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 3fsp_1_A DATA FIRST_RESID 8 DATA SEQUENCE FPAREFQRDL LDWFARERRD LPWRKDRDPY KVWVSEVMLQ QTRVETVIPY DATA SEQUENCE FEQFIDRFPT LEALADADED EVLKAWEGLG YYSRVRNLHA AVKEVKTRYG DATA SEQUENCE GKVPDDPDEF SRLKGVGPYT VGAVLSLAYG VPEPAVDGNV MRVLSRLFLV DATA SEQUENCE TDDIAKPSTR KRFEQIVREI MAYENPGAFN EALIELGALV CTPRRPSCLL DATA SEQUENCE CPVQAYCQAF AEGVAEELPV KMKKTAVKQV PLAVAVLADD EGRVLIRKRD DATA SEQUENCE STGLLANLWE FPSCETDGAD GKEKLEQMVG EQYGLQVELT EPIVSFEHAF DATA SEQUENCE SHLVWQLTVF PGRLVHGGPV EEPYRLAPED ELKAYAFPVS HQRVWREYKE DATA SEQUENCE WAS 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.900 175.800 0.167 0.000 0.967 8 F CA 0.000 58.099 58.000 0.165 0.000 1.383 8 F CB 0.000 39.124 39.000 0.207 0.000 1.145 9 P HA 0.163 nan 4.420 nan 0.000 0.235 9 P C 0.617 177.719 177.300 -0.330 0.000 1.670 9 P CA 0.716 63.663 63.100 -0.254 0.000 1.017 9 P CB 0.171 31.825 31.700 -0.077 0.000 1.945 10 A N 2.455 125.199 122.820 -0.126 0.000 1.892 10 A HA -0.222 3.580 4.320 -0.864 0.000 0.218 10 A C 2.387 180.081 177.584 0.183 0.000 1.188 10 A CA 1.179 53.313 52.037 0.162 0.000 0.631 10 A CB -0.510 18.663 19.000 0.288 0.000 0.822 10 A HN 0.162 nan 8.150 nan 0.000 0.447 11 R N -0.720 119.852 120.500 0.120 0.000 2.090 11 R HA -0.045 3.777 4.340 -0.864 0.000 0.228 11 R C 2.490 178.868 176.300 0.131 0.000 1.110 11 R CA 1.684 57.855 56.100 0.118 0.000 0.973 11 R CB -0.889 29.460 30.300 0.082 0.000 0.869 11 R HN 0.708 nan 8.270 nan 0.000 0.440 12 E N 0.622 120.903 120.200 0.135 0.000 2.005 12 E HA -0.234 3.598 4.350 -0.864 0.000 0.198 12 E C 1.739 178.480 176.600 0.234 0.000 1.010 12 E CA 1.548 58.060 56.400 0.187 0.000 0.825 12 E CB -1.197 28.637 29.700 0.224 0.000 0.769 12 E HN 0.374 nan 8.360 nan 0.000 0.456 13 F N 1.718 121.669 119.950 0.002 0.000 2.048 13 F HA -0.347 3.668 4.527 -0.854 0.000 0.296 13 F C 2.709 178.479 175.800 -0.050 0.000 1.109 13 F CA 2.904 60.651 58.000 -0.421 0.000 1.214 13 F CB -0.431 38.136 39.000 -0.721 0.000 0.963 13 F HN 0.285 nan 8.300 nan 0.000 0.491 14 Q N -0.672 119.304 119.800 0.292 0.000 2.325 14 Q HA -0.244 3.578 4.340 -0.864 0.000 0.211 14 Q C 2.294 178.365 176.000 0.118 0.000 0.988 14 Q CA 1.980 57.950 55.803 0.279 0.000 0.887 14 Q CB -0.238 28.631 28.738 0.217 0.000 0.915 14 Q HN 0.306 nan 8.270 nan 0.000 0.440 15 R N -0.196 120.344 120.500 0.067 0.000 2.128 15 R HA -0.011 3.810 4.340 -0.864 0.000 0.211 15 R C 1.479 177.804 176.300 0.041 0.000 1.067 15 R CA 0.885 57.026 56.100 0.068 0.000 1.010 15 R CB -0.315 30.034 30.300 0.082 0.000 0.922 15 R HN 0.448 nan 8.270 nan 0.000 0.457 16 D N 0.501 120.901 120.400 0.001 0.000 2.312 16 D HA -0.041 4.081 4.640 -0.864 0.000 0.211 16 D C 1.665 177.951 176.300 -0.023 0.000 0.964 16 D CA 0.764 54.773 54.000 0.014 0.000 0.877 16 D CB 0.159 40.997 40.800 0.062 0.000 0.924 16 D HN 0.137 nan 8.370 nan 0.000 0.515 17 L N 0.095 121.231 121.223 -0.145 0.000 2.200 17 L HA 0.091 3.913 4.340 -0.864 0.000 0.200 17 L C 2.097 179.043 176.870 0.126 0.000 1.072 17 L CA 0.781 55.548 54.840 -0.121 0.000 0.787 17 L CB -0.231 41.546 42.059 -0.470 0.000 0.957 17 L HN -0.134 nan 8.230 nan 0.000 0.459 18 L N 0.047 121.329 121.223 0.099 0.000 2.187 18 L HA -0.210 3.612 4.340 -0.864 0.000 0.213 18 L C 2.080 179.070 176.870 0.201 0.000 1.100 18 L CA 1.525 56.477 54.840 0.187 0.000 0.765 18 L CB -0.619 41.540 42.059 0.168 0.000 0.904 18 L HN 0.451 nan 8.230 nan 0.000 0.437 19 D N -0.533 119.962 120.400 0.159 0.000 2.085 19 D HA -0.274 3.847 4.640 -0.864 0.000 0.199 19 D C 1.985 178.375 176.300 0.150 0.000 0.981 19 D CA 1.102 55.179 54.000 0.127 0.000 0.834 19 D CB -0.257 40.608 40.800 0.108 0.000 0.992 19 D HN 0.302 nan 8.370 nan 0.000 0.457 20 W N -0.133 121.180 121.300 0.022 0.000 2.350 20 W HA -0.212 4.046 4.660 -0.671 0.000 0.289 20 W C 1.743 178.300 176.519 0.063 0.000 1.215 20 W CA 1.358 58.715 57.345 0.020 0.000 1.236 20 W CB -0.540 28.919 29.460 -0.001 0.000 1.130 20 W HN 0.078 nan 8.180 nan 0.000 0.541 21 F N 1.261 121.182 119.950 -0.049 0.000 2.163 21 F HA 0.005 4.386 4.527 -0.244 0.000 0.297 21 F C 2.322 177.949 175.800 -0.289 0.000 1.094 21 F CA 2.117 59.951 58.000 -0.276 0.000 1.290 21 F CB -1.074 37.931 39.000 0.008 0.000 1.017 21 F HN -0.078 nan 8.300 nan 0.000 0.483 22 A N 1.278 123.970 122.820 -0.213 0.000 1.978 22 A HA -0.212 3.589 4.320 -0.864 0.000 0.220 22 A C 2.166 179.546 177.584 -0.339 0.000 1.170 22 A CA 1.907 53.777 52.037 -0.279 0.000 0.636 22 A CB -0.751 18.189 19.000 -0.100 0.000 0.810 22 A HN 0.604 nan 8.150 nan 0.000 0.448 23 R N -1.775 118.523 120.500 -0.336 0.000 2.362 23 R HA 0.319 4.140 4.340 -0.864 0.000 0.227 23 R C 0.963 177.015 176.300 -0.412 0.000 0.905 23 R CA 0.841 56.756 56.100 -0.308 0.000 1.067 23 R CB 0.099 30.277 30.300 -0.202 0.000 1.078 23 R HN 0.329 nan 8.270 nan 0.000 0.516 24 E N 1.673 121.493 120.200 -0.633 0.000 2.541 24 E HA 0.072 3.904 4.350 -0.864 0.000 0.219 24 E C -0.287 175.960 176.600 -0.588 0.000 0.922 24 E CA -0.268 55.723 56.400 -0.680 0.000 1.095 24 E CB 0.540 29.533 29.700 -1.178 0.000 1.112 24 E HN 0.291 nan 8.360 nan 0.000 0.516 25 R N 1.376 121.461 120.500 -0.692 0.000 2.502 25 R HA 0.118 3.939 4.340 -0.864 0.000 0.292 25 R C -0.463 175.619 176.300 -0.362 0.000 0.998 25 R CA -0.065 55.666 56.100 -0.615 0.000 1.056 25 R CB 0.266 29.906 30.300 -1.100 0.000 0.939 25 R HN -0.115 nan 8.270 nan 0.000 0.411 26 R N 1.975 122.341 120.500 -0.224 0.000 2.643 26 R HA 0.010 3.832 4.340 -0.864 0.000 0.270 26 R C -0.396 175.771 176.300 -0.223 0.000 1.061 26 R CA -0.065 55.923 56.100 -0.186 0.000 1.107 26 R CB 0.450 30.674 30.300 -0.126 0.000 0.999 26 R HN 0.620 nan 8.270 nan 0.000 0.460 27 D N 3.600 123.870 120.400 -0.218 0.000 2.517 27 D HA 0.104 4.226 4.640 -0.864 0.000 0.220 27 D C -0.137 175.980 176.300 -0.305 0.000 1.158 27 D CA 0.175 54.036 54.000 -0.232 0.000 0.992 27 D CB 0.259 40.950 40.800 -0.182 0.000 1.058 27 D HN 0.204 nan 8.370 nan 0.000 0.516 28 L N 1.821 122.779 121.223 -0.442 0.000 2.379 28 L HA 0.233 4.055 4.340 -0.864 0.000 0.269 28 L C -1.070 175.320 176.870 -0.801 0.000 1.084 28 L CA -1.871 52.497 54.840 -0.786 0.000 0.802 28 L CB 0.925 42.251 42.059 -1.221 0.000 1.175 28 L HN -0.047 nan 8.230 nan 0.000 0.448 29 P HA -0.183 nan 4.420 nan 0.000 0.216 29 P C 0.842 178.003 177.300 -0.232 0.000 1.153 29 P CA 1.525 64.421 63.100 -0.340 0.000 0.858 29 P CB -0.023 31.623 31.700 -0.091 0.000 0.789 30 W N -1.185 119.901 121.300 -0.356 0.000 3.180 30 W HA 0.234 4.382 4.660 -0.854 0.000 0.254 30 W C 1.157 177.613 176.519 -0.106 0.000 1.318 30 W CA -0.173 56.976 57.345 -0.326 0.000 1.608 30 W CB -1.127 27.945 29.460 -0.646 0.000 1.124 30 W HN -0.174 nan 8.180 nan 0.000 0.694 31 R N 0.685 121.083 120.500 -0.171 0.000 2.393 31 R HA 0.163 3.984 4.340 -0.864 0.000 0.244 31 R C 1.439 177.715 176.300 -0.039 0.000 0.920 31 R CA -0.100 55.962 56.100 -0.063 0.000 1.076 31 R CB 0.066 30.280 30.300 -0.143 0.000 1.119 31 R HN 0.208 nan 8.270 nan 0.000 0.524 32 K N 0.809 121.200 120.400 -0.015 0.000 2.155 32 K HA -0.099 3.703 4.320 -0.864 0.000 0.203 32 K C 0.238 176.860 176.600 0.036 0.000 1.052 32 K CA 1.394 57.686 56.287 0.008 0.000 0.948 32 K CB 0.101 32.623 32.500 0.036 0.000 0.728 32 K HN 0.254 nan 8.250 nan 0.000 0.448 33 D N -2.963 117.478 120.400 0.068 0.000 2.664 33 D HA 0.127 4.249 4.640 -0.864 0.000 0.292 33 D C -0.362 175.982 176.300 0.073 0.000 1.214 33 D CA -0.883 53.157 54.000 0.067 0.000 0.932 33 D CB 0.925 41.773 40.800 0.080 0.000 1.420 33 D HN -0.353 nan 8.370 nan 0.000 0.471 34 R N -0.759 119.769 120.500 0.047 0.000 2.633 34 R HA 0.304 4.126 4.340 -0.864 0.000 0.348 34 R C -0.418 175.876 176.300 -0.011 0.000 1.100 34 R CA -0.415 55.695 56.100 0.017 0.000 1.068 34 R CB -1.143 29.150 30.300 -0.012 0.000 1.351 34 R HN 0.558 nan 8.270 nan 0.000 0.575 35 D N 1.264 121.695 120.400 0.051 0.000 2.434 35 D HA 0.081 4.203 4.640 -0.864 0.000 0.252 35 D C -1.430 174.914 176.300 0.074 0.000 1.185 35 D CA -2.105 51.938 54.000 0.071 0.000 0.886 35 D CB 1.613 42.506 40.800 0.155 0.000 1.148 35 D HN -0.001 nan 8.370 nan 0.000 0.483 36 P HA -0.191 nan 4.420 nan 0.000 0.216 36 P C 1.129 178.589 177.300 0.267 0.000 1.153 36 P CA 1.106 64.198 63.100 -0.014 0.000 0.858 36 P CB -0.152 31.465 31.700 -0.139 0.000 0.789 37 Y N 1.604 122.045 120.300 0.234 0.000 2.097 37 Y HA -0.233 3.801 4.550 -0.861 0.000 0.282 37 Y C 1.940 178.039 175.900 0.331 0.000 1.152 37 Y CA 1.789 60.086 58.100 0.328 0.000 1.136 37 Y CB -0.847 37.758 38.460 0.243 0.000 0.975 37 Y HN -0.168 nan 8.280 nan 0.000 0.498 38 K N -0.564 119.884 120.400 0.080 0.000 2.057 38 K HA -0.117 3.685 4.320 -0.864 0.000 0.206 38 K C 2.083 178.823 176.600 0.234 0.000 1.050 38 K CA 1.571 57.920 56.287 0.102 0.000 0.935 38 K CB -0.523 32.176 32.500 0.332 0.000 0.715 38 K HN 0.232 nan 8.250 nan 0.000 0.439 39 V N 0.652 120.687 119.914 0.201 0.000 2.332 39 V HA -0.240 3.362 4.120 -0.864 0.000 0.248 39 V C 2.007 178.211 176.094 0.183 0.000 1.055 39 V CA 1.645 64.033 62.300 0.147 0.000 1.038 39 V CB -0.526 31.352 31.823 0.091 0.000 0.651 39 V HN 0.497 nan 8.190 nan 0.000 0.450 40 W N 0.744 122.059 121.300 0.025 0.000 2.355 40 W HA -0.147 3.992 4.660 -0.868 0.000 0.309 40 W C 2.328 178.861 176.519 0.023 0.000 1.206 40 W CA 1.822 59.213 57.345 0.076 0.000 1.284 40 W CB -0.960 28.608 29.460 0.180 0.000 1.145 40 W HN 0.128 nan 8.180 nan 0.000 0.502 41 V N 1.692 121.622 119.914 0.026 0.000 2.287 41 V HA -0.359 3.243 4.120 -0.864 0.000 0.248 41 V C 2.761 178.845 176.094 -0.018 0.000 1.053 41 V CA 2.823 65.043 62.300 -0.133 0.000 1.027 41 V CB -1.632 30.052 31.823 -0.232 0.000 0.646 41 V HN 0.372 nan 8.190 nan 0.000 0.447 42 S N -0.297 115.408 115.700 0.009 0.000 2.368 42 S HA -0.213 3.739 4.470 -0.864 0.000 0.225 42 S C 1.841 176.208 174.600 -0.388 0.000 1.030 42 S CA 1.380 59.350 58.200 -0.383 0.000 0.999 42 S CB -0.416 62.248 63.200 -0.894 0.000 0.844 42 S HN 0.617 nan 8.310 nan 0.000 0.459 43 E N 1.072 121.191 120.200 -0.135 0.000 2.150 43 E HA 0.004 3.835 4.350 -0.864 0.000 0.193 43 E C 2.348 179.009 176.600 0.102 0.000 0.985 43 E CA 0.915 57.322 56.400 0.012 0.000 0.814 43 E CB -0.550 29.223 29.700 0.122 0.000 0.752 43 E HN 0.503 nan 8.360 nan 0.000 0.466 44 V N 1.294 121.289 119.914 0.136 0.000 2.358 44 V HA -0.215 3.387 4.120 -0.864 0.000 0.246 44 V C 2.440 178.626 176.094 0.154 0.000 1.047 44 V CA 1.441 63.840 62.300 0.166 0.000 1.035 44 V CB -0.452 31.456 31.823 0.143 0.000 0.658 44 V HN 0.234 nan 8.190 nan 0.000 0.452 45 M N -0.776 118.852 119.600 0.047 0.000 2.213 45 M HA -0.150 3.811 4.480 -0.864 0.000 0.263 45 M C 1.934 178.119 176.300 -0.192 0.000 1.062 45 M CA 1.784 56.985 55.300 -0.165 0.000 1.105 45 M CB -0.293 32.098 32.600 -0.349 0.000 1.385 45 M HN 0.280 nan 8.290 nan 0.000 0.417 46 L N -0.524 120.591 121.223 -0.181 0.000 2.554 46 L HA -0.026 3.795 4.340 -0.864 0.000 0.226 46 L C 0.566 177.375 176.870 -0.101 0.000 1.137 46 L CA -0.012 54.721 54.840 -0.178 0.000 0.863 46 L CB -0.187 41.736 42.059 -0.226 0.000 0.985 46 L HN 0.263 nan 8.230 nan 0.000 0.451 47 Q N 1.523 121.304 119.800 -0.033 0.000 2.244 47 Q HA -0.023 3.799 4.340 -0.864 0.000 0.276 47 Q C -0.048 175.959 176.000 0.011 0.000 1.122 47 Q CA 0.062 55.861 55.803 -0.007 0.000 0.920 47 Q CB 0.302 29.082 28.738 0.070 0.000 1.186 47 Q HN 0.131 nan 8.270 nan 0.000 0.393 48 Q N 0.043 119.827 119.800 -0.026 0.000 2.475 48 Q HA -0.172 3.650 4.340 -0.864 0.000 0.280 48 Q C -0.942 175.008 176.000 -0.084 0.000 1.234 48 Q CA 1.171 56.967 55.803 -0.013 0.000 0.873 48 Q CB -2.001 26.813 28.738 0.127 0.000 1.256 48 Q HN 0.716 nan 8.270 nan 0.000 0.475 49 T N 0.305 114.799 114.554 -0.099 0.000 3.172 49 T HA 0.384 4.216 4.350 -0.864 0.000 0.320 49 T C -0.038 174.606 174.700 -0.094 0.000 1.085 49 T CA -0.976 61.047 62.100 -0.128 0.000 1.052 49 T CB 1.622 70.379 68.868 -0.184 0.000 1.107 49 T HN 0.053 nan 8.240 nan 0.000 0.458 50 R N 1.876 122.337 120.500 -0.065 0.000 2.643 50 R HA 0.232 4.054 4.340 -0.864 0.000 0.270 50 R C 1.304 177.617 176.300 0.021 0.000 1.061 50 R CA -0.280 55.809 56.100 -0.019 0.000 1.107 50 R CB 0.516 30.811 30.300 -0.009 0.000 0.999 50 R HN 0.423 nan 8.270 nan 0.000 0.460 51 V N 2.813 122.774 119.914 0.078 0.000 2.282 51 V HA -0.329 