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 1jqk_1_B DATA FIRST_RESID 28 DATA SEQUENCE ETAWHRYEKQ QPQCGFGSAG LCCRICLKGP CRIDPFGEGP KYGVCGADRD DATA SEQUENCE TIVARHLVRM IAAGTAAHSE HGRHIALAMQ HISQGELHDY SIRDEAKLYA DATA SEQUENCE IAKTLGVATE GRGLLAIVGD LAAITLGDFQ NQDYDKPCAW LAASLTPRRV DATA SEQUENCE KRLGDLGLLP HNIDASVAQT MSRTHVGCDA DPTNLILGGL RVAMADLDGS DATA SEQUENCE MLATELSDAL FGTPQPVVSA ANLGVMKRGA VNIAVNGHNP MLSDIICDVA DATA SEQUENCE ADLRDEAIAA GAAEGINIIG ICCTGHEVMM RHGVPLATNY LSQELPILTG DATA SEQUENCE ALEAMVVDVQ CIMPSLPRIA ECFHTQIITT DKHNKISGAT HVPFDEHKAV DATA SEQUENCE ETAKTIIRMA IAAFGRRDPN RVAIPAFKQK SIVGFSAEAV VAALAKVNAD DATA SEQUENCE DPLKPLVDNV VNGNIQGIVL FVGCNTTKVQ QDSAYVDLAK SLAKRNVLVL DATA SEQUENCE ATGCAAGAFA KAGLMTSEAT TQYAGEGLKG VLSAIGTAAG LGGPLPLVMH DATA SEQUENCE MGSCVDNSRA VALATALANK LGVDLSDLPL VASAPECMSE KALAIGSWAV DATA SEQUENCE TIGLPTHVGS VPPVIGSQIV TKLVTETAKD LVGGYFIVDT DPKSAGDKLY DATA SEQUENCE AAIQERRAGL 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 28 E HA 0.000 nan 4.350 nan 0.000 0.291 28 E C 0.000 176.572 176.600 -0.047 0.000 1.382 28 E CA 0.000 56.495 56.400 0.159 0.000 0.976 28 E CB 0.000 29.782 29.700 0.137 0.000 0.812 29 T N 1.460 115.798 114.554 -0.361 0.000 2.852 29 T HA 0.606 4.956 4.350 -0.000 0.000 0.281 29 T C 1.289 175.906 174.700 -0.139 0.000 0.993 29 T CA 0.463 62.397 62.100 -0.276 0.000 0.933 29 T CB 1.092 69.763 68.868 -0.327 0.000 1.187 29 T HN 0.550 nan 8.240 nan 0.000 0.559 30 A N 0.300 123.005 122.820 -0.193 0.000 1.930 30 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 30 A C 2.278 179.764 177.584 -0.162 0.000 1.175 30 A CA 1.071 52.929 52.037 -0.297 0.000 0.627 30 A CB -0.740 17.872 19.000 -0.646 0.000 0.815 30 A HN 0.900 nan 8.150 nan 0.000 0.443 31 W N -0.202 121.098 121.300 0.000 0.000 2.388 31 W HA -0.125 4.535 4.660 -0.000 0.000 0.294 31 W C 2.265 178.963 176.519 0.297 0.000 1.212 31 W CA 1.277 58.709 57.345 0.145 0.000 1.271 31 W CB -0.971 28.559 29.460 0.116 0.000 1.126 31 W HN 0.660 nan 8.180 nan 0.000 0.535 32 H N -0.186 119.064 119.070 0.299 0.000 2.256 32 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 32 H C 2.443 177.844 175.328 0.121 0.000 1.071 32 H CA 1.174 57.328 56.048 0.176 0.000 1.280 32 H CB -0.283 29.556 29.762 0.129 0.000 1.370 32 H HN -0.057 nan 8.280 nan 0.000 0.490 33 R N 0.222 120.861 120.500 0.233 0.000 2.133 33 R HA -0.243 4.097 4.340 -0.000 0.000 0.247 33 R C 2.343 178.716 176.300 0.121 0.000 1.151 33 R CA 1.875 58.051 56.100 0.126 0.000 0.971 33 R CB -0.532 29.811 30.300 0.072 0.000 0.866 33 R HN 0.422 nan 8.270 nan 0.000 0.447 34 Y N 2.044 122.373 120.300 0.047 0.000 2.145 34 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 34 Y C 2.111 178.044 175.900 0.055 0.000 1.145 34 Y CA 1.494 59.614 58.100 0.033 0.000 1.148 34 Y CB -0.133 38.339 38.460 0.019 0.000 0.981 34 Y HN -0.044 nan 8.280 nan 0.000 0.507 35 E N 0.911 121.033 120.200 -0.129 0.000 2.058 35 E HA -0.216 4.133 4.350 -0.000 0.000 0.194 35 E C 2.004 178.493 176.600 -0.185 0.000 0.997 35 E CA 1.783 58.051 56.400 -0.219 0.000 0.801 35 E CB -0.352 29.345 29.700 -0.005 0.000 0.746 35 E HN 0.589 nan 8.360 nan 0.000 0.450 36 K N 0.576 120.930 120.400 -0.076 0.000 2.360 36 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 36 K C 1.992 178.545 176.600 -0.079 0.000 1.046 36 K CA 0.689 56.943 56.287 -0.055 0.000 0.940 36 K CB 0.042 32.538 32.500 -0.006 0.000 0.748 36 K HN 0.049 nan 8.250 nan 0.000 0.465 37 Q N 0.519 120.246 119.800 -0.122 0.000 2.389 37 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 37 Q C 0.258 176.176 176.000 -0.137 0.000 0.944 37 Q CA 0.695 56.437 55.803 -0.103 0.000 0.908 37 Q CB 0.300 28.997 28.738 -0.068 0.000 1.002 37 Q HN 0.308 nan 8.270 nan 0.000 0.493 38 Q N 2.130 121.796 119.800 -0.223 0.000 2.313 38 Q HA 0.182 4.522 4.340 -0.000 0.000 0.266 38 Q C -1.881 174.060 176.000 -0.099 0.000 0.989 38 Q CA -1.063 54.626 55.803 -0.190 0.000 0.890 38 Q CB 0.333 28.919 28.738 -0.254 0.000 1.200 38 Q HN 0.160 nan 8.270 nan 0.000 0.396 39 P HA 0.184 nan 4.420 nan 0.000 0.292 39 P C -0.769 176.513 177.300 -0.030 0.000 1.287 39 P CA -0.439 62.632 63.100 -0.048 0.000 0.800 39 P CB 1.118 32.802 31.700 -0.026 0.000 0.945 40 Q N 1.016 120.802 119.800 -0.022 0.000 2.373 40 Q HA 0.153 4.493 4.340 -0.000 0.000 0.255 40 Q C 0.315 176.325 176.000 0.017 0.000 0.980 40 Q CA -0.412 55.394 55.803 0.004 0.000 0.882 40 Q CB 0.664 29.420 28.738 0.029 0.000 1.249 40 Q HN 0.566 nan 8.270 nan 0.000 0.438 41 C N 2.564 121.883 119.300 0.031 0.000 2.378 41 C HA -0.013 4.447 4.460 -0.000 0.000 0.395 41 C C 1.825 176.838 174.990 0.038 0.000 1.476 41 C CA 0.564 59.617 59.018 0.058 0.000 1.541 41 C CB -0.777 27.012 27.740 0.082 0.000 2.524 41 C HN 0.999 nan 8.230 nan 0.000 0.595 42 G N 3.599 112.403 108.800 0.008 0.000 2.408 42 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.215 42 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.215 42 G C 1.131 175.953 174.900 -0.130 0.000 1.156 42 G CA 0.507 45.552 45.100 -0.092 0.000 0.793 42 G HN 0.777 nan 8.290 nan 0.000 0.535 43 F N 1.689 121.613 119.950 -0.044 0.000 2.134 43 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 43 F C 2.886 178.638 175.800 -0.080 0.000 1.097 43 F CA 1.151 59.109 58.000 -0.069 0.000 1.264 43 F CB -0.443 38.514 39.000 -0.072 0.000 1.001 43 F HN 0.191 nan 8.300 nan 0.000 0.479 44 G N -0.756 108.115 108.800 0.119 0.000 2.453 44 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 44 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 44 G C 1.850 176.738 174.900 -0.020 0.000 1.201 44 G CA 1.110 46.216 45.100 0.010 0.000 0.784 44 G HN 0.322 nan 8.290 nan 0.000 0.545 45 S N 1.052 116.749 115.700 -0.006 0.000 2.392 45 S HA -0.163 4.307 4.470 -0.000 0.000 0.232 45 S C 2.571 177.155 174.600 -0.027 0.000 1.041 45 S CA 1.479 59.672 58.200 -0.013 0.000 1.026 45 S CB -0.360 62.833 63.200 -0.011 0.000 0.845 45 S HN 0.635 nan 8.310 nan 0.000 0.465 46 A N -0.026 122.770 122.820 -0.040 0.000 2.169 46 A HA 0.461 4.781 4.320 -0.000 0.000 0.212 46 A C 1.716 179.278 177.584 -0.037 0.000 1.153 46 A CA 0.965 52.973 52.037 -0.048 0.000 0.756 46 A CB -0.731 18.216 19.000 -0.089 0.000 0.813 46 A HN 1.026 nan 8.150 nan 0.000 0.471 47 G N -1.109 107.664 108.800 -0.045 0.000 2.147 47 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 47 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 47 G C 0.335 175.209 174.900 -0.043 0.000 1.005 47 G CA 0.385 45.442 45.100 -0.072 0.000 0.713 47 G HN 0.520 nan 8.290 nan 0.000 0.515 48 L N 0.116 121.344 121.223 0.009 0.000 2.928 48 L HA 0.455 4.795 4.340 -0.000 0.000 0.236 48 L C 0.949 177.863 176.870 0.073 0.000 1.290 48 L CA -0.282 54.596 54.840 0.063 0.000 1.099 48 L CB 0.285 42.420 42.059 0.127 0.000 1.437 48 L HN 0.409 nan 8.230 nan 0.000 0.493 49 C N -0.538 118.751 119.300 -0.018 0.000 2.783 49 C HA 0.715 5.175 4.460 -0.000 0.000 0.312 49 C C -0.735 174.197 174.990 -0.096 0.000 1.182 49 C CA -1.052 57.925 59.018 -0.069 0.000 1.432 49 C CB 1.338 29.037 27.740 -0.068 0.000 1.933 49 C HN 0.525 nan 8.230 nan 0.000 0.473 50 C N 5.994 125.246 119.300 -0.080 0.000 2.516 50 C HA 0.695 5.155 4.460 -0.000 0.000 0.338 50 C C 0.182 175.142 174.990 -0.051 0.000 1.132 50 C CA -0.430 58.555 59.018 -0.056 0.000 1.310 50 C CB 0.557 28.277 27.740 -0.033 0.000 1.898 50 C HN 1.052 nan 8.230 nan 0.000 0.452 51 R N 4.509 124.988 120.500 -0.035 0.000 2.700 51 R HA 0.283 4.623 4.340 -0.000 0.000 0.377 51 R C 1.004 177.289 176.300 -0.026 0.000 1.130 51 R CA -0.161 55.919 56.100 -0.033 0.000 1.055 51 R CB 0.243 30.528 30.300 -0.026 0.000 1.387 51 R HN 0.772 nan 8.270 nan 0.000 0.580 52 I N 0.526 121.078 120.570 -0.031 0.000 2.756 52 I HA -0.165 4.005 4.170 -0.000 0.000 0.262 52 I C 1.102 177.163 176.117 -0.092 0.000 1.225 52 I CA 0.717 61.988 61.300 -0.049 0.000 1.472 52 I CB 0.038 38.007 38.000 -0.052 0.000 1.094 52 I HN 0.359 nan 8.210 nan 0.000 0.454 53 C N -2.384 116.866 119.300 -0.082 0.000 3.291 53 C HA 0.367 4.826 4.460 -0.000 0.000 0.316 53 C C 1.198 176.154 174.990 -0.056 0.000 1.391 53 C CA -1.108 57.857 59.018 -0.089 0.000 1.394 53 C CB 0.943 28.610 27.740 -0.122 0.000 1.744 53 C HN 0.183 nan 8.230 nan 0.000 0.461 54 L N 0.709 121.906 121.223 -0.045 0.000 2.465 54 L HA 0.020 4.360 4.340 -0.000 0.000 0.224 54 L C 2.354 179.204 176.870 -0.033 0.000 1.145 54 L CA 0.957 55.777 54.840 -0.033 0.000 0.834 54 L CB -0.548 41.498 42.059 -0.022 0.000 0.944 54 L HN 0.799 nan 8.230 nan 0.000 0.451 55 K N 0.469 120.846 120.400 -0.037 0.000 2.515 55 K HA -0.001 4.319 4.320 -0.000 0.000 0.196 55 K C 1.237 177.815 176.600 -0.038 0.000 1.038 55 K CA 0.354 56.621 56.287 -0.033 0.000 0.967 55 K CB 0.023 32.504 32.500 -0.032 0.000 0.780 55 K HN 0.355 nan 8.250 nan 0.000 0.483 56 G N 2.006 110.779 108.800 -0.043 0.000 2.606 56 G HA2 0.235 4.195 3.960 -0.000 0.000 0.262 56 G HA3 0.235 4.195 3.960 -0.000 0.000 0.262 56 G C -2.484 172.384 174.900 -0.053 0.000 1.394 56 G CA -0.892 44.177 45.100 -0.051 0.000 1.044 56 G HN -0.035 nan 8.290 nan 0.000 0.553 57 P HA 0.313 nan 4.420 nan 0.000 0.282 57 P C -0.684 176.554 177.300 -0.104 0.000 1.262 57 P CA -0.235 62.817 63.100 -0.080 0.000 0.773 57 P CB 0.794 32.442 31.700 -0.086 0.000 0.879 58 C N 4.920 124.164 119.300 -0.094 0.000 2.388 58 C HA 0.550 5.010 4.460 -0.000 0.000 0.362 58 C C 1.044 175.950 174.990 -0.141 0.000 1.266 58 C