566 145 S N -1.307 114.469 115.700 0.128 0.000 4.163 145 S HA 0.347 4.817 4.470 -0.000 0.000 0.164 145 S C 2.018 176.638 174.600 0.034 0.000 0.896 145 S CA 0.582 58.767 58.200 -0.025 0.000 1.125 145 S CB -0.214 62.626 63.200 -0.601 0.000 1.698 145 S HN 0.935 nan 8.310 nan 0.000 0.817 146 L N 2.848 124.049 121.223 -0.038 0.000 2.265 146 L HA 0.041 4.381 4.340 -0.000 0.000 0.215 146 L C 2.185 179.097 176.870 0.070 0.000 1.117 146 L CA 1.492 56.323 54.840 -0.016 0.000 0.782 146 L CB -0.512 41.493 42.059 -0.090 0.000 0.914 146 L HN 0.713 nan 8.230 nan 0.000 0.441 147 S N -3.358 112.428 115.700 0.143 0.000 2.578 147 S HA 0.048 4.518 4.470 -0.000 0.000 0.231 147 S C 0.726 175.415 174.600 0.148 0.000 0.994 147 S CA -0.590 57.709 58.200 0.164 0.000 0.956 147 S CB -0.280 63.041 63.200 0.202 0.000 0.870 147 S HN 0.297 nan 8.310 nan 0.000 0.494 148 H N 2.973 122.089 119.070 0.078 0.000 2.948 148 H HA 0.039 4.595 4.556 -0.000 0.000 0.351 148 H C 1.587 176.949 175.328 0.057 0.000 1.079 148 H CA 1.715 57.818 56.048 0.090 0.000 1.407 148 H CB 1.380 31.209 29.762 0.113 0.000 1.373 148 H HN 0.457 nan 8.280 nan 0.000 0.605 149 T N 0.907 115.531 114.554 0.116 0.000 2.962 149 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 149 T C 0.899 175.709 174.700 0.183 0.000 1.088 149 T CA 0.523 62.691 62.100 0.114 0.000 1.127 149 T CB -0.050 68.826 68.868 0.013 0.000 0.883 149 T HN 0.417 nan 8.240 nan 0.000 0.493 150 N N 0.931 119.855 118.700 0.374 0.000 2.408 150 N HA 0.554 5.294 4.740 -0.000 0.000 0.257 150 N C 1.126 176.625 175.510 -0.018 0.000 1.064 150 N CA 0.261 53.374 53.050 0.105 0.000 0.952 150 N CB 1.119 39.598 38.487 -0.013 0.000 1.093 150 N HN 0.171 nan 8.380 nan 0.000 0.490 151 A N 4.031 126.828 122.820 -0.038 0.000 1.917 151 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 151 A C 2.105 179.618 177.584 -0.119 0.000 1.182 151 A CA 2.065 54.069 52.037 -0.056 0.000 0.633 151 A CB -1.242 17.732 19.000 -0.043 0.000 0.819 151 A HN 0.783 nan 8.150 nan 0.000 0.448 152 A N -1.150 121.542 122.820 -0.213 0.000 1.940 152 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 152 A C 2.300 179.638 177.584 -0.410 0.000 1.176 152 A CA 2.351 54.192 52.037 -0.327 0.000 0.631 152 A CB -1.272 17.425 19.000 -0.505 0.000 0.814 152 A HN 0.460 nan 8.150 nan 0.000 0.446 153 T N -0.308 113.949 114.554 -0.495 0.000 2.746 153 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 153 T C 2.047 176.725 174.700 -0.037 0.000 1.039 153 T CA 1.459 63.371 62.100 -0.313 0.000 1.142 153 T CB -0.228 68.313 68.868 -0.545 0.000 0.866 153 T HN 0.523 nan 8.240 nan 0.000 0.444 154 R N 1.086 121.564 120.500 -0.036 0.000 2.073 154 R HA 0.050 4.390 4.340 -0.000 0.000 0.234 154 R C 2.890 179.191 176.300 0.002 0.000 1.134 154 R CA 1.283 57.391 56.100 0.013 0.000 0.952 154 R CB -0.575 29.730 30.300 0.009 0.000 0.850 154 R HN 0.365 nan 8.270 nan 0.000 0.433 155 A N 1.329 124.136 122.820 -0.021 0.000 1.908 155 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 155 A C 2.154 179.753 177.584 0.026 0.000 1.181 155 A CA 1.591 53.621 52.037 -0.010 0.000 0.627 155 A CB -0.613 18.373 19.000 -0.023 0.000 0.818 155 A HN 0.415 nan 8.150 nan 0.000 0.445 156 Q N -0.577 119.256 119.800 0.054 0.000 2.124 156 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 156 Q C 2.158 178.255 176.000 0.161 0.000 0.977 156 Q CA 1.652 57.523 55.803 0.113 0.000 0.850 156 Q CB -0.337 28.491 28.738 0.150 0.000 0.901 156 Q HN 0.611 nan 8.270 nan 0.000 0.429 157 A N -0.042 122.876 122.820 0.163 0.000 1.898 157 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 157 A C 2.213 179.829 177.584 0.053 0.000 1.181 157 A CA 1.424 53.516 52.037 0.093 0.000 0.620 157 A CB -0.722 18.253 19.000 -0.041 0.000 0.819 157 A HN 0.297 nan 8.150 nan 0.000 0.442 158 V N 0.256 120.179 119.914 0.015 0.000 2.295 158 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 158 V C 2.652 178.743 176.094 -0.005 0.000 1.049 158 V CA 2.489 64.779 62.300 -0.017 0.000 1.024 158 V CB -0.746 31.056 31.823 -0.035 0.000 0.648 158 V HN 0.727 nan 8.190 nan 0.000 0.447 159 E N 0.096 120.308 120.200 0.020 0.000 2.070 159 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 159 E C 2.231 178.842 176.600 0.019 0.000 1.004 159 E CA 1.999 58.407 56.400 0.013 0.000 0.805 159 E CB -0.594 29.124 29.700 0.031 0.000 0.744 159 E HN 0.750 nan 8.360 nan 0.000 0.451 160 H N 0.073 119.132 119.070 -0.019 0.000 2.319 160 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 160 H C 1.725 177.021 175.328 -0.055 0.000 1.092 160 H CA 1.764 57.796 56.048 -0.028 0.000 1.302 160 H CB -0.026 29.732 29.762 -0.007 0.000 1.373 160 H HN 0.208 nan 8.280 nan 0.000 0.497 161 N N 0.679 119.308 118.700 -0.117 0.000 2.166 161 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 161 N C 2.366 177.768 175.510 -0.179 0.000 1.019 161 N CA 0.903 53.853 53.050 -0.167 0.000 0.856 161 N CB -0.073 38.375 38.487 -0.065 0.000 0.993 161 N HN 0.388 nan 8.380 nan 0.000 0.426 162 L N 1.217 122.354 121.223 -0.143 0.000 2.083 162 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 162 L C 2.457 179.220 176.870 -0.178 0.000 1.083 162 L CA 1.039 55.786 54.840 -0.155 0.000 0.752 162 L CB -0.373 41.614 42.059 -0.120 0.000 0.899 162 L HN 0.230 nan 8.230 nan 0.000 0.433 163 E N -0.269 119.824 120.200 -0.178 0.000 2.110 163 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 163 E C 2.312 178.795 176.600 -0.196 0.000 0.988 163 E CA 1.412 57.709 56.400 -0.171 0.000 0.804 163 E CB 0.040 29.648 29.700 -0.153 0.000 0.745 163 E HN 0.544 nan 8.360 nan 0.000 0.458 164 C N 0.339 119.484 119.300 -0.259 0.000 2.425 164 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 164 C C 2.493 177.428 174.990 -0.092 0.000 1.280 164 C CA 0.298 59.199 59.018 -0.196 0.000 1.744 164 C CB -0.781 26.819 27.740 -0.232 0.000 1.989 164 C HN 0.488 nan 8.230 nan 0.000 0.491 165 I N 0.572 121.049 120.570 -0.155 0.000 2.315 165 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 165 I C 2.566 178.489 176.117 -0.324 0.000 1.117 165 I CA 1.204 62.325 61.300 -0.299 0.000 1.404 165 I CB -0.531 37.182 38.000 -0.479 0.000 1.071 165 I HN 0.326 nan 8.210 nan 0.000 0.419 166 E N 0.839 120.901 120.200 -0.231 0.000 2.072 166 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 166 E C 2.311 178.848 176.600 -0.106 0.000 0.985 166 E CA 1.154 57.447 56.400 -0.179 0.000 0.801 166 E CB -0.107 29.508 29.700 -0.142 0.000 0.750 166 E HN 0.387 nan 8.360 nan 0.000 0.452 167 I N 0.591 121.111 120.570 -0.083 0.000 2.226 167 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 167 I C 2.412 178.518 176.117 -0.018 0.000 1.100 167 I CA 1.337 62.602 61.300 -0.059 0.000 1.374 167 I CB -1.676 36.282 38.000 -0.070 0.000 1.057 167 I HN 0.067 nan 8.210 nan 0.000 0.413 168 G N 1.056 109.903 108.800 0.078 0.000 2.408 168 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 168 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 168 G C 1.780 176.870 174.900 0.315 0.000 1.150 168 G CA 0.320 45.570 45.100 0.251 0.000 0.776 168 G HN 0.355 nan 8.290 nan 0.000 0.542 169 K N 0.639 121.177 120.400 0.231 0.000 2.097 169 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 169 K C 2.778 179.435 176.600 0.094 0.000 1.049 169 K CA 0.988 57.380 56.287 0.175 0.000 0.933 169 K CB -0.173 32.290 32.500 -0.063 0.000 0.717 169 K HN 0.276 nan 8.250 nan 0.000 0.442 170 A N 1.572 124.411 122.820 0.032 0.000 2.119 170 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 170 A C 1.918 179.510 177.584 0.012 0.000 1.153 170 A CA 0.842 52.885 52.037 0.010 0.000 0.692 170 A CB -0.544 18.445 19.000 -0.018 0.000 0.799 170 A HN 0.482 nan 8.150 nan 0.000 0.458 171 I N -6.556 114.015 120.570 0.002 0.000 4.082 171 I HA 0.531 4.701 4.170 -0.000 0.000 0.337 171 I C 1.073 177.270 176.117 0.133 0.000 1.352 171 I CA 0.605 61.891 61.300 -0.024 0.000 1.097 171 I CB 0.540 38.318 38.000 -0.370 0.000 1.048 171 I HN 0.268 nan 8.210 nan 0.000 0.393 172 G N 1.488 110.367 108.800 0.133 0.000 2.184 172 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.206 172 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.206 172 G C 0.316 175.273 174.900 0.096 0.000 0.995 172 G CA 0.199 45.382 45.100 0.139 0.000 0.651 172 G HN 0.515 nan 8.290 nan 0.000 0.511 173 S N -0.233 115.523 115.700 0.093 0.000 2.593 173 S HA 0.599 5.069 4.470 -0.000 0.000 0.269 173 S C 0.941 175.253 174.600 -0.479 0.000 1.334 173 S CA 0.357 58.492 58.200 -0.107 0.000 1.015 173 S CB 0.749 63.907 63.200 -0.070 0.000 0.912 173 S HN 0.192 nan 8.310 nan 0.000 0.541 174 K N 1.175 120.995 120.400 -0.967 0.000 2.564 174 K HA 0.470 4.790 4.320 -0.000 0.000 0.201 174 K C -0.590 174.925 176.600 -1.807 0.000 1.086 174 K CA -0.009 55.310 56.287 -1.613 0.000 1.062 174 K CB 0.734 32.826 32.500 -0.681 0.000 0.849 174 K HN 0.597 nan 8.250 nan 0.000 0.529 175 A N 0.688 122.482 122.820 -1.710 0.000 2.608 175 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 175 A C -2.126 175.212 177.584 -0.409 0.000 1.066 175 A CA -0.733 50.771 52.037 -0.888 0.000 0.676 175 A CB 1.260 19.883 19.000 -0.628 0.000 1.277 175 A HN 0.086 nan 8.150 nan 0.000 0.413 176 L N 0.781 121.936 121.223 -0.112 0.000 2.356 176 L HA 0.785 5.125 4.340 -0.000 0.000 0.277 176 L C -0.497 176.403 176.870 0.049 0.000 0.996 176 L CA 0.266 55.146 54.840 0.067 0.000 0.822 176 L CB 2.053 44.203 42.059 0.151 0.000 1.256 176 L HN 0.646 nan 8.230 nan 0.000 0.413 177 T N 4.630 119.268 114.554 0.140 0.000 2.767 177 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 177 T C -0.627 174.178 174.700 0.175 0.000 0.973 177 T CA -0.297 61.942 62.100 0.232 0.000 0.996 177 T CB 1.163 70.213 68.868 0.304 0.000 0.927 177 T HN 0.362 nan 8.240 nan 0.000 0.456 178 V N 4.648 124.679 119.914 0.196 0.000 2.334 178 V HA 0.463 4.583 4.120 -0.000 0.000 0.281 178 V C -0.874 175.375 176.094 0.259 0.000 1.016 178 V CA -0.956 61.453 62.300 0.182 0.000 0.832 178 V CB 0.843 32.746 31.823 0.132 0.000 0.999 178 V HN 0.909 nan 8.190 nan 0.000 0.439 179 W N 8.362 129.729 121.300 0.113 0.000 2.683 179 W HA 0.809 5.469 4.660 -0.000 0.000 0.329 179 W C -0.820 175.775 176.519 0.126 0.000 1.037 179 W CA -0.879 56.523 57.345 0.095 0.000 1.232 179 W CB 1.327 30.824 