3.273 4.120 -0.864 0.000 0.249 51 V C 2.889 179.098 176.094 0.191 0.000 1.057 51 V CA 2.730 65.152 62.300 0.203 0.000 1.032 51 V CB -0.847 31.120 31.823 0.240 0.000 0.645 51 V HN 0.970 nan 8.190 nan 0.000 0.447 52 E N -0.739 119.524 120.200 0.105 0.000 2.153 52 E HA -0.280 3.552 4.350 -0.864 0.000 0.194 52 E C 2.092 178.748 176.600 0.093 0.000 0.988 52 E CA 1.990 58.438 56.400 0.080 0.000 0.811 52 E CB -1.128 28.598 29.700 0.044 0.000 0.746 52 E HN 0.725 nan 8.360 nan 0.000 0.466 53 T N -0.016 114.588 114.554 0.083 0.000 2.812 53 T HA -0.045 3.787 4.350 -0.864 0.000 0.264 53 T C 2.184 176.986 174.700 0.169 0.000 1.042 53 T CA 1.175 63.332 62.100 0.096 0.000 1.140 53 T CB -0.071 68.809 68.868 0.021 0.000 0.870 53 T HN 0.285 nan 8.240 nan 0.000 0.445 54 V N 1.467 121.459 119.914 0.130 0.000 2.427 54 V HA -0.090 3.512 4.120 -0.864 0.000 0.248 54 V C 2.372 178.664 176.094 0.330 0.000 1.051 54 V CA 1.079 63.464 62.300 0.141 0.000 1.048 54 V CB -0.645 31.169 31.823 -0.015 0.000 0.666 54 V HN 0.471 nan 8.190 nan 0.000 0.456 55 I N 0.324 121.108 120.570 0.356 0.000 2.091 55 I HA -0.271 3.380 4.170 -0.864 0.000 0.240 55 I C -0.005 176.286 176.117 0.290 0.000 1.046 55 I CA 2.248 63.754 61.300 0.344 0.000 1.306 55 I CB -1.666 36.420 38.000 0.144 0.000 1.018 55 I HN 0.369 nan 8.210 nan 0.000 0.404 56 P HA -0.186 nan 4.420 nan 0.000 0.215 56 P C 1.487 178.814 177.300 0.045 0.000 1.153 56 P CA 1.669 64.801 63.100 0.053 0.000 0.853 56 P CB -0.144 31.515 31.700 -0.067 0.000 0.788 57 Y N -2.047 118.301 120.300 0.079 0.000 2.181 57 Y HA -0.181 3.849 4.550 -0.867 0.000 0.288 57 Y C 2.391 178.368 175.900 0.127 0.000 1.146 57 Y CA 1.320 59.444 58.100 0.040 0.000 1.164 57 Y CB -1.233 37.150 38.460 -0.127 0.000 0.982 57 Y HN -0.113 nan 8.280 nan 0.000 0.515 58 F N 1.114 121.189 119.950 0.208 0.000 2.134 58 F HA -0.200 3.817 4.527 -0.850 0.000 0.299 58 F C 2.104 178.046 175.800 0.236 0.000 1.097 58 F CA 1.766 59.890 58.000 0.207 0.000 1.264 58 F CB -0.296 38.888 39.000 0.306 0.000 1.001 58 F HN 0.060 nan 8.300 nan 0.000 0.479 59 E N -0.377 119.974 120.200 0.251 0.000 2.106 59 E HA -0.255 3.577 4.350 -0.864 0.000 0.192 59 E C 2.090 178.694 176.600 0.007 0.000 0.984 59 E CA 1.226 57.687 56.400 0.102 0.000 0.806 59 E CB -0.312 29.471 29.700 0.139 0.000 0.750 59 E HN 0.464 nan 8.360 nan 0.000 0.458 60 Q N 0.472 120.293 119.800 0.034 0.000 1.967 60 Q HA -0.170 3.652 4.340 -0.864 0.000 0.202 60 Q C 1.853 177.841 176.000 -0.020 0.000 0.985 60 Q CA 1.533 57.331 55.803 -0.008 0.000 0.839 60 Q CB -0.476 28.267 28.738 0.009 0.000 0.906 60 Q HN 0.233 nan 8.270 nan 0.000 0.423 61 F N 0.026 119.938 119.950 -0.063 0.000 2.063 61 F HA -0.285 3.724 4.527 -0.863 0.000 0.298 61 F C 1.709 177.468 175.800 -0.069 0.000 1.109 61 F CA 1.344 59.348 58.000 0.007 0.000 1.212 61 F CB -0.123 38.944 39.000 0.111 0.000 0.973 61 F HN 0.165 nan 8.300 nan 0.000 0.480 62 I N 0.260 120.846 120.570 0.026 0.000 2.546 62 I HA -0.217 3.435 4.170 -0.864 0.000 0.255 62 I C 2.025 178.103 176.117 -0.065 0.000 1.163 62 I CA 1.587 62.860 61.300 -0.045 0.000 1.457 62 I CB -1.585 36.219 38.000 -0.326 0.000 1.092 62 I HN 0.271 nan 8.210 nan 0.000 0.434 63 D N 0.730 121.061 120.400 -0.116 0.000 2.117 63 D HA -0.184 3.938 4.640 -0.864 0.000 0.198 63 D C 2.386 178.550 176.300 -0.227 0.000 0.982 63 D CA 1.256 55.181 54.000 -0.125 0.000 0.828 63 D CB 0.139 40.875 40.800 -0.108 0.000 0.967 63 D HN 0.115 nan 8.370 nan 0.000 0.464 64 R N -1.520 118.723 120.500 -0.428 0.000 2.119 64 R HA 0.066 3.887 4.340 -0.864 0.000 0.222 64 R C 0.037 175.782 176.300 -0.926 0.000 1.088 64 R CA 0.611 56.225 56.100 -0.809 0.000 0.984 64 R CB 0.166 29.688 30.300 -1.298 0.000 0.884 64 R HN 0.192 nan 8.270 nan 0.000 0.447 65 F N -0.553 119.290 119.950 -0.178 0.000 2.660 65 F HA 0.353 4.361 4.527 -0.865 0.000 0.352 65 F C -2.035 173.811 175.800 0.076 0.000 1.257 65 F CA -2.809 55.123 58.000 -0.114 0.000 1.200 65 F CB 1.587 40.435 39.000 -0.253 0.000 1.473 65 F HN -0.194 nan 8.300 nan 0.000 0.561 66 P HA -0.038 nan 4.420 nan 0.000 0.222 66 P C 0.410 177.832 177.300 0.204 0.000 1.147 66 P CA 1.289 64.492 63.100 0.172 0.000 0.790 66 P CB 0.218 31.961 31.700 0.071 0.000 0.780 67 T N -5.112 109.437 114.554 -0.009 0.000 2.901 67 T HA 0.349 4.181 4.350 -0.864 0.000 0.293 67 T C 0.686 174.825 174.700 -0.934 0.000 1.084 67 T CA -0.904 60.979 62.100 -0.361 0.000 1.008 67 T CB 1.113 69.889 68.868 -0.152 0.000 1.170 67 T HN -0.137 nan 8.240 nan 0.000 0.509 68 L N 0.865 121.356 121.223 -1.220 0.000 2.079 68 L HA 0.025 3.847 4.340 -0.864 0.000 0.210 68 L C 3.080 179.774 176.870 -0.293 0.000 1.081 68 L CA 2.606 56.961 54.840 -0.809 0.000 0.752 68 L CB -0.976 40.923 42.059 -0.266 0.000 0.896 68 L HN 1.048 nan 8.230 nan 0.000 0.433 69 E N 0.066 120.150 120.200 -0.194 0.000 2.058 69 E HA -0.244 3.588 4.350 -0.864 0.000 0.194 69 E C 2.135 178.699 176.600 -0.060 0.000 0.997 69 E CA 1.639 57.991 56.400 -0.080 0.000 0.801 69 E CB -1.153 28.519 29.700 -0.046 0.000 0.746 69 E HN 0.770 nan 8.360 nan 0.000 0.450 70 A N 0.032 122.816 122.820 -0.061 0.000 1.933 70 A HA 0.097 3.898 4.320 -0.864 0.000 0.218 70 A C 2.457 180.051 177.584 0.016 0.000 1.175 70 A CA 1.788 53.838 52.037 0.022 0.000 0.628 70 A CB -0.432 18.615 19.000 0.078 0.000 0.814 70 A HN 0.582 nan 8.150 nan 0.000 0.444 71 L N -0.264 120.916 121.223 -0.071 0.000 2.056 71 L HA -0.016 3.806 4.340 -0.864 0.000 0.207 71 L C 2.665 179.489 176.870 -0.077 0.000 1.078 71 L CA 2.111 56.807 54.840 -0.240 0.000 0.749 71 L CB -0.877 41.141 42.059 -0.069 0.000 0.901 71 L HN 0.337 nan 8.230 nan 0.000 0.433 72 A N -0.798 122.010 122.820 -0.020 0.000 1.908 72 A HA -0.221 3.581 4.320 -0.864 0.000 0.218 72 A C 1.857 179.448 177.584 0.012 0.000 1.181 72 A CA 1.981 54.015 52.037 -0.005 0.000 0.627 72 A CB -0.808 18.180 19.000 -0.019 0.000 0.818 72 A HN 0.554 nan 8.150 nan 0.000 0.445 73 D N -0.090 120.317 120.400 0.012 0.000 2.349 73 D HA 0.288 4.409 4.640 -0.864 0.000 0.224 73 D C 0.721 177.050 176.300 0.048 0.000 1.029 73 D CA 0.823 54.836 54.000 0.023 0.000 0.879 73 D CB -0.172 40.639 40.800 0.018 0.000 0.906 73 D HN 0.452 nan 8.370 nan 0.000 0.528 74 A N 0.613 123.467 122.820 0.057 0.000 2.302 74 A HA 0.261 4.063 4.320 -0.864 0.000 0.285 74 A C -0.108 177.512 177.584 0.061 0.000 1.105 74 A CA -0.567 51.486 52.037 0.026 0.000 0.816 74 A CB 0.578 19.477 19.000 -0.167 0.000 1.067 74 A HN -0.142 nan 8.150 nan 0.000 0.489 75 D N 0.768 121.194 120.400 0.043 0.000 2.443 75 D HA 0.240 4.362 4.640 -0.864 0.000 0.239 75 D C 0.954 177.263 176.300 0.015 0.000 1.136 75 D CA 0.415 54.446 54.000 0.051 0.000 0.879 75 D CB 0.701 41.525 40.800 0.040 0.000 1.195 75 D HN 0.636 nan 8.370 nan 0.000 0.443 76 E N 0.895 121.144 120.200 0.081 0.000 2.085 76 E HA -0.190 3.642 4.350 -0.864 0.000 0.194 76 E C 1.035 177.639 176.600 0.006 0.000 0.994 76 E CA 1.376 57.803 56.400 0.045 0.000 0.801 76 E CB 0.083 29.845 29.700 0.103 0.000 0.743 76 E HN 0.474 nan 8.360 nan 0.000 0.453 77 D N -0.024 120.409 120.400 0.055 0.000 2.117 77 D HA -0.183 3.938 4.640 -0.864 0.000 0.197 77 D C 1.725 178.060 176.300 0.058 0.000 0.987 77 D CA 1.152 55.203 54.000 0.086 0.000 0.829 77 D CB -0.166 40.695 40.800 0.101 0.000 0.961 77 D HN 0.244 nan 8.370 nan 0.000 0.460 78 E N 0.298 120.523 120.200 0.041 0.000 2.106 78 E HA -0.130 3.702 4.350 -0.864 0.000 0.192 78 E C 1.812 178.510 176.600 0.164 0.000 0.984 78 E CA 0.659 57.109 56.400 0.083 0.000 0.806 78 E CB 0.213 29.974 29.700 0.102 0.000 0.750 78 E HN 0.078 nan 8.360 nan 0.000 0.458 79 V N 1.739 121.670 119.914 0.029 0.000 2.488 79 V HA -0.178 3.424 4.120 -0.864 0.000 0.246 79 V C 2.300 178.498 176.094 0.174 0.000 1.046 79 V CA 1.017 63.300 62.300 -0.028 0.000 1.053 79 V CB -0.247 31.248 31.823 -0.548 0.000 0.679 79 V HN 0.443 nan 8.190 nan 0.000 0.458 80 L N 0.842 122.129 121.223 0.107 0.000 2.156 80 L HA -0.088 3.734 4.340 -0.864 0.000 0.208 80 L C 2.318 179.354 176.870 0.277 0.000 1.095 80 L CA 2.101 57.050 54.840 0.180 0.000 0.770 80 L CB -0.750 41.360 42.059 0.084 0.000 0.914 80 L HN 0.353 nan 8.230 nan 0.000 0.439 81 K N 0.825 121.357 120.400 0.220 0.000 2.217 81 K HA -0.004 3.798 4.320 -0.864 0.000 0.202 81 K C 1.847 178.622 176.600 0.292 0.000 1.051 81 K CA 1.415 57.828 56.287 0.211 0.000 0.952 81 K CB -0.256 32.311 32.500 0.111 0.000 0.736 81 K HN 0.295 nan 8.250 nan 0.000 0.453 82 A N -0.467 122.573 122.820 0.366 0.000 2.119 82 A HA -0.068 3.734 4.320 -0.864 0.000 0.216 82 A C 1.755 179.717 177.584 0.631 0.000 1.152 82 A CA 0.672 52.977 52.037 0.447 0.000 0.708 82 A CB -0.764 18.534 19.000 0.496 0.000 0.805 82 A HN 0.617 nan 8.150 nan 0.000 0.460 83 W N 0.893 122.436 121.300 0.405 0.000 3.278 83 W HA 0.166 4.308 4.660 -0.863 0.000 0.308 83 W C 0.253 177.022 176.519 0.417 0.000 1.253 83 W CA -0.123 57.434 57.345 0.352 0.000 1.759 83 W CB 0.102 29.736 29.460 0.291 0.000 1.093 83 W HN 0.389 nan 8.180 nan 0.000 0.648 84 E N 0.270 120.821 120.200 0.584 0.000 2.498 84 E HA 0.169 4.001 4.350 -0.864 0.000 0.252 84 E C 1.114 178.024 176.600 0.517 0.000 1.025 84 E CA 1.380 58.083 56.400 0.506 0.000 0.938 84 E CB 0.044 29.951 29.700 0.345 0.000 0.947 84 E HN 0.354 nan 8.360 nan 0.000 0.478 85 G N 3.728 112.831 108.800 0.505 0.000 2.195 85 G HA2 -0.260 3.182 3.960 -0.864 0.000 0.224 85 G HA3 -0.260 3.182 3.960 -0.864 0.000 0.224 85 G C 0.526 175.457 174.900 0.051 0.000 0.990 85 G CA 0.171 45.484 45.100 0.354 0.000 0.639 85 G HN 0.547 nan 8.290 nan 0.000 0.514 86 L N 1.112 122.161 121.223 -0.289 0.000 2.270 86 L HA 0.551 4.372 4.340 -0.864 0.000 0.210 86 L C 1.710 178.236 176.870 -0.575 0.000 1.104 86 L CA 2.622 56.992 54.840 -0.784 0.000 0.804 86 L CB -0.598 40.589 42.059 -1.454 0.000 0.937 86 L HN 1.847 nan 8.230 nan 0.000 0.450 87 G N -1.940 106.430 108.800 -0.716 0.000 2.756 87 G HA2 -0.274 3.168 3.960 -0.864 0.000 0.678 87 G HA3 -0.274 3.168 3.960 -0.864 0.000 0.678 87 G C -0.203 174.330 174.900 -0.612 0.000 1.349 87 G CA -0.401 44.252 45.100 -0.746 0.000 0.847 87 G HN 0.204 nan 8.290 nan 0.000 0.548 88 Y N -0.943 119.163 120.300 -0.323 0.000 2.993 88 Y HA -0.281 3.750 4.550 -0.865 0.000 0.206 88 Y C 1.645 177.479 175.900 -0.110 0.000 1.256 88 Y CA 0.801 58.828 58.100 -0.121 0.000 0.808 88 Y CB -1.204 37.225 38.460 -0.051 0.000 1.211 88 Y HN 0.609 nan 8.280 nan 0.000 0.417 89 Y N -1.305 119.144 120.300 0.248 0.000 2.571 89 Y HA -0.197 3.836 4.550 -0.862 0.000 0.294 89 Y C 2.125 177.965 175.900 -0.099 0.000 1.141 89 Y CA 1.095 59.246 58.100 0.085 0.000 1.308 89 Y CB 0.028 38.554 38.460 0.111 0.000 1.002 89 Y HN 0.346 nan 8.280 nan 0.000 0.551 90 S N -0.177 115.559 115.700 0.061 0.000 2.419 90 S HA -0.164 3.788 4.470 -0.864 0.000 0.233 90 S C 2.000 176.519 174.600 -0.134 0.000 1.016 90 S CA 0.799 58.974 58.200 -0.041 0.000 0.974 90 S CB -0.172 63.004 63.200 -0.041 0.000 0.786 90 S HN 0.471 nan 8.310 nan 0.000 0.492 91 R N 0.298 120.705 120.500 -0.155 0.000 2.096 91 R HA -0.079 3.742 4.340 -0.864 0.000 0.240 91 R C 2.287 178.278 176.300 -0.515 0.000 1.139 91 R CA 1.470 57.435 56.100 -0.225 0.000 0.952 91 R CB -0.735 29.535 30.300 -0.049 0.000 0.854 91 R HN 0.302 nan 8.270 nan 0.000 0.436 92 V N 0.634 120.004 119.914 -0.907 0.000 2.591 92 V HA -0.150 3.451 4.120 -0.864 0.000 0.249 92 V C 2.038 177.885 176.094 -0.410 0.000 1.053 92 V CA 1.382 63.069 62.300 -1.022 0.000 1.068 92 V CB -0.209 30.780 31.823 -1.391 0.000 0.689 92 V HN 0.148 nan 8.190 nan 0.000 0.462 93 R N 1.053 121.395 120.500 -0.263 0.000 2.082 93 R HA -0.131 3.690 4.340 -0.864 0.000 0.234 93 R C 2.052 178.300 176.300 -0.086 0.000 1.136 93 R CA 2.663 58.697 56.100 -0.111 0.000 0.935 93 R CB -0.969 29.284 30.300 -0.079 0.000 0.842 93 R HN 0.705 nan 8.270 nan 0.000 0.430 94 N N -0.378 118.256 118.700 -0.110 0.000 2.166 94 N HA -0.166 4.056 4.740 -0.864 0.000 0.186 94 N C 1.433 176.910 175.510 -0.054 0.000 1.019 94 N CA 0.924 53.935 53.050 -0.066 0.000 0.856 94 N CB -0.132 38.322 38.487 -0.055 0.000 0.993 94 N HN 0.044 nan 8.380 nan 0.000 0.426 95 L N 0.581 121.721 121.223 -0.137 0.000 2.072 95 L HA -0.118 3.703 4.340 -0.864 0.000 0.205 95 L C 2.089 178.880 176.870 -0.131 0.000 1.079 95 L CA 1.717 56.435 54.840 -0.203 0.000 0.752 95 L CB -0.833 41.012 42.059 -0.356 0.000 0.906 95 L HN 0.257 nan 