CA -0.482 58.475 59.018 -0.101 0.000 2.028 58 C CB 0.085 27.791 27.740 -0.056 0.000 2.440 58 C HN 0.628 nan 8.230 nan 0.000 0.547 59 R N 2.493 122.871 120.500 -0.203 0.000 2.854 59 R HA 0.810 5.150 4.340 -0.000 0.000 0.271 59 R C -1.559 174.663 176.300 -0.130 0.000 0.994 59 R CA -0.702 55.240 56.100 -0.264 0.000 0.945 59 R CB 1.033 30.874 30.300 -0.767 0.000 1.194 59 R HN 0.405 nan 8.270 nan 0.000 0.476 60 I N 1.615 122.191 120.570 0.010 0.000 2.378 60 I HA 0.154 4.324 4.170 -0.000 0.000 0.291 60 I C -0.668 175.505 176.117 0.094 0.000 0.992 60 I CA -0.825 60.485 61.300 0.018 0.000 1.154 60 I CB 1.385 39.378 38.000 -0.012 0.000 1.315 60 I HN 0.740 nan 8.210 nan 0.000 0.448 61 D N 9.611 130.016 120.400 0.008 0.000 2.365 61 D HA 0.247 4.887 4.640 -0.000 0.000 0.237 61 D C -1.285 174.858 176.300 -0.260 0.000 1.190 61 D CA -1.737 52.219 54.000 -0.072 0.000 0.867 61 D CB 1.428 42.213 40.800 -0.024 0.000 1.050 61 D HN 0.241 nan 8.370 nan 0.000 0.491 62 P HA -0.207 nan 4.420 nan 0.000 0.214 62 P C 0.811 177.903 177.300 -0.347 0.000 1.163 62 P CA 1.561 64.357 63.100 -0.507 0.000 0.889 62 P CB 0.002 31.247 31.700 -0.759 0.000 0.790 63 F N -1.182 118.752 119.950 -0.026 0.000 2.515 63 F HA 0.507 5.034 4.527 -0.000 0.000 0.267 63 F C 2.324 178.112 175.800 -0.019 0.000 0.923 63 F CA 0.172 58.157 58.000 -0.025 0.000 1.107 63 F CB -1.938 37.045 39.000 -0.028 0.000 1.175 63 F HN -0.199 nan 8.300 nan 0.000 0.742 64 G N 1.813 110.897 108.800 0.474 0.000 3.241 64 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.197 64 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.197 64 G C 0.343 175.305 174.900 0.103 0.000 1.198 64 G CA 0.671 45.918 45.100 0.245 0.000 1.156 64 G HN 0.720 nan 8.290 nan 0.000 0.516 65 E N -2.301 117.937 120.200 0.063 0.000 2.038 65 E HA -0.224 4.126 4.350 -0.000 0.000 0.181 65 E C 0.900 177.501 176.600 0.001 0.000 1.383 65 E CA 0.230 56.637 56.400 0.012 0.000 0.677 65 E CB -1.759 27.950 29.700 0.015 0.000 1.051 65 E HN 0.446 nan 8.360 nan 0.000 0.317 66 G N 1.729 110.524 108.800 -0.007 0.000 3.329 66 G HA2 0.406 4.366 3.960 -0.000 0.000 0.180 66 G HA3 0.406 4.366 3.960 -0.000 0.000 0.180 66 G C -2.136 172.740 174.900 -0.039 0.000 1.640 66 G CA -0.201 44.895 45.100 -0.006 0.000 1.018 66 G HN 0.350 nan 8.290 nan 0.000 0.581 67 P HA 0.410 nan 4.420 nan 0.000 0.282 67 P C -0.854 176.373 177.300 -0.121 0.000 1.262 67 P CA -0.107 62.953 63.100 -0.066 0.000 0.773 67 P CB 2.124 33.792 31.700 -0.054 0.000 0.879 68 K N 1.926 122.193 120.400 -0.221 0.000 2.360 68 K HA 0.234 4.554 4.320 -0.000 0.000 0.196 68 K C -0.046 176.241 176.600 -0.523 0.000 1.049 68 K CA 0.491 56.518 56.287 -0.434 0.000 1.049 68 K CB 0.169 32.266 32.500 -0.672 0.000 0.881 68 K HN 0.506 nan 8.250 nan 0.000 0.542 69 Y N -1.636 118.653 120.300 -0.019 0.000 2.638 69 Y HA 0.572 5.122 4.550 -0.000 0.000 0.339 69 Y C 0.739 176.622 175.900 -0.029 0.000 1.084 69 Y CA -1.839 56.248 58.100 -0.020 0.000 1.068 69 Y CB 1.619 40.070 38.460 -0.015 0.000 1.294 69 Y HN -0.129 nan 8.280 nan 0.000 0.480 70 G N -0.135 108.765 108.800 0.166 0.000 2.477 70 G HA2 0.373 4.333 3.960 -0.000 0.000 0.304 70 G HA3 0.373 4.333 3.960 -0.000 0.000 0.304 70 G C 0.495 175.422 174.900 0.045 0.000 1.175 70 G CA -0.604 44.532 45.100 0.060 0.000 0.907 70 G HN 0.533 nan 8.290 nan 0.000 0.509 71 V N 0.265 120.186 119.914 0.012 0.000 2.828 71 V HA -0.235 3.885 4.120 -0.000 0.000 0.260 71 V C 2.695 178.783 176.094 -0.010 0.000 1.101 71 V CA 1.979 64.281 62.300 0.002 0.000 1.123 71 V CB -1.035 30.781 31.823 -0.011 0.000 0.704 71 V HN 0.927 nan 8.190 nan 0.000 0.493 72 C N -1.331 117.960 119.300 -0.016 0.000 2.634 72 C HA 0.643 5.103 4.460 -0.000 0.000 0.268 72 C C 1.981 176.940 174.990 -0.051 0.000 1.322 72 C CA 0.110 59.110 59.018 -0.030 0.000 1.737 72 C CB -0.188 27.534 27.740 -0.031 0.000 1.976 72 C HN 0.753 nan 8.230 nan 0.000 0.547 73 G N 0.453 109.219 108.800 -0.056 0.000 2.211 73 G HA2 0.169 4.129 3.960 -0.000 0.000 0.201 73 G HA3 0.169 4.129 3.960 -0.000 0.000 0.201 73 G C 0.261 175.079 174.900 -0.138 0.000 0.997 73 G CA 0.100 45.103 45.100 -0.161 0.000 0.652 73 G HN 1.411 nan 8.290 nan 0.000 0.500 74 A N 1.341 124.147 122.820 -0.022 0.000 2.511 74 A HA 0.500 4.820 4.320 -0.000 0.000 0.242 74 A C 0.601 178.267 177.584 0.137 0.000 1.069 74 A CA 0.792 52.845 52.037 0.027 0.000 0.763 74 A CB 0.137 19.151 19.000 0.024 0.000 1.001 74 A HN 0.696 nan 8.150 nan 0.000 0.498 75 D N 2.181 122.677 120.400 0.160 0.000 2.326 75 D HA 0.194 4.833 4.640 -0.000 0.000 0.251 75 D C 1.219 177.588 176.300 0.115 0.000 1.023 75 D CA -0.655 53.495 54.000 0.251 0.000 0.966 75 D CB 0.665 41.644 40.800 0.298 0.000 1.156 75 D HN 0.653 nan 