29.460 0.061 0.000 1.390 179 W HN 0.595 nan 8.180 nan 0.000 0.465 180 I N 2.746 122.741 120.570 -0.957 0.000 3.002 180 I HA 0.815 4.985 4.170 -0.000 0.000 0.310 180 I C 0.780 176.105 176.117 -1.319 0.000 1.087 180 I CA -1.197 59.569 61.300 -0.891 0.000 1.017 180 I CB 2.133 39.929 38.000 -0.340 0.000 1.226 180 I HN 0.640 nan 8.210 nan 0.000 0.443 181 G N 1.102 109.380 108.800 -0.869 0.000 3.042 181 G HA2 0.059 4.019 3.960 -0.000 0.000 0.212 181 G HA3 0.059 4.019 3.960 -0.000 0.000 0.212 181 G C -0.013 174.702 174.900 -0.307 0.000 1.166 181 G CA -0.133 44.613 45.100 -0.590 0.000 0.767 181 G HN 0.732 nan 8.290 nan 0.000 0.546 182 D N 0.911 121.161 120.400 -0.251 0.000 2.752 182 D HA 0.394 5.034 4.640 -0.000 0.000 0.225 182 D C 0.935 177.175 176.300 -0.100 0.000 1.104 182 D CA 1.906 55.837 54.000 -0.115 0.000 0.832 182 D CB 0.701 41.466 40.800 -0.059 0.000 1.161 182 D HN 0.391 nan 8.370 nan 0.000 0.505 183 G N 0.193 108.972 108.800 -0.034 0.000 2.360 183 G HA2 0.506 4.466 3.960 -0.000 0.000 0.276 183 G HA3 0.506 4.466 3.960 -0.000 0.000 0.276 183 G C -1.362 173.580 174.900 0.071 0.000 1.256 183 G CA -0.199 44.898 45.100 -0.005 0.000 0.890 183 G HN 0.747 nan 8.290 nan 0.000 0.486 184 S N -1.266 114.505 115.700 0.119 0.000 2.595 184 S HA 0.661 5.131 4.470 -0.000 0.000 0.281 184 S C -0.278 174.446 174.600 0.206 0.000 1.117 184 S CA -0.715 57.609 58.200 0.207 0.000 0.873 184 S CB 2.255 65.644 63.200 0.315 0.000 1.108 184 S HN 0.418 nan 8.310 nan 0.000 0.477 185 N N -0.491 118.302 118.700 0.156 0.000 2.220 185 N HA 0.418 5.158 4.740 -0.000 0.000 0.195 185 N C -1.413 173.813 175.510 -0.473 0.000 1.123 185 N CA 0.227 53.216 53.050 -0.101 0.000 0.874 185 N CB 0.068 38.419 38.487 -0.227 0.000 0.995 185 N HN 0.589 nan 8.380 nan 0.000 0.498 186 F N -0.073 119.948 119.950 0.118 0.000 2.578 186 F HA 0.456 4.983 4.527 -0.000 0.000 0.311 186 F C -2.269 173.317 175.800 -0.357 0.000 1.094 186 F CA -2.486 55.439 58.000 -0.126 0.000 0.923 186 F CB 1.911 40.872 39.000 -0.064 0.000 1.230 186 F HN -0.303 nan 8.300 nan 0.000 0.450 187 P HA 0.208 nan 4.420 nan 0.000 0.266 187 P C 0.703 177.899 177.300 -0.173 0.000 1.195 187 P CA 1.331 64.082 63.100 -0.583 0.000 0.768 187 P CB 0.745 32.148 31.700 -0.495 0.000 0.838 188 G N 2.116 110.835 108.800 -0.135 0.000 2.320 188 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.242 188 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.242 188 G C 1.325 176.179 174.900 -0.076 0.000 1.033 188 G CA 0.551 45.582 45.100 -0.116 0.000 0.620 188 G HN 0.569 nan 8.290 nan 0.000 0.517 189 Q N 0.645 120.443 119.800 -0.003 0.000 2.112 189 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 189 Q C 0.911 176.910 176.000 -0.002 0.000 0.987 189 Q CA 1.840 57.661 55.803 0.030 0.000 0.858 189 Q CB -0.112 28.722 28.738 0.159 0.000 0.905 189 Q HN 0.566 nan 8.270 nan 0.000 0.420 190 S N 0.616 116.321 115.700 0.008 0.000 2.536 190 S HA 0.294 4.764 4.470 -0.000 0.000 0.298 190 S C -0.832 173.686 174.600 -0.136 0.000 1.083 190 S CA -0.901 57.294 58.200 -0.009 0.000 0.995 190 S CB 1.553 64.815 63.200 0.104 0.000 1.058 190 S HN 0.329 nan 8.310 nan 0.000 0.488 191 N N 1.949 120.598 118.700 -0.085 0.000 2.439 191 N HA 0.148 4.888 4.740 -0.000 0.000 0.249 191 N C 0.335 175.853 175.510 0.014 0.000 1.003 191 N CA -0.301 52.675 53.050 -0.124 0.000 0.942 191 N CB 0.146 38.603 38.487 -0.050 0.000 1.115 191 N HN 0.373 nan 8.380 nan 0.000 0.505 192 F N 2.200 122.175 119.950 0.041 0.000 2.063 192 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 192 F C 2.460 178.294 175.800 0.055 0.000 1.109 192 F CA 1.298 59.310 58.000 0.021 0.000 1.212 192 F CB -1.243 37.749 39.000 -0.012 0.000 0.973 192 F HN 0.428 nan 8.300 nan 0.000 0.480 193 T N 0.049 114.760 114.554 0.261 0.000 2.737 193 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 193 T C 2.103 176.912 174.700 0.182 0.000 1.038 193 T CA 1.415 63.644 62.100 0.214 0.000 1.144 193 T CB -0.248 68.708 68.868 0.147 0.000 0.866 193 T HN 0.182 nan 8.240 nan 0.000 0.434 194 R N 1.086 121.657 120.500 0.120 0.000 2.096 194 R HA 0.026 4.366 4.340 -0.000 0.000 0.235 194 R C 2.813 179.179 176.300 0.110 0.000 1.127 194 R CA 1.264 57.415 56.100 0.085 0.000 0.968 194 R CB -0.501 29.826 30.300 0.046 0.000 0.861 194 R HN 0.358 nan 8.270 nan 0.000 0.440 195 A N 0.959 123.864 122.820 0.142 0.000 1.902 195 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 195 A C 1.932 179.659 177.584 0.238 0.000 1.181 195 A CA 1.086 53.219 52.037 0.159 0.000 0.623 195 A CB -0.574 18.519 19.000 0.155 0.000 0.818 195 A HN 0.321 nan 8.150 nan 0.000 0.443 196 F N 1.110 121.099 119.950 0.065 0.000 2.186 196 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 196 F C 2.116 177.978 175.800 0.103 0.000 1.090 196 F CA 1.713 59.746 58.000 0.055 0.000 1.307 196 F CB -0.520 38.481 39.000 0.003 0.000 1.019 196 F HN 0.395 nan 8.300 nan 0.000 0.489 197 E N -0.198 120.023 120.200 0.035 0.000 2.110 197 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 197 E C 2.315 178.883 176.600 -0.053 0.000 0.988 197 E CA 1.188 57.535 56.400 -0.088 0.000 0.804 197 E CB -0.179 29.507 29.700 -0.022 0.000 0.745 197 E HN 0.429 nan 8.360 nan 0.000 0.458 198 R N -0.155 120.364 120.500 0.031 0.000 2.092 198 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 198 R C 2.311 178.633 176.300 0.038 0.000 1.119 198 R CA 1.274 57.394 56.100 0.033 0.000 0.970 198 R CB -0.377 29.963 30.300 0.068 0.000 0.864 198 R HN 0.281 nan 8.270 nan 0.000 0.440 199 Y N 1.636 121.915 120.300 -0.035 0.000 2.200 199 Y HA -0.154 4.396 4.550 -0.000 0.000 0.290 199 Y C 1.923 177.761 175.900 -0.104 0.000 1.137 199 Y CA 1.378 59.461 58.100 -0.028 0.000 1.163 199 Y CB -0.237 38.267 38.460 0.073 0.000 0.988 199 Y HN -0.082 nan 8.280 nan 0.000 0.518 200 L N -0.846 120.327 121.223 -0.084 0.000 2.083 200 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 200 L C 2.831 179.573 176.870 -0.214 0.000 1.083 200 L CA 1.622 56.332 54.840 -0.218 0.000 0.752 200 L CB -0.818 41.034 42.059 -0.345 0.000 0.899 200 L HN 0.240 nan 8.230 nan 0.000 0.433 201 S N -0.423 115.178 115.700 -0.165 0.000 2.368 201 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 201 S C 2.112 176.631 174.600 -0.135 0.000 1.029 201 S CA 1.166 59.288 58.200 -0.131 0.000 0.988 201 S CB -0.044 63.102 63.200 -0.091 0.000 0.838 201 S HN 0.427 nan 8.310 nan 0.000 0.462 202 A N 1.760 124.485 122.820 -0.159 0.000 1.898 202 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 202 A C 2.251 179.716 177.584 -0.198 0.000 1.181 202 A CA 1.425 53.367 52.037 -0.159 0.000 0.620 202 A CB -0.571 18.334 19.000 -0.158 0.000 0.819 202 A HN 0.532 nan 8.150 nan 0.000 0.442 203 M N -0.302 119.108 119.600 -0.317 0.000 2.213 203 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 203 M C 2.426 178.655 176.300 -0.120 0.000 1.062 203 M CA 1.424 56.556 55.300 -0.279 0.000 1.105 203 M CB -1.304 31.035 32.600 -0.435 0.000 1.385 203 M HN 0.510 nan 8.290 nan 0.000 0.417 204 A N 0.013 122.754 122.820 -0.131 0.000 1.972 204 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 204 A C 2.052 179.623 177.584 -0.022 0.000 1.169 204 A CA 1.476 53.459 52.037 -0.090 0.000 0.635 204 A CB -0.548 18.374 19.000 -0.130 0.000 0.810 204 A HN 0.559 nan 8.150 nan 0.000 0.446 205 E N -0.301 119.869 120.200 -0.051 0.000 2.072 205 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 205 E C 1.851 178.435 176.600 -0.027 0.000 0.985 205 E CA 1.129 57.506 56.400 -0.038 0.000 0.801 205 E CB -0.260 29.407 29.700 -0.055 0.000 0.750 205 E HN 0.703 nan 8.360 nan 0.000 0.452 206 I N 0.363 120.911 120.570 -0.037 0.000 2.286 206 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 206 I C 2.380 178.484 176.117 -0.021 0.000 1.115 206 I CA 0.975 62.247 61.300 -0.047 0.000 1.392 206 I CB -0.268 37.695 38.000 -0.061 0.000 1.065 206 I HN 0.128 nan 8.210 nan 0.000 0.418 207 Y N 2.177 122.419 120.300 -0.096 0.000 2.207 207 Y HA -0.266 4.284 4.550 0.000 0.000 0.287 207 Y C 2.396 178.247 175.900 -0.081 0.000 1.156 207 Y CA 1.660 59.712 58.100 -0.079 0.000 1.182 207 Y CB -0.181 38.236 38.460 -0.073 0.000 0.979 207 Y HN 0.007 nan 8.280 nan 0.000 0.521 208 K N -0.929 119.546 120.400 0.126 0.000 2.280 208 K HA -0.085 4.234 4.320 -0.000 0.000 0.202 208 K C 1.909 178.465 176.600 -0.073 0.000 1.047 208 K CA 0.976 57.290 56.287 0.045 0.000 0.942 208 K CB -0.417 32.097 32.500 0.024 0.000 0.739 208 K HN 0.425 nan 8.250 nan 0.000 0.457 209 G N 0.713 109.441 108.800 -0.120 0.000 3.141 209 G HA2 0.094 4.054 3.960 -0.000 0.000 0.218 209 G HA3 0.094 4.054 3.960 -0.000 0.000 0.218 209 G C 0.213 174.941 174.900 -0.286 0.000 1.170 209 G CA -0.276 44.714 45.100 -0.184 0.000 0.769 209 G HN 0.019 nan 8.290 nan 0.000 0.546 210 L N 1.275 122.317 121.223 -0.302 0.000 2.305 210 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 210 L C -1.984 174.692 176.870 -0.323 0.000 1.085 210 L CA -1.876 52.745 54.840 -0.365 0.000 0.813 210 L CB 1.426 43.264 42.059 -0.368 0.000 1.157 210 L HN -0.095 nan 8.230 nan 0.000 0.436 211 P HA 0.021 nan 4.420 nan 0.000 0.271 211 P C 0.002 177.253 177.300 -0.081 0.000 1.244 211 P CA -0.338 62.613 63.100 -0.249 0.000 0.793 211 P CB 0.595 32.098 31.700 -0.327 0.000 0.984 212 D N 0.201 120.579 120.400 -0.036 0.000 2.219 212 D HA -0.129 4.511 4.640 -0.000 0.000 0.205 212 D C 0.725 177.048 176.300 0.038 0.000 0.970 212 D CA 1.314 55.310 54.000 -0.006 0.000 0.851 212 D CB -0.251 40.549 40.800 -0.001 0.000 0.943 212 D HN 0.534 nan 8.370 nan 0.000 0.488 213 D N -1.345 119.114 120.400 0.099 0.000 2.427 213 D HA -0.033 4.607 4.640 -0.000 0.000 0.224 213 D C -0.055 176.329 176.300 0.140 0.000 1.157 213 D CA -0.467 53.594 54.000 0.100 0.000 0.828 213 D CB -0.545 40.306 40.800 0.085 0.000 0.974 213 D HN 0.034 nan 8.370 nan 0.000 0.498 214 W N 1.197 122.415 121.300 -0.137 0.000 2.578 214 W HA 0.488 5.148 4.660 -0.000 0.000 0.353 214 W C 0.380 176.751 176.519 -0.246 0.000 1.088 214 W CA -0.672 56.563 57.345 -0.183 0.000 1.235 214 W CB 1.438 30.779 29.460 -0.198 0.000 1.362 214 W HN -0.391 nan 8.180 nan 0.000 0.592 215 K N 1.887 122.170 120.400 -0.195 0.000 2.385 215 K HA 0.622 4.942 4.320 -0.000 0.000 0.248 215 K C -1.709 174.574 176.600 -0.528 0.000 0.955 215 K CA -1.335 54.721 56.287 -0.385 0.000 0.816 215 K CB 2.389 34.555 32.500 -0.556 0.000 1.250 215 K HN 0.227 nan 8.250 nan 0.000 0.434 216 L N 2.894 123.872 121.223 -0.409 0.000 2.319 216 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 216 L C -1.704 175.072 176.870 -0.158 0.000 1.005 216 L CA -0.270 54.419 54.840 -0.251 0.000 0.828 216 L CB 0.475 42.502 42.059 -0.053 0.000 1.227 216 L HN 0.370 nan 8.230 nan 0.000 0.415 217 F N 3.002 122.987 119.950 0.058 0.000 2.411 217 F HA 0.571 5.098 4.527 -0.000 0.000 0.352 217 F C 0.543 176.390 175.800 0.078 0.000 1.123 217 F CA -0.865 57.163 58.000 0.047 0.000 1.044 217 F CB 1.607 40.608 39.000 0.001 0.000 1.135 217 F HN 0.536 nan 8.300 nan 0.000 0.461 218 S N 1.636 117.519 115.700 0.306 0.000 2.489 218 S HA 0.534 5.004 4.470 -0.000 0.000 0.291 218 S C -0.628 174.102 174.600 0.215 0.000 1.151 218 S CA -0.866 57.495 58.200 0.268 0.000 1.082 218 S CB 1.898 65.278 63.200 0.301 0.000 1.019 218 S HN 0.695 nan 8.310 nan 0.000 0.492 219 E N 2.815 123.141 120.200 0.209 0.000 2.155 219 E HA 0.210 4.560 4.350 -0.000 0.000 0.264 219 E C -0.289 176.442 176.600 0.218 0.000 0.886 219 E CA -0.783 55.694 56.400 0.128 0.000 0.752 219 E CB 0.610 30.358 29.700 0.079 0.000 1.133 219 E HN 0.920 nan 8.360 nan 0.000 0.414 220 H N 3.235 122.397 119.070 0.154 0.000 2.547 220 H HA 0.508 5.064 4.556 -0.000 0.000 0.362 220 H C -0.878 174.548 175.328 0.163 0.000 1.181 220 H CA -0.697 55.420 56.048 0.115 0.000 1.376 220 H CB 1.352 31.149 29.762 0.057 0.000 1.488 220 H HN 0.398 nan 8.280 nan 0.000 0.583 221 K N 2.824 123.310 120.400 0.144 0.000 2.571 221 K HA 0.101 4.421 4.320 -0.000 0.000 0.252 221 K C 0.700 177.275 176.600 -0.042 0.000 0.956 221 K CA -0.588 55.658 56.287 -0.068 0.000 0.822 221 K CB 2.492 34.867 32.500 -0.208 0.000 1.286 221 K HN 0.711 nan 8.250 nan 0.000 0.439 222 M N 3.465 123.050 119.600 -0.025 0.000 2.149 222 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 222 M C -0.490 175.902 176.300 0.154 0.000 1.064 222 M CA 1.703 57.056 55.300 0.087 0.000 1.102 222 M CB 0.105 32.840 32.600 0.224 0.000 1.369 222 M HN 0.616 nan 8.290 nan 0.000 0.408 223 Y N -2.511 117.737 120.300 -0.087 0.000 2.741 223 Y HA 0.494 5.044 4.550 -0.000 0.000 0.339 223 Y C -1.138 174.680 175.900 -0.138 0.000 1.226 223 Y CA -1.723 56.313 58.100 -0.106 0.000 1.072 223 Y CB 0.215 38.672 38.460 -0.005 0.000 1.331 223 Y HN 0.314 nan 8.280 nan 0.000 0.453 224 E N 1.705 121.739 120.200 -0.276 0.000 7.504 224 E HA -0.114 4.236 4.350 -0.000 0.000 0.337 224 E C -2.369 174.105 176.600 -0.211 0.000 0.701 224 E CA 0.479 56.637 56.400 -0.403 0.000 1.302 224 E CB 0.197 29.783 29.700 -0.191 0.000 0.927 224 E HN 0.659 nan 8.360 nan 0.000 0.263 225 P HA -0.008 nan 4.420 nan 0.000 0.237 225 P C 0.161 176.972 177.300 -0.815 0.000 1.178 225 P CA 1.084 63.932 63.100 -0.420 0.000 0.766 225 P CB 0.219 31.843 31.700 -0.127 0.000 0.876 226 A N -0.209 122.257 122.820 -0.589 0.000 2.320 226 A HA 0.437 4.757 4.320 -0.000 0.000 0.287 226 A C -0.069 177.200 177.584 -0.524 0.000 1.181 226 A CA -0.413 51.355 52.037 -0.449 0.000 0.831 226 A CB -0.233 18.652 19.000 -0.191 0.000 1.102 226 A HN -0.045 nan 8.150 nan 0.000 0.513 227 F N 1.158 121.147 119.950 0.065 0.000 2.653 227 F HA 0.199 4.726 4.527 -0.000 0.000 0.304 227 F C 0.924 176.755 175.800 0.051 0.000 1.092 227 F CA 0.129 58.163 58.000 0.055 0.000 1.279 227 F CB -0.063 38.943 39.000 0.011 0.000 1.044 227 F HN 0.805 nan 8.300 nan 0.000 0.564 228 Y N -0.077 120.255 120.300 0.054 0.000 2.817 228 Y HA 0.358 4.908 4.550 -0.000 0.000 0.257 228 Y C 0.585 176.516 175.900 0.053 0.000 1.055 228 Y CA 0.292 58.417 58.100 0.042 0.000 1.319 228 Y CB 0.193 38.671 38.460 0.031 0.000 1.481 228 Y HN -0.148 nan 8.280 nan 0.000 0.471 229 S N -0.111 115.446 115.700 -0.237 0.000 2.569 229 S HA 0.755 5.225 4.470 -0.000 0.000 0.280 229 S C -1.068 173.447 174.600 -0.142 0.000 1.111 229 S CA -0.388 57.622 58.200 -0.315 0.000 0.887 229 S CB 2.167 65.242 63.200 -0.207 0.000 1.095 229 S HN 0.124 nan 8.310 nan 0.000 0.476 230 T N 2.270 116.707 114.554 -0.196 0.000 2.881 230 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 230 T C 1.225 175.795 174.700 -0.216 0.000 1.000 230 T CA -0.625 61.376 62.100 -0.164 0.000 0.978 230 T CB 1.612 70.394 68.868 -0.143 0.000 0.997 230 T HN 0.526 nan 8.240 nan 0.000 0.443 231 V N 2.851 122.649 119.914 -0.193 0.000 2.255 231 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 231 V C 1.313 177.170 176.094 -0.394 0.000 1.051 231 V CA 1.476 63.624 62.300 -0.253 0.000 1.018 231 V CB -0.266 31.444 31.823 -0.189 0.000 0.641 231 V HN 0.723 nan 8.190 nan 0.000 0.445 232 V N 3.104 122.811 119.914 -0.345 0.000 2.154 232 V HA 0.130 4.250 4.120 -0.000 0.000 0.265 232 V C 1.336 177.347 176.094 -0.138 0.000 1.293 232 V CA -0.018 62.111 62.300 -0.285 0.000 1.205 232 V CB 0.510 32.200 31.823 -0.221 0.000 1.306 232 V HN 0.629 nan 8.190 nan 0.000 0.479 233 Q N 1.985 121.668 119.800 -0.195 0.000 2.212 233 Q HA -0.025 4.315 4.340 -0.000 0.000 0.199 233 Q C 0.195 176.181 176.000 -0.022 0.000 0.950 233 Q CA 1.562 57.294 55.803 -0.117 0.000 0.863 233 Q CB 0.413 29.031 28.738 -0.200 0.000 0.944 233 Q HN 0.770 nan 8.270 nan 0.000 0.465 234 D N -2.014 118.325 120.400 -0.102 0.000 2.664 234 D HA 0.043 4.683 4.640 -0.000 0.000 0.292 234 D C 0.890 176.887 176.300 -0.505 0.000 1.214 234 D CA -0.511 53.395 54.000 -0.157 0.000 0.932 234 D CB -0.863 39.882 40.800 -0.092 0.000 1.420 234 D HN 0.137 nan 8.370 nan 0.000 0.471 235 W N 0.616 121.410 121.300 -0.843 0.000 2.421 235 W HA 0.092 4.752 4.660 0.000 0.000 0.270 235 W C 1.051 177.426 176.519 -0.241 0.000 1.233 235 W CA 1.142 58.087 57.345 -0.668 0.000 1.226 235 W CB -1.360 27.872 29.460 -0.380 0.000 1.121 235 W HN 0.448 nan 8.180 nan 0.000 0.579 236 G N 1.599 109.750 108.800 -1.083 0.000 2.433 236 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 236 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 236 G C 1.512 176.134 174.900 -0.463 0.000 1.186 236 G CA 2.219 46.719 45.100 -1.000 0.000 0.779 236 G HN 0.287 nan 8.290 nan 0.000 0.543 237 T N 0.988 115.303 114.554 -0.398 0.000 2.788 237 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 237 T C 2.349 176.970 174.700 -0.132 0.000 1.044 237 T CA 1.294 63.191 62.100 -0.338 0.000 1.139 237 T CB -0.284 68.280 68.868 -0.506 0.000 0.867 237 T HN 0.223 nan 8.240 nan 0.000 0.454 238 N N 0.456 119.098 118.700 -0.097 0.000 2.069 238 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 238 N C 1.593 177.159 175.510 0.093 0.000 1.031 238 N CA 1.250 54.341 53.050 0.069 0.000 0.852 238 N CB -0.516 38.071 38.487 0.168 0.000 1.018 238 N HN 0.483 nan 8.380 nan 0.000 0.423 239 Y N 1.317 121.589 120.300 -0.047 0.000 2.128 239 Y HA -0.122 4.428 4.550 -0.000 0.000 0.284 239 Y C 2.212 178.110 175.900 -0.004 0.000 1.154 239 Y CA 1.520 59.606 58.100 -0.023 0.000 1.149 239 Y CB -0.527 37.838 38.460 -0.160 0.000 0.976 239 Y HN 0.062 nan 8.280 nan 0.000 0.505 240 L N -0.465 120.718 121.223 -0.067 0.000 2.079 240 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 240 L C 2.428 179.282 176.870 -0.025 0.000 1.081 240 L CA 1.565 56.378 54.840 -0.046 0.000 0.752 240 L CB -0.607 41.536 42.059 0.139 0.000 0.896 240 L HN 0.305 nan 8.230 nan 0.000 0.433 241 I N -0.219 120.410 120.570 0.098 0.000 2.113 241 I HA -0.290 3.880 4.170 -0.000 0.000 0.238 241 I C 2.842 178.962 176.117 0.006 0.000 1.070 241 I CA 1.286 62.664 61.300 0.131 0.000 1.332 241 I CB -0.511 37.662 38.000 0.288 0.000 1.044 241 I HN 0.190 nan 8.210 nan 0.000 0.402 242 A N -0.010 122.796 122.820 -0.022 0.000 1.908 242 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 242 A C 2.235 179.736 177.584 -0.138 0.000 1.181 242 A CA 2.066 54.082 52.037 -0.035 0.000 0.627 242 A CB -0.690 18.312 19.000 0.004 0.000 0.818 242 A HN 0.417 nan 8.150 nan 0.000 0.445 243 Q N -0.567 119.033 119.800 -0.334 0.000 2.167 243 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 243 Q C 2.025 177.917 176.000 -0.180 0.000 0.970 243 Q CA 2.297 57.915 55.803 -0.310 0.000 0.855 243 Q CB -0.735 27.681 28.738 -0.538 0.000 0.911 243 Q HN 0.618 nan 8.270 nan 0.000 0.438 244 T N 0.311 114.763 114.554 -0.170 0.000 2.812 244 T HA 0.008 4.358 4.350 -0.000 0.000 0.264 244 T C 1.672 176.251 174.700 -0.201 0.000 1.042 244 T CA 0.972 62.980 62.100 -0.153 0.000 1.140 244 T CB -0.117 68.666 68.868 -0.142 0.000 0.870 244 T HN 0.197 nan 8.240 nan 0.000 0.445 245 L N 0.185 121.280 121.223 -0.213 0.000 2.027 245 L HA 0.218 4.558 4.340 -0.000 0.000 0.206 245 L C 1.519 177.999 176.870 -0.649 0.000 1.074 245 L CA 0.902 55.509 54.840 -0.388 0.000 0.745 245 L CB -0.646 41.292 42.059 -0.201 0.000 0.898 245 L HN 0.512 nan 8.230 nan 0.000 0.433 246 G N -2.477 106.149 108.800 -0.290 0.000 2.369 246 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.307 246 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.307 246 G C -2.616 172.357 174.900 0.122 0.000 1.327 246 G CA -0.562 44.451 45.100 -0.145 0.000 0.963 246 G HN -0.256 nan 8.290 nan 0.000 0.590 247 P HA -0.029 nan 4.420 nan 0.000 0.217 247 P C 1.498 178.903 177.300 0.175 0.000 1.148 247 P CA 1.483 64.677 63.100 0.156 0.000 0.828 247 P CB 0.090 31.869 31.700 0.132 0.000 0.783 248 K N -1.219 119.324 120.400 0.239 0.000 2.459 248 K HA 0.224 4.544 4.320 -0.000 0.000 0.193 248 K C 0.664 177.328 176.600 0.106 0.000 1.030 248 K CA -0.076 56.263 56.287 0.086 0.000 1.026 248 K CB 0.145 32.559 32.500 -0.143 0.000 0.809 248 K HN 0.064 nan 8.250 nan 0.000 0.504 249 A N 1.795 124.775 122.820 0.267 0.000 2.260 249 A HA 0.320 4.640 4.320 -0.000 0.000 0.308 249 A C -0.492 177.210 177.584 0.196 0.000 1.254 249 A CA -0.423 51.748 52.037 0.223 0.000 0.874 249 A CB 0.541 19.700 19.000 0.266 0.000 1.153 249 A HN 0.107 nan 8.150 nan 0.000 0.527 250 Q N 0.430 120.389 119.800 0.265 0.000 2.605 250 Q HA 0.510 4.850 4.340 -0.000 0.000 0.296 250 Q C -1.318 174.866 176.000 0.307 0.000 1.056 250 Q CA -0.836 55.145 55.803 0.297 0.000 0.778 250 Q CB 2.205 31.154 28.738 0.352 0.000 1.497 250 Q HN 0.769 nan 8.270 nan 0.000 0.443 251 C N 1.200 120.610 119.300 0.183 0.000 2.358 251 C HA 0.597 5.057 4.460 -0.000 0.000 