8.230 nan 0.000 0.436 96 H N -0.761 118.191 119.070 -0.195 0.000 2.293 96 H HA -0.155 3.882 4.556 -0.864 0.000 0.300 96 H C 1.997 177.271 175.328 -0.090 0.000 1.082 96 H CA 1.208 57.169 56.048 -0.146 0.000 1.308 96 H CB 0.309 29.985 29.762 -0.144 0.000 1.375 96 H HN 0.497 nan 8.280 nan 0.000 0.495 97 A N 1.019 123.789 122.820 -0.084 0.000 1.902 97 A HA -0.119 3.682 4.320 -0.864 0.000 0.217 97 A C 2.583 180.154 177.584 -0.021 0.000 1.181 97 A CA 1.553 53.526 52.037 -0.108 0.000 0.623 97 A CB -0.975 17.987 19.000 -0.063 0.000 0.818 97 A HN 0.592 nan 8.150 nan 0.000 0.443 98 A N -0.877 121.971 122.820 0.047 0.000 1.930 98 A HA 0.038 3.839 4.320 -0.864 0.000 0.217 98 A C 2.236 179.971 177.584 0.252 0.000 1.175 98 A CA 1.679 53.832 52.037 0.193 0.000 0.627 98 A CB -0.779 18.427 19.000 0.343 0.000 0.815 98 A HN 0.362 nan 8.150 nan 0.000 0.443 99 V N -0.082 119.889 119.914 0.095 0.000 2.379 99 V HA -0.216 3.386 4.120 -0.864 0.000 0.245 99 V C 2.408 178.554 176.094 0.087 0.000 1.044 99 V CA 2.224 64.585 62.300 0.102 0.000 1.036 99 V CB -0.507 31.311 31.823 -0.010 0.000 0.664 99 V HN 0.549 nan 8.190 nan 0.000 0.453 100 K N -0.218 120.173 120.400 -0.015 0.000 2.152 100 K HA -0.260 3.542 4.320 -0.864 0.000 0.206 100 K C 2.078 178.691 176.600 0.021 0.000 1.048 100 K CA 1.815 58.074 56.287 -0.048 0.000 0.933 100 K CB -0.058 32.346 32.500 -0.159 0.000 0.721 100 K HN 0.487 nan 8.250 nan 0.000 0.447 101 E N 0.450 120.695 120.200 0.075 0.000 2.170 101 E HA -0.078 3.754 4.350 -0.864 0.000 0.191 101 E C 1.600 178.327 176.600 0.213 0.000 0.981 101 E CA 0.582 57.047 56.400 0.109 0.000 0.830 101 E CB 0.179 29.954 29.700 0.127 0.000 0.775 101 E HN -0.043 nan 8.360 nan 0.000 0.470 102 V N 1.041 121.144 119.914 0.314 0.000 2.548 102 V HA -0.151 3.451 4.120 -0.864 0.000 0.249 102 V C 2.336 178.607 176.094 0.295 0.000 1.055 102 V CA 1.749 64.312 62.300 0.439 0.000 1.065 102 V CB -0.386 31.709 31.823 0.453 0.000 0.681 102 V HN 0.270 nan 8.190 nan 0.000 0.462 103 K N 0.561 121.065 120.400 0.173 0.000 1.974 103 K HA -0.164 3.637 4.320 -0.864 0.000 0.211 103 K C 2.405 179.041 176.600 0.061 0.000 1.039 103 K CA 2.017 58.365 56.287 0.102 0.000 0.947 103 K CB -0.584 31.947 32.500 0.052 0.000 0.735 103 K HN 0.582 nan 8.250 nan 0.000 0.441 104 T N -0.482 114.086 114.554 0.023 0.000 2.737 104 T HA -0.227 3.604 4.350 -0.864 0.000 0.269 104 T C 2.074 176.741 174.700 -0.056 0.000 1.040 104 T CA 1.720 63.811 62.100 -0.015 0.000 1.142 104 T CB -0.274 68.577 68.868 -0.028 0.000 0.861 104 T HN 0.358 nan 8.240 nan 0.000 0.456 105 R N -0.376 120.064 120.500 -0.100 0.000 2.090 105 R HA 0.111 3.932 4.340 -0.864 0.000 0.219 105 R C 1.183 177.259 176.300 -0.372 0.000 1.100 105 R CA 0.610 56.526 56.100 -0.306 0.000 0.991 105 R CB 0.002 29.985 30.300 -0.528 0.000 0.893 105 R HN 0.491 nan 8.270 nan 0.000 0.443 106 Y N -0.207 120.123 120.300 0.050 0.000 2.584 106 Y HA 0.390 4.423 4.550 -0.862 0.000 0.254 106 Y C 0.733 176.664 175.900 0.051 0.000 1.177 106 Y CA -0.072 58.059 58.100 0.052 0.000 1.216 106 Y CB 1.217 39.721 38.460 0.073 0.000 1.172 106 Y HN 0.352 nan 8.280 nan 0.000 0.529 107 G N 0.630 109.513 108.800 0.138 0.000 2.323 107 G HA2 -0.085 3.357 3.960 -0.864 0.000 0.292 107 G HA3 -0.085 3.357 3.960 -0.864 0.000 0.292 107 G C 1.281 176.251 174.900 0.117 0.000 1.040 107 G CA 0.479 45.639 45.100 0.101 0.000 0.942 107 G HN 1.124 nan 8.290 nan 0.000 0.506 108 G N -1.056 107.830 108.800 0.142 0.000 2.212 108 G HA2 -0.234 3.207 3.960 -0.864 0.000 0.266 108 G HA3 -0.234 3.207 3.960 -0.864 0.000 0.266 108 G C 0.556 175.552 174.900 0.159 0.000 0.978 108 G CA 1.400 46.578 45.100 0.130 0.000 0.632 108 G HN 1.792 nan 8.290 nan 0.000 0.537 109 K N 0.929 121.433 120.400 0.172 0.000 2.205 109 K HA 0.584 4.385 4.320 -0.864 0.000 0.279 109 K C 0.373 177.067 176.600 0.157 0.000 1.027 109 K CA -0.547 55.836 56.287 0.160 0.000 0.932 109 K CB 1.378 33.952 32.500 0.124 0.000 1.032 109 K HN 0.159 nan 8.250 nan 0.000 0.466 110 V N 7.952 127.975 119.914 0.181 0.000 2.415 110 V HA 0.167 3.769 4.120 -0.864 0.000 0.267 110 V C -1.985 174.062 176.094 -0.078 0.000 1.042 110 V CA -1.648 60.724 62.300 0.121 0.000 1.000 110 V CB 0.378 32.305 31.823 0.173 0.000 1.015 110 V HN 0.873 nan 8.190 nan 0.000 0.478 111 P HA -0.043 nan 4.420 nan 0.000 0.263 111 P C 0.168 177.195 177.300 -0.455 0.000 1.168 111 P CA 0.370 63.207 63.100 -0.439 0.000 0.759 111 P CB 0.370 31.745 31.700 -0.541 0.000 0.782 112 D N 0.620 120.685 120.400 -0.559 0.000 2.395 112 D HA 0.036 4.158 4.640 -0.864 0.000 0.213 112 D C -0.357 175.707 176.300 -0.394 0.000 1.110 112 D CA 0.054 53.598 54.000 -0.760 0.000 0.835 112 D CB -0.249 39.770 40.800 -1.303 0.000 0.965 112 D HN 0.267 nan 8.370 nan 0.000 0.505 113 D N 0.609 120.855 120.400 -0.258 0.000 2.280 113 D HA 0.233 4.355 4.640 -0.864 0.000 0.236 113 D C -1.682 174.584 176.300 -0.056 0.000 1.082 113 D CA -2.165 51.754 54.000 -0.135 0.000 0.834 113 D CB 2.252 42.993 40.800 -0.098 0.000 1.100 113 D HN -0.309 nan 8.370 nan 0.000 0.486 114 P HA -0.158 nan 4.420 nan 0.000 0.216 114 P C 0.154 177.476 177.300 0.036 0.000 1.154 114 P CA 1.314 64.433 63.100 0.032 0.000 0.865 114 P CB 0.201 31.908 31.700 0.011 0.000 0.789 115 D N -1.284 119.122 120.400 0.011 0.000 2.149 115 D HA -0.085 4.037 4.640 -0.864 0.000 0.201 115 D C 2.308 178.616 176.300 0.015 0.000 0.972 115 D CA 1.571 55.577 54.000 0.009 0.000 0.835 115 D CB -0.589 40.214 40.800 0.005 0.000 0.966 115 D HN 0.243 nan 8.370 nan 0.000 0.476 116 E N 0.408 120.617 120.200 0.016 0.000 2.112 116 E HA -0.054 3.778 4.350 -0.864 0.000 0.190 116 E C 1.634 178.248 176.600 0.023 0.000 0.979 116 E CA 0.317 56.731 56.400 0.024 0.000 0.814 116 E CB -1.063 28.627 29.700 -0.016 0.000 0.762 116 E HN 0.291 nan 8.360 nan 0.000 0.460 117 F N 1.247 121.093 119.950 -0.173 0.000 2.146 117 F HA -0.019 3.989 4.527 -0.865 0.000 0.298 117 F C 2.674 178.378 175.800 -0.159 0.000 1.096 117 F CA 1.715 59.581 58.000 -0.224 0.000 1.275 117 F CB -0.406 38.438 39.000 -0.260 0.000 1.008 117 F HN 0.211 nan 8.300 nan 0.000 0.480 118 S N 0.054 115.673 115.700 -0.135 0.000 2.447 118 S HA -0.133 3.819 4.470 -0.864 0.000 0.233 118 S C 2.348 176.864 174.600 -0.140 0.000 1.006 118 S CA 1.179 59.269 58.200 -0.184 0.000 0.957 118 S CB -0.398 62.757 63.200 -0.075 0.000 0.773 118 S HN 0.482 nan 8.310 nan 0.000 0.507 119 R N 0.660 121.113 120.500 -0.078 0.000 2.280 119 R HA 0.353 4.175 4.340 -0.864 0.000 0.207 119 R C 0.968 177.249 176.300 -0.032 0.000 1.043 119 R CA 0.773 56.855 56.100 -0.031 0.000 1.006 119 R CB -1.216 29.095 30.300 0.019 0.000 0.885 119 R HN 0.554 nan 8.270 nan 0.000 0.467 120 L N 1.495 122.668 121.223 -0.083 0.000 2.439 120 L HA 0.198 4.020 4.340 -0.864 0.000 0.269 120 L C 0.190 177.039 176.870 -0.035 0.000 1.179 120 L CA -0.461 54.359 54.840 -0.033 0.000 0.828 120 L CB 1.159 43.184 42.059 -0.057 0.000 1.106 120 L HN 0.272 nan 8.230 nan 0.000 0.467 121 K N 1.598 122.013 120.400 0.025 0.000 2.416 121 K HA 0.212 4.014 4.320 -0.864 0.000 0.283 121 K C 0.912 177.527 176.600 0.025 0.000 1.037 121 K CA 0.824 57.117 56.287 0.010 0.000 0.995 121 K CB 0.473 32.978 32.500 0.008 0.000 0.938 121 K HN 0.891 nan 8.250 nan 0.000 0.475 122 G N 1.275 110.071 108.800 -0.006 0.000 2.195 122 G HA2 -0.237 3.205 3.960 -0.864 0.000 0.246 122 G HA3 -0.237 3.205 3.960 -0.864 0.000 0.246 122 G C -0.032 174.877 174.900 0.014 0.000 0.984 122 G CA -0.145 44.960 45.100 0.008 0.000 0.633 122 G HN 0.434 nan 8.290 nan 0.000 0.525 123 V N 1.999 121.878 119.914 -0.058 0.000 2.320 123 V HA 0.671 4.273 4.120 -0.864 0.000 0.265 123 V C 1.210 177.225 176.094 -0.132 0.000 1.048 123 V CA 0.103 62.301 62.300 -0.171 0.000 0.865 123 V CB 0.587 32.091 31.823 -0.531 0.000 1.043 123 V HN 0.652 nan 8.190 nan 0.000 0.474 124 G N 5.250 114.021 108.800 -0.047 0.000 2.583 124 G HA2 0.465 3.907 3.960 -0.864 0.000 0.280 124 G HA3 0.465 3.907 3.960 -0.864 0.000 0.280 124 G C -1.672 173.228 174.900 0.001 0.000 1.376 124 G CA -1.031 44.060 45.100 -0.015 0.000 1.043 124 G HN 0.504 nan 8.290 nan 0.000 0.538 125 P HA -0.152 nan 4.420 nan 0.000 0.215 125 P C 1.371 178.712 177.300 0.069 0.000 1.157 125 P CA 1.125 64.253 63.100 0.046 0.000 0.868 125 P CB -0.049 31.689 31.700 0.064 0.000 0.788 126 Y N 0.383 120.688 120.300 0.009 0.000 2.145 126 Y HA -0.190 3.838 4.550 -0.870 0.000 0.286 126 Y C 2.135 178.051 175.900 0.028 0.000 1.145 126 Y CA 2.187 60.296 58.100 0.016 0.000 1.148 126 Y CB -1.217 37.248 38.460 0.010 0.000 0.981 126 Y HN -0.130 nan 8.280 nan 0.000 0.507 127 T N 0.063 114.584 114.554 -0.053 0.000 2.788 127 T HA -0.169 3.663 4.350 -0.864 0.000 0.268 127 T C 2.073 176.740 174.700 -0.054 0.000 1.044 127 T CA 1.508 63.548 62.100 -0.100 0.000 1.139 127 T CB -0.740 68.162 68.868 0.057 0.000 0.867 127 T HN 0.225 nan 8.240 nan 0.000 0.454 128 V N 1.555 121.457 119.914 -0.019 0.000 2.252 128 V HA -0.182 3.419 4.120 -0.864 0.000 0.249 128 V C 2.847 178.959 176.094 0.029 0.000 1.056 128 V CA 2.179 64.553 62.300 0.122 0.000 1.022 128 V CB -1.432 30.425 31.823 0.058 0.000 0.641 128 V HN 0.595 nan 8.190 nan 0.000 0.445 129 G N -0.656 108.096 108.800 -0.080 0.000 2.480 129 G HA2 -0.245 3.197 3.960 -0.864 0.000 0.216 129 G HA3 -0.245 3.197 3.960 -0.864 0.000 0.216 129 G C 1.805 176.599 174.900 -0.176 0.000 1.200 129 G CA 1.349 46.380 45.100 -0.115 0.000 0.782 129 G HN 0.642 nan 8.290 nan 0.000 0.554 130 A N -0.019 122.587 122.820 -0.356 0.000 1.859 130 A HA -0.049 3.752 4.320 -0.864 0.000 0.217 130 A C 2.657 180.145 177.584 -0.162 0.000 1.198 130 A CA 2.548 54.383 52.037 -0.335 0.000 0.629 130 A CB -0.936 17.702 19.000 -0.603 0.000 0.830 130 A HN 0.359 nan 8.150 nan 0.000 0.446 131 V N -0.084 119.759 119.914 -0.118 0.000 2.307 131 V HA -0.227 3.375 4.120 -0.864 0.000 0.245 131 V C 2.582 178.559 176.094 -0.195 0.000 1.045 131 V CA 1.913 64.144 62.300 -0.116 0.000 1.024 131 V CB -0.824 30.944 31.823 -0.090 0.000 0.651 131 V HN 0.542 nan 8.190 nan 0.000 0.449 132 L N 0.756 121.868 121.223 -0.186 0.000 2.056 132 L HA -0.132 3.689 4.340 -0.864 0.000 0.207 132 L C 2.805 179.658 176.870 -0.028 0.000 1.078 132 L CA 1.841 56.614 54.840 -0.112 0.000 0.749 132 L CB -0.701 41.292 42.059 -0.110 0.000 0.901 132 L HN 0.575 nan 8.230 nan 0.000 0.433 133 S N 0.130 115.802 115.700 -0.047 0.000 2.355 133 S HA -0.155 3.797 4.470 -0.864 0.000 0.222 133 S C 1.965 176.551 174.600 -0.022 0.000 1.031 133 S CA 0.868 59.054 58.200 -0.024 0.000 0.993 133 S CB -0.717 62.464 63.200 -0.031 0.000 0.859 133 S HN 0.318 nan 8.310 nan 0.000 0.453 134 L N 0.953 122.149 121.223 -0.044 0.000 2.141 134 L HA 0.098 3.919 4.340 -0.864 0.000 0.209 134 L C 2.934 179.765 176.870 -0.064 0.000 1.094 134 L CA 1.234 56.057 54.840 -0.028 0.000 0.763 134 L CB -0.450 41.601 42.059 -0.013 0.000 0.908 134 L HN 0.540 nan 8.230 nan 0.000 0.437 135 A N -2.368 120.359 122.820 -0.155 0.000 2.140 135 A HA 0.056 3.857 4.320 -0.864 0.000 0.209 135 A C 1.542 178.873 177.584 -0.422 0.000 1.181 135 A CA 0.378 52.226 52.037 -0.315 0.000 0.824 135 A CB -0.038 18.679 19.000 -0.472 0.000 0.879 135 A HN 0.406 nan 8.150 nan 0.000 0.480 136 Y N -2.282 117.975 120.300 -0.072 0.000 2.423 136 Y HA 0.360 4.394 4.550 -0.860 0.000 0.257 136 Y C 1.844 177.716 175.900 -0.047 0.000 1.087 136 Y CA 0.303 58.361 58.100 -0.071 0.000 1.258 136 Y CB 1.145 39.533 38.460 -0.120 0.000 1.237 136 Y HN 0.410 nan 8.280 nan 0.000 0.517 137 G N 0.491 109.346 108.800 0.091 0.000 2.217 137 G HA2 -0.288 3.154 3.960 -0.864 0.000 0.246 137 G HA3 -0.288 3.154 3.960 -0.864 0.000 0.246 137 G C 0.032 174.956 174.900 0.041 0.000 0.990 137 G CA 0.048 45.182 45.100 0.057 0.000 0.627 137 G HN 0.044 nan 8.290 nan 0.000 0.522 138 V N 2.282 122.222 119.914 0.044 0.000 2.584 138 V HA 0.251 3.853 4.120 -0.864 0.000 0.303 138 V C -1.339 174.752 176.094 -0.005 0.000 1.035 138 V CA 0.328 62.636 62.300 0.013 0.000 1.172 138 V CB 0.814 32.632 31.823 -0.008 0.000 0.896 138 V HN 0.233 nan 8.190 nan 0.000 0.486 139 P HA 0.271 nan 4.420 nan 0.000 0.225 139 P C -0.264 177.002 177.300 -0.057 0.000 1.813 139 P CA -0.036 63.025 63.100 -0.064 0.000 1.013 139 P CB 0.184 31.856 31.700 -0.047 0.000 1.961 140 E N 2.807 122.982 120.200 -0.041 0.000 2.191 140 E HA 0.344 4.175 4.350 -0.864 0.000 0.274 140 E C -2.346 174.238 176.600 -0.027 0.000 0.948 140 E CA -2.372 54.013 56.400 -0.024 0.000 0.802 140 E CB 1.358 31.051 29.700 -0.012 0.000 1.137 140 E HN 0.208 nan 8.360 nan 0.000 0.397 141 P HA 0.123 nan 4.420 nan 0.000 0.271 141 P C -1.040 176.269 177.300 0.015 0.000 1.218 141 P CA -0.302 62.813 63.100 0.025 0.000 0.780 141 P CB 0.691 32.423 31.700 0.053 0.000 0.901 142 A N 3.136 125.972 122.820 0.026 0.000 2.802 142 A HA 0.399 4.200 4.320 -0.864 0.000 0.344 142 A C -0.413 177.313 177.584 0.238 0.000 1.215 142 A CA -0.582 51.460 52.037 0.008 0.000 0.821 142 A CB -0.030 18.866 19.000 -0.173 0.000 1.099 142 A HN 0.293 nan 8.150 nan 0.000 0.479 143 V N 3.956 124.024 119.914 0.257 0.000 2.353 143 V HA 0.277 3.879 4.120 -0.864 0.000 0.264 143 V C -0.038 176.157 176.094 0.169 0.000 1.049 143 V CA -0.389 62.019 62.300 0.180 0.000 0.896 143 V CB 0.413 32.312 31.823 0.126 0.000 1.025 143 V HN 0.930 nan 8.190 nan 0.000 0.475 144 D N 4.075 124.482 120.400 0.011 0.000 2.588 144 D HA 0.345 4.467 4.640 -0.864 0.000 0.268 144 D C 1.452 177.657 176.300 -0.157 0.000 1.176 144 D CA -0.030 53.823 54.000 -0.244 0.000 1.080 144 D CB 1.097 41.565 40.800 -0.554 0.000 1.186 144 D HN 0.319 nan 8.370 nan 0.000 0.619 145 G N -0.478 108.223 108.800 -0.165 0.000 2.442 145 G HA2 -0.293 3.149 3.960 -0.864 0.000 0.219 145 G HA3 -0.293 3.149 3.960 -0.864 0.000 0.219 145 G C 1.246 176.076 174.900 -0.117 0.000 1.141 145 G CA 0.580 45.613 45.100 -0.113 0.000 0.763 145 G HN 0.485 nan 8.290 nan 0.000 0.554 146 N N 0.454 119.085 118.700 -0.115 0.000 2.058 146 N HA -0.115 4.107 4.740 -0.864 0.000 0.191 146 N C 2.394 177.823 175.510 -0.135 0.000 1.037 146 N CA 1.437 54.427 53.050 -0.100 0.000 0.848 146 N CB -0.596 37.849 38.487 -0.069 0.000 1.021 146 N HN 0.186 nan 8.380 nan 0.000 0.422 147 V N 2.386 122.215 119.914 -0.143 0.000 2.287 147 V HA -0.224 3.377 4.120 -0.864 0.000 0.248 147 V C 2.483 178.358 176.094 -0.365 0.000 1.053 147 V CA 1.436 63.624 62.300 -0.186 0.000 1.027 147 V CB -0.467 31.284 31.823 -0.120 0.000 0.646 147 V HN 0.286 nan 8.190 nan 0.000 0.447 148 M N -0.596 118.743 119.600 -0.435 0.000 2.108 148 M HA -0.237 3.725 4.480 -0.864 0.000 0.261 148 M C 2.446 178.407 176.300 -0.567 0.000 1.066 148 M CA 2.112 56.921 55.300 -0.818 0.000 1.107 148 M CB -0.640 31.743 32.600 -0.362 0.000 1.356 148 M HN 0.249 nan 8.290 nan 0.000 0.406 149 R N 0.441 120.784 120.500 -0.262 0.000 2.081 149 R HA -0.112 3.710 4.340 -0.864 0.000 0.235 149 R C 1.914 178.134 176.300 -0.134 0.000 1.131 149 R CA 1.403 57.421 56.100 -0.137 0.000 0.960 149 R CB -0.183 30.064 30.300 -0.087 0.000 0.856 149 R HN 0.191 nan 8.270 nan 0.000 0.436 150 V N 1.304 121.117 119.914 -0.168 0.000 2.270 150 V HA -0.226 3.376 4.120 -0.864 0.000 0.245 150 V C 2.363 178.388 176.094 -0.116 0.000 1.043 150 V CA 1.690 63.912 62.300 -0.131 0.000 1.014 150 V CB -0.377 31.368 31.823 -0.131 0.000 0.645 150 V HN 0.343 nan 8.190 nan 0.000 0.447 151 L N 0.875 121.996 121.223 -0.169 0.000 2.141 151 L HA -0.130 3.692 4.340 -0.864 0.000 0.209 151 L C 2.657 179.634 176.870 0.179 0.000 1.094 151 L CA 1.759 56.597 54.840 -0.003 0.000 0.763 151 L CB -0.761 41.261 42.059 -0.061 0.000 0.908 151 L HN 0.562 nan 8.230 nan 0.000 0.437 152 S N -0.336 115.413 115.700 0.082 0.000 2.474 152 S HA -0.122 3.830 4.470 -0.864 0.000 0.235 152 S C 1.985 176.678 174.600 0.155 0.000 0.997 152 S CA 0.591 58.962 58.200 0.286 0.000 0.949 152 S CB -0.070 63.303 63.200 0.287 0.000 0.766 152 S HN 0.410 nan 8.310 nan 0.000 0.517 153 R N 0.164 120.699 120.500 0.059 0.000 2.103 153 R HA 0.407 4.229 4.340 -0.864 0.000 0.212 153 R C 2.287 178.579 176.300 -0.014 0.000 1.107 153 R CA 0.679 56.797 56.100 0.031 0.000 1.025 153 R CB -0.474 29.827 30.300 0.002 0.000 0.929 153 R HN 0.304 nan 8.270 nan 0.000 0.456 154 L N -0.073 121.081 121.223 -0.116 0.000 2.129 154 L HA -0.158 3.664 4.340 -0.864 0.000 0.212 154 L C 1.052 177.611 176.870 -0.518 0.000 1.087 154 L CA 1.477 56.102 54.840 -0.358 0.000 0.757 154 L CB -0.059 41.631 42.059 -0.615 0.000 0.896 154 L HN 0.181 nan 8.230 nan 0.000 0.434 155 F N -2.038 117.923 119.950 0.019 0.000 2.729 155 F HA 0.245 4.254 4.527 -0.864 0.000 0.315 155 F C 0.620 176.441 175.800 0.035 0.000 1.102 155 F CA -0.693 57.308 58.000 0.002 0.000 1.204 155 F CB 0.442 39.416 39.000 -0.044 0.000 1.052 155 F HN -0.250 nan 8.300 nan 0.000 0.551 156 L N 0.788 122.116 121.223 0.174 0.000 3.717 156 L HA -0.205 3.617 4.340 -0.864 0.000 0.414 156 L C -0.542 176.405 176.870 0.128 0.000 1.228 156 L CA -0.006 54.911 54.840 0.129 0.000 0.918 156 L CB -1.778 40.342 42.059 0.102 0.000 1.865 156 L HN -0.110 nan 8.230 nan 0.000 0.922 157 V N 0.540 120.557 119.914 0.171 0.000 2.439 157 V HA 0.244 3.845 4.120 -0.864 0.000 0.271 157 V C 1.711 177.862 176.094 0.095 0.000 1.040 157 V CA 0.669 63.036 62.300 0.113 0.000 1.002 157 V CB 0.933 32.828 31.823 0.120 0.000 1.000 157 V HN 0.633 nan 8.190 nan 0.000 0.477 158 T N -0.223 114.357 114.554 0.043 0.000 3.069 158 T HA 0.118 3.949 4.350 -0.864 0.000 0.252 158 T C 0.329 175.039 174.700 0.015 0.000 1.053 158 T CA -0.506 61.617 62.100 0.039 0.000 0.964 158 T CB -0.173 68.712 68.868 0.028 0.000 1.005 158 T HN 0.564 nan 8.240 nan 0.000 0.532 159 D N 3.427 123.815 120.400 -0.022 0.000 2.488 159 D HA 0.079 4.201 4.640 -0.864 0.000 0.238 159 D C 0.038 176.331 176.300 -0.011 0.000 1.138 159 D CA 0.194 54.166 54.000 -0.047 0.000 0.873 159 D CB 0.442 41.167 40.800 -0.124 0.000 1.183 159 D HN 0.249 nan 8.370 nan 0.000 0.458 160 D N 1.721 122.119 120.400 -0.004 0.000 2.412 160 D HA -0.052 4.069 4.640 -0.864 0.000 0.257 160 D C 1.504 177.824 176.300 0.032 0.000 1.217 160 D CA -0.235 53.777 54.000 0.020 0.000 0.897 160 D CB 0.414 41.221 40.800 0.013 0.000 1.132 160 D HN 0.439 nan 8.370 nan 0.000 0.493 161 I N 1.656 122.275 120.570 0.082 0.000 2.756 161 I HA -0.083 3.568 4.170 -0.864 0.000 0.262 161 I C 1.651 177.818 176.117 0.085 0.000 1.225 161 I CA 0.665 62.046 61.300 0.135 0.000 1.472 161 I CB -0.126 37.998 38.000 0.206 0.000 1.094 161 I HN 0.277 nan 8.210 nan 0.000 0.454 162 A N 1.374 124.226 122.820 0.052 0.000 2.119 162 A HA 0.013 3.815 4.320 -0.864 0.000 0.217 162 A C 1.206 178.803 177.584 0.022 0.000 1.153 162 A CA 0.491 52.549 52.037 0.035 0.000 0.692 162 A CB -0.391 18.625 19.000 0.027 0.000 0.799 162 A HN 0.455 nan 8.150 nan 0.000 0.458 163 K N 0.283 120.693 120.400 0.016 0.000 2.297 163 K HA 0.219 4.020 4.320 -0.864 0.000 0.286 163 K C -1.997 174.604 176.600 0.001 0.000 1.053 163 K CA -1.756 54.531 56.287 0.000 0.000 0.940 163 K CB 0.870 33.362 32.500 -0.015 0.000 1.019 163 K HN -0.020 nan 8.250 nan 0.000 0.475 164 P HA -0.245 nan 4.420 nan 0.000 0.217 164 P C 1.122 178.418 177.300 -0.008 0.000 1.148 164 P CA 1.321 64.423 63.100 0.002 0.000 0.828 164 P CB 0.208 31.905 31.700 -0.004 0.000 0.783 165 S N -2.225 113.460 115.700 -0.025 0.000 2.402 165 S HA -0.113 3.838 4.470 -0.864 0.000 0.229 165 S C 1.872 176.423 174.600 -0.083 0.000 1.021 165 S CA 1.666 59.838 58.200 -0.046 0.000 0.974 165 S CB -1.858 61.312 63.200 -0.050 0.000 0.800 165 S HN 0.108 nan 8.310 nan 0.000 0.484 166 T N 2.201 116.699 114.554 -0.094 0.000 2.746 166 T HA -0.052 3.779 4.350 -0.864 0.000 0.267 166 T C 1.886 176.463 174.700 -0.206 0.000 1.039 166 T CA 1.369 63.349 62.100 -0.200 0.000 1.142 166 T CB -0.318 68.463 68.868 -0.146 0.000 0.866 166 T HN 0.453 nan 8.240 nan 0.000 0.444 167 R N 1.244 121.752 120.500 0.013 0.000 2.073 167 R HA -0.085 3.737 4.340 -0.864 0.000 0.234 167 R C 2.311 178.667 176.300 0.092 0.000 1.134 167 R CA 1.471 57.666 56.100 0.159 0.000 0.952 167 R CB -0.136 30.245 30.300 0.134 0.000 0.850 167 R HN 0.314 nan 8.270 nan 0.000 0.433 168 K N 0.071 120.482 120.400 0.019 0.000 2.074 168 K HA -0.243 3.559 4.320 -0.864 0.000 0.209 168 K C 2.261 178.846 176.600 -0.025 0.000 1.048 168 K CA 2.001 58.290 56.287 0.004 0.000 0.926 168 K CB -0.223 32.267 32.500 -0.017 0.000 0.713 168 K HN 0.159 nan 8.250 nan 0.000 0.444 169 R N 0.615 121.053 120.500 -0.104 0.000 2.073 169 R HA -0.120 3.701 4.340 -0.864 0.000 0.234 169 R C 2.026 178.254 176.300 -0.120 0.000 1.134 169 R CA 1.548 57.546 56.100 -0.170 0.000 0.952 169 R CB -0.488 29.633 30.300 -0.299 0.000 0.850 169 R HN 0.118 nan 8.270 nan 0.000 0.433 170 F N 1.162 121.093 119.950 -0.032 0.000 2.161 170 F HA -0.179 3.833 4.527 -0.858 0.000 0.300 170 F C 2.303 178.094 175.800 -0.016 0.000 1.089 170 F CA 1.416 59.402 58.000 -0.023 0.000 1.282 170 F CB -0.049 38.954 39.000 0.006 0.000 1.010 170 F HN 0.222 nan 8.300 nan 0.000 0.485 171 E N -0.248 120.059 120.200 0.178 0.000 2.153 171 E HA -0.262 3.570 4.350 -0.864 0.000 0.194 171 E C 2.508 179.145 176.600 0.062 0.000 0.988 171 E CA 1.167 57.632 56.400 0.109 0.000 0.811 171 E CB -0.291 29.459 29.700 0.082 0.000 0.746 171 E HN 0.609 nan 8.360 nan 0.000 0.466 172 Q N 1.074 120.891 119.800 0.027 0.000 2.083 172 Q HA -0.076 3.746 4.340 -0.864 0.000 0.198 172 Q C 1.993 177.980 176.000 -0.022 0.000 0.969 172 Q CA 1.144 56.944 55.803 -0.004 0.000 0.838 172 Q CB -0.796 27.919 28.738 -0.038 0.000 0.900 172 Q HN 0.307 nan 8.270 nan 0.000 0.436 173 I N 0.398 120.940 120.570 -0.047 0.000 2.264 173 I HA -0.239 3.413 4.170 -0.864 0.000 0.248 173 I C 2.357 178.450 176.117 -0.041 0.000 1.111 173 I CA 1.207 62.428 61.300 -0.131 0.000 1.382 173 I CB -0.329 37.571 38.000 -0.167 0.000 1.060 173 I HN 0.261 nan 8.210 nan 0.000 0.418 174 V N 0.817 120.765 119.914 0.056 0.000 2.358 174 V HA -0.242 3.360 4.120 -0.864 0.000 0.246 174 V C 2.559 178.687 176.094 0.057 0.000 1.047 174 V CA 1.721 64.091 62.300 0.117 0.000 1.035 174 V CB -0.685 31.222 31.823 0.141 0.000 0.658 174 V HN 0.364 nan 8.190 nan 0.000 0.452 175 R N 0.072 120.604 120.500 0.053 0.000 2.159 175 R HA -0.212 3.610 4.340 -0.864 0.000 0.237 175 R C 2.251 178.668 176.300 0.195 0.000 1.131 175 R CA 1.734 57.902 56.100 0.114 0.000 0.982 175 R CB -0.196 30.173 30.300 0.115 0.000 0.868 175 R HN 0.789 nan 8.270 nan 0.000 0.453 176 E N 1.007 121.254 120.200 0.079 0.000 2.385 176 E HA -0.076 3.756 4.350 -0.864 0.000 0.194 176 E C 1.436 178.089 176.600 0.089 0.000 1.013 176 E CA 0.607 57.042 56.400 0.058 0.000 0.866 176 E CB 0.201 29.876 29.700 -0.042 0.000 0.832 176 E HN 0.547 nan 8.360 nan 0.000 0.500 177 I N -2.211 118.403 120.570 0.073 0.000 4.225 177 I HA 0.347 3.999 4.170 -0.864 0.000 0.327 177 I C 0.442 176.527 176.117 -0.053 0.000 1.422 177 I CA -0.757 60.614 61.300 0.117 0.000 1.150 177 I CB 0.503 38.559 38.000 0.093 0.000 1.192 177 I HN -0.044 nan 8.210 nan 0.000 0.440 178 M N 2.674 122.141 119.600 -0.222 0.000 2.243 178 M HA 0.487 4.448 4.480 -0.864 0.000 0.341 178 M C 0.305 176.145 176.300 -0.767 0.000 1.130 178 M CA 0.007 54.770 55.300 -0.895 0.000 1.162 178 M CB 1.166 33.308 32.600 -0.764 0.000 1.497 178 M HN 0.350 nan 8.290 nan 0.000 0.456 179 A N 4.787 126.926 122.820 -1.135 0.000 2.671 179 A HA 0.204 4.006 4.320 -0.864 0.000 0.306 179 A C -0.238 177.208 177.584 -0.230 0.000 1.473 179 A CA -0.359 51.443 52.037 -0.391 0.000 1.155 179 A CB -0.740 18.146 19.000 -0.190 0.000 1.123 179 A HN 1.001 nan 8.150 nan 0.000 0.545 180 Y N 1.126 121.346 120.300 -0.133 0.000 2.497 180 Y HA -0.205 3.830 4.550 -0.860 0.000 0.292 180 Y C 2.432 178.317 175.900 -0.025 0.000 1.137 180 Y CA 1.411 59.471 58.100 -0.067 0.000 1.285 180 Y CB 0.173 38.601 38.460 -0.053 0.000 0.991 180 Y HN 0.790 nan 8.280 nan 0.000 0.556 181 E N 0.177 120.443 120.200 0.110 0.000 2.047 181 E HA -0.173 3.659 4.350 -0.864 0.000 0.191 181 E C 0.252 176.888 176.600 0.060 0.000 0.987 181 E CA 1.029 57.476 56.400 0.078 0.000 0.799 181 E CB -0.427 29.315 29.700 0.069 0.000 0.752 181 E HN 0.233 nan 8.360 nan 0.000 0.449 182 N N 1.478 120.209 118.700 0.053 0.000 2.762 182 N HA 0.156 4.378 4.740 -0.864 0.000 0.252 182 N C -2.124 173.426 175.510 0.066 0.000 1.269 182 N CA -2.136 50.952 53.050 0.064 0.000 0.799 182 N CB 1.489 40.029 38.487 0.089 0.000 1.173 182 N HN -0.188 nan 8.380 nan 0.000 0.516 183 P HA -0.014 nan 4.420 nan 0.000 0.215 183 P C 1.376 178.721 177.300 0.075 0.000 1.157 183 P CA 0.982 64.084 63.100 0.003 0.000 0.859 183 P CB 0.206 31.870 31.700 -0.061 0.000 0.786 184 G N 0.851 109.679 108.800 0.046 0.000 2.491 184 G HA2 -0.290 3.151 3.960 -0.864 0.000 0.218 184 G HA3 -0.290 3.151 3.960 -0.864 0.000 0.218 184 G C 1.881 176.810 174.900 0.049 0.000 1.180 184 G CA 1.454 46.576 45.100 0.037 0.000 0.774 184 G HN 0.378 nan 8.290 nan 0.000 0.562 185 A N -0.143 122.728 122.820 0.085 0.000 1.972 185 A HA 0.128 3.930 4.320 -0.864 0.000 0.219 185 A C 2.146 179.724 177.584 -0.009 0.000 1.169 185 A CA 1.489 53.581 52.037 0.092 0.000 0.635 185 A CB -0.445 18.654 19.000 0.165 0.000 0.810 185 A HN 0.389 nan 8.150 nan 0.000 0.446 186 F N 1.392 121.297 119.950 -0.076 0.000 2.084 186 F HA -0.149 3.866 4.527 -0.854 0.000 0.296 186 F C 2.069 177.792 175.800 -0.128 0.000 1.111 186 F CA 1.918 59.864 58.000 -0.089 0.000 1.224 186 F CB -0.244 38.728 39.000 -0.047 0.000 0.991 186 F HN 0.198 nan 8.300 nan 0.000 0.471 187 N N 0.738 119.420 118.700 -0.030 0.000 2.104 187 N HA -0.198 4.023 4.740 -0.864 0.000 0.190 187 N C 1.861 177.245 175.510 -0.210 0.000 1.024 187 N CA 1.669 54.656 53.050 -0.105 0.000 0.853 187 N CB -0.619 37.860 38.487 -0.013 0.000 1.008 187 N HN 0.478 nan 8.380 nan 0.000 0.424 188 E N 0.514 120.574 120.200 -0.234 0.000 2.058 188 E HA -0.141 3.691 4.350 -0.864 0.000 0.194 188 E C 1.876 178.090 176.600 -0.644 0.000 0.997 188 E CA 1.240 57.452 56.400 -0.313 0.000 0.801 188 E CB -0.083 29.480 29.700 -0.228 0.000 0.746 188 E HN 0.376 nan 8.360 nan 0.000 0.450 189 A N 0.645 122.859 122.820 -1.010 0.000 1.933 189 A HA -0.169 3.632 4.320 -0.864 0.000 0.218 189 A C 2.072 179.415 177.584 -0.401 0.000 1.175 189 A CA 0.941 52.391 52.037 -0.978 0.000 0.628 189 A CB -0.431 18.142 19.000 -0.712 0.000 0.814 189 A HN 0.177 nan 8.150 nan 0.000 0.444 190 L N -0.206 120.745 121.223 -0.454 0.000 2.027 190 L HA -0.087 3.735 4.340 -0.864 0.000 0.206 190 L C 2.341 179.108 176.870 -0.171 0.000 1.074 190 L CA 1.605 56.253 54.840 -0.321 0.000 0.745 190 L CB -0.501 41.343 42.059 -0.360 0.000 0.898 190 L HN 0.432 nan 8.230 nan 0.000 0.433 191 I N -0.936 119.554 120.570 -0.133 0.000 2.179 191 I HA -0.291 3.361 4.170 -0.864 0.000 0.242 191 I C 2.449 178.578 176.117 0.020 0.000 1.088 191 I CA 1.305 62.582 61.300 -0.038 0.000 1.357 191 I CB -0.198 37.814 38.000 0.020 0.000 1.051 191 I HN 0.269 nan 8.210 nan 0.000 0.409 192 E N 0.913 121.150 120.200 0.063 0.000 2.110 192 E HA -0.247 3.585 4.350 -0.864 0.000 0.193 192 E C 1.986 178.772 176.600 0.311 0.000 0.988 192 E CA 1.094 57.635 56.400 0.234 0.000 0.804 192 E CB -0.206 29.740 29.700 0.411 0.000 0.745 192 E HN 0.290 nan 8.360 nan 0.000 0.458 193 L N -0.121 121.212 121.223 0.183 0.000 1.989 193 L HA -0.072 3.750 4.340 -0.864 0.000 0.211 193 L C 2.263 179.098 176.870 -0.059 0.000 1.071 193 L CA 2.484 57.273 54.840 -0.085 0.000 0.749 193 L CB -1.144 40.733 42.059 -0.304 0.000 0.890 193 L HN 0.265 nan 8.230 nan 0.000 0.431 194 G N -1.404 107.363 108.800 -0.056 0.000 2.475 194 G HA2 -0.286 3.156 3.960 -0.864 0.000 0.220 194 G HA3 -0.286 3.156 3.960 -0.864 0.000 0.220 194 G C 1.532 176.427 174.900 -0.009 0.000 1.125 194 G CA 0.904 45.973 45.100 -0.052 0.000 0.755 194 G HN 0.659 nan 8.290 nan 0.000 0.565 195 A N -0.133 122.711 122.820 0.040 0.000 1.930 195 A HA 0.330 4.132 4.320 -0.864 0.000 0.215 195 A C 2.324 179.956 177.584 0.079 0.000 1.176 195 A CA 1.045 53.118 52.037 0.059 0.000 0.632 195 A CB -0.112 18.939 19.000 0.086 0.000 0.819 195 A HN 0.352 nan 8.150 nan 0.000 0.445 196 L N -1.774 119.530 121.223 0.135 0.000 2.467 196 L HA 0.091 3.913 4.340 -0.864 0.000 0.213 196 L C 1.994 178.931 176.870 0.112 0.000 1.053 196 L CA 0.322 55.258 54.840 0.161 0.000 0.847 196 L CB -0.111 42.126 42.059 0.297 0.000 1.075 196 L HN 0.185 nan 8.230 nan 0.000 0.479 197 V N -1.419 118.524 119.914 0.049 0.000 2.784 197 V HA -0.006 3.596 4.120 -0.864 0.000 0.231 197 V C 1.133 177.174 176.094 -0.089 0.000 1.128 197 V CA 0.171 62.435 62.300 -0.059 0.000 1.178 197 V CB 0.566 32.240 31.823 -0.248 0.000 0.943 197 V HN 0.373 nan 8.190 nan 0.000 0.500 198 C N 4.006 123.233 119.300 -0.121 0.000 3.183 198 C HA 0.380 4.322 4.460 -0.864 0.000 0.545 198 C C 1.336 176.288 174.990 -0.064 0.000 1.044 198 C CA -0.404 58.551 59.018 -0.104 0.000 1.117 198 C CB -2.460 25.204 27.740 -0.126 0.000 1.393 198 C HN 0.700 nan 8.230 nan 0.000 0.611 199 T N 1.825 116.353 114.554 -0.043 0.000 2.849 199 T HA 0.313 4.144 4.350 -0.864 0.000 0.284 199 T C -1.455 173.232 174.700 -0.022 0.000 1.004 199 T CA -1.273 60.812 62.100 -0.025 0.000 1.021 199 T CB 0.991 69.852 68.868 -0.011 0.000 1.013 199 T HN 0.208 nan 8.240 nan 0.000 0.527 200 P HA -0.007 nan 4.420 nan 0.000 0.215 200 P C 0.312 177.609 177.300 -0.005 0.000 1.153 200 P CA 1.063 64.157 63.100 -0.011 0.000 0.853 200 P CB 0.177 31.872 31.700 -0.009 0.000 0.788 201 R N -1.515 118.983 120.500 -0.003 0.000 2.589 201 R HA 0.667 4.488 4.340 -0.864 0.000 0.293 201 R C 0.080 176.379 176.300 -0.001 0.000 0.963 201 R CA -0.755 55.346 56.100 0.001 0.000 0.905 201 R CB -0.358 29.944 30.300 0.003 0.000 1.144 201 R HN -0.069 nan 8.270 nan 0.000 0.459 202 R N 0.960 121.462 120.500 0.003 0.000 3.127 202 R HA -0.150 3.672 4.340 -0.864 0.000 0.247 202 R C -2.099 174.195 176.300 -0.011 0.000 0.896 202 R CA 0.745 56.846 56.100 0.002 0.000 0.624 202 R CB -3.031 27.271 30.300 0.004 0.000 1.154 202 R HN 0.527 nan 8.270 nan 0.000 0.474 203 P HA 0.137 nan 4.420 nan 0.000 0.267 203 P C 0.008 177.270 177.300 -0.062 0.000 1.201 203 P CA 0.044 63.115 63.100 -0.047 0.000 0.775 203 P CB 1.004 32.667 31.700 -0.060 0.000 0.854 204 S N 0.827 116.478 115.700 -0.080 0.000 3.266 204 S HA 0.053 4.005 4.470 -0.864 0.000 0.209 204 S C 1.130 175.634 174.600 -0.160 0.000 1.409 204 S CA -0.416 57.732 58.200 -0.087 0.000 1.179 204 S CB -1.240 61.931 63.200 -0.050 0.000 1.218 204 S HN 0.486 nan 8.310 nan 0.000 0.514 205 C N 0.716 119.879 119.300 -0.227 0.000 2.403 205 C HA -0.115 3.827 4.460 -0.864 0.000 0.279 205 C C 2.423 177.143 174.990 -0.450 0.000 1.269 205 C CA 0.477 59.236 59.018 -0.432 0.000 1.774 205 C CB -1.392 25.937 27.740 -0.686 0.000 1.993 205 C HN 0.700 nan 8.230 nan 0.000 0.496 206 L N 0.135 121.193 121.223 -0.276 0.000 2.131 206 L HA -0.136 3.685 4.340 -0.864 0.000 0.210 206 L C 2.347 179.148 176.870 -0.115 0.000 1.092 206 L CA 1.386 56.132 54.840 -0.158 0.000 0.759 206 L CB -0.494 41.534 42.059 -0.052 0.000 0.903 206 L HN 0.411 nan 8.230 nan 0.000 0.435 207 L N -1.382 119.776 121.223 -0.110 0.000 2.416 207 L HA 0.035 3.857 4.340 -0.864 0.000 0.216 207 L C 1.448 178.242 176.870 -0.126 0.000 1.098 207 L CA -0.455 54.344 54.840 -0.067 0.000 0.840 207 L CB -0.118 41.932 42.059 -0.015 0.000 0.981 207 L HN 0.249 nan 8.230 nan 0.000 0.462 208 C N 3.898 123.069 119.300 -0.214 0.000 2.419 208 C HA 0.012 3.953 4.460 -0.864 0.000 0.398 208 C C -0.115 174.716 174.990 -0.265 0.000 1.498 208 C CA -1.128 57.704 59.018 -0.310 0.000 1.494 208 C CB 0.161 27.715 27.740 -0.309 0.000 2.485 208 C HN 0.232 nan 8.230 nan 0.000 0.608 209 P HA -0.050 nan 4.420 nan 0.000 0.234 209 P C 0.591 177.827 177.300 -0.106 0.000 1.167 209 P CA 1.570 64.543 63.100 -0.213 0.000 0.763 209 P CB -0.213 31.303 31.700 -0.307 0.000 0.835 210 V N -4.028 115.817 119.914 -0.115 0.000 3.078 210 V HA 0.219 3.821 4.120 -0.864 0.000 0.344 210 V C 2.197 178.411 176.094 0.200 0.000 1.409 210 V CA -0.307 62.069 62.300 0.127 0.000 1.146 210 V CB -0.280 31.532 31.823 -0.020 0.000 1.126 210 V HN -0.054 nan 8.190 nan 0.000 0.513 211 Q N 1.927 121.739 119.800 0.019 0.000 2.112 211 Q HA -0.249 3.573 4.340 -0.864 0.000 0.206 211 Q C 2.147 178.218 176.000 0.118 0.000 0.987 211 Q CA 2.755 58.542 55.803 -0.026 0.000 0.858 211 Q CB -0.161 28.477 28.738 -0.166 0.000 0.905 211 Q HN 0.778 nan 8.270 nan 0.000 0.420 212 A N 0.763 123.626 122.820 0.072 0.000 1.894 212 A HA -0.245 3.557 4.320 -0.864 0.000 0.220 212 A C 1.544 179.108 177.584 -0.033 0.000 1.237 212 A CA 2.102 54.091 52.037 -0.079 0.000 0.660 212 A CB -1.428 17.338 19.000 -0.390 0.000 0.835 212 A HN 0.661 nan 8.150 nan 0.000 0.461 213 Y N -1.702 118.669 120.300 0.119 0.000 2.502 213 Y HA 0.245 4.277 4.550 -0.863 0.000 0.295 213 Y C 1.218 177.177 175.900 0.098 0.000 1.193 213 Y CA -0.715 57.477 58.100 0.153 0.000 1.295 213 Y CB -1.161 37.475 38.460 0.293 0.000 1.059 213 Y HN 0.271 nan 8.280 nan 0.000 0.514 214 C N 2.256 121.695 119.300 0.232 0.000 2.225 214 C HA 0.173 4.114 4.460 -0.864 0.000 0.328 214 C C 1.516 176.595 174.990 0.147 0.000 1.187 214 C CA -0.477 58.624 59.018 0.140 0.000 1.665 214 C CB -0.604 27.207 27.740 0.118 0.000 2.253 214 C HN 0.645 nan 8.230 nan 0.000 0.497 215 Q N 3.678 123.526 119.800 0.080 0.000 2.167 215 Q HA -0.098 3.723 4.340 -0.864 0.000 0.202 215 Q C 2.278 178.331 176.000 0.088 0.000 0.970 215 Q CA 1.619 57.472 55.803 0.084 0.000 0.855 215 Q CB -0.045 28.741 28.738 0.080 0.000 0.911 215 Q HN 0.939 nan 8.270 nan 0.000 0.438 216 A N 0.583 123.459 122.820 0.094 0.000 1.972 216 A HA -0.186 3.616 4.320 -0.864 0.000 0.219 216 A C 1.786 179.468 177.584 0.163 0.000 1.169 216 A CA 1.000 53.099 52.037 0.104 0.000 0.635 216 A CB -0.532 18.520 19.000 0.087 0.000 0.810 216 A HN 0.394 nan 8.150 nan 0.000 0.446 217 F N 0.802 120.755 119.950 0.005 0.000 2.098 217 F HA 0.092 4.105 4.527 -0.858 0.000 0.294 217 F C 2.587 178.392 175.800 0.007 0.000 1.107 217 F CA 0.621 58.623 58.000 0.004 0.000 1.234 217 F CB -0.966 38.035 39.000 0.003 0.000 1.002 217 F HN 0.254 nan 8.300 nan 0.000 0.472 218 A N 0.046 122.832 122.820 -0.057 0.000 1.985 218 A HA -0.268 3.534 4.320 -0.864 0.000 0.223 218 A C 2.059 179.552 177.584 -0.152 0.000 1.189 218 A CA 2.346 54.294 52.037 -0.149 0.000 0.658 218 A CB -0.753 18.229 19.000 -0.029 0.000 0.820 218 A HN 0.547 nan 8.150 nan 0.000 0.464 219 E N -2.167 117.991 120.200 -0.071 0.000 2.415 219 E HA 0.221 4.053 4.350 -0.864 0.000 0.197 219 E C 1.121 177.693 176.600 -0.047 0.000 1.007 219 E CA 0.653 57.025 56.400 -0.047 0.000 0.890 219 E CB -0.046 29.653 29.700 -0.002 0.000 0.891 219 E HN 0.918 nan 8.360 nan 0.000 0.496 220 G N 2.006 110.780 108.800 -0.043 0.000 2.289 220 G HA2 -0.255 3.186 3.960 -0.864 0.000 0.280 220 G HA3 -0.255 3.186 3.960 -0.864 0.000 0.280 220 G C 0.713 175.637 174.900 0.041 0.000 1.089 220 G CA 0.506 45.608 45.100 0.003 0.000 0.939 220 G HN 0.298 nan 8.290 nan 0.000 0.499 221 V N -4.141 115.809 119.914 0.060 0.000 3.346 221 V HA 0.718 4.320 4.120 -0.864 0.000 0.309 221 V C 2.144 178.275 176.094 0.063 0.000 1.457 221 V CA 0.937 63.269 62.300 0.052 0.000 1.069 221 V CB -0.068 31.781 31.823 0.042 0.000 0.944 221 V HN 1.340 nan 8.190 nan 0.000 0.449 222 A N 1.328 124.200 122.820 0.087 0.000 1.903 222 A HA -0.297 3.504 4.320 -0.864 0.000 0.219 222 A C 2.072 179.684 177.584 0.045 0.000 1.191 222 A CA 2.555 54.635 52.037 0.071 0.000 0.638 222 A CB -0.536 18.515 19.000 0.085 0.000 0.823 222 A HN 0.703 nan 8.150 nan 0.000 0.451 223 E N -0.606 119.621 120.200 0.045 0.000 2.478 223 E HA -0.101 3.730 4.350 -0.864 0.000 0.198 223 E C 1.035 177.652 176.600 0.029 0.000 1.046 223 E CA 0.706 57.125 56.400 0.031 0.000 0.870 223 E CB 0.078 29.797 29.700 0.031 0.000 0.818 223 E HN 0.562 nan 8.360 nan 0.000 0.527 224 E N -0.291 119.929 120.200 0.033 0.000 2.481 224 E HA 0.142 3.974 4.350 -0.864 0.000 0.198 224 E C -0.018 176.603 176.600 0.035 0.000 1.027 224 E CA 0.048 56.467 56.400 0.031 0.000 0.900 224 E CB 0.690 30.408 29.700 0.030 0.000 0.993 224 E HN 0.302 nan 8.360 nan 0.000 0.482 225 L N 2.107 123.353 121.223 0.038 0.000 2.322 225 L HA 0.419 4.241 4.340 -0.864 0.000 0.269 225 L C -2.183 174.706 176.870 0.032 0.000 1.012 225 L CA -2.048 52.818 54.840 0.044 0.000 0.815 225 L CB 1.754 43.846 42.059 0.054 0.000 1.295 225 L HN -0.175 nan 8.230 nan 0.000 0.438 226 P HA 0.169 nan 4.420 nan 0.000 0.278 226 P C -0.876 176.460 177.300 0.061 0.000 1.266 226 P CA -0.417 62.724 63.100 0.068 0.000 0.807 226 P CB 1.263 33.013 31.700 0.083 0.000 1.094 227 V N 1.356 121.313 119.914 0.071 0.000 2.530 227 V HA 0.288 3.889 4.120 -0.864 0.000 0.282 227 V C 0.640 176.765 176.094 0.052 0.000 1.048 227 V CA 0.329 62.660 62.300 0.052 0.000 0.997 227 V CB 0.133 31.982 31.823 0.044 0.000 0.987 227 V HN 0.604 nan 8.190 nan 0.000 0.477 228 K N 4.930 125.354 120.400 0.039 0.000 2.535 228 K HA 0.468 4.270 4.320 -0.864 0.000 0.251 228 K C -0.768 175.849 176.600 0.028 0.000 0.942 228 K CA -0.988 55.321 56.287 0.036 0.000 0.798 228 K CB 1.928 34.450 32.500 0.036 0.000 