8.370 nan 0.000 0.494 76 R N 0.695 121.239 120.500 0.074 0.000 2.133 76 R HA -0.228 4.112 4.340 -0.000 0.000 0.247 76 R C 0.494 176.816 176.300 0.035 0.000 1.151 76 R CA 1.535 57.654 56.100 0.032 0.000 0.971 76 R CB -0.677 29.622 30.300 -0.001 0.000 0.866 76 R HN 0.397 nan 8.270 nan 0.000 0.447 77 D N 0.647 121.075 120.400 0.046 0.000 2.084 77 D HA -0.092 4.548 4.640 -0.000 0.000 0.196 77 D C 1.864 178.190 176.300 0.045 0.000 0.985 77 D CA 1.969 55.994 54.000 0.042 0.000 0.826 77 D CB -0.507 40.321 40.800 0.046 0.000 0.978 77 D HN 0.285 nan 8.370 nan 0.000 0.456 78 T N 2.016 116.600 114.554 0.050 0.000 2.595 78 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 78 T C 2.294 177.021 174.700 0.045 0.000 1.058 78 T CA 0.818 62.945 62.100 0.045 0.000 1.166 78 T CB -0.471 68.421 68.868 0.041 0.000 0.863 78 T HN 0.126 nan 8.240 nan 0.000 0.415 79 I N 0.919 121.515 120.570 0.043 0.000 2.113 79 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 79 I C 2.497 178.641 176.117 0.046 0.000 1.064 79 I CA 1.332 62.654 61.300 0.037 0.000 1.320 79 I CB -0.637 37.377 38.000 0.024 0.000 1.028 79 I HN 0.110 nan 8.210 nan 0.000 0.406 80 V N 0.830 120.767 119.914 0.039 0.000 2.490 80 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 80 V C 2.612 178.747 176.094 0.068 0.000 1.061 80 V CA 1.839 64.166 62.300 0.046 0.000 1.064 80 V CB -0.969 30.869 31.823 0.026 0.000 0.670 80 V HN 0.507 nan 8.190 nan 0.000 0.461 81 A N 0.574 123.428 122.820 0.056 0.000 1.855 81 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 81 A C 2.351 179.970 177.584 0.059 0.000 1.191 81 A CA 1.686 53.755 52.037 0.053 0.000 0.613 81 A CB -0.453 18.575 19.000 0.047 0.000 0.829 81 A HN 0.497 nan 8.150 nan 0.000 0.442 82 R N -1.286 119.253 120.500 0.065 0.000 2.091 82 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 82 R C 2.235 178.575 176.300 0.068 0.000 1.136 82 R CA 1.785 57.921 56.100 0.061 0.000 0.959 82 R CB -0.697 29.639 30.300 0.060 0.000 0.856 82 R HN 0.797 nan 8.270 nan 0.000 0.437 83 H N 0.280 119.352 119.070 0.003 0.000 2.387 83 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 83 H C 1.822 177.144 175.328 -0.009 0.000 1.090 83 H CA 1.277 57.322 56.048 -0.004 0.000 1.332 83 H CB 0.016 29.773 29.762 -0.008 0.000 1.386 83 H HN 0.020 nan 8.280 nan 0.000 0.516 84 L N 0.022 121.247 121.223 0.003 0.000 2.017 84 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 84 L C 2.376 179.200 176.870 -0.076 0.000 1.073 84 L CA 1.237 56.043 54.840 -0.056 0.000 0.745 84 L CB -0.897 41.157 42.059 -0.009 0.000 0.894 84 L HN 0.296 nan 8.230 nan 0.000 0.432 85 V N 0.117 120.014 119.914 -0.029 0.000 2.233 85 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 85 V C 2.637 178.708 176.094 -0.039 0.000 1.050 85 V CA 1.851 64.146 62.300 -0.010 0.000 1.010 85 V CB -0.585 31.250 31.823 0.020 0.000 0.637 85 V HN 0.441 nan 8.190 nan 0.000 0.444 86 R N -0.898 119.564 120.500 -0.063 0.000 2.200 86 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 86 R C 2.257 178.483 176.300 -0.123 0.000 1.127 86 R CA 1.505 57.559 56.100 -0.076 0.000 0.989 86 R CB -0.328 29.930 30.300 -0.070 0.000 0.869 86 R HN 0.489 nan 8.270 nan 0.000 0.459 87 M N -0.240 119.245 119.600 -0.192 0.000 2.200 87 M HA -0.099 4.381 4.480 -0.000 0.000 0.265 87 M C 2.051 178.289 176.300 -0.102 0.000 1.066 87 M CA 1.483 56.670 55.300 -0.188 0.000 1.127 87 M CB -0.026 32.429 32.600 -0.243 0.000 1.379 87 M HN 0.134 nan 8.290 nan 0.000 0.420 88 I N -0.055 120.476 120.570 -0.065 0.000 2.202 88 I HA -0.220 3.949 4.170 -0.000 0.000 0.242 88 I C 2.688 178.805 176.117 -0.001 0.000 1.091 88 I CA 1.128 62.419 61.300 -0.014 0.000 1.368 88 I CB -0.616 37.398 38.000 0.022 0.000 1.058 88 I HN 0.219 nan 8.210 nan 0.000 0.410 89 A N 0.948 123.765 122.820 -0.006 0.000 1.908 89 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 89 A C 2.535 180.112 177.584 -0.011 0.000 1.181 89 A CA 2.058 54.097 52.037 0.003 0.000 0.627 89 A CB -0.829 18.174 19.000 0.005 0.000 0.818 89 A HN 0.453 nan 8.150 nan 0.000 0.445 90 A N -0.647 122.152 122.820 -0.036 0.000 1.930 90 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 90 A C 2.391 179.937 177.584 -0.063 0.000 1.175 90 A CA 1.841 53.849 52.037 -0.048 0.000 0.627 90 A CB -1.285 17.674 19.000 -0.068 0.000 0.815 90 A HN 0.728 nan 8.150 nan 0.000 0.443 91 G N -1.197 107.563 108.800 -0.067 0.000 2.408 91 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 91 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 91 G C 1.557 176.422 174.900 -0.059 0.000 1.150 91 G CA 1.593 46.632 45.100 -0.101 0.000 0.776 91 G HN 0.419 nan 8.290 nan 0.000 0.542 92 T N 1.725 116.293 114.554 0.023 0.000 2.708 92 