0.342 251 C C -0.179 174.762 174.990 -0.081 0.000 1.234 251 C CA -0.711 58.385 59.018 0.130 0.000 1.969 251 C CB -0.215 27.645 27.740 0.201 0.000 2.346 251 C HN 0.554 nan 8.230 nan 0.000 0.525 252 L N 2.802 123.954 121.223 -0.118 0.000 2.307 252 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 252 L C -0.617 176.060 176.870 -0.322 0.000 1.023 252 L CA -0.372 54.248 54.840 -0.367 0.000 0.810 252 L CB 1.509 43.297 42.059 -0.453 0.000 1.231 252 L HN 0.455 nan 8.230 nan 0.000 0.423 253 V N 2.503 122.175 119.914 -0.402 0.000 2.328 253 V HA 0.216 4.336 4.120 -0.000 0.000 0.278 253 V C -0.185 175.774 176.094 -0.224 0.000 1.021 253 V CA -0.579 61.580 62.300 -0.234 0.000 0.838 253 V CB 1.481 33.212 31.823 -0.155 0.000 0.999 253 V HN 0.617 nan 8.190 nan 0.000 0.447 254 D N 4.735 124.925 120.400 -0.349 0.000 2.329 254 D HA 0.153 4.793 4.640 -0.000 0.000 0.232 254 D C 1.038 177.220 176.300 -0.197 0.000 1.088 254 D CA -0.523 53.232 54.000 -0.408 0.000 0.835 254 D CB 1.736 41.897 40.800 -1.065 0.000 1.078 254 D HN 0.402 nan 8.370 nan 0.000 0.495 255 L N 4.352 125.558 121.223 -0.029 0.000 2.010 255 L HA -0.166 4.174 4.340 -0.000 0.000 0.219 255 L C 1.500 178.478 176.870 0.181 0.000 1.077 255 L CA 2.617 57.522 54.840 0.109 0.000 0.773 255 L CB -1.145 40.958 42.059 0.074 0.000 0.892 255 L HN 0.582 nan 8.230 nan 0.000 0.436 256 G N -2.111 106.733 108.800 0.073 0.000 3.124 256 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.212 256 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.212 256 G C 0.899 175.908 174.900 0.183 0.000 1.181 256 G CA -0.081 45.101 45.100 0.136 0.000 0.803 256 G HN 0.717 nan 8.290 nan 0.000 0.529 257 H N -0.223 118.739 119.070 -0.179 0.000 2.537 257 H HA 0.173 4.729 4.556 -0.000 0.000 0.295 257 H C 0.015 175.093 175.328 -0.416 0.000 1.054 257 H CA -0.474 55.365 56.048 -0.349 0.000 1.156 257 H CB 0.373 29.856 29.762 -0.466 0.000 1.468 257 H HN 0.357 nan 8.280 nan 0.000 0.551 258 H N -0.067 119.121 119.070 0.196 0.000 2.616 258 H HA 0.435 4.991 4.556 -0.000 0.000 0.353 258 H C 0.100 175.535 175.328 0.178 0.000 1.170 258 H CA -0.825 55.339 56.048 0.192 0.000 1.212 258 H CB 1.535 31.394 29.762 0.161 0.000 1.653 258 H HN 0.223 nan 8.280 nan 0.000 0.537 259 A N 2.269 125.260 122.820 0.284 0.000 2.448 259 A HA 0.216 4.536 4.320 -0.000 0.000 0.239 259 A C -2.137 175.552 177.584 0.176 0.000 1.080 259 A CA -0.991 51.170 52.037 0.207 0.000 0.779 259 A CB -0.676 18.412 19.000 0.148 0.000 1.026 259 A HN 0.407 nan 8.150 nan 0.000 0.499 260 P HA 0.053 nan 4.420 nan 0.000 0.264 260 P C 0.014 177.363 177.300 0.081 0.000 1.183 260 P CA 0.625 63.790 63.100 0.108 0.000 0.763 260 P CB 0.214 31.969 31.700 0.092 0.000 0.807 261 N N -1.349 117.389 118.700 0.062 0.000 2.900 261 N HA -0.140 4.600 4.740 -0.000 0.000 0.240 261 N C -0.382 175.147 175.510 0.031 0.000 0.953 261 N CA 1.204 54.277 53.050 0.039 0.000 0.950 261 N CB -2.375 36.133 38.487 0.034 0.000 1.102 261 N HN 0.386 nan 8.380 nan 0.000 0.593 262 T N 1.671 116.254 114.554 0.048 0.000 2.946 262 T HA -0.035 4.315 4.350 -0.000 0.000 0.311 262 T C 0.805 175.479 174.700 -0.045 0.000 1.063 262 T CA -0.055 62.058 62.100 0.023 0.000 1.139 262 T CB 0.538 69.445 68.868 0.064 0.000 0.994 262 T HN 0.153 nan 8.240 nan 0.000 0.547 263 N N 3.177 121.835 118.700 -0.072 0.000 2.555 263 N HA 0.115 4.855 4.740 -0.000 0.000 0.244 263 N C 1.036 176.429 175.510 -0.193 0.000 1.114 263 N CA -0.163 52.821 53.050 -0.109 0.000 0.963 263 N CB 0.005 38.438 38.487 -0.090 0.000 1.276 263 N HN 0.558 nan 8.380 nan 0.000 0.510 264 I N 1.823 122.257 120.570 -0.227 0.000 2.315 264 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 264 I C 2.219 178.190 176.117 -0.244 0.000 1.117 264 I CA 0.775 61.877 61.300 -0.330 0.000 1.404 264 I CB -0.016 37.794 38.000 -0.318 0.000 1.071 264 I HN 0.528 nan 8.210 nan 0.000 0.419 265 E N 1.478 121.567 120.200 -0.185 0.000 2.204 265 E HA -0.296 4.054 4.350 -0.000 0.000 0.195 265 E C 2.078 178.576 176.600 -0.170 0.000 0.990 265 E CA 1.352 57.657 56.400 -0.158 0.000 0.821 265 E CB -0.630 28.971 29.700 -0.166 0.000 0.750 265 E HN 0.580 nan 8.360 nan 0.000 0.477 266 M N 0.843 120.320 119.600 -0.205 0.000 2.156 266 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 266 M C 2.285 178.367 176.300 -0.363 0.000 1.067 266 M CA 1.225 56.390 55.300 -0.225 0.000 1.131 266 M CB -0.050 32.433 32.600 -0.196 0.000 1.368 266 M HN 0.007 nan 8.290 nan 0.000 0.416 267 I N -0.236 120.028 120.570 -0.511 0.000 2.208 267 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 267 I C 2.235 178.055 176.117 -0.495 0.000 1.097 267 I CA 1.162 61.954 61.300 -0.848 0.000 1.363 267 I CB -0.547 36.968 38.000 -0.807 0.000 1.051 267 I HN 0.170 nan 8.210 nan 0.000 0.413 268 V N 1.098 120.865 119.914 -0.244 0.000 2.287 268 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 268 V C 2.738 178.802 176.094 -0.050 0.000 1.053 268 V CA 2.163 64.423 62.300 -0.066 0.000 1.027 268 V CB -1.063 30.831 31.823 0.117 0.000 0.646 268 V HN 0.525 nan 8.190 nan 0.000 0.447 269 A N -0.346 122.423 122.820 -0.085 0.000 1.902 269 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 269 A C 2.363 179.932 177.584 -0.026 0.000 1.181 269 A CA 1.505 53.514 52.037 -0.047 0.000 0.623 269 A CB -0.444 18.515 19.000 -0.069 0.000 0.818 269 A HN 0.416 nan 8.150 nan 0.000 0.443 270 R N -0.409 120.020 120.500 -0.118 0.000 2.073 270 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 270 R C 2.126 178.511 176.300 0.142 0.000 1.134 270 R CA 1.283 57.367 56.100 -0.026 0.000 0.952 270 R CB -1.019 29.081 30.300 -0.333 0.000 0.850 270 R HN 0.582 nan 8.270 nan 0.000 0.433 271 L N 0.437 121.683 121.223 0.037 0.000 2.083 271 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 271 L C 2.499 179.500 176.870 0.217 0.000 1.083 271 L CA 1.153 56.104 54.840 0.186 0.000 0.752 271 L CB -0.415 41.704 42.059 0.100 0.000 0.899 271 L HN 0.129 nan 8.230 nan 0.000 0.433 272 I N -0.499 120.166 120.570 0.158 0.000 2.179 272 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 272 I C 2.723 178.930 176.117 0.150 0.000 1.088 272 I CA 1.385 62.797 61.300 0.187 0.000 1.357 272 I CB -0.330 37.775 38.000 0.174 0.000 1.051 272 I HN 0.396 nan 8.210 nan 0.000 0.409 273 Q N 0.967 120.840 119.800 0.122 0.000 2.152 273 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 273 Q C 1.481 177.404 176.000 -0.129 0.000 0.985 273 Q CA 1.921 57.722 55.803 -0.002 0.000 0.863 273 Q CB -0.042 28.706 28.738 0.017 0.000 0.904 273 Q HN 0.489 nan 8.270 nan 0.000 0.422 274 F N -0.693 119.317 119.950 0.100 0.000 2.639 274 F HA 0.335 4.862 4.527 -0.000 0.000 0.300 274 F C 1.177 177.094 175.800 0.195 0.000 1.109 274 F CA 0.252 58.343 58.000 0.151 0.000 1.335 274 F CB 0.877 39.977 39.000 0.168 0.000 1.014 274 F HN 0.210 nan 8.300 nan 0.000 0.537 275 G N 0.920 109.874 108.800 0.257 0.000 2.283 275 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.280 275 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.280 275 G C 0.904 175.944 174.900 0.233 0.000 1.029 275 G CA 0.181 45.410 45.100 0.216 0.000 0.840 275 G HN 0.247 nan 8.290 nan 0.000 0.505 276 K N -0.865 119.699 120.400 0.274 0.000 2.564 276 K HA 0.269 4.589 4.320 -0.000 0.000 0.205 276 K C 0.467 177.164 176.600 0.163 0.000 1.053 276 K CA -0.559 55.874 56.287 0.245 0.000 1.072 276 K CB 0.671 33.373 32.500 0.337 0.000 0.822 276 K HN 0.387 nan 8.250 nan 0.000 0.497 277 L N 1.187 122.464 121.223 0.091 0.000 2.334 277 L HA 0.286 4.626 4.340 -0.000 0.000 0.286 277 L C 1.171 177.943 176.870 -0.164 0.000 1.108 277 L CA 0.221 55.022 54.840 -0.065 0.000 0.875 277 L CB 0.631 42.647 42.059 -0.072 0.000 1.246 277 L HN 0.229 nan 8.230 nan 0.000 0.439 278 G N 2.955 111.627 108.800 -0.214 0.000 2.408 278 G HA2 0.374 4.334 3.960 -0.000 0.000 0.217 278 G HA3 0.374 4.334 3.960 -0.000 0.000 0.217 278 G C 0.607 175.043 174.900 -0.774 0.000 1.150 278 G CA 0.691 45.556 45.100 -0.391 0.000 0.776 278 G HN 1.015 nan 8.290 nan 0.000 0.542 279 G N -2.053 106.291 108.800 -0.760 0.000 2.317 279 G HA2 0.425 4.385 3.960 -0.000 0.000 0.293 279 G HA3 0.425 4.385 3.960 -0.000 0.000 0.293 279 G C -1.737 172.746 174.900 -0.695 0.000 1.287 279 G CA -1.049 43.683 45.100 -0.614 0.000 0.850 279 G HN 0.057 nan 8.290 nan 0.000 0.515 280 F N -0.374 119.471 119.950 -0.175 0.000 2.575 280 F HA 0.681 5.208 4.527 -0.000 0.000 0.330 280 F C 0.410 176.082 175.800 -0.212 0.000 1.056 280 F CA -0.487 57.277 58.000 -0.393 0.000 0.964 280 F CB 2.411 40.833 39.000 -0.964 0.000 1.258 280 F HN 0.371 nan 8.300 nan 0.000 0.484 281 H N 1.727 120.639 119.070 -0.264 0.000 2.854 281 H HA 0.280 4.836 4.556 -0.000 0.000 0.275 281 H C -1.195 174.010 175.328 -0.206 0.000 1.198 281 H CA -0.690 55.257 56.048 -0.169 0.000 1.489 281 H CB 0.787 30.436 29.762 -0.188 0.000 1.519 281 H HN 0.318 nan 8.280 nan 0.000 0.503 282 F N 3.135 123.154 119.950 0.116 0.000 2.429 282 F HA 0.118 4.645 4.527 0.000 0.000 0.348 282 F C 0.722 176.538 175.800 0.027 0.000 1.109 282 F CA 0.101 58.131 58.000 0.050 0.000 1.232 282 F CB 0.761 39.787 39.000 0.044 0.000 1.157 282 F HN 0.701 nan 8.300 nan 0.000 0.564 283 N N -0.574 118.267 118.700 0.235 0.000 3.608 283 N HA 0.295 5.035 4.740 -0.000 0.000 0.252 283 N C -2.244 173.341 175.510 0.126 0.000 1.392 283 N CA -0.996 52.138 53.050 0.139 0.000 0.822 283 N CB 0.824 39.355 38.487 0.074 0.000 1.508 283 N HN 0.319 nan 8.380 nan 0.000 0.434 284 D N -1.593 118.865 120.400 0.096 0.000 2.531 284 D HA 0.819 5.459 4.640 -0.000 0.000 0.244 284 D C -1.297 175.048 176.300 0.075 0.000 1.090 284 D CA -0.056 53.996 54.000 0.087 0.000 0.989 284 D CB 2.124 42.972 40.800 0.082 0.000 1.433 284 D HN 0.826 nan 8.370 nan 0.000 0.492 285 S N -0.111 115.627 115.700 0.063 0.000 2.587 285 S HA 0.418 4.888 4.470 -0.000 0.000 0.269 285 S C -0.072 174.527 174.600 -0.003 0.000 1.154 285 S CA -0.774 57.461 58.200 0.058 0.000 0.824 285 S CB 2.446 65.697 63.200 0.085 0.000 1.118 285 S HN 0.474 nan 8.310 nan 0.000 0.462 286 K N -0.837 119.520 120.400 -0.072 0.000 2.504 286 K HA 0.326 4.646 4.320 -0.000 0.000 0.203 286 K C 0.178 176.503 176.600 -0.458 0.000 1.350 286 K CA 0.007 56.100 56.287 -0.323 0.000 0.953 286 K CB 0.163 32.330 32.500 -0.555 0.000 