1.267 228 K HN 0.579 nan 8.250 nan 0.000 0.434 229 M N 3.109 122.724 119.600 0.026 0.000 2.248 229 M HA 0.060 4.021 4.480 -0.864 0.000 0.343 229 M C -0.636 175.678 176.300 0.023 0.000 1.243 229 M CA 0.634 55.947 55.300 0.022 0.000 1.025 229 M CB 0.219 32.831 32.600 0.020 0.000 1.759 229 M HN 0.327 nan 8.290 nan 0.000 0.452 230 K N 4.970 125.383 120.400 0.021 0.000 2.338 230 K HA 0.149 3.951 4.320 -0.864 0.000 0.290 230 K C -0.364 176.250 176.600 0.024 0.000 1.069 230 K CA 0.068 56.368 56.287 0.022 0.000 0.941 230 K CB 0.100 32.612 32.500 0.020 0.000 1.023 230 K HN 0.548 nan 8.250 nan 0.000 0.477 231 K N 1.875 122.292 120.400 0.027 0.000 2.586 231 K HA -0.070 3.732 4.320 -0.864 0.000 0.280 231 K C -0.074 176.546 176.600 0.032 0.000 0.972 231 K CA 0.603 56.910 56.287 0.032 0.000 1.040 231 K CB 0.329 32.851 32.500 0.036 0.000 0.870 231 K HN 0.765 nan 8.250 nan 0.000 0.497 232 T N 0.518 115.094 114.554 0.036 0.000 2.847 232 T HA 0.461 4.293 4.350 -0.864 0.000 0.279 232 T C 0.156 174.880 174.700 0.039 0.000 0.984 232 T CA -0.924 61.197 62.100 0.035 0.000 0.988 232 T CB 1.401 70.290 68.868 0.035 0.000 1.040 232 T HN 0.596 nan 8.240 nan 0.000 0.528 233 A N 1.050 123.892 122.820 0.036 0.000 2.425 233 A HA 0.555 4.357 4.320 -0.864 0.000 0.249 233 A C 0.655 178.264 177.584 0.042 0.000 1.084 233 A CA -0.650 51.409 52.037 0.038 0.000 0.781 233 A CB -0.341 18.679 19.000 0.033 0.000 1.019 233 A HN 1.369 nan 8.150 nan 0.000 0.490 234 V N 0.645 120.586 119.914 0.045 0.000 2.716 234 V HA 0.516 4.118 4.120 -0.864 0.000 0.304 234 V C 0.390 176.505 176.094 0.035 0.000 1.053 234 V CA -1.114 61.212 62.300 0.043 0.000 0.984 234 V CB 1.027 32.876 31.823 0.043 0.000 1.021 234 V HN 1.010 nan 8.190 nan 0.000 0.467 235 K N 2.484 122.900 120.400 0.026 0.000 2.527 235 K HA 0.067 3.868 4.320 -0.864 0.000 0.278 235 K C -0.167 176.456 176.600 0.038 0.000 0.981 235 K CA 0.121 56.424 56.287 0.027 0.000 1.009 235 K CB 0.377 32.888 32.500 0.017 0.000 0.895 235 K HN 0.851 nan 8.250 nan 0.000 0.493 236 Q N 2.312 122.143 119.800 0.052 0.000 2.245 236 Q HA 0.394 4.216 4.340 -0.864 0.000 0.256 236 Q C -1.176 174.876 176.000 0.086 0.000 0.942 236 Q CA -0.842 55.007 55.803 0.076 0.000 0.896 236 Q CB 2.237 31.014 28.738 0.064 0.000 1.272 236 Q HN 0.400 nan 8.270 nan 0.000 0.442 237 V N 3.975 123.969 119.914 0.133 0.000 2.567 237 V HA 0.310 3.912 4.120 -0.864 0.000 0.298 237 V C -2.486 173.653 176.094 0.076 0.000 1.047 237 V CA -1.737 60.639 62.300 0.126 0.000 0.880 237 V CB 2.126 34.084 31.823 0.224 0.000 1.009 237 V HN 0.619 nan 8.190 nan 0.000 0.429 238 P HA 0.521 nan 4.420 nan 0.000 0.285 238 P C -1.055 176.156 177.300 -0.149 0.000 1.259 238 P CA -0.381 62.687 63.100 -0.055 0.000 0.794 238 P CB 1.283 32.965 31.700 -0.030 0.000 0.940 239 L N 2.543 123.635 121.223 -0.217 0.000 2.401 239 L HA 0.772 4.594 4.340 -0.864 0.000 0.266 239 L C -1.030 175.732 176.870 -0.182 0.000 0.991 239 L CA -0.796 53.856 54.840 -0.313 0.000 0.818 239 L CB 1.919 43.590 42.059 -0.646 0.000 1.321 239 L HN 0.393 nan 8.230 nan 0.000 0.413 240 A N 4.323 127.076 122.820 -0.112 0.000 2.271 240 A HA 0.770 4.572 4.320 -0.864 0.000 0.317 240 A C -1.277 176.321 177.584 0.024 0.000 1.245 240 A CA -0.493 51.566 52.037 0.037 0.000 0.857 240 A CB 0.928 19.949 19.000 0.036 0.000 1.175 240 A HN 0.470 nan 8.150 nan 0.000 0.512 241 V N 1.354 121.318 119.914 0.085 0.000 2.555 241 V HA 0.761 4.363 4.120 -0.864 0.000 0.302 241 V C 0.376 176.549 176.094 0.130 0.000 1.038 241 V CA -0.502 61.829 62.300 0.052 0.000 0.887 241 V CB 1.527 33.302 31.823 -0.081 0.000 0.991 241 V HN 1.154 nan 8.190 nan 0.000 0.434 242 A N 3.703 126.598 122.820 0.124 0.000 2.287 242 A HA 0.756 4.558 4.320 -0.864 0.000 0.317 242 A C -0.540 177.073 177.584 0.048 0.000 1.220 242 A CA -0.501 51.600 52.037 0.107 0.000 0.835 242 A CB 1.235 20.301 19.000 0.110 0.000 1.180 242 A HN 0.807 nan 8.150 nan 0.000 0.500 243 V N 4.805 124.673 119.914 -0.076 0.000 2.247 243 V HA 0.215 3.816 4.120 -0.864 0.000 0.262 243 V C -0.191 175.871 176.094 -0.054 0.000 1.096 243 V CA -0.045 62.105 62.300 -0.250 0.000 0.895 243 V CB -0.346 31.105 31.823 -0.619 0.000 1.141 243 V HN 0.704 nan 8.190 nan 0.000 0.478 244 L N 3.993 125.253 121.223 0.062 0.000 2.260 244 L HA 0.788 4.610 4.340 -0.864 0.000 0.289 244 L C 0.506 177.446 176.870 0.117 0.000 1.057 244 L CA -0.036 54.861 54.840 0.096 0.000 0.811 244 L CB 1.143 43.267 42.059 0.109 0.000 1.184 244 L HN 0.612 nan 8.230 nan 0.000 0.429 245 A N 2.773 125.666 122.820 0.121 0.000 2.354 245 A HA 0.631 4.433 4.320 -0.864 0.000 0.321 245 A C -0.784 176.857 177.584 0.095 0.000 1.125 245 A CA -0.683 51.441 52.037 0.144 0.000 0.799 245 A CB 1.365 20.490 19.000 0.209 0.000 1.293 245 A HN 0.580 nan 8.150 nan 0.000 0.452 246 D N -0.054 120.403 120.400 0.096 0.000 2.387 246 D HA 0.424 4.546 4.640 -0.864 0.000 0.251 246 D C 1.469 177.812 176.300 0.073 0.000 1.141 246 D CA 0.787 54.820 54.000 0.054 0.000 0.987 246 D CB 0.856 41.719 40.800 0.105 0.000 1.116 246 D HN 0.650 nan 8.370 nan 0.000 0.491 247 D N 0.072 120.505 120.400 0.054 0.000 2.263 247 D HA -0.136 3.986 4.640 -0.864 0.000 0.208 247 D C 1.297 177.643 176.300 0.076 0.000 0.971 247 D CA 1.175 55.211 54.000 0.061 0.000 0.867 247 D CB -0.192 40.639 40.800 0.050 0.000 0.929 247 D HN 0.408 nan 8.370 nan 0.000 0.492 248 E N -1.441 118.814 120.200 0.092 0.000 2.250 248 E HA 0.291 4.123 4.350 -0.864 0.000 0.192 248 E C 1.865 178.527 176.600 0.104 0.000 0.986 248 E CA 0.729 57.185 56.400 0.095 0.000 0.849 248 E CB 0.772 30.535 29.700 0.105 0.000 0.797 248 E HN 0.630 nan 8.360 nan 0.000 0.482 249 G N 1.587 110.461 108.800 0.124 0.000 2.296 249 G HA2 -0.193 3.249 3.960 -0.864 0.000 0.188 249 G HA3 -0.193 3.249 3.960 -0.864 0.000 0.188 249 G C 0.267 175.266 174.900 0.165 0.000 1.000 249 G CA -0.403 44.787 45.100 0.150 0.000 0.672 249 G HN 0.054 nan 8.290 nan 0.000 0.483 250 R N 0.051 120.639 120.500 0.147 0.000 2.694 250 R HA 0.542 4.364 4.340 -0.864 0.000 0.268 250 R C -0.010 176.382 176.300 0.154 0.000 1.061 250 R CA 0.252 56.437 56.100 0.141 0.000 1.133 250 R CB 1.141 31.527 30.300 0.144 0.000 1.020 250 R HN 0.128 nan 8.270 nan 0.000 0.475 251 V N 2.237 122.233 119.914 0.137 0.000 3.001 251 V HA 0.341 3.943 4.120 -0.864 0.000 0.314 251 V C -0.882 175.303 176.094 0.152 0.000 1.099 251 V CA -1.061 61.335 62.300 0.161 0.000 0.989 251 V CB 2.048 33.983 31.823 0.188 0.000 1.040 251 V HN 0.459 nan 8.190 nan 0.000 0.434 252 L N 4.661 126.006 121.223 0.203 0.000 2.265 252 L HA 0.690 4.512 4.340 -0.864 0.000 0.289 252 L C -0.372 176.648 176.870 0.250 0.000 1.033 252 L CA 0.228 55.202 54.840 0.223 0.000 0.814 252 L CB 0.647 42.859 42.059 0.255 0.000 1.203 252 L HN 0.682 nan 8.230 nan 0.000 0.423 253 I N 2.239 122.891 120.570 0.136 0.000 3.206 253 I HA 0.807 4.459 4.170 -0.864 0.000 0.313 253 I C -1.202 174.945 176.117 0.051 0.000 1.103 253 I CA -1.161 60.180 61.300 0.068 0.000 0.985 253 I CB 2.378 40.324 38.000 -0.090 0.000 1.240 253 I HN 0.732 nan 8.210 nan 0.000 0.464 254 R N 1.350 121.854 120.500 0.005 0.000 2.643 254 R HA 0.485 4.307 4.340 -0.864 0.000 0.269 254 R C -1.572 174.515 176.300 -0.355 0.000 1.037 254 R CA -1.058 54.927 56.100 -0.192 0.000 0.894 254 R CB 1.853 31.724 30.300 -0.715 0.000 1.238 254 R HN 0.679 nan 8.270 nan 0.000 0.459 255 K N 1.937 121.850 120.400 -0.811 0.000 2.218 255 K HA 0.267 4.069 4.320 -0.864 0.000 0.276 255 K C -0.466 175.766 176.600 -0.613 0.000 1.022 255 K CA -0.523 55.051 56.287 -1.187 0.000 0.946 255 K CB 0.920 32.516 32.500 -1.508 0.000 1.000 255 K HN 0.510 nan 8.250 nan 0.000 0.468 256 R N 1.800 121.996 120.500 -0.506 0.000 2.528 256 R HA 0.027 3.849 4.340 -0.864 0.000 0.271 256 R C -0.582 175.586 176.300 -0.220 0.000 1.056 256 R CA -0.707 55.220 56.100 -0.288 0.000 1.117 256 R CB 0.588 30.764 30.300 -0.207 0.000 1.085 256 R HN 0.688 nan 8.270 nan 0.000 0.530 257 D N 0.780 121.098 120.400 -0.136 0.000 2.570 257 D HA -0.107 4.015 4.640 -0.864 0.000 0.243 257 D C 1.020 177.267 176.300 -0.090 0.000 1.171 257 D CA 0.693 54.636 54.000 -0.094 0.000 0.879 257 D CB 0.720 41.490 40.800 -0.050 0.000 1.143 257 D HN 0.457 nan 8.370 nan 0.000 0.511 258 S N 2.607 118.250 115.700 -0.095 0.000 2.488 258 S HA -0.134 3.818 4.470 -0.864 0.000 0.246 258 S C 0.693 175.262 174.600 -0.053 0.000 0.992 258 S CA 1.122 59.272 58.200 -0.082 0.000 0.963 258 S CB -0.366 62.789 63.200 -0.075 0.000 0.754 258 S HN 0.620 nan 8.310 nan 0.000 0.519 259 T N -0.858 113.671 114.554 -0.042 0.000 2.821 259 T HA 0.686 4.517 4.350 -0.864 0.000 0.307 259 T C 0.372 175.063 174.700 -0.016 0.000 1.034 259 T CA -0.049 62.034 62.100 -0.028 0.000 0.953 259 T CB 0.772 69.625 68.868 -0.025 0.000 0.968 259 T HN 0.746 nan 8.240 nan 0.000 0.462 260 G N 2.530 111.325 108.800 -0.009 0.000 2.337 260 G HA2 0.127 3.569 3.960 -0.864 0.000 0.197 260 G HA3 0.127 3.569 3.960 -0.864 0.000 0.197 260 G C -0.823 174.095 174.900 0.030 0.000 1.238 260 G CA -0.673 44.431 45.100 0.007 0.000 1.119 260 G HN 1.065 nan 8.290 nan 0.000 0.514 261 L N 1.281 122.536 121.223 0.052 0.000 2.559 261 L HA 0.459 4.280 4.340 -0.864 0.000 0.282 261 L C 1.577 178.503 176.870 0.094 0.000 1.232 261 L CA 1.244 56.134 54.840 0.084 0.000 0.885 261 L CB -0.209 41.881 42.059 0.051 0.000 1.131 261 L HN 1.183 nan 8.230 nan 0.000 0.498 262 L N 3.970 125.282 121.223 0.149 0.000 3.781 262 L HA -0.286 3.536 4.340 -0.864 0.000 0.426 262 L C 0.900 177.766 176.870 -0.006 0.000 1.197 262 L CA 0.377 55.282 54.840 0.109 0.000 0.907 262 L CB -1.912 40.212 42.059 0.109 0.000 1.812 262 L HN 0.909 nan 8.230 nan 0.000 0.956 263 A N 0.373 123.197 122.820 0.006 0.000 2.567 263 A HA 0.271 4.073 4.320 -0.864 0.000 0.240 263 A C 1.456 178.970 177.584 -0.117 0.000 1.053 263 A CA 0.891 52.895 52.037 -0.055 0.000 0.755 263 A CB 0.012 18.993 19.000 -0.031 0.000 0.978 263 A HN 0.712 nan 8.150 nan 0.000 0.507 264 N N -1.418 117.165 118.700 -0.194 0.000 2.936 264 N HA -0.154 4.068 4.740 -0.864 0.000 0.236 264 N C -0.462 174.826 175.510 -0.370 0.000 0.930 264 N CA 1.458 54.345 53.050 -0.272 0.000 0.966 264 N CB -1.637 36.751 38.487 -0.165 0.000 1.090 264 N HN 0.545 nan 8.380 nan 0.000 0.592 265 L N 0.134 121.157 121.223 -0.333 0.000 2.418 265 L HA 0.365 4.187 4.340 -0.864 0.000 0.265 265 L C 0.591 177.176 176.870 -0.475 0.000 1.143 265 L CA -0.036 54.596 54.840 -0.347 0.000 0.809 265 L CB 0.236 42.104 42.059 -0.318 0.000 1.124 265 L HN 0.082 nan 8.230 nan 0.000 0.456 266 W N 1.784 122.800 121.300 -0.473 0.000 2.303 266 W HA 0.551 4.692 4.660 -0.865 0.000 0.334 266 W C 0.145 176.299 176.519 -0.608 0.000 1.197 266 W CA -0.249 56.725 57.345 -0.619 0.000 1.262 266 W CB 0.601 29.502 29.460 -0.933 0.000 1.153 266 W HN 0.533 nan 8.180 nan 0.000 0.596 267 E N 0.121 120.192 120.200 -0.215 0.000 2.445 267 E HA 0.482 4.314 4.350 -0.864 0.000 0.279 267 E C -1.772 174.825 176.600 -0.005 0.000 1.018 267 E CA -1.027 55.235 56.400 -0.229 0.000 0.816 267 E CB 1.126 30.490 29.700 -0.559 0.000 1.356 267 E HN 0.239 nan 8.360 nan 0.000 0.462 268 F N 0.898 121.206 119.950 0.597 0.000 2.410 268 F HA 0.332 4.341 4.527 -0.864 0.000 0.348 268 F C -1.893 174.070 175.800 0.272 0.000 1.106 268 F CA -2.158 56.059 58.000 0.363 0.000 1.163 268 F CB 0.969 40.132 39.000 0.272 0.000 1.129 268 F HN 0.190 nan 8.300 nan 0.000 0.516 269 P HA -0.095 nan 4.420 nan 0.000 0.255 269 P C -0.696 176.719 177.300 0.191 0.000 1.151 269 P CA 0.525 63.753 63.100 0.212 0.000 0.767 269 P CB 0.270 32.125 31.700 0.260 0.000 0.736 270 S N 2.567 118.345 115.700 0.132 0.000 2.588 270 S HA 0.751 4.703 4.470 -0.864 0.000 0.275 270 S C -1.226 173.378 174.600 0.006 0.000 1.130 270 S CA -0.740 57.499 58.200 0.066 0.000 0.855 270 S CB 1.682 64.924 63.200 0.069 0.000 1.116 270 S HN 0.525 nan 8.310 nan 0.000 0.472 271 C N 1.306 120.580 119.300 -0.044 0.000 2.888 271 C HA 0.602 4.544 4.460 -0.864 0.000 0.308 271 C C -1.198 173.731 174.990 -0.102 0.000 1.213 271 C CA -0.415 58.571 59.018 -0.053 0.000 1.461 271 C CB 1.240 28.959 27.740 -0.035 0.000 1.934 271 C HN 1.020 nan 8.230 nan 0.000 0.474 272 E N 2.524 122.668 120.200 -0.092 0.000 2.180 272 E HA 0.152 3.984 4.350 -0.864 0.000 0.283 272 E C 0.968 177.530 176.600 -0.064 0.000 1.061 272 E CA 0.223 56.559 56.400 -0.105 0.000 0.861 272 