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 92 T C 2.832 177.561 174.700 0.048 0.000 1.037 92 T CA 1.554 63.698 62.100 0.073 0.000 1.146 92 T CB -0.428 68.473 68.868 0.055 0.000 0.865 92 T HN 0.355 nan 8.240 nan 0.000 0.435 93 A N 1.279 124.109 122.820 0.017 0.000 1.978 93 A HA 0.097 4.417 4.320 -0.000 0.000 0.220 93 A C 2.563 180.154 177.584 0.011 0.000 1.170 93 A CA 1.897 53.948 52.037 0.023 0.000 0.636 93 A CB -0.955 18.052 19.000 0.011 0.000 0.810 93 A HN 0.521 nan 8.150 nan 0.000 0.448 94 A N -1.012 121.782 122.820 -0.045 0.000 1.872 94 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 94 A C 1.966 179.535 177.584 -0.025 0.000 1.187 94 A CA 1.615 53.593 52.037 -0.098 0.000 0.614 94 A CB -0.866 17.998 19.000 -0.228 0.000 0.826 94 A HN 0.720 nan 8.150 nan 0.000 0.442 95 H N -0.179 118.907 119.070 0.028 0.000 2.326 95 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 95 H C 2.816 178.186 175.328 0.070 0.000 1.081 95 H CA 1.601 57.693 56.048 0.074 0.000 1.334 95 H CB 0.093 29.903 29.762 0.080 0.000 1.385 95 H HN 0.679 nan 8.280 nan 0.000 0.504 96 S N 0.814 116.628 115.700 0.189 0.000 2.365 96 S HA -0.263 4.207 4.470 -0.000 0.000 0.225 96 S C 2.091 176.805 174.600 0.190 0.000 1.039 96 S CA 1.789 60.104 58.200 0.192 0.000 1.033 96 S CB -0.222 63.078 63.200 0.167 0.000 0.887 96 S HN 0.369 nan 8.310 nan 0.000 0.447 97 E N 0.810 121.056 120.200 0.078 0.000 2.267 97 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 97 E C 1.798 178.222 176.600 -0.293 0.000 0.998 97 E CA 1.598 57.922 56.400 -0.126 0.000 0.830 97 E CB -0.614 29.021 29.700 -0.108 0.000 0.751 97 E HN 0.913 nan 8.360 nan 0.000 0.491 98 H N -1.770 117.219 119.070 -0.136 0.000 2.333 98 H HA -0.011 4.545 4.556 -0.000 0.000 0.302 98 H C 1.924 177.243 175.328 -0.014 0.000 1.075 98 H CA 1.007 57.029 56.048 -0.042 0.000 1.348 98 H CB -0.041 29.775 29.762 0.091 0.000 1.393 98 H HN 0.269 nan 8.280 nan 0.000 0.509 99 G N 0.850 109.645 108.800 -0.008 0.000 2.414 99 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 99 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 99 G C 1.782 176.650 174.900 -0.053 0.000 1.188 99 G CA 0.438 45.495 45.100 -0.072 0.000 0.783 99 G HN 0.315 nan 8.290 nan 0.000 0.537 100 R N 0.040 120.454 120.500 -0.144 0.000 2.140 100 R HA -0.211 4.129 4.340 -0.000 0.000 0.250 100 R C 2.219 178.409 176.300 -0.183 0.000 1.150 100 R CA 2.166 57.970 56.100 -0.492 0.000 0.966 100 R CB -0.711 29.214 30.300 -0.625 0.000 0.869 100 R HN 0.655 nan 8.270 nan 0.000 0.445 101 H N -0.477 118.540 119.070 -0.089 0.000 2.319 101 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 101 H C 2.248 177.546 175.328 -0.049 0.000 1.092 101 H CA 1.641 57.663 56.048 -0.043 0.000 1.302 101 H CB -0.057 29.744 29.762 0.066 0.000 1.373 101 H HN 0.251 nan 8.280 nan 0.000 0.497 102 I N 0.475 121.125 120.570 0.134 0.000 2.353 102 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 102 I C 2.774 178.885 176.117 -0.010 0.000 1.119 102 I CA 0.624 61.970 61.300 0.077 0.000 1.417 102 I CB -0.251 37.807 38.000 0.095 0.000 1.078 102 I HN 0.279 nan 8.210 nan 0.000 0.421 103 A N 1.133 123.929 122.820 -0.041 0.000 1.933 103 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 103 A C 2.279 179.803 177.584 -0.099 0.000 1.175 103 A CA 1.309 53.319 52.037 -0.046 0.000 0.628 103 A CB -0.738 18.225 19.000 -0.063 0.000 0.814 103 A HN 0.394 nan 8.150 nan 0.000 0.444 104 L N -1.012 120.113 121.223 -0.164 0.000 2.291 104 L HA -0.116 4.224 4.340 -0.000 0.000 0.214 104 L C 2.953 179.585 176.870 -0.397 0.000 1.120 104 L CA 0.697 55.370 54.840 -0.280 0.000 0.799 104 L CB -0.421 41.460 42.059 -0.297 0.000 0.925 104 L HN 0.453 nan 8.230 nan 0.000 0.446 105 A N -0.216 122.450 122.820 -0.256 0.000 1.897 105 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 105 A C 2.325 179.822 177.584 -0.145 0.000 1.181 105 A CA 1.097 52.985 52.037 -0.249 0.000 0.620 105 A CB -0.224 18.671 19.000 -0.175 0.000 0.821 105 A HN 0.198 nan 8.150 nan 0.000 0.443 106 M N -0.496 119.054 119.600 -0.084 0.000 2.067 106 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 106 M C 2.371 178.666 176.300 -0.008 0.000 1.069 106 M CA 2.080 57.364 55.300 -0.026 0.000 1.117 106 M CB -1.530 31.077 32.600 0.012 0.000 1.334 106 M HN 0.713 nan 8.290 nan 0.000 0.407 107 Q N -0.066 119.718 119.800 -0.026 0.000 2.062 107 Q HA -0.242 4.098 4.340 -0.000 0.000 0.209 107 Q C 1.929 177.993 176.000 0.107 0.000 0.996 107 Q CA 2.078 57.892 55.803 0.019 0.000 0.859 107 Q CB -0.282 28.448 28.738 -0.013 0.000 0.920 107 Q HN 0.659 nan 8.270 nan 0.000 0.415 108 H N -0.468 118.579 119.070 -0.037 0.000 2.387 108 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 108 H C 