1.243 286 K HN 0.677 nan 8.250 nan 0.000 0.534 287 Y N -0.658 119.700 120.300 0.097 0.000 2.576 287 Y HA 0.398 4.947 4.550 -0.000 0.000 0.282 287 Y C 1.433 177.426 175.900 0.155 0.000 1.139 287 Y CA 0.339 58.506 58.100 0.112 0.000 1.265 287 Y CB 0.518 39.041 38.460 0.105 0.000 1.376 287 Y HN 0.120 nan 8.280 nan 0.000 0.511 288 G N -1.007 107.983 108.800 0.317 0.000 3.187 288 G HA2 0.148 4.108 3.960 -0.000 0.000 0.175 288 G HA3 0.148 4.108 3.960 -0.000 0.000 0.175 288 G C -1.312 173.671 174.900 0.139 0.000 1.112 288 G CA -0.314 44.947 45.100 0.268 0.000 0.821 288 G HN -0.072 nan 8.290 nan 0.000 0.636 289 D N 0.815 121.230 120.400 0.025 0.000 2.688 289 D HA 0.227 4.866 4.640 -0.000 0.000 0.228 289 D C 0.570 176.898 176.300 0.046 0.000 1.116 289 D CA -0.290 53.713 54.000 0.006 0.000 1.023 289 D CB -0.037 40.670 40.800 -0.156 0.000 1.100 289 D HN 0.154 nan 8.370 nan 0.000 0.487 290 D N 0.904 121.361 120.400 0.096 0.000 2.264 290 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 290 D C 0.297 176.638 176.300 0.067 0.000 0.966 290 D CA 0.518 54.582 54.000 0.107 0.000 0.864 290 D CB -0.014 40.874 40.800 0.147 0.000 0.933 290 D HN 0.397 nan 8.370 nan 0.000 0.499 291 D N -0.118 120.312 120.400 0.051 0.000 2.708 291 D HA -0.178 4.462 4.640 -0.000 0.000 0.236 291 D C 0.015 176.319 176.300 0.006 0.000 1.146 291 D CA 0.364 54.375 54.000 0.020 0.000 0.662 291 D CB -1.314 39.483 40.800 -0.005 0.000 1.059 291 D HN 0.325 nan 8.370 nan 0.000 0.428 292 L N 0.014 121.263 121.223 0.044 0.000 2.468 292 L HA 0.224 4.564 4.340 -0.000 0.000 0.254 292 L C 0.959 177.872 176.870 0.071 0.000 1.171 292 L CA -0.676 54.198 54.840 0.057 0.000 0.809 292 L CB 0.414 42.519 42.059 0.077 0.000 1.155 292 L HN -0.190 nan 8.230 nan 0.000 0.473 293 D N 1.318 121.777 120.400 0.097 0.000 2.531 293 D HA 0.187 4.827 4.640 -0.000 0.000 0.239 293 D C 0.183 176.537 176.300 0.091 0.000 1.144 293 D CA 0.256 54.324 54.000 0.113 0.000 0.869 293 D CB 0.634 41.498 40.800 0.105 0.000 1.160 293 D HN 0.585 nan 8.370 nan 0.000 0.484 294 A N 2.295 125.173 122.820 0.096 0.000 2.584 294 A HA 0.404 4.724 4.320 -0.000 0.000 0.239 294 A C 1.682 179.307 177.584 0.069 0.000 1.043 294 A CA 0.490 52.584 52.037 0.095 0.000 0.756 294 A CB -0.369 18.681 19.000 0.084 0.000 0.963 294 A HN 1.022 nan 8.150 nan 0.000 0.511 295 G N 0.913 109.763 108.800 0.083 0.000 2.175 295 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.265 295 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.265 295 G C 1.082 176.024 174.900 0.070 0.000 0.979 295 G CA 1.195 46.344 45.100 0.080 0.000 0.663 295 G HN 2.078 nan 8.290 nan 0.000 0.533 296 A N -0.683 122.176 122.820 0.064 0.000 2.067 296 A HA 0.456 4.776 4.320 -0.000 0.000 0.217 296 A C 2.181 179.797 177.584 0.054 0.000 1.156 296 A CA 1.801 53.872 52.037 0.056 0.000 0.683 296 A CB -0.120 18.916 19.000 0.059 0.000 0.808 296 A HN 0.516 nan 8.150 nan 0.000 0.455 297 I N -1.556 119.048 120.570 0.055 0.000 3.443 297 I HA 0.154 4.324 4.170 -0.000 0.000 0.277 297 I C 0.268 176.413 176.117 0.047 0.000 1.169 297 I CA 0.737 62.061 61.300 0.041 0.000 1.419 297 I CB -0.683 37.331 38.000 0.023 0.000 1.331 297 I HN 0.214 nan 8.210 nan 0.000 0.458 298 E N 2.480 122.718 120.200 0.063 0.000 2.873 298 E HA 0.194 4.544 4.350 -0.000 0.000 0.232 298 E C -1.801 174.867 176.600 0.114 0.000 1.123 298 E CA -1.411 55.037 56.400 0.079 0.000 0.809 298 E CB 1.827 31.561 29.700 0.057 0.000 1.366 298 E HN 0.118 nan 8.360 nan 0.000 0.400 299 P HA -0.201 nan 4.420 nan 0.000 0.218 299 P C 1.191 178.650 177.300 0.264 0.000 1.149 299 P CA 0.902 64.133 63.100 0.219 0.000 0.817 299 P CB 0.261 32.112 31.700 0.253 0.000 0.785 300 Y N 1.978 122.259 120.300 -0.032 0.000 2.200 300 Y HA -0.117 4.433 4.550 -0.000 0.000 0.290 300 Y C 2.890 178.743 175.900 -0.079 0.000 1.137 300 Y CA 1.258 59.149 58.100 -0.348 0.000 1.163 300 Y CB -0.883 37.303 38.460 -0.456 0.000 0.988 300 Y HN -0.215 nan 8.280 nan 0.000 0.518 301 R N -0.301 120.185 120.500 -0.023 0.000 2.091 301 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 301 R C 2.188 178.457 176.300 -0.052 0.000 1.136 301 R CA 1.716 57.764 56.100 -0.087 0.000 0.959 301 R CB -0.657 29.631 30.300 -0.020 0.000 0.856 301 R HN 0.418 nan 8.270 nan 0.000 0.437 302 L N 0.442 121.699 121.223 0.056 0.000 2.046 302 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 302 L C 2.013 178.984 176.870 0.169 0.000 1.077 302 L CA 1.709 56.623 54.840 0.124 0.000 0.747 302 L CB -0.787 41.371 42.059 0.166 0.000 0.896 302 L HN 0.265 nan 8.230 nan 0.000 0.432 303 F N -0.331 119.625 119.950 0.010 0.000 2.102 303 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 303 F C 2.029 177.776 175.800 -0.088 0.000 1.105 303 F CA 1.800 59.806 58.000 0.011 0.000 1.239 303 F CB -0.393 38.609 39.000 0.003 0.000 0.991 303 F HN 0.052 nan 8.300 nan 0.000 0.474 304 L N -0.511 120.488 121.223 -0.373 0.000 2.131 304 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 304 L C 2.388 179.051 176.870 -0.346 0.000 1.092 304 L CA 0.901 55.454 54.840 -0.477 0.000 0.759 304 L CB -0.860 40.944 42.059 -0.426 0.000 0.903 304 L HN 0.082 nan 8.230 nan 0.000 0.435 305 V N -0.734 119.027 119.914 -0.254 0.000 2.358 305 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 305 V C 2.198 178.097 176.094 -0.325 0.000 1.047 305 V CA 1.789 63.924 62.300 -0.275 0.000 1.035 305 V CB -0.522 31.101 31.823 -0.333 0.000 0.658 305 V HN 0.224 nan 8.190 nan 0.000 0.452 306 F N 0.859 120.650 119.950 -0.265 0.000 2.365 306 F HA -0.115 4.412 4.527 0.000 0.000 0.300 306 F C 2.248 177.897 175.800 -0.252 0.000 1.090 306 F CA 1.639 59.518 58.000 -0.203 0.000 1.408 306 F CB -0.557 38.327 39.000 -0.195 0.000 1.060 306 F HN 0.248 nan 8.300 nan 0.000 0.534 307 N N 0.278 118.793 118.700 -0.309 0.000 2.166 307 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 307 N C 1.729 177.136 175.510 -0.172 0.000 1.019 307 N CA 1.432 54.273 53.050 -0.348 0.000 0.856 307 N CB -0.082 38.087 38.487 -0.530 0.000 0.993 307 N HN 0.068 nan 8.380 nan 0.000 0.426 308 E N 0.262 120.374 120.200 -0.148 0.000 2.107 308 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 308 E C 2.103 178.690 176.600 -0.023 0.000 0.982 308 E CA 0.498 56.849 56.400 -0.081 0.000 0.809 308 E CB -0.282 29.383 29.700 -0.060 0.000 0.756 308 E HN 0.474 nan 8.360 nan 0.000 0.459 309 L N 0.292 121.540 121.223 0.042 0.000 2.056 309 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 309 L C 2.501 179.450 176.870 0.132 0.000 1.078 309 L CA 0.765 55.734 54.840 0.215 0.000 0.749 309 L CB -0.454 41.773 42.059 0.280 0.000 0.901 309 L HN -0.018 nan 8.230 nan 0.000 0.433 310 V N -0.178 119.809 119.914 0.122 0.000 2.453 310 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 310 V C 2.330 178.399 176.094 -0.041 0.000 1.048 310 V CA 1.922 64.270 62.300 0.079 0.000 1.049 310 V CB -0.533 31.309 31.823 0.032 0.000 0.672 310 V HN 0.571 nan 8.190 nan 0.000 0.457 311 D N 0.642 120.995 120.400 -0.077 0.000 2.123 311 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 311 D C 2.076 178.280 176.300 -0.159 0.000 0.992 311 D CA 1.796 55.736 54.000 -0.101 0.000 0.833 311 D CB 0.265 41.009 40.800 -0.094 0.000 0.954 311 D HN 0.422 nan 8.370 nan 0.000 0.455 312 A N 0.934 123.595 122.820 -0.264 0.000 1.897 312 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 312 A C 2.149 179.437 177.584 -0.495 0.000 1.181 312 A CA 1.486 53.251 52.037 -0.455 0.000 0.620 312 A CB -0.588 17.933 19.000 -0.797 0.000 0.821 312 A HN 0.424 nan 8.150 nan 0.000 0.443 313 E N 0.041 119.981 120.200 -0.433 0.000 2.204 313 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 313 E C 1.900 178.453 176.600 -0.079 0.000 0.990 313 E CA 0.951 57.238 56.400 -0.187 0.000 0.821 313 E CB -0.192 29.551 29.700 0.071 0.000 0.750 313 E HN 0.527 nan 8.360 nan 0.000 0.477 314 A N 1.055 123.825 122.820 -0.083 0.000 1.930 314 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 314 A C 1.521 179.069 177.584 -0.059 0.000 1.176 314 A CA 0.350 52.358 52.037 -0.050 0.000 0.632 314 A CB -0.068 18.904 19.000 -0.047 0.000 0.819 314 A HN 0.080 nan 8.150 nan 0.000 0.445 315 R N -1.014 119.433 120.500 -0.090 0.000 2.611 315 R HA 0.396 4.736 4.340 -0.000 0.000 0.243 315 R C 0.732 176.989 176.300 -0.072 0.000 1.260 315 R CA -0.089 55.965 56.100 -0.076 0.000 1.095 315 R CB -0.240 30.008 30.300 -0.088 0.000 1.259 315 R HN 0.272 nan 8.270 nan 0.000 0.575 316 G N 1.053 109.819 108.800 -0.056 0.000 2.369 316 G HA2 0.146 4.106 3.960 -0.000 0.000 0.287 316 G HA3 0.146 4.106 3.960 -0.000 0.000 0.287 316 G C 0.324 175.198 174.900 -0.045 0.000 1.009 316 G CA -0.309 44.768 45.100 -0.037 0.000 1.393 316 G HN 0.353 nan 8.290 nan 0.000 0.432 317 V N 2.353 122.244 119.914 -0.038 0.000 2.377 317 V HA 0.170 4.290 4.120 -0.000 0.000 0.254 317 V C 1.466 177.578 176.094 0.030 0.000 1.060 317 V CA -0.607 61.678 62.300 -0.025 0.000 1.068 317 V CB 0.036 31.851 31.823 -0.013 0.000 1.113 317 V HN 0.757 nan 8.190 nan 0.000 0.484 318 K N 4.488 124.917 120.400 0.048 0.000 1.980 318 K HA -0.099 4.221 4.320 -0.000 0.000 0.229 318 K C 1.598 178.256 176.600 0.096 0.000 1.026 318 K CA 2.296 58.625 56.287 0.070 0.000 1.055 318 K CB -0.546 32.004 32.500 0.082 0.000 0.741 318 K HN 0.791 nan 8.250 nan 0.000 0.448 319 G N -0.534 108.343 108.800 0.129 0.000 3.274 319 G HA2 0.034 3.994 3.960 -0.000 0.000 0.250 319 G HA3 0.034 3.994 3.960 -0.000 0.000 0.250 319 G C -0.121 174.855 174.900 0.126 0.000 1.024 319 G CA -0.510 44.681 45.100 0.153 0.000 0.840 319 G HN 0.420 nan 8.290 nan 0.000 0.522 320 F N 3.298 123.209 119.950 -0.066 0.000 2.152 320 F HA -0.102 4.425 4.527 -0.000 0.000 0.381 320 F C 0.096 175.711 175.800 -0.308 0.000 0.998 320 F CA 0.662 58.595 58.000 -0.112 0.000 0.900 320 F CB -0.054 38.892 39.000 -0.090 0.000 0.756 320 F HN 0.168 nan 8.300 nan 0.000 0.494 321 H N 5.261 124.135 119.070 -0.326 0.000 2.600 321 H HA 0.236 4.792 4.556 -0.000 0.000 0.224 321 H C -2.246 172.836 175.328 -0.409 0.000 1.413 321 H CA -1.486 54.387 56.048 -0.292 0.000 1.401 321 H CB 0.291 29.988 29.762 -0.107 0.000 1.772 321 H HN 0.382 nan 8.280 nan 0.000 0.528 322 P HA 0.074 nan 4.420 nan 0.000 0.265 322 P C -0.151 176.853 177.300 -0.493 0.000 