E CB 1.321 30.981 29.700 -0.066 0.000 1.056 272 E HN 0.800 nan 8.360 nan 0.000 0.407 273 T N 0.547 115.063 114.554 -0.063 0.000 2.777 273 T HA -0.189 3.643 4.350 -0.864 0.000 0.266 273 T C 1.182 175.867 174.700 -0.025 0.000 1.040 273 T CA 1.576 63.654 62.100 -0.037 0.000 1.141 273 T CB -0.886 67.969 68.868 -0.023 0.000 0.868 273 T HN 0.759 nan 8.240 nan 0.000 0.444 274 D N -0.002 120.385 120.400 -0.021 0.000 2.686 274 D HA 0.240 4.361 4.640 -0.864 0.000 0.235 274 D C 1.235 177.532 176.300 -0.005 0.000 1.160 274 D CA 1.328 55.324 54.000 -0.007 0.000 0.645 274 D CB -2.028 38.769 40.800 -0.005 0.000 1.039 274 D HN 1.717 nan 8.370 nan 0.000 0.423 275 G N -2.300 106.497 108.800 -0.004 0.000 2.288 275 G HA2 0.641 4.083 3.960 -0.864 0.000 0.227 275 G HA3 0.641 4.083 3.960 -0.864 0.000 0.227 275 G C 0.550 175.450 174.900 0.000 0.000 1.339 275 G CA 1.172 46.271 45.100 -0.001 0.000 1.057 275 G HN 1.756 nan 8.290 nan 0.000 0.470 276 A N -0.133 122.687 122.820 0.001 0.000 2.535 276 A HA 0.506 4.308 4.320 -0.864 0.000 0.273 276 A C 1.487 179.070 177.584 -0.001 0.000 1.267 276 A CA 1.427 53.468 52.037 0.006 0.000 0.940 276 A CB -0.164 18.840 19.000 0.008 0.000 1.101 276 A HN 0.963 nan 8.150 nan 0.000 0.521 277 D N 0.423 120.816 120.400 -0.013 0.000 2.144 277 D HA 0.060 4.182 4.640 -0.864 0.000 0.199 277 D C 1.375 177.647 176.300 -0.047 0.000 0.984 277 D CA 1.848 55.831 54.000 -0.029 0.000 0.834 277 D CB -0.559 40.221 40.800 -0.034 0.000 0.955 277 D HN 0.794 nan 8.370 nan 0.000 0.465 278 G N 1.523 110.300 108.800 -0.038 0.000 2.622 278 G HA2 -0.505 2.937 3.960 -0.864 0.000 0.307 278 G HA3 -0.505 2.937 3.960 -0.864 0.000 0.307 278 G C 1.008 175.756 174.900 -0.253 0.000 1.226 278 G CA 1.720 46.781 45.100 -0.066 0.000 0.997 278 G HN 0.723 nan 8.290 nan 0.000 0.551 279 K N 0.083 120.225 120.400 -0.429 0.000 2.057 279 K HA 0.084 3.885 4.320 -0.864 0.000 0.206 279 K C 2.271 178.680 176.600 -0.319 0.000 1.050 279 K CA 2.351 58.260 56.287 -0.630 0.000 0.935 279 K CB -0.421 31.693 32.500 -0.644 0.000 0.715 279 K HN 0.445 nan 8.250 nan 0.000 0.439 280 E N 0.486 120.569 120.200 -0.195 0.000 2.085 280 E HA -0.190 3.642 4.350 -0.864 0.000 0.194 280 E C 2.514 179.051 176.600 -0.105 0.000 0.994 280 E CA 1.878 58.204 56.400 -0.123 0.000 0.801 280 E CB -0.875 28.776 29.700 -0.082 0.000 0.743 280 E HN 0.788 nan 8.360 nan 0.000 0.453 281 K N 0.496 120.833 120.400 -0.104 0.000 2.097 281 K HA -0.012 3.790 4.320 -0.864 0.000 0.206 281 K C 2.134 178.687 176.600 -0.078 0.000 1.049 281 K CA 1.593 57.834 56.287 -0.076 0.000 0.933 281 K CB -0.940 31.520 32.500 -0.066 0.000 0.717 281 K HN 0.175 nan 8.250 nan 0.000 0.442 282 L N 1.655 122.804 121.223 -0.123 0.000 2.056 282 L HA -0.072 3.750 4.340 -0.864 0.000 0.207 282 L C 2.436 179.259 176.870 -0.079 0.000 1.078 282 L CA 1.847 56.624 54.840 -0.106 0.000 0.749 282 L CB -0.382 41.566 42.059 -0.186 0.000 0.901 282 L HN 0.550 nan 8.230 nan 0.000 0.433 283 E N -0.778 119.358 120.200 -0.107 0.000 2.051 283 E HA -0.302 3.530 4.350 -0.864 0.000 0.192 283 E C 1.954 178.526 176.600 -0.046 0.000 0.991 283 E CA 1.487 57.843 56.400 -0.073 0.000 0.799 283 E CB -0.215 29.436 29.700 -0.083 0.000 0.748 283 E HN 0.707 nan 8.360 nan 0.000 0.449 284 Q N 1.048 120.820 119.800 -0.048 0.000 2.079 284 Q HA -0.183 3.638 4.340 -0.864 0.000 0.200 284 Q C 2.282 178.270 176.000 -0.019 0.000 0.974 284 Q CA 1.505 57.289 55.803 -0.033 0.000 0.840 284 Q CB -0.373 28.344 28.738 -0.033 0.000 0.898 284 Q HN 0.284 nan 8.270 nan 0.000 0.430 285 M N 0.561 120.153 119.600 -0.014 0.000 2.086 285 M HA -0.116 3.845 4.480 -0.864 0.000 0.261 285 M C 1.920 178.236 176.300 0.028 0.000 1.067 285 M CA 1.451 56.758 55.300 0.012 0.000 1.116 285 M CB -0.038 32.575 32.600 0.022 0.000 1.348 285 M HN 0.183 nan 8.290 nan 0.000 0.407 286 V N 1.145 121.074 119.914 0.025 0.000 2.626 286 V HA -0.125 3.477 4.120 -0.864 0.000 0.252 286 V C 2.043 178.125 176.094 -0.020 0.000 1.067 286 V CA 1.679 63.994 62.300 0.025 0.000 1.081 286 V CB -1.292 30.553 31.823 0.037 0.000 0.686 286 V HN 0.749 nan 8.190 nan 0.000 0.468 287 G N 0.702 109.491 108.800 -0.019 0.000 3.327 287 G HA2 -0.140 3.302 3.960 -0.864 0.000 0.218 287 G HA3 -0.140 3.302 3.960 -0.864 0.000 0.218 287 G C 1.114 175.997 174.900 -0.029 0.000 1.261 287 G CA 0.678 45.763 45.100 -0.025 0.000 1.438 287 G HN 0.778 nan 8.290 nan 0.000 0.530 288 E N -0.716 119.461 120.200 -0.039 0.000 2.072 288 E HA 0.127 3.959 4.350 -0.864 0.000 0.191 288 E C 0.851 177.421 176.600 -0.049 0.000 0.985 288 E CA 1.243 57.620 56.400 -0.038 0.000 0.801 288 E CB -0.004 29.660 29.700 -0.060 0.000 0.750 288 E HN 0.590 nan 8.360 nan 0.000 0.452 289 Q N -2.110 117.653 119.800 -0.061 0.000 2.988 289 Q HA -0.023 3.799 4.340 -0.864 0.000 0.281 289 Q C -1.382 174.636 176.000 0.030 0.000 0.911 289 Q CA -0.176 55.600 55.803 -0.045 0.000 0.866 289 Q CB -1.610 27.091 28.738 -0.060 0.000 1.831 289 Q HN 0.680 nan 8.270 nan 0.000 0.576 290 Y N 0.168 120.437 120.300 -0.052 0.000 2.983 290 Y HA -0.149 3.883 4.550 -0.864 0.000 0.185 290 Y C 1.323 177.204 175.900 -0.031 0.000 1.476 290 Y CA 1.659 59.737 58.100 -0.037 0.000 0.866 290 Y CB -1.115 37.323 38.460 -0.036 0.000 1.331 290 Y HN 2.341 nan 8.280 nan 0.000 0.403 291 G N 1.514 110.419 108.800 0.176 0.000 2.131 291 G HA2 -0.290 3.151 3.960 -0.864 0.000 0.223 291 G HA3 -0.290 3.151 3.960 -0.864 0.000 0.223 291 G C 0.423 175.347 174.900 0.040 0.000 0.990 291 G CA 0.034 45.196 45.100 0.103 0.000 0.671 291 G HN 1.067 nan 8.290 nan 0.000 0.521 292 L N -0.527 120.707 121.223 0.019 0.000 2.757 292 L HA 0.313 4.135 4.340 -0.864 0.000 0.243 292 L C 0.933 177.798 176.870 -0.008 0.000 1.182 292 L CA 0.708 55.539 54.840 -0.014 0.000 0.851 292 L CB -1.162 40.882 42.059 -0.024 0.000 0.989 292 L HN 0.399 nan 8.230 nan 0.000 0.457 293 Q N 0.319 120.121 119.800 0.002 0.000 2.289 293 Q HA 0.590 4.412 4.340 -0.864 0.000 0.273 293 Q C -0.568 175.428 176.000 -0.007 0.000 1.029 293 Q CA 0.337 56.139 55.803 -0.001 0.000 0.896 293 Q CB 1.343 30.084 28.738 0.005 0.000 1.182 293 Q HN 0.197 nan 8.270 nan 0.000 0.385 294 V N 0.538 120.447 119.914 -0.008 0.000 3.022 294 V HA 0.592 4.194 4.120 -0.864 0.000 0.272 294 V C -1.322 174.767 176.094 -0.009 0.000 1.584 294 V CA -0.297 62.000 62.300 -0.005 0.000 0.974 294 V CB 1.992 33.815 31.823 -0.000 0.000 1.219 294 V HN 0.801 nan 8.190 nan 0.000 0.450 295 E N 3.936 124.135 120.200 -0.002 0.000 2.288 295 E HA 0.929 4.761 4.350 -0.864 0.000 0.268 295 E C -1.652 174.950 176.600 0.004 0.000 0.885 295 E CA -0.476 55.921 56.400 -0.005 0.000 0.767 295 E CB 2.421 32.123 29.700 0.003 0.000 1.220 295 E HN 0.708 nan 8.360 nan 0.000 0.427 296 L N 0.681 121.898 121.223 -0.010 0.000 2.309 296 L HA 0.800 4.622 4.340 -0.864 0.000 0.261 296 L C 1.152 178.049 176.870 0.045 0.000 1.021 296 L CA -0.619 54.231 54.840 0.017 0.000 0.823 296 L CB 2.764 44.806 42.059 -0.027 0.000 1.366 296 L HN 0.954 nan 8.230 nan 0.000 0.423 297 T N -3.120 111.499 114.554 0.107 0.000 2.847 297 T HA 0.270 4.101 4.350 -0.864 0.000 0.237 297 T C -0.071 174.733 174.700 0.174 0.000 1.049 297 T CA -0.442 61.722 62.100 0.107 0.000 1.107 297 T CB 0.453 69.370 68.868 0.081 0.000 2.638 297 T HN 0.597 nan 8.240 nan 0.000 0.487 298 E N 2.541 122.801 120.200 0.099 0.000 2.266 298 E HA 0.342 4.174 4.350 -0.864 0.000 0.277 298 E C -2.888 173.644 176.600 -0.113 0.000 1.018 298 E CA -2.401 54.030 56.400 0.052 0.000 0.840 298 E CB 0.987 30.690 29.700 0.004 0.000 1.082 298 E HN 0.233 nan 8.360 nan 0.000 0.395 299 P HA 0.065 nan 4.420 nan 0.000 0.269 299 P C 0.811 177.833 177.300 -0.463 0.000 1.263 299 P CA -0.337 62.317 63.100 -0.743 0.000 0.813 299 P CB 0.192 31.286 31.700 -1.009 0.000 0.868 300 I N 3.628 123.896 120.570 -0.504 0.000 2.264 300 I HA -0.101 3.551 4.170 -0.864 0.000 0.248 300 I C 1.236 177.178 176.117 -0.292 0.000 1.111 300 I CA 1.384 62.387 61.300 -0.494 0.000 1.382 300 I CB -0.380 37.109 38.000 -0.853 0.000 1.060 300 I HN 0.157 nan 8.210 nan 0.000 0.418 301 V N -1.595 118.166 119.914 -0.255 0.000 3.225 301 V HA 0.487 4.088 4.120 -0.864 0.000 0.293 301 V C -1.175 174.863 176.094 -0.094 0.000 1.405 301 V CA -0.495 61.740 62.300 -0.109 0.000 1.038 301 V CB 2.359 34.178 31.823 -0.007 0.000 1.123 301 V HN 0.067 nan 8.190 nan 0.000 0.447 302 S N 3.427 119.117 115.700 -0.017 0.000 2.526 302 S HA 0.995 4.947 4.470 -0.864 0.000 0.293 302 S C -1.247 173.423 174.600 0.118 0.000 1.092 302 S CA -0.355 57.808 58.200 -0.061 0.000 0.980 302 S CB 1.585 64.731 63.200 -0.090 0.000 1.048 302 S HN 1.121 nan 8.310 nan 0.000 0.483 303 F N -0.567 119.388 119.950 0.008 0.000 2.773 303 F HA 0.658 4.666 4.527 -0.864 0.000 0.314 303 F C -0.925 174.935 175.800 0.101 0.000 1.160 303 F CA -1.100 56.929 58.000 0.049 0.000 0.920 303 F CB 0.823 39.856 39.000 0.055 0.000 1.323 303 F HN 0.372 nan 8.300 nan 0.000 0.457 304 E N -0.013 120.405 120.200 0.363 0.000 2.222 304 E HA 0.367 4.198 4.350 -0.864 0.000 0.272 304 E C -1.746 175.144 176.600 0.483 0.000 0.982 304 E CA -0.960 55.620 56.400 0.299 0.000 0.842 304 E CB 1.912 31.734 29.700 0.204 0.000 1.144 304 E HN 0.731 nan 8.360 nan 0.000 0.397 305 H N 0.035 119.300 119.070 0.325 0.000 3.018 305 H HA 0.463 4.501 4.556 -0.864 0.000 0.334 305 H C -1.530 173.899 175.328 0.168 0.000 0.983 305 H CA -0.367 55.845 56.048 0.273 0.000 1.363 305 H CB 1.105 31.093 29.762 0.377 0.000 1.668 305 H HN 0.552 nan 8.280 nan 0.000 0.513 306 A N 4.440 127.081 122.820 -0.299 0.000 2.304 306 A HA 0.579 4.381 4.320 -0.864 0.000 0.301 306 A C -1.158 176.209 177.584 -0.361 0.000 1.132 306 A CA -0.246 51.700 52.037 -0.152 0.000 0.819 306 A CB 0.145 19.080 19.000 -0.108 0.000 1.094 306 A HN 0.497 nan 8.150 nan 0.000 0.492 307 F N -0.041 119.827 119.950 -0.137 0.000 2.631 307 F HA 0.422 4.431 4.527 -0.863 0.000 0.350 307 F C 1.798 177.585 175.800 -0.022 0.000 1.080 307 F CA 0.123 58.065 58.000 -0.096 0.000 1.026 307 F CB 1.509 40.398 39.000 -0.184 0.000 1.347 307 F HN 0.573 nan 8.300 nan 0.000 0.501 308 S N -0.779 115.107 115.700 0.310 0.000 2.489 308 S HA -0.107 3.844 4.470 -0.864 0.000 0.228 308 S C 0.939 175.710 174.600 0.284 0.000 0.995 308 S CA 1.247 59.595 58.200 0.247 0.000 0.934 308 S CB -0.702 62.664 63.200 0.276 0.000 0.771 308 S HN 0.814 nan 8.310 nan 0.000 0.522 309 H N 0.147 119.302 119.070 0.142 0.000 3.233 309 H HA 0.595 4.633 4.556 -0.864 0.000 0.263 309 H C -0.006 175.349 175.328 0.044 0.000 1.168 309 H CA -0.221 55.873 56.048 0.076 0.000 1.159 309 H CB -0.323 29.470 29.762 0.051 0.000 1.593 309 H HN 0.529 nan 8.280 nan 0.000 0.580 310 L N -2.418 118.654 121.223 -0.252 0.000 3.079 310 L HA 0.695 4.517 4.340 -0.864 0.000 0.278 310 L C -1.975 174.898 176.870 0.004 0.000 1.026 310 L CA -1.270 53.447 54.840 -0.205 0.000 0.963 310 L CB 2.024 43.828 42.059 -0.425 0.000 1.526 310 L HN -0.223 nan 8.230 nan 0.000 0.397 311 V N 0.379 120.346 119.914 0.088 0.000 2.577 311 V HA 0.476 4.078 4.120 -0.864 0.000 0.303 311 V C -1.363 174.967 176.094 0.393 0.000 1.042 311 V CA -0.062 62.384 62.300 0.243 0.000 0.872 311 V CB 1.891 33.816 31.823 0.170 0.000 0.998 311 V HN 0.688 nan 8.190 nan 0.000 0.423 312 W N 3.530 125.012 121.300 0.303 0.000 2.332 312 W HA 0.532 4.674 4.660 -0.862 0.000 0.306 312 W C 0.315 176.904 176.519 0.118 0.000 1.149 312 W CA -1.026 56.454 57.345 0.226 0.000 1.271 312 W CB 0.903 30.598 29.460 0.392 0.000 1.243 312 W HN 0.540 nan 8.180 nan 0.000 0.459 313 Q N 3.847 123.761 119.800 0.191 0.000 2.465 313 Q HA 0.325 4.147 4.340 -0.864 0.000 0.237 313 Q C -0.556 175.363 176.000 -0.134 0.000 1.051 313 Q CA -0.554 55.264 55.803 0.025 0.000 0.874 313 Q CB 0.594 29.348 28.738 0.027 0.000 1.207 313 Q HN 0.235 nan 8.270 nan 0.000 0.508 314 L N 1.161 122.196 121.223 -0.313 0.000 2.399 314 L HA 0.598 4.420 4.340 -0.864 0.000 0.265 314 L C 0.197 176.796 176.870 -0.451 0.000 1.089 314 L CA -0.213 54.352 54.840 -0.459 0.000 0.802 314 L CB 1.340 42.986 42.059 -0.688 0.000 1.180 314 L HN 0.326 nan 8.230 nan 0.000 0.454 315 T N 0.207 114.554 114.554 -0.344 0.000 3.109 315 T HA 0.474 4.306 4.350 -0.864 0.000 0.311 315 T C -0.710 173.751 174.700 -0.398 0.000 1.011 315 T CA -0.573 61.319 62.100 -0.347 0.000 1.026 315 T CB 1.490 70.188 68.868 -0.283 0.000 1.047 315 T HN 0.207 nan 8.240 nan 0.000 0.448 