2.207 177.517 175.328 -0.030 0.000 1.090 108 H CA 1.002 57.029 56.048 -0.034 0.000 1.332 108 H CB 0.089 29.793 29.762 -0.097 0.000 1.386 108 H HN 0.316 nan 8.280 nan 0.000 0.516 109 I N 0.653 121.272 120.570 0.081 0.000 2.179 109 I HA -0.233 3.936 4.170 -0.000 0.000 0.242 109 I C 2.340 178.487 176.117 0.050 0.000 1.088 109 I CA 1.345 62.672 61.300 0.043 0.000 1.357 109 I CB -0.246 37.761 38.000 0.011 0.000 1.051 109 I HN 0.256 nan 8.210 nan 0.000 0.409 110 S N -0.060 115.669 115.700 0.049 0.000 2.723 110 S HA -0.073 4.396 4.470 -0.000 0.000 0.231 110 S C 1.223 175.850 174.600 0.046 0.000 0.967 110 S CA 0.484 58.711 58.200 0.045 0.000 0.958 110 S CB -0.259 62.966 63.200 0.041 0.000 0.778 110 S HN 0.546 nan 8.310 nan 0.000 0.537 111 Q N -0.598 119.234 119.800 0.053 0.000 2.127 111 Q HA 0.341 4.681 4.340 -0.000 0.000 0.222 111 Q C 1.221 177.241 176.000 0.034 0.000 0.794 111 Q CA 0.161 55.989 55.803 0.042 0.000 1.010 111 Q CB 0.968 29.735 28.738 0.049 0.000 1.170 111 Q HN 0.646 nan 8.270 nan 0.000 0.479 112 G N 1.833 110.661 108.800 0.046 0.000 2.234 112 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 112 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 112 G C 0.181 175.120 174.900 0.065 0.000 0.987 112 G CA 0.766 45.898 45.100 0.054 0.000 0.625 112 G HN 0.486 nan 8.290 nan 0.000 0.532 113 E N 0.424 120.651 120.200 0.046 0.000 2.376 113 E HA 0.647 4.996 4.350 -0.000 0.000 0.254 113 E C 0.778 177.420 176.600 0.069 0.000 1.213 113 E CA -0.398 56.034 56.400 0.054 0.000 0.945 113 E CB 0.657 30.349 29.700 -0.014 0.000 1.057 113 E HN 0.804 nan 8.360 nan 0.000 0.479 114 L N 1.089 122.364 121.223 0.088 0.000 3.453 114 L HA -0.161 4.179 4.340 -0.000 0.000 0.650 114 L C 0.255 177.201 176.870 0.127 0.000 1.276 114 L CA 0.041 54.868 54.840 -0.021 0.000 1.063 114 L CB -1.554 40.374 42.059 -0.218 0.000 1.664 114 L HN 0.796 nan 8.230 nan 0.000 0.878 115 H N -0.291 118.828 119.070 0.082 0.000 2.562 115 H HA 0.020 4.576 4.556 -0.000 0.000 0.274 115 H C 1.349 176.746 175.328 0.115 0.000 1.038 115 H CA 1.285 57.384 56.048 0.084 0.000 1.161 115 H CB 0.208 30.006 29.762 0.060 0.000 1.318 115 H HN 0.472 nan 8.280 nan 0.000 0.617 116 D N -0.991 119.500 120.400 0.151 0.000 2.379 116 D HA -0.041 4.599 4.640 -0.000 0.000 0.218 116 D C -0.344 176.004 176.300 0.080 0.000 1.006 116 D CA 0.387 54.453 54.000 0.110 0.000 0.893 116 D CB 0.517 41.449 40.800 0.220 0.000 1.019 116 D HN 0.257 nan 8.370 nan 0.000 0.503 117 Y N 0.839 121.100 120.300 -0.065 0.000 2.534 117 Y HA 0.432 4.982 4.550 -0.000 0.000 0.329 117 Y C 1.040 176.882 175.900 -0.096 0.000 1.154 117 Y CA -1.333 56.724 58.100 -0.071 0.000 1.192 117 Y CB 1.446 39.867 38.460 -0.066 0.000 1.275 117 Y HN -0.192 nan 8.280 nan 0.000 0.491 118 S N -0.467 115.258 115.700 0.042 0.000 3.211 118 S HA 0.717 5.187 4.470 -0.000 0.000 0.320 118 S C -1.214 173.345 174.600 -0.068 0.000 1.225 118 S CA -0.599 57.592 58.200 -0.014 0.000 1.044 118 S CB 0.912 64.095 63.200 -0.028 0.000 1.410 118 S HN 0.264 nan 8.310 nan 0.000 0.640 119 I N 0.675 121.208 120.570 -0.061 0.000 3.449 119 I HA 0.802 4.972 4.170 -0.000 0.000 0.294 119 I C -0.302 175.767 176.117 -0.080 0.000 1.163 119 I CA -0.778 60.475 61.300 -0.080 0.000 1.010 119 I CB 1.244 39.213 38.000 -0.051 0.000 1.307 119 I HN 0.779 nan 8.210 nan 0.000 0.518 120 R N 1.427 121.878 120.500 -0.082 0.000 4.167 120 R HA 0.223 4.563 4.340 -0.000 0.000 0.253 120 R C -1.867 174.387 176.300 -0.078 0.000 1.057 120 R CA -0.570 55.490 56.100 -0.067 0.000 1.305 120 R CB 0.714 30.987 30.300 -0.044 0.000 1.245 120 R HN 0.709 nan 8.270 nan 0.000 0.550 121 D N 2.695 123.040 120.400 -0.091 0.000 3.830 121 D HA -0.115 4.525 4.640 -0.000 0.000 0.247 121 D C -0.139 176.057 176.300 -0.174 0.000 1.073 121 D CA 0.685 54.618 54.000 -0.110 0.000 1.116 121 D CB 0.279 41.031 40.800 -0.079 0.000 0.909 121 D HN 0.663 nan 8.370 nan 0.000 0.418 122 E N 1.109 121.150 120.200 -0.264 0.000 2.170 122 E HA 0.138 4.488 4.350 -0.000 0.000 0.191 122 E C 2.242 178.411 176.600 -0.718 0.000 0.981 122 E CA 1.085 57.166 56.400 -0.533 0.000 0.830 122 E CB -0.154 29.184 29.700 -0.604 0.000 0.775 122 E HN 0.538 nan 8.360 nan 0.000 0.470 123 A N 0.978 123.557 122.820 -0.402 0.000 2.148 123 A HA -0.241 4.079 4.320 -0.000 0.000 0.222 123 A C 1.989 179.489 177.584 -0.141 0.000 1.161 123 A CA 1.497 53.400 52.037 -0.223 0.000 0.662 123 A CB -0.245 18.695 19.000 -0.099 0.000 0.799 123 A HN -0.043 nan 8.150 nan 0.000 0.466 124 K N -0.901 119.399 120.400 -0.166 0.000 2.313 124 K HA 0.219 4.539 4.320 -0.000 0.000 0.197 124 K C 1.695 178.266 176.600 -0.049 0.000 1.061 124 K CA 0.415 56.661 56.287 -0.067 0.000 0.980 124 K CB -0.275 32.196 32.500 -0.049 0.000 0.888 124 K HN 0.503 nan 8.250 nan 0.000 0.502 125 L N 0.853 121.981 121.223 -0.159 0.000 2.353 125 L HA -0.093 4.247 4.340 -0.000 0.000 0.220 125 L C 0.637 177.617 176.870 0.183 0.000 1.133 125 L CA 1.204 56.014 54.840 -0.050 0.000 0.798 125 L CB -0.040 41.931 42.059 -0.148 0.000 0.922 125 L HN 0.196 nan 8.230 nan 0.000 0.445 126 Y N -1.316 118.987 120.300 0.005 0.000 2.746 126 Y HA 0.350 4.900 4.550 -0.000 0.000 0.312 126 Y C 1.099 176.993 175.900 -0.010 0.000 1.117 126 Y CA -0.385 57.710 58.100 -0.008 0.000 1.324 126 Y CB 0.197 38.651 38.460 -0.010 0.000 1.173 126 Y HN 0.229 nan 8.280 nan 0.000 0.529 127 A N 0.725 123.627 122.820 0.137 0.000 2.616 127 A HA 0.391 4.711 4.320 -0.000 0.000 0.294 127 A C 0.761 178.386 177.584 0.068 0.000 1.091 127 A CA -0.130 51.955 52.037 0.080 0.000 0.971 127 A CB -0.428 18.611 19.000 0.065 0.000 1.222 127 A HN 0.626 nan 8.150 nan 0.000 0.521 128 I N -6.084 114.512 120.570 0.044 0.000 5.409 128 I HA 0.344 4.514 4.170 -0.000 0.000 0.367 128 I C 1.016 177.072 176.117 -0.102 0.000 1.127 128 I CA 0.363 61.628 61.300 -0.058 0.000 1.619 128 I CB 0.167 38.232 38.000 0.108 0.000 2.019 128 I HN 0.026 nan 8.210 nan 0.000 0.684 129 A N 2.402 125.234 122.820 0.020 0.000 3.197 129 A HA 0.532 4.852 4.320 -0.000 0.000 0.263 129 A C 0.797 178.362 177.584 -0.031 0.000 1.524 129 A CA 0.687 52.727 52.037 0.004 0.000 1.176 129 A CB -0.719 18.351 19.000 0.117 0.000 1.096 129 A HN 0.705 nan 8.150 nan 0.000 0.655 130 K N -3.415 116.945 120.400 -0.067 0.000 1.796 130 K HA -0.033 4.287 4.320 -0.000 0.000 0.105 130 K C 0.157 176.701 176.600 -0.093 0.000 2.302 130 K CA 0.776 57.025 56.287 -0.064 0.000 1.130 130 K CB -0.672 31.817 32.500 -0.018 0.000 2.552 130 K HN -0.038 nan 8.250 nan 0.000 0.410 131 T N 2.181 116.662 114.554 -0.121 0.000 4.029 131 T HA 0.548 4.898 4.350 -0.000 0.000 0.226 131 T C -0.621 173.921 174.700 -0.263 0.000 0.838 131 T CA 0.294 62.295 62.100 -0.163 0.000 0.907 131 T CB -0.823 67.947 68.868 -0.162 0.000 1.296 131 T HN 0.231 nan 8.240 nan 0.000 0.711 132 L N -1.505 119.600 121.223 -0.198 0.000 3.114 132 L HA 0.346 4.686 4.340 -0.000 0.000 0.253 132 L C 0.580 177.368 176.870 -0.137 0.000 0.976 132 L CA -1.066 53.652 54.840 -0.203 0.000 1.050 132 L CB 0.613 42.502 42.059 -0.283 0.000 1.514 132 L HN 0.187 nan 8.230 nan 0.000 0.403 133 G N 0.979 109.710 108.800 -0.116 0.000 3.356 133 G HA2 0.286 4.246 3.960 -0.000 0.000 0.239 133 G HA3 0.286 4.246 3.960 -0.000 0.000 0.239 133 G C 0.043 174.892 174.900 -0.086 0.000 1.252 133 G CA -0.127 44.920 45.100 -0.087 0.000 1.611 133 G HN 0.216 nan 8.290 nan 0.000 0.580 134 V N 1.244 121.098 119.914 -0.100 0.000 2.434 134 V HA 0.247 4.367 4.120 -0.000 0.000 0.281 134 V C 1.098 177.137 176.094 -0.092 0.000 1.005 134 V CA -0.328 61.914 62.300 -0.097 0.000 1.089 134 V CB -0.086 31.674 31.823 -0.105 0.000 0.978 134 V HN 0.521 nan 8.190 nan 0.000 0.474 135 A N 4.612 127.383 122.820 -0.081 0.000 2.545 135 A HA 0.416 4.736 4.320 -0.000 0.000 0.297 135 A C 1.310 178.831 177.584 -0.105 0.000 1.340 135 A CA 0.289 52.279 52.037 -0.079 0.000 1.016 135 A CB -0.172 18.792 19.000 -0.060 0.000 1.122 135 A HN 1.021 nan 8.150 nan 0.000 0.537 136 T N 0.274 114.747 114.554 -0.135 0.000 3.000 136 T HA 0.079 4.429 4.350 -0.000 0.000 0.233 136 T C 0.719 175.312 174.700 -0.179 0.000 1.036 136 T CA 0.478 62.454 62.100 -0.207 0.000 1.333 136 T CB -0.776 67.925 68.868 -0.279 0.000 1.048 136 T HN 0.513 nan 8.240 nan 0.000 0.425 137 E N 2.376 122.487 120.200 -0.149 0.000 3.556 137 E HA 0.134 4.484 4.350 -0.000 0.000 0.291 137 E C 0.964 177.515 176.600 -0.082 0.000 0.761 137 E CA 0.858 57.195 56.400 -0.106 0.000 1.045 137 E CB -1.128 28.528 29.700 -0.073 0.000 0.825 137 E HN 0.940 nan 8.360 nan 0.000 0.541 138 G N 4.600 113.357 108.800 -0.072 0.000 2.266 138 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.269 138 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.269 138 G C 0.662 175.538 174.900 -0.040 0.000 0.863 138 G CA 0.952 46.026 45.100 -0.044 0.000 1.268 138 G HN 0.639 nan 8.290 nan 0.000 0.426 139 R N 0.699 121.170 120.500 -0.047 0.000 2.487 139 R HA 0.447 4.787 4.340 -0.000 0.000 0.272 139 R C 1.021 177.311 176.300 -0.018 0.000 0.928 139 R CA 0.811 56.891 56.100 -0.035 0.000 1.077 139 R CB 0.452 30.723 30.300 -0.048 0.000 1.265 139 R HN 1.822 nan 8.270 nan 0.000 0.537 140 G N 1.566 110.361 108.800 -0.009 0.000 3.338 140 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 140 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 140 G C -0.077 174.839 174.900 0.026 0.000 1.053 140 G CA -0.500 44.607 45.100 0.013 0.000 0.852 140 G HN 0.046 nan 8.290 nan 0.000 0.545 141 L N 