1.193 322 P CA -0.067 62.710 63.100 -0.539 0.000 0.765 322 P CB 0.848 32.221 31.700 -0.545 0.000 0.823 323 A N 3.468 126.093 122.820 -0.325 0.000 2.527 323 A HA 0.192 4.512 4.320 -0.000 0.000 0.313 323 A C -0.290 177.269 177.584 -0.041 0.000 1.410 323 A CA -0.310 51.621 52.037 -0.176 0.000 1.060 323 A CB -0.837 18.137 19.000 -0.042 0.000 1.137 323 A HN 0.629 nan 8.150 nan 0.000 0.542 324 H N 1.757 120.874 119.070 0.078 0.000 2.580 324 H HA 0.520 5.076 4.556 -0.000 0.000 0.322 324 H C -0.040 175.425 175.328 0.228 0.000 1.082 324 H CA -0.082 56.116 56.048 0.249 0.000 1.383 324 H CB 1.164 31.172 29.762 0.409 0.000 1.450 324 H HN 0.746 nan 8.280 nan 0.000 0.505 325 M N 3.355 123.197 119.600 0.404 0.000 2.531 325 M HA 0.415 4.895 4.480 -0.000 0.000 0.286 325 M C -1.727 174.704 176.300 0.218 0.000 1.232 325 M CA -0.768 54.674 55.300 0.237 0.000 0.877 325 M CB 2.157 34.838 32.600 0.135 0.000 1.726 325 M HN 0.520 nan 8.290 nan 0.000 0.463 326 I N 2.350 122.981 120.570 0.101 0.000 2.353 326 I HA 0.285 4.455 4.170 -0.000 0.000 0.293 326 I C -0.828 175.229 176.117 -0.100 0.000 0.992 326 I CA -0.174 61.174 61.300 0.081 0.000 1.268 326 I CB 1.256 39.295 38.000 0.066 0.000 1.387 326 I HN 0.535 nan 8.210 nan 0.000 0.478 327 D N 6.723 127.078 120.400 -0.075 0.000 2.375 327 D HA 0.340 4.980 4.640 -0.000 0.000 0.259 327 D C -0.910 175.394 176.300 0.007 0.000 1.235 327 D CA -0.228 53.732 54.000 -0.068 0.000 0.924 327 D CB 0.790 41.488 40.800 -0.170 0.000 1.143 327 D HN 0.486 nan 8.370 nan 0.000 0.529 328 Q N 0.432 120.214 119.800 -0.030 0.000 2.528 328 Q HA 0.619 4.959 4.340 -0.000 0.000 0.289 328 Q C -1.149 174.678 176.000 -0.289 0.000 1.091 328 Q CA -1.126 54.599 55.803 -0.131 0.000 0.797 328 Q CB 2.399 31.057 28.738 -0.133 0.000 1.466 328 Q HN 0.207 nan 8.270 nan 0.000 0.436 329 S N -0.062 115.416 115.700 -0.369 0.000 2.561 329 S HA 0.438 4.908 4.470 -0.000 0.000 0.303 329 S C -1.757 172.574 174.600 -0.449 0.000 1.110 329 S CA -0.569 57.443 58.200 -0.313 0.000 1.034 329 S CB 0.314 63.471 63.200 -0.071 0.000 1.010 329 S HN 0.572 nan 8.310 nan 0.000 0.482 330 H N 4.023 123.131 119.070 0.063 0.000 2.690 330 H HA 0.417 4.973 4.556 -0.000 0.000 0.280 330 H C 0.481 175.854 175.328 0.075 0.000 1.138 330 H CA -0.790 55.293 56.048 0.057 0.000 1.241 330 H CB 0.639 30.421 29.762 0.033 0.000 1.394 330 H HN 0.480 nan 8.280 nan 0.000 0.489 331 N N 1.813 120.599 118.700 0.142 0.000 2.409 331 N HA -0.046 4.694 4.740 -0.000 0.000 0.174 331 N C 0.933 176.543 175.510 0.166 0.000 1.037 331 N CA 0.671 53.814 53.050 0.156 0.000 0.898 331 N CB 0.902 39.479 38.487 0.151 0.000 1.010 331 N HN 0.486 nan 8.380 nan 0.000 0.445 332 V N -2.220 117.775 119.914 0.135 0.000 3.017 332 V HA 0.463 4.583 4.120 -0.000 0.000 0.354 332 V C -0.081 176.063 176.094 0.084 0.000 1.389 332 V CA -0.335 62.023 62.300 0.097 0.000 1.163 332 V CB -0.205 31.657 31.823 0.065 0.000 1.178 332 V HN 0.143 nan 8.190 nan 0.000 0.547 333 T N -3.708 110.908 114.554 0.103 0.000 2.841 333 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 333 T C -1.192 173.547 174.700 0.066 0.000 1.166 333 T CA -0.328 61.816 62.100 0.074 0.000 1.007 333 T CB 2.147 71.054 68.868 0.065 0.000 1.253 333 T HN 0.182 nan 8.240 nan 0.000 0.511 334 D N 1.412 121.834 120.400 0.038 0.000 2.358 334 D HA 0.220 4.860 4.640 -0.000 0.000 0.258 334 D C -1.486 174.767 176.300 -0.078 0.000 1.223 334 D CA -1.848 52.170 54.000 0.031 0.000 0.886 334 D CB 1.368 42.215 40.800 0.078 0.000 1.120 334 D HN 0.118 nan 8.370 nan 0.000 0.482 335 P HA -0.171 nan 4.420 nan 0.000 0.216 335 P C 1.618 178.672 177.300 -0.411 0.000 1.154 335 P CA 1.151 64.082 63.100 -0.281 0.000 0.865 335 P CB 0.227 31.892 31.700 -0.058 0.000 0.789 336 I N -0.645 119.759 120.570 -0.276 0.000 2.226 336 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 336 I C 2.257 178.086 176.117 -0.481 0.000 1.100 336 I CA 1.512 62.588 61.300 -0.374 0.000 1.374 336 I CB -0.703 37.047 38.000 -0.416 0.000 1.057 336 I HN 0.030 nan 8.210 nan 0.000 0.413 337 E N 0.469 120.380 120.200 -0.482 0.000 2.077 337 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 337 E C 2.355 178.809 176.600 -0.244 0.000 0.989 337 E CA 1.398 57.577 56.400 -0.369 0.000 0.800 337 E CB -0.115 29.459 29.700 -0.211 0.000 0.746 337 E HN 0.338 nan 8.360 nan 0.000 0.452 338 S N 1.016 116.561 115.700 -0.259 0.000 2.356 338 S HA -0.094 4.376 4.470 -0.000 0.000 0.223 338 S C 2.041 176.523 174.600 -0.196 0.000 1.032 338 S CA 0.770 58.850 58.200 -0.200 0.000 1.005 338 S CB -0.159 62.908 63.200 -0.221 0.000 0.867 338 S HN 0.168 nan 8.310 nan 0.000 0.449 339 L N 0.897 121.926 121.223 -0.324 0.000 2.083 339 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 339 L C 2.158 178.950 176.870 -0.130 0.000 1.083 339 L CA 0.999 55.729 54.840 -0.184 0.000 0.752 339 L CB -0.515 41.417 42.059 -0.212 0.000 0.899 339 L HN 0.320 nan 8.230 nan 0.000 0.433 340 I N -0.056 120.411 120.570 -0.173 0.000 2.142 340 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 340 I C 2.094 178.160 176.117 -0.085 0.000 1.078 340 I CA 1.325 62.545 61.300 -0.133 0.000 1.343 340 I CB -0.341 37.554 38.000 -0.175 0.000 1.046 340 I HN 0.336 nan 8.210 nan 0.000 0.405 341 N N 0.329 118.980 118.700 -0.081 0.000 2.309 341 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 341 N C 1.946 177.436 175.510 -0.033 0.000 1.018 341 N CA 0.973 53.994 53.050 -0.049 0.000 0.876 341 N CB -0.150 38.314 38.487 -0.038 0.000 0.972 341 N HN 0.196 nan 8.380 nan 0.000 0.434 342 S N 0.467 116.152 115.700 -0.026 0.000 2.357 342 S HA 0.023 4.493 4.470 -0.000 0.000 0.221 342 S C 2.065 176.649 174.600 -0.026 0.000 1.031 342 S CA 0.918 59.117 58.200 -0.002 0.000 0.982 342 S CB -0.239 62.986 63.200 0.041 0.000 0.853 342 S HN 0.471 nan 8.310 nan 0.000 0.458 343 A N 2.214 125.020 122.820 -0.024 0.000 1.933 343 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 343 A C 1.847 179.410 177.584 -0.036 0.000 1.175 343 A CA 1.623 53.651 52.037 -0.014 0.000 0.628 343 A CB -0.837 18.164 19.000 0.002 0.000 0.814 343 A HN 0.615 nan 8.150 nan 0.000 0.444 344 N N -0.664 118.011 118.700 -0.042 0.000 2.084 344 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 344 N C 1.624 177.083 175.510 -0.085 0.000 1.030 344 N CA 1.104 54.123 53.050 -0.052 0.000 0.849 344 N CB -0.133 38.330 38.487 -0.041 0.000 1.012 344 N HN 0.364 nan 8.380 nan 0.000 0.423 345 E N 1.110 121.264 120.200 -0.078 0.000 2.110 345 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 345 E C 2.020 178.517 176.600 -0.171 0.000 0.988 345 E CA 0.682 57.030 56.400 -0.087 0.000 0.804 345 E CB -0.146 29.530 29.700 -0.039 0.000 0.745 345 E HN 0.477 nan 8.360 nan 0.000 0.458 346 I N 0.347 120.781 120.570 -0.227 0.000 2.252 346 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 346 I C 2.556 178.282 176.117 -0.652 0.000 1.102 346 I CA 0.937 61.981 61.300 -0.425 0.000 1.385 346 I CB -0.172 37.591 38.000 -0.396 0.000 1.064 346 I HN -0.029 nan 8.210 nan 0.000 0.414 347 R N 0.157 120.411 120.500 -0.410 0.000 2.148 347 R HA -0.124 4.216 4.340 -0.000 0.000 0.227 347 R C 2.409 178.507 176.300 -0.336 0.000 1.103 347 R CA 0.835 56.691 56.100 -0.408 0.000 0.983 347 R CB -0.224 29.989 30.300 -0.145 0.000 0.874 347 R HN 0.320 nan 8.270 nan 0.000 0.451 348 R N 0.522 120.866 120.500 -0.261 0.000 2.066 348 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 348 R C 2.117 178.297 176.300 -0.199 0.000 1.131 348 R CA 1.529 57.520 56.100 -0.182 0.000 0.955 348 R CB -0.207 30.023 30.300 -0.118 0.000 0.851 348 R HN 0.174 nan 8.270 nan 0.000 0.432 349 A N 0.123 122.781 122.820 -0.270 0.000 1.902 349 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 349 A C 2.019 179.352 177.584 -0.419 0.000 1.181 349 A CA 1.406 53.334 52.037 -0.182 0.000 0.623 349 A CB -0.903 18.004 19.000 -0.155 0.000 0.818 349 A HN 0.623 nan 8.150 nan 0.000 0.443 350 Y N 0.729 120.325 120.300 -1.173 0.000 2.114 350 Y HA -0.106 4.444 4.550 -0.000 0.000 0.284 350 Y C 2.659 178.294 175.900 -0.442 0.000 1.143 350 Y CA 1.302 58.752 58.100 -1.083 0.000 1.135 350 Y CB -0.767 36.764 38.460 -1.549 0.000 0.980 350 Y HN 0.300 nan 8.280 nan 0.000 0.499 351 A N 0.314 122.868 122.820 -0.443 0.000 1.908 351 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 351 A C 2.116 179.569 177.584 -0.218 0.000 1.181 351 A CA 2.106 53.933 52.037 -0.350 0.000 0.627 351 A CB -0.829 18.058 19.000 -0.188 0.000 0.818 351 A HN 0.703 nan 8.150 nan 0.000 0.445 352 Q N -0.737 119.013 119.800 -0.083 0.000 2.124 352 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 352 Q C 2.380 178.536 176.000 0.260 0.000 0.977 352 Q CA 1.265 57.124 55.803 0.093 0.000 0.850 352 Q CB -0.395 28.448 28.738 0.175 0.000 0.901 352 Q HN 0.689 nan 8.270 nan 0.000 0.429 353 A N 0.924 123.836 122.820 0.154 0.000 1.972 353 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 353 A C 2.015 179.552 177.584 -0.079 0.000 1.169 353 A CA 0.987 53.019 52.037 -0.008 0.000 0.635 353 A CB -0.554 18.355 19.000 -0.150 0.000 0.810 353 A HN 0.292 nan 8.150 nan 0.000 0.446 354 L N -0.633 120.462 121.223 -0.214 0.000 2.275 354 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 354 L C 2.020 178.828 176.870 -0.103 0.000 1.119 354 L CA 0.529 55.237 54.840 -0.220 0.000 0.790 354 L CB -0.333 41.504 42.059 -0.370 0.000 0.919 354 L HN 0.374 nan 8.230 nan 0.000 0.443 355 L N -0.788 120.403 121.223 -0.053 0.000 2.478 355 L HA 0.017 4.357 4.340 -0.000 0.000 0.223 355 L C 0.750 177.635 176.870 0.025 0.000 1.140 355 L CA -0.246 54.582 54.840 -0.019 0.000 0.842 355 L CB -0.146 41.903 42.059 -0.017 0.000 0.953 355 L HN -0.037 nan 8.230 nan 0.000 0.452 356 V N 1.287 121.237 119.914 0.060 0.000 2.540 356 V HA -0.114 4.006 4.120 -0.000 0.000 0.297 356 V C 0.538 176.657 176.094 0.041 0.000 1.024 356 V CA 0.090 62.440 62.300 0.083 0.000 1.105 356 V CB 0.611 32.491 31.823 0.095 0.000 0.938 356 V HN 0.148 nan 8.190 nan 0.000 0.482 357 D N 5.729 126.159 120.400 0.050 0.000 2.416 357 D HA 0.057 4.697 4.640 -0.000 0.000 0.240 357 D C 1.413 177.728 176.300 0.025 0.000 1.250 357 D CA -0.259 53.759 54.000 0.029 0.000 0.967 357 D CB 0.452 41.276 40.800 0.040 0.000 1.059 357 D HN 0.358 nan 8.370 nan 0.000 0.512 358 R N 