316 V N 3.523 123.176 119.914 -0.435 0.000 2.509 316 V HA 0.567 4.169 4.120 -0.864 0.000 0.284 316 V C -0.783 174.977 176.094 -0.557 0.000 1.047 316 V CA -0.558 61.531 62.300 -0.351 0.000 0.952 316 V CB 0.510 32.201 31.823 -0.220 0.000 0.988 316 V HN 0.806 nan 8.190 nan 0.000 0.469 317 F N 5.296 125.159 119.950 -0.146 0.000 2.445 317 F HA 0.524 4.533 4.527 -0.864 0.000 0.348 317 F C -2.335 173.396 175.800 -0.116 0.000 1.125 317 F CA -2.403 55.518 58.000 -0.130 0.000 0.983 317 F CB 1.894 40.841 39.000 -0.088 0.000 1.198 317 F HN 0.334 nan 8.300 nan 0.000 0.436 318 P HA 0.510 nan 4.420 nan 0.000 0.277 318 P C -0.263 177.092 177.300 0.093 0.000 1.240 318 P CA -0.359 62.766 63.100 0.040 0.000 0.798 318 P CB 1.323 32.966 31.700 -0.096 0.000 0.979 319 G N 0.618 109.485 108.800 0.112 0.000 2.579 319 G HA2 0.446 3.888 3.960 -0.864 0.000 0.292 319 G HA3 0.446 3.888 3.960 -0.864 0.000 0.292 319 G C -1.655 173.300 174.900 0.092 0.000 1.484 319 G CA -0.816 44.338 45.100 0.091 0.000 0.813 319 G HN 0.314 nan 8.290 nan 0.000 0.515 320 R N 0.268 120.809 120.500 0.067 0.000 2.346 320 R HA 0.551 4.373 4.340 -0.864 0.000 0.311 320 R C -0.976 175.333 176.300 0.015 0.000 0.983 320 R CA -0.820 55.310 56.100 0.051 0.000 0.880 320 R CB 2.286 32.614 30.300 0.046 0.000 1.100 320 R HN 0.364 nan 8.270 nan 0.000 0.453 321 L N 2.651 123.867 121.223 -0.013 0.000 2.343 321 L HA 0.473 4.294 4.340 -0.864 0.000 0.275 321 L C -0.814 175.966 176.870 -0.149 0.000 1.056 321 L CA -0.655 54.136 54.840 -0.082 0.000 0.804 321 L CB 1.960 43.951 42.059 -0.113 0.000 1.203 321 L HN 0.344 nan 8.230 nan 0.000 0.440 322 V N 4.134 123.949 119.914 -0.165 0.000 2.577 322 V HA 0.370 3.972 4.120 -0.864 0.000 0.303 322 V C -0.721 175.278 176.094 -0.157 0.000 1.042 322 V CA -0.804 61.403 62.300 -0.156 0.000 0.872 322 V CB 1.641 33.436 31.823 -0.046 0.000 0.998 322 V HN 0.673 nan 8.190 nan 0.000 0.423 323 H N 3.423 122.510 119.070 0.029 0.000 2.819 323 H HA 0.375 4.412 4.556 -0.864 0.000 0.303 323 H C 0.806 176.147 175.328 0.022 0.000 1.058 323 H CA 0.431 56.491 56.048 0.021 0.000 1.471 323 H CB 1.572 31.342 29.762 0.014 0.000 1.480 323 H HN 0.861 nan 8.280 nan 0.000 0.517 324 G N 1.652 110.541 108.800 0.148 0.000 3.829 324 G HA2 0.397 3.839 3.960 -0.864 0.000 0.279 324 G HA3 0.397 3.839 3.960 -0.864 0.000 0.279 324 G C 0.451 175.426 174.900 0.125 0.000 1.008 324 G CA 0.364 45.530 45.100 0.111 0.000 0.840 324 G HN 0.895 nan 8.290 nan 0.000 0.474 325 G N -0.295 108.557 108.800 0.088 0.000 2.430 325 G HA2 0.570 4.011 3.960 -0.864 0.000 0.300 325 G HA3 0.570 4.011 3.960 -0.864 0.000 0.300 325 G C -3.185 171.591 174.900 -0.206 0.000 1.330 325 G CA -0.662 44.417 45.100 -0.036 0.000 0.813 325 G HN 0.032 nan 8.290 nan 0.000 0.487 326 P HA 0.469 nan 4.420 nan 0.000 0.275 326 P C -0.513 176.648 177.300 -0.232 0.000 1.270 326 P CA -0.496 62.377 63.100 -0.379 0.000 0.791 326 P CB 0.724 32.115 31.700 -0.515 0.000 1.089 327 V N 0.593 120.434 119.914 -0.120 0.000 2.370 327 V HA 0.270 3.872 4.120 -0.864 0.000 0.283 327 V C 0.062 176.161 176.094 0.008 0.000 1.023 327 V CA -0.285 62.005 62.300 -0.017 0.000 0.857 327 V CB 0.801 32.653 31.823 0.050 0.000 0.985 327 V HN 0.448 nan 8.190 nan 0.000 0.443 328 E N 2.876 123.103 120.200 0.046 0.000 2.179 328 E HA 0.379 4.211 4.350 -0.864 0.000 0.275 328 E C -0.272 176.437 176.600 0.181 0.000 0.945 328 E CA -0.629 55.826 56.400 0.092 0.000 0.792 328 E CB 1.037 30.802 29.700 0.109 0.000 1.125 328 E HN 0.581 nan 8.360 nan 0.000 0.397 329 E N 3.780 124.070 120.200 0.149 0.000 2.568 329 E HA -0.075 3.756 4.350 -0.864 0.000 0.262 329 E C -1.451 175.258 176.600 0.181 0.000 0.961 329 E CA -0.433 56.056 56.400 0.149 0.000 0.945 329 E CB 0.290 30.043 29.700 0.089 0.000 0.924 329 E HN 0.418 nan 8.360 nan 0.000 0.467 330 P HA -0.048 nan 4.420 nan 0.000 0.245 330 P C -0.203 177.145 177.300 0.081 0.000 1.206 330 P CA 0.352 63.467 63.100 0.025 0.000 0.781 330 P CB 0.165 31.780 31.700 -0.143 0.000 0.994 331 Y N 0.984 121.328 120.300 0.074 0.000 2.480 331 Y HA 0.211 4.243 4.550 -0.863 0.000 0.338 331 Y C 1.442 177.434 175.900 0.153 0.000 1.220 331 Y CA 0.026 58.197 58.100 0.119 0.000 1.430 331 Y CB 0.471 38.988 38.460 0.094 0.000 1.311 331 Y HN -0.165 nan 8.280 nan 0.000 0.575 332 R N 1.741 122.412 120.500 0.285 0.000 2.698 332 R HA 0.570 4.391 4.340 -0.864 0.000 0.275 332 R C -2.256 174.083 176.300 0.066 0.000 1.001 332 R CA -1.016 55.169 56.100 0.142 0.000 0.896 332 R CB 1.287 31.607 30.300 0.033 0.000 1.218 332 R HN 0.628 nan 8.270 nan 0.000 0.462 333 L N 2.789 124.041 121.223 0.049 0.000 2.272 333 L HA 0.787 4.608 4.340 -0.864 0.000 0.289 333 L C -1.273 175.600 176.870 0.006 0.000 1.032 333 L CA 0.020 54.895 54.840 0.060 0.000 0.810 333 L CB 1.548 43.669 42.059 0.104 0.000 1.205 333 L HN 0.761 nan 8.230 nan 0.000 0.422 334 A N 6.531 129.343 122.820 -0.013 0.000 2.356 334 A HA 0.876 4.678 4.320 -0.864 0.000 0.310 334 A C -2.792 174.814 177.584 0.036 0.000 1.075 334 A CA -1.598 50.430 52.037 -0.015 0.000 0.746 334 A CB 1.033 19.951 19.000 -0.136 0.000 1.221 334 A HN 0.541 nan 8.150 nan 0.000 0.443 335 P HA 0.178 nan 4.420 nan 0.000 0.275 335 P C 0.772 178.108 177.300 0.060 0.000 1.227 335 P CA -0.095 63.048 63.100 0.073 0.000 0.781 335 P CB 0.846 32.586 31.700 0.067 0.000 0.906 336 E N 2.357 122.614 120.200 0.095 0.000 2.119 336 E HA -0.322 3.510 4.350 -0.864 0.000 0.221 336 E C 1.060 177.692 176.600 0.055 0.000 1.062 336 E CA 2.100 58.560 56.400 0.100 0.000 0.894 336 E CB -0.252 29.594 29.700 0.243 0.000 0.785 336 E HN 0.619 nan 8.360 nan 0.000 0.472 337 D N -0.554 119.894 120.400 0.078 0.000 2.407 337 D HA -0.173 3.949 4.640 -0.864 0.000 0.234 337 D C 0.957 177.276 176.300 0.033 0.000 1.029 337 D CA 0.815 54.850 54.000 0.058 0.000 0.937 337 D CB -0.048 40.786 40.800 0.057 0.000 0.882 337 D HN 0.300 nan 8.370 nan 0.000 0.531 338 E N -0.750 119.470 120.200 0.034 0.000 2.641 338 E HA 0.200 4.032 4.350 -0.864 0.000 0.224 338 E C 1.909 178.576 176.600 0.111 0.000 0.951 338 E CA -0.208 56.219 56.400 0.044 0.000 1.102 338 E CB 0.429 30.168 29.700 0.066 0.000 1.091 338 E HN 0.111 nan 8.360 nan 0.000 0.507 339 L N 1.433 122.689 121.223 0.054 0.000 2.201 339 L HA -0.135 3.687 4.340 -0.864 0.000 0.212 339 L C 2.200 179.184 176.870 0.189 0.000 1.105 339 L CA 1.219 56.113 54.840 0.089 0.000 0.775 339 L CB -0.382 41.478 42.059 -0.332 0.000 0.913 339 L HN 0.139 nan 8.230 nan 0.000 0.440 340 K N 0.311 120.743 120.400 0.054 0.000 2.515 340 K HA -0.018 3.784 4.320 -0.864 0.000 0.196 340 K C 1.661 178.264 176.600 0.005 0.000 1.038 340 K CA 1.020 57.337 56.287 0.050 0.000 0.967 340 K CB -0.096 32.416 32.500 0.020 0.000 0.780 340 K HN 0.191 nan 8.250 nan 0.000 0.483 341 A N 0.510 123.268 122.820 -0.103 0.000 2.178 341 A HA 0.118 3.920 4.320 -0.864 0.000 0.211 341 A C -0.153 177.109 177.584 -0.537 0.000 1.157 341 A CA 0.029 51.853 52.037 -0.354 0.000 0.780 341 A CB -0.207 18.466 19.000 -0.546 0.000 0.828 341 A HN 0.295 nan 8.150 nan 0.000 0.476 342 Y N -0.902 119.300 120.300 -0.163 0.000 2.420 342 Y HA 0.590 4.622 4.550 -0.864 0.000 0.334 342 Y C 0.497 176.286 175.900 -0.184 0.000 1.094 342 Y CA -0.969 56.903 58.100 -0.380 0.000 1.126 342 Y CB 1.353 39.270 38.460 -0.904 0.000 1.217 342 Y HN 0.096 nan 8.280 nan 0.000 0.462 343 A N 3.776 126.589 122.820 -0.011 0.000 2.269 343 A HA 0.638 4.440 4.320 -0.864 0.000 0.302 343 A C -1.196 176.325 177.584 -0.105 0.000 1.266 343 A CA -0.332 51.744 52.037 0.064 0.000 0.894 343 A CB -0.587 18.477 19.000 0.106 0.000 1.147 343 A HN 0.631 nan 8.150 nan 0.000 0.537 344 F N 2.910 122.901 119.950 0.069 0.000 2.470 344 F HA 0.501 4.510 4.527 -0.865 0.000 0.329 344 F C -1.917 173.897 175.800 0.024 0.000 1.072 344 F CA -2.296 55.716 58.000 0.019 0.000 0.989 344 F CB 1.429 40.438 39.000 0.016 0.000 1.193 344 F HN 0.356 nan 8.300 nan 0.000 0.481 345 P HA -0.013 nan 4.420 nan 0.000 0.270 345 P C 0.777 178.231 177.300 0.256 0.000 1.227 345 P CA 0.008 63.207 63.100 0.165 0.000 0.788 345 P CB 0.580 32.379 31.700 0.164 0.000 0.926 346 V N 0.660 120.709 119.914 0.225 0.000 2.427 346 V HA -0.223 3.378 4.120 -0.864 0.000 0.248 346 V C 2.294 178.464 176.094 0.127 0.000 1.051 346 V CA 2.546 64.981 62.300 0.226 0.000 1.048 346 V CB -1.524 30.488 31.823 0.316 0.000 0.666 346 V HN 0.674 nan 8.190 nan 0.000 0.456 347 S N -0.348 115.223 115.700 -0.214 0.000 2.353 347 S HA -0.303 3.649 4.470 -0.864 0.000 0.222 347 S C 1.916 176.703 174.600 0.311 0.000 1.035 347 S CA 1.807 59.908 58.200 -0.165 0.000 1.025 347 S CB -0.849 62.208 63.200 -0.237 0.000 0.902 347 S HN 0.714 nan 8.310 nan 0.000 0.440 348 H N 1.488 120.723 119.070 0.275 0.000 2.457 348 H HA 0.058 4.095 4.556 -0.864 0.000 0.294 348 H C 2.391 177.935 175.328 0.361 0.000 1.064 348 H CA 1.364 57.649 56.048 0.395 0.000 1.330 348 H CB -0.063 29.936 29.762 0.394 0.000 1.395 348 H HN 0.596 nan 8.280 nan 0.000 0.541 349 Q N 0.283 120.298 119.800 0.359 0.000 2.224 349 Q HA -0.107 3.714 4.340 -0.864 0.000 0.203 349 Q C 2.335 178.485 176.000 0.250 0.000 0.970 349 Q CA 0.659 56.613 55.803 0.251 0.000 0.865 349 Q CB 0.147 29.015 28.738 0.217 0.000 0.922 349 Q HN 0.329 nan 8.270 nan 0.000 0.445 350 R N 0.167 120.788 120.500 0.202 0.000 2.075 350 R HA -0.067 3.754 4.340 -0.864 0.000 0.226 350 R C 2.195 178.560 176.300 0.108 0.000 1.114 350 R CA 0.683 56.816 56.100 0.055 0.000 0.972 350 R CB -0.061 30.129 30.300 -0.184 0.000 0.869 350 R HN 0.079 nan 8.270 nan 0.000 0.437 351 V N 0.716 120.793 119.914 0.272 0.000 2.277 351 V HA -0.346 3.256 4.120 -0.864 0.000 0.255 351 V C 1.990 178.160 176.094 0.126 0.000 1.074 351 V CA 2.219 64.659 62.300 0.234 0.000 1.058 351 V CB -0.673 31.261 31.823 0.185 0.000 0.656 351 V HN 0.603 nan 8.190 nan 0.000 0.449 352 W N 0.551 121.867 121.300 0.026 0.000 2.584 352 W HA -0.047 4.095 4.660 -0.864 0.000 0.264 352 W C 2.550 179.120 176.519 0.086 0.000 1.264 352 W CA 1.325 58.657 57.345 -0.021 0.000 1.306 352 W CB -0.038 29.456 29.460 0.056 0.000 1.110 352 W HN 0.212 nan 8.180 nan 0.000 0.606 353 R N 0.649 121.216 120.500 0.111 0.000 2.062 353 R HA -0.112 3.709 4.340 -0.864 0.000 0.226 353 R C 2.020 178.298 176.300 -0.036 0.000 1.125 353 R CA 1.368 57.479 56.100 0.020 0.000 0.966 353 R CB -0.364 29.966 30.300 0.051 0.000 0.861 353 R HN -0.117 nan 8.270 nan 0.000 0.433 354 E N -0.084 120.102 120.200 -0.023 0.000 2.209 354 E HA -0.237 3.594 4.350 -0.864 0.000 0.196 354 E C 1.489 178.096 176.600 0.012 0.000 0.993 354 E CA 1.163 57.554 56.400 -0.016 0.000 0.819 354 E CB -0.276 29.422 29.700 -0.003 0.000 0.745 354 E HN 0.491 nan 8.360 nan 0.000 0.477 355 Y N 1.440 121.630 120.300 -0.184 0.000 2.159 355 Y HA -0.128 3.904 4.550 -0.864 0.000 0.285 355 Y C 2.586 178.389 175.900 -0.163 0.000 1.106 355 Y CA 2.629 60.600 58.100 -0.215 0.000 1.095 355 Y CB -0.434 37.782 38.460 -0.407 0.000 1.015 355 Y HN -0.044 nan 8.280 nan 0.000 0.491 356 K N 1.450 121.712 120.400 -0.231 0.000 2.442 356 K HA -0.184 3.618 4.320 -0.864 0.000 0.199 356 K C 1.575 178.053 176.600 -0.203 0.000 1.044 356 K CA 1.847 57.934 56.287 -0.332 0.000 0.941 356 K CB -1.209 31.005 32.500 -0.477 0.000 0.759 356 K HN 0.857 nan 8.250 nan 0.000 0.472 357 E N -2.281 117.844 120.200 -0.125 0.000 2.251 357 E HA -0.074 3.757 4.350 -0.864 0.000 0.194 357 E C 1.956 178.517 176.600 -0.065 0.000 0.964 357 E CA 0.217 56.569 56.400 -0.080 0.000 0.868 357 E CB -0.399 29.275 29.700 -0.042 0.000 0.828 357 E HN 0.687 nan 8.360 nan 0.000 0.481 358 W N 2.413 123.568 121.300 -0.242 0.000 2.374 358 W HA 0.034 4.175 4.660 -0.864 0.000 0.288 358 W C 1.471 177.830 176.519 -0.268 0.000 1.218 358 W CA 1.684 58.888 57.345 -0.236 0.000 1.245 358 W CB -0.002 29.303 29.460 -0.257 0.000 1.126 358 W HN 0.100 nan 8.180 nan 0.000 0.545 359 A N 0.979 123.515 122.820 -0.473 0.000 2.503 359 A HA 0.514 4.316 4.320 -0.864 0.000 0.263 359 A C -0.060 177.283 177.584 -0.403 0.000 1.360 359 A CA 0.534 52.169 52.037 -0.670 0.000 0.969 359 A CB -0.581 18.102 19.000 -0.529 0.000 1.000 359 A HN 0.099 nan 8.150 nan 0.000 0.530 360 S N 0.000 115.499 115.700 -0.334 0.000 2.498 360 S HA 0.000 3.952 4.470 -0.864 0.000 0.327 360 S CA 0.000 58.072 58.200 -0.213 0.000 1.107 360 S CB 0.000 63.113 63.200 -0.145 0.000 0.593 360 S HN 0.000 nan 8.310 nan 0.000 0.517