2.797 123.300 120.500 0.005 0.000 2.091 358 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 358 R C 1.799 178.088 176.300 -0.018 0.000 1.136 358 R CA 1.302 57.398 56.100 -0.005 0.000 0.959 358 R CB -0.857 29.431 30.300 -0.019 0.000 0.856 358 R HN 0.480 nan 8.270 nan 0.000 0.437 359 A N 1.158 123.961 122.820 -0.030 0.000 1.898 359 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 359 A C 2.422 179.951 177.584 -0.091 0.000 1.181 359 A CA 1.734 53.738 52.037 -0.054 0.000 0.620 359 A CB -0.544 18.425 19.000 -0.051 0.000 0.819 359 A HN 0.346 nan 8.150 nan 0.000 0.442 360 A N -0.507 122.264 122.820 -0.082 0.000 1.898 360 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 360 A C 2.124 179.621 177.584 -0.145 0.000 1.181 360 A CA 1.673 53.607 52.037 -0.171 0.000 0.620 360 A CB -0.645 18.341 19.000 -0.023 0.000 0.819 360 A HN 0.664 nan 8.150 nan 0.000 0.442 361 L N 0.006 121.253 121.223 0.040 0.000 2.012 361 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 361 L C 2.608 179.508 176.870 0.049 0.000 1.073 361 L CA 2.657 57.571 54.840 0.123 0.000 0.748 361 L CB -0.852 41.261 42.059 0.090 0.000 0.891 361 L HN 0.363 nan 8.230 nan 0.000 0.431 362 S N -0.645 115.045 115.700 -0.016 0.000 2.370 362 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 362 S C 2.072 176.638 174.600 -0.058 0.000 1.033 362 S CA 1.383 59.565 58.200 -0.030 0.000 1.011 362 S CB -0.952 62.222 63.200 -0.043 0.000 0.852 362 S HN 0.675 nan 8.310 nan 0.000 0.457 363 G N -0.441 108.270 108.800 -0.148 0.000 2.421 363 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 363 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 363 G C 1.158 175.968 174.900 -0.151 0.000 1.171 363 G CA 1.018 45.994 45.100 -0.208 0.000 0.775 363 G HN 0.601 nan 8.290 nan 0.000 0.543 364 Y N 1.000 121.301 120.300 0.001 0.000 2.293 364 Y HA -0.047 4.503 4.550 -0.000 0.000 0.291 364 Y C 3.104 179.005 175.900 0.002 0.000 1.137 364 Y CA 1.111 59.212 58.100 0.003 0.000 1.202 364 Y CB -0.482 37.982 38.460 0.007 0.000 0.990 364 Y HN 0.301 nan 8.280 nan 0.000 0.537 365 Q N -0.196 119.684 119.800 0.135 0.000 2.046 365 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 365 Q C 1.988 178.016 176.000 0.047 0.000 0.975 365 Q CA 1.281 57.129 55.803 0.076 0.000 0.836 365 Q CB -0.105 28.660 28.738 0.045 0.000 0.896 365 Q HN 0.390 nan 8.270 nan 0.000 0.428 366 E N 0.959 121.174 120.200 0.025 0.000 2.153 366 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 366 E C 1.120 177.733 176.600 0.022 0.000 0.988 366 E CA 0.942 57.349 56.400 0.011 0.000 0.811 366 E CB -0.068 29.626 29.700 -0.009 0.000 0.746 366 E HN 0.376 nan 8.360 nan 0.000 0.466 367 D N 0.124 120.548 120.400 0.041 0.000 2.340 367 D HA -0.001 4.639 4.640 -0.000 0.000 0.220 367 D C -0.233 176.104 176.300 0.061 0.000 1.039 367 D CA 0.002 54.033 54.000 0.052 0.000 0.866 367 D CB -0.229 40.616 40.800 0.074 0.000 0.913 367 D HN 0.154 nan 8.370 nan 0.000 0.523 368 N N 1.336 120.073 118.700 0.062 0.000 2.735 368 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 368 N C -0.695 174.847 175.510 0.054 0.000 1.083 368 N CA 0.414 53.494 53.050 0.050 0.000 0.703 368 N CB -0.683 37.823 38.487 0.032 0.000 1.005 368 N HN 0.087 nan 8.380 nan 0.000 0.550 369 D N 0.020 120.473 120.400 0.088 0.000 2.522 369 D HA 0.450 5.090 4.640 -0.000 0.000 0.218 369 D C 1.098 177.399 176.300 0.002 0.000 1.149 369 D CA 0.305 54.338 54.000 0.055 0.000 0.981 369 D CB 0.196 41.073 40.800 0.129 0.000 1.041 369 D HN 0.379 nan 8.370 nan 0.000 0.518 370 A N 3.601 126.419 122.820 -0.003 0.000 1.908 370 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 370 A C 2.107 179.662 177.584 -0.047 0.000 1.181 370 A CA 1.013 53.044 52.037 -0.011 0.000 0.627 370 A CB -0.536 18.462 19.000 -0.003 0.000 0.818 370 A HN 0.607 nan 8.150 nan 0.000 0.445 371 L N -1.301 119.880 121.223 -0.070 0.000 1.989 371 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 371 L C 2.510 179.278 176.870 -0.169 0.000 1.071 371 L CA 1.886 56.670 54.840 -0.094 0.000 0.749 371 L CB -0.221 41.787 42.059 -0.085 0.000 0.890 371 L HN 0.291 nan 8.230 nan 0.000 0.431 372 M N -0.678 118.736 119.600 -0.310 0.000 2.229 372 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 372 M C 2.408 178.393 176.300 -0.524 0.000 1.063 372 M CA 1.529 56.460 55.300 -0.614 0.000 1.114 372 M CB -1.509 30.315 32.600 -1.293 0.000 1.387 372 M HN 0.470 nan 8.290 nan 0.000 0.420 373 A N -0.662 122.003 122.820 -0.257 0.000 1.877 373 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 373 A C 2.394 179.989 177.584 0.020 0.000 1.186 373 A CA 2.382 54.420 52.037 0.002 0.000 0.620 373 A CB -1.175 17.867 19.000 0.070 0.000 0.822 373 A HN 0.428 nan 8.150 nan 0.000 0.443 374 T N -1.066 113.487 114.554 -0.002 0.000 2.867 374 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 374 T C 1.898 176.623 174.700 0.042 0.000 1.057 374 T CA 1.785 63.913 62.100 0.046 0.000 1.136 374 T CB -0.218 68.672 68.868 0.038 0.000 0.874 374 T HN 0.591 nan 8.240 nan 0.000 0.466 375 E N 0.400 120.583 120.200 -0.028 0.000 2.204 375 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 375 E C 2.129 178.733 176.600 0.006 0.000 0.989 375 E CA 1.417 57.797 56.400 -0.033 0.000 0.824 375 E CB -0.624 29.022 29.700 -0.090 0.000 0.756 375 E HN 0.370 nan 8.360 nan 0.000 0.477 376 T N 0.552 115.121 114.554 0.024 0.000 2.821 376 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 376 T C 1.430 176.211 174.700 0.135 0.000 1.046 376 T CA 0.989 63.147 62.100 0.098 0.000 1.139 376 T CB -0.174 68.804 68.868 0.183 0.000 0.871 376 T HN 0.073 nan 8.240 nan 0.000 0.454 377 L N 0.918 122.242 121.223 0.169 0.000 2.072 377 L HA 0.076 4.416 4.340 -0.000 0.000 0.205 377 L C 2.353 179.370 176.870 0.246 0.000 1.079 377 L CA 1.601 56.617 54.840 0.293 0.000 0.752 377 L CB -0.462 41.803 42.059 0.344 0.000 0.906 377 L HN -0.026 nan 8.230 nan 0.000 0.436 378 K N -0.312 120.177 120.400 0.150 0.000 2.097 378 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 378 K C 2.166 178.769 176.600 0.006 0.000 1.049 378 K CA 1.044 57.368 56.287 0.061 0.000 0.933 378 K CB -0.280 32.220 32.500 -0.001 0.000 0.717 378 K HN 0.324 nan 8.250 nan 0.000 0.442 379 R N 0.179 120.689 120.500 0.015 0.000 2.127 379 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 379 R C 2.245 178.529 176.300 -0.026 0.000 1.134 379 R CA 1.307 57.400 56.100 -0.012 0.000 0.975 379 R CB -0.246 30.059 30.300 0.009 0.000 0.865 379 R HN 0.164 nan 8.270 nan 0.000 0.447 380 A N 0.118 122.948 122.820 0.016 0.000 1.874 380 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 380 A C 1.925 179.440 177.584 -0.114 0.000 1.189 380 A CA 0.743 52.791 52.037 0.017 0.000 0.615 380 A CB -0.658 18.449 19.000 0.178 0.000 0.830 380 A HN 0.393 nan 8.150 nan 0.000 0.443 381 Y N 0.962 120.985 120.300 -0.461 0.000 2.224 381 Y HA -0.167 4.383 4.550 0.000 0.000 0.289 381 Y C 2.352 178.031 175.900 -0.368 0.000 1.146 381 Y CA 1.894 59.553 58.100 -0.736 0.000 1.182 381 Y CB -0.250 37.599 38.460 -1.018 0.000 0.983 381 Y HN 0.231 nan 8.280 nan 0.000 0.524 382 R N -0.302 119.973 120.500 -0.375 0.000 2.189 382 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 382 R C 0.440 176.552 176.300 -0.313 0.000 1.092 382 R CA 0.992 56.866 56.100 -0.378 0.000 0.989 382 R CB -0.630 29.548 30.300 -0.202 0.000 0.876 382 R HN 0.179 nan 8.270 nan 0.000 0.457 383 T N 1.694 116.098 114.554 -0.250 0.000 2.853 383 T HA -0.043 4.307 4.350 -0.000 0.000 0.298 383 T C -0.101 174.474 174.700 -0.208 0.000 0.978 383 T CA -0.033 61.953 62.100 -0.189 0.000 1.152 383 T CB 0.845 69.629 68.868 -0.139 0.000 0.914 383 T HN 0.003 nan 8.240 nan 0.000 0.539 384 D N 3.347 123.644 120.400 -0.171 0.000 2.402 384 D HA 0.095 4.735 4.640 -0.000 0.000 0.235 384 D C 1.115 177.342 176.300 -0.122 0.000 1.226 384 D CA -0.705 53.203 54.000 -0.152 0.000 0.918 384 D CB 0.342 41.068 40.800 -0.123 0.000 1.043 384 D HN 0.348 nan 8.370 nan 0.000 0.506 385 V N 1.674 121.515 119.914 -0.121 0.000 3.633 385 V HA 0.112 4.232 4.120 -0.000 0.000 0.283 385 V C 1.700 177.758 176.094 -0.060 0.000 1.305 385 V CA 0.128 62.371 62.300 -0.095 0.000 1.153 385 V CB 0.007 31.769 31.823 -0.102 0.000 0.950 385 V HN 0.280 nan 8.190 nan 0.000 0.432 386 E N 2.610 122.776 120.200 -0.057 0.000 2.114 386 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 386 E C -0.152 176.454 176.600 0.009 0.000 1.008 386 E CA 2.490 58.871 56.400 -0.031 0.000 0.810 386 E CB -1.489 28.190 29.700 -0.035 0.000 0.739 386 E HN 0.517 nan 8.360 nan 0.000 0.456 387 P HA -0.103 nan 4.420 nan 0.000 0.215 387 P C 1.285 178.712 177.300 0.212 0.000 1.153 387 P CA 1.354 64.525 63.100 0.117 0.000 0.853 387 P CB -0.053 31.710 31.700 0.105 0.000 0.788 388 I N -1.776 118.880 120.570 0.143 0.000 2.179 388 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 388 I C 1.930 178.114 176.117 0.110 0.000 1.088 388 I CA 1.264 62.674 61.300 0.184 0.000 1.357 388 I CB -0.716 37.316 38.000 0.054 0.000 1.051 388 I HN -0.100 nan 8.210 nan 0.000 0.409 389 L N 0.809 122.060 121.223 0.047 0.000 2.083 389 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 389 L C 2.680 179.567 176.870 0.027 0.000 1.083 389 L CA 2.066 56.920 54.840 0.023 0.000 0.752 389 L CB -1.089 40.965 42.059 -0.009 0.000 0.899 389 L HN 0.193 nan 8.230 nan 0.000 0.433 390 A N -0.871 121.968 122.820 0.031 0.000 1.897 390 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 390 A C 2.314 179.897 177.584 -0.001 0.000 1.181 390 A CA 1.526 53.573 52.037 0.017 0.000 0.620 390 A CB -0.453 18.559 19.000 0.019 0.000 0.821 390 A HN 0.373 nan 8.150 nan 0.000 0.443 391 E N 0.464 120.660 120.200 -0.007 0.000 2.106 391 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 391 E C 1.942 178.507 176.600 -0.059 0.000 0.984 391 E CA 1.454 57.789 56.400 -0.108 0.000 0.806 391 E CB -0.462 29.048 29.700 -0.316 0.000 0.750 391 E HN 0.441 nan 8.360 nan 0.000 0.458 392 A N 0.830 123.653 122.820 0.005 0.000 1.902 392 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 392 A C 2.246 179.846 177.584 0.026 0.000 1.181 392 A CA 1.651 53.704 52.037 0.026 0.000 0.623 392 A CB -0.454 18.576 19.000 0.051 0.000 0.818 392 A HN 0.209 nan 8.150 nan 0.000 0.443 393 R N -1.115 119.398 120.500 0.023 0.000 2.066 393 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 393 R C 2.567 178.877 176.300 0.016 0.000 1.131 393 R CA 1.445 57.561 56.100 0.027 0.000 0.955 393 R CB -0.346 29.967 30.300 0.021 0.000 0.851 393 R HN 0.547 nan 8.270 nan 0.000 0.432 394 R N 1.133 121.630 120.500 -0.004 0.000 2.083 394 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 394 R C 2.154 178.446 176.300 -0.013 0.000 1.137 394 R CA 1.635 57.726 56.100 -0.015 0.000 0.951 394 R CB -0.056 30.219 30.300 -0.041 0.000 0.851 394 R HN 0.154 nan 8.270 nan 0.000 0.434 395 R N -0.619 119.868 120.500 -0.022 0.000 2.189 395 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 395 R C 1.549 177.858 176.300 0.015 0.000 1.092 395 R CA 1.646 57.739 56.100 -0.013 0.000 0.989 395 R CB -0.009 30.278 30.300 -0.023 0.000 0.876 395 R HN 0.392 nan 8.270 nan 0.000 0.457 396 T N -3.710 110.862 114.554 0.030 0.000 3.134 396 T HA 0.293 4.643 4.350 -0.000 0.000 0.260 396 T C 1.057 175.787 174.700 0.050 0.000 1.027 396 T CA 0.226 62.355 62.100 0.049 0.000 0.913 396 T CB 1.113 70.025 68.868 0.073 0.000 1.046 396 T HN 0.320 nan 8.240 nan 0.000 0.553 397 G N 0.048 108.874 108.800 0.044 0.000 2.132 397 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.234 397 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.234 397 G C 0.402 175.337 174.900 0.059 0.000 0.989 397 G CA -0.285 44.850 45.100 0.060 0.000 0.676 397 G HN 1.005 nan 8.290 nan 0.000 0.522 398 G N -0.675 108.151 108.800 0.042 0.000 2.583 398 G HA2 0.875 4.835 3.960 -0.000 0.000 0.280 398 G HA3 0.875 4.835 3.960 -0.000 0.000 0.280 398 G C 0.143 175.060 174.900 0.028 0.000 1.376 398 G CA 0.137 45.259 45.100 0.036 0.000 1.043 398 G HN 1.519 nan 8.290 nan 0.000 0.538 399 A N -1.337 121.498 122.820 0.024 0.000 2.324 399 A HA 0.582 4.902 4.320 -0.000 0.000 0.330 399 A C 1.136 178.727 177.584 0.012 0.000 1.165 399 A CA -0.491 51.558 52.037 0.020 0.000 0.813 399 A CB 1.649 20.666 19.000 0.027 0.000 1.197 399 A HN 0.672 nan 8.150 nan 0.000 0.484 400 V N 1.084 121.002 119.914 0.008 0.000 2.287 400 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 400 V C 0.844 176.942 176.094 0.007 0.000 1.053 400 V CA 2.388 64.690 62.300 0.003 0.000 1.027 400 V CB -0.322 31.500 31.823 -0.001 0.000 0.646 400 V HN 0.884 nan 8.190 nan 0.000 0.447 401 D N -1.187 119.220 120.400 0.011 0.000 2.438 401 D HA 0.245 4.885 4.640 -0.000 0.000 0.257 401 D C -1.919 174.395 176.300 0.022 0.000 1.148 401 D CA -2.159 51.848 54.000 0.013 0.000 0.902 401 D CB 1.851 42.660 40.800 0.014 0.000 1.062 401 D HN 0.060 nan 8.370 nan 0.000 0.518 402 P HA -0.187 nan 4.420 nan 0.000 0.215 402 P C 1.642 178.972 177.300 0.050 0.000 1.163 402 P CA 0.759 63.872 63.100 0.021 0.000 0.894 402 P CB 0.478 32.173 31.700 -0.009 0.000 0.791 403 V N -0.253 119.682 119.914 0.034 0.000 2.358 403 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 403 V C 2.450 178.622 176.094 0.131 0.000 1.047 403 V CA 2.162 64.506 62.300 0.074 0.000 1.035 403 V CB -1.755 30.084 31.823 0.027 0.000 0.658 403 V HN 0.106 nan 8.190 nan 0.000 0.452 404 A N -0.221 122.645 122.820 0.077 0.000 1.902 404 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 404 A C 2.409 180.034 177.584 0.069 0.000 1.181 404 A CA 2.554 54.629 52.037 0.064 0.000 0.623 404 A CB -0.988 18.034 19.000 0.037 0.000 0.818 404 A HN 0.493 nan 8.150 nan 0.000 0.443 405 T N -1.586 113.011 114.554 0.072 0.000 2.746 405 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 405 T C 1.781 176.533 174.700 0.086 0.000 1.039 405 T CA 1.625 63.763 62.100 0.063 0.000 1.142 405 T CB -0.441 68.461 68.868 0.057 0.000 0.866 405 T HN 0.580 nan 8.240 nan 0.000 0.444 406 Y N 2.208 122.507 120.300 -0.001 0.000 2.165 406 Y HA -0.168 4.382 4.550 -0.000 0.000 0.286 406 Y C 2.437 178.359 175.900 0.037 0.000 1.155 406 Y CA 1.383 59.485 58.100 0.003 0.000 1.164 406 Y CB -0.156 38.294 38.460 -0.016 0.000 0.978 406 Y HN 0.021 nan 8.280 nan 0.000 0.513 407 R N -0.268 120.253 120.500 0.035 0.000 2.115 407 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 407 R C 2.482 178.743 176.300 -0.065 0.000 1.100 407 R CA 0.882 56.953 56.100 -0.049 0.000 0.980 407 R CB -0.500 29.837 30.300 0.061 0.000 0.875 407 R HN 0.429 nan 8.270 nan 0.000 0.445 408 A N 1.143 123.948 122.820 -0.025 0.000 1.969 408 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 408 A C 2.178 179.741 177.584 -0.036 0.000 1.169 408 A CA 1.753 53.778 52.037 -0.020 0.000 0.635 408 A CB -0.405 18.595 19.000 -0.000 0.000 0.810 408 A HN 0.411 nan 8.150 nan 0.000 0.445 409 S N -1.446 114.222 115.700 -0.054 0.000 2.453 409 S HA 0.271 4.741 4.470 -0.000 0.000 0.231 409 S C 1.580 176.147 174.600 -0.054 0.000 1.005 409 S CA 1.240 59.416 58.200 -0.040 0.000 0.949 409 S CB -0.689 62.499 63.200 -0.020 0.000 0.774 409 S HN 1.959 nan 8.310 nan 0.000 0.510 410 G N 0.324 109.055 108.800 -0.115 0.000 2.160 410 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.251 410 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.251 410 G C 0.217 175.052 174.900 -0.109 0.000 1.008 410 G CA 0.479 45.514 45.100 -0.108 0.000 0.724 410 G HN 0.608 nan 8.290 nan 0.000 0.514 411 Y N 0.917 121.041 120.300 -0.293 0.000 2.081 411 Y HA -0.218 4.332 4.550 -0.000 0.000 0.280 411 Y C 2.814 178.633 175.900 -0.136 0.000 1.163 411 Y CA 2.890 60.863 58.100 -0.211 0.000 1.135 411 Y CB -0.219 38.092 38.460 -0.248 0.000 0.970 411 Y HN 0.338 nan 8.280 nan 0.000 0.498 412 R N 0.949 121.388 120.500 -0.101 0.000 2.096 412 R HA -0.179 4.161 4.340 -0.000 0.000 0.240 412 R C 2.260 178.500 176.300 -0.099 0.000 1.139 412 R CA 1.885 57.969 56.100 -0.025 0.000 0.952 412 R CB -1.274 29.079 30.300 0.088 0.000 0.854 412 R HN 0.433 nan 8.270 nan 0.000 0.436 413 A N 0.715 123.477 122.820 -0.097 0.000 1.972 413 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 413 A C 2.270 179.789 177.584 -0.108 0.000 1.169 413 A CA 1.602 53.592 52.037 -0.078 0.000 0.635 413 A CB -0.650 18.314 19.000 -0.061 0.000 0.810 413 A HN 0.460 nan 8.150 nan 0.000 0.446 414 R N 0.245 120.644 120.500 -0.168 0.000 2.070 414 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 414 R C 2.087 178.261 176.300 -0.210 0.000 1.138 414 R CA 2.429 58.416 56.100 -0.188 0.000 0.936 414 R CB -0.681 29.474 30.300 -0.242 0.000 0.839 414 R HN 0.501 nan 8.270 nan 0.000 0.429 415 V N -1.216 118.499 119.914 -0.332 0.000 2.626 415 V HA 0.007 4.127 4.120 -0.000 0.000 0.252 415 V C 2.314 178.340 176.094 -0.113 0.000 1.067 415 V CA 1.579 63.736 62.300 -0.239 0.000 1.081 415 V CB -0.991 30.654 31.823 -0.297 0.000 0.686 415 V HN 0.416 nan 8.190 nan 0.000 0.468 416 A N 0.672 123.435 122.820 -0.095 0.000 1.969 416 A HA 0.205 4.525 4.320 -0.000 0.000 0.218 416 A C 2.347 179.910 177.584 -0.036 0.000 1.169 416 A CA 1.849 53.860 52.037 -0.042 0.000 0.635 416 A CB -0.741 18.241 19.000 -0.029 0.000 0.810 416 A HN 0.975 nan 8.150 nan 0.000 0.445 417 A N -0.623 122.167 122.820 -0.050 0.000 2.178 417 A HA 0.113 4.433 4.320 -0.000 0.000 0.211 417 A C 1.644 179.210 177.584 -0.031 0.000 1.157 417 A CA 0.998 53.013 52.037 -0.036 0.000 0.780 417 A CB -0.162 18.815 19.000 -0.040 0.000 0.828 417 A HN 0.613 nan 8.150 nan 0.000 0.476 418 E N -0.535 119.641 120.200 -0.039 0.000 2.389 418 E HA 0.091 4.441 4.350 -0.000 0.000 0.199 418 E C 0.176 176.770 176.600 -0.010 0.000 0.978 418 E CA -0.044 56.340 56.400 -0.026 0.000 0.912 418 E CB 0.362 30.041 29.700 -0.036 0.000 0.907 418 E HN 0.435 nan 8.360 nan 0.000 0.494 419 R N 2.198 122.693 120.500 -0.009 0.000 2.604 419 R HA 0.317 4.657 4.340 -0.000 0.000 0.287 419 R C -2.387 173.919 176.300 0.010 0.000 0.970 419 R CA -2.056 54.048 56.100 0.008 0.000 0.946 419 R CB 0.604 30.913 30.300 0.014 0.000 1.127 419 R HN -0.049 nan 8.270 nan 0.000 0.473 420 P HA 0.014 nan 4.420 nan 0.000 0.269 420 P C -0.674 176.637 177.300 0.018 0.000 1.215 420 P CA -0.175 62.935 63.100 0.016 0.000 0.780 420 P CB 0.668 32.380 31.700 0.019 0.000 0.898 421 A N 2.731 125.561 122.820 0.017 0.000 2.425 421 A HA 0.384 4.704 4.320 -0.000 0.000 0.242 421 A C 0.479 178.077 177.584 0.022 0.000 1.077 421 A CA 0.065 52.114 52.037 0.020 0.000 0.781 421 A CB -0.261 18.751 19.000 0.020 0.000 1.020 421 A HN 0.563 nan 8.150 nan 0.000 0.494 422 S N -1.073 114.643 115.700 0.027 0.000 2.664 422 S HA 0.661 5.131 4.470 -0.000 0.000 0.304 422 S C -0.248 174.368 174.600 0.028 0.000 1.099 422 S CA -0.248 57.968 58.200 0.025 0.000 1.003 422 S CB 1.642 64.860 63.200 0.029 0.000 1.092 422 S HN 1.407 nan 8.310 nan 0.000 0.525 423 V N -0.604 119.322 119.914 0.020 0.000 2.628 423 V HA 0.955 5.075 4.120 -0.000 0.000 0.306 423 V C 0.133 176.233 176.094 0.009 0.000 1.045 423 V CA -1.253 61.059 62.300 0.020 0.000 0.905 423 V CB 0.821 32.652 31.823 0.013 0.000 0.997 423 V HN 1.005 nan 8.190 nan 0.000 0.436 424 A N 2.780 125.611 122.820 0.019 0.000 2.425 424 A HA 0.877 5.197 4.320 -0.000 0.000 0.242 424 A C 0.708 178.251 177.584 -0.068 0.000 1.077 424 A CA 0.566 52.589 52.037 -0.022 0.000 0.781 424 A CB 0.286 19.314 19.000 0.047 0.000 1.020 424 A HN 2.107 nan 8.150 nan 0.000 0.494 425 G N -0.789 107.921 108.800 -0.150 0.000 2.753 425 G HA2 0.651 4.611 3.960 -0.000 0.000 0.303 425 G HA3 0.651 4.611 3.960 -0.000 0.000 0.303 425 G C -0.088 174.715 174.900 -0.161 0.000 1.242 425 G CA 0.122 45.153 45.100 -0.116 0.000 0.810 425 G HN 1.334 nan 8.290 nan 0.000 0.515 426 G N -2.107 106.636 108.800 -0.095 0.000 3.008 426 G HA2 0.585 4.545 3.960 -0.000 0.000 0.181 426 G HA3 0.585 4.545 3.960 -0.000 0.000 0.181 426 G C 0.539 175.398 174.900 -0.069 0.000 1.309 426 G CA 0.417 45.471 45.100 -0.076 0.000 1.009 426 G HN 1.712 nan 8.290 nan 0.000 0.584 427 G N -2.501 106.264 108.800 -0.057 0.000 2.371 427 G HA2 0.560 4.520 3.960 -0.000 0.000 0.205 427 G HA3 0.560 4.520 3.960 -0.000 0.000 0.205 427 G C 0.405 175.272 174.900 -0.056 0.000 1.486 427 G CA 1.029 46.096 45.100 -0.055 0.000 0.553 427 G HN 1.865 nan 8.290 nan 0.000 1.124 428 G N 0.000 108.744 108.800 -0.093 0.000 5.446 428 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 428 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 428 G CA 0.000 45.051 45.100 -0.082 0.000 0.502 428 G HN 0.000 nan 8.290 nan 0.000 0.925