2.249 123.505 121.223 0.056 0.000 1.970 141 L HA 0.033 4.373 4.340 -0.000 0.000 0.212 141 L C 2.744 179.651 176.870 0.061 0.000 1.071 141 L CA 2.194 57.085 54.840 0.085 0.000 0.751 141 L CB -0.474 41.649 42.059 0.106 0.000 0.889 141 L HN 0.706 nan 8.230 nan 0.000 0.432 142 L N -0.552 120.700 121.223 0.047 0.000 3.062 142 L HA -0.030 4.310 4.340 -0.000 0.000 0.264 142 L C 1.217 178.107 176.870 0.033 0.000 1.242 142 L CA 0.405 55.269 54.840 0.040 0.000 1.072 142 L CB -0.366 41.715 42.059 0.038 0.000 1.420 142 L HN 0.296 nan 8.230 nan 0.000 0.412 143 A N -0.835 122.002 122.820 0.030 0.000 2.027 143 A HA 0.190 4.510 4.320 -0.000 0.000 0.196 143 A C 1.671 179.265 177.584 0.016 0.000 1.573 143 A CA 0.090 52.138 52.037 0.019 0.000 1.097 143 A CB 0.127 19.132 19.000 0.009 0.000 1.196 143 A HN 0.394 nan 8.150 nan 0.000 0.462 144 I N -0.298 120.286 120.570 0.022 0.000 3.035 144 I HA 0.072 4.242 4.170 -0.000 0.000 0.271 144 I C 1.508 177.651 176.117 0.043 0.000 1.190 144 I CA 1.132 62.445 61.300 0.021 0.000 1.472 144 I CB -0.612 37.395 38.000 0.013 0.000 1.116 144 I HN 0.066 nan 8.210 nan 0.000 0.443 145 V N -0.184 119.762 119.914 0.054 0.000 3.515 145 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 145 V C 1.212 177.333 176.094 0.044 0.000 1.206 145 V CA 0.861 63.194 62.300 0.054 0.000 1.253 145 V CB -1.196 30.655 31.823 0.047 0.000 1.035 145 V HN 0.479 nan 8.190 nan 0.000 0.428 146 G N -0.553 108.271 108.800 0.039 0.000 2.408 146 G HA2 0.095 4.055 3.960 -0.000 0.000 0.190 146 G HA3 0.095 4.055 3.960 -0.000 0.000 0.190 146 G C 0.638 175.557 174.900 0.031 0.000 1.377 146 G CA 0.546 45.667 45.100 0.036 0.000 0.690 146 G HN 0.478 nan 8.290 nan 0.000 1.014 147 D N 1.197 121.610 120.400 0.021 0.000 2.103 147 D HA 0.034 4.674 4.640 -0.000 0.000 0.199 147 D C 2.575 178.883 176.300 0.013 0.000 0.978 147 D CA 0.398 54.404 54.000 0.009 0.000 0.829 147 D CB -0.099 40.695 40.800 -0.009 0.000 0.981 147 D HN 0.207 nan 8.370 nan 0.000 0.464 148 L N 0.637 121.873 121.223 0.021 0.000 2.079 148 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 148 L C 2.360 179.287 176.870 0.096 0.000 1.081 148 L CA 1.162 56.025 54.840 0.039 0.000 0.752 148 L CB -0.431 41.672 42.059 0.072 0.000 0.896 148 L HN 0.024 nan 8.230 nan 0.000 0.433 149 A N -0.294 122.574 122.820 0.081 0.000 1.969 149 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 149 A C 2.464 180.095 177.584 0.077 0.000 1.169 149 A CA 1.594 53.678 52.037 0.079 0.000 0.635 149 A CB -0.470 18.556 19.000 0.044 0.000 0.810 149 A HN 0.420 nan 8.150 nan 0.000 0.445 150 A N -0.300 122.556 122.820 0.060 0.000 1.930 150 A HA 0.105 4.425 4.320 -0.000 0.000 0.215 150 A C 2.076 179.702 177.584 0.070 0.000 1.176 150 A CA 1.137 53.207 52.037 0.055 0.000 0.632 150 A CB -0.422 18.599 19.000 0.034 0.000 0.819 150 A HN 0.460 nan 8.150 nan 0.000 0.445 151 I N -0.836 119.770 120.570 0.059 0.000 2.163 151 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 151 I C 2.646 178.852 176.117 0.149 0.000 1.081 151 I CA 1.687 63.014 61.300 0.046 0.000 1.353 151 I CB -0.707 37.264 38.000 -0.049 0.000 1.054 151 I HN 0.219 nan 8.210 nan 0.000 0.407 152 T N 1.320 116.030 114.554 0.259 0.000 2.652 152 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 152 T C 1.837 176.776 174.700 0.399 0.000 1.039 152 T CA 1.472 63.862 62.100 0.484 0.000 1.153 152 T CB -0.305 68.874 68.868 0.518 0.000 0.863 152 T HN 0.067 nan 8.240 nan 0.000 0.428 153 L N 1.068 122.444 121.223 0.256 0.000 2.261 153 L HA 0.036 4.376 4.340 -0.000 0.000 0.216 153 L C 2.646 179.682 176.870 0.275 0.000 1.114 153 L CA 1.404 56.374 54.840 0.217 0.000 0.777 153 L CB -1.195 40.904 42.059 0.066 0.000 0.910 153 L HN 0.357 nan 8.230 nan 0.000 0.440 154 G N -1.231 107.690 108.800 0.202 0.000 2.418 154 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 154 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 154 G C 1.234 176.217 174.900 0.138 0.000 1.158 154 G CA 0.665 45.850 45.100 0.142 0.000 0.771 154 G HN 0.314 nan 8.290 nan 0.000 0.545 155 D N -0.269 120.227 120.400 0.160 0.000 2.389 155 D HA -0.015 4.625 4.640 -0.000 0.000 0.221 155 D C 1.241 177.425 176.300 -0.194 0.000 0.974 155 D CA 0.488 54.483 54.000 -0.009 0.000 0.923 155 D CB -0.124 40.671 40.800 -0.007 0.000 0.892 155 D HN 0.417 nan 8.370 nan 0.000 0.518 156 F N -0.507 119.439 119.950 -0.007 0.000 2.706 156 F HA 0.176 4.703 4.527 -0.000 0.000 0.308 156 F C 1.833 177.620 175.800 -0.021 0.000 1.095 156 F CA -0.050 57.936 58.000 -0.024 0.000 1.244 156 F CB 0.416 39.411 39.000 -0.009 0.000 1.063 156 F HN -0.058 nan 8.300 nan 0.000 0.582 157 Q N -1.013 118.876 119.800 0.148 0.000 2.211 157 Q HA 0.158 4.498 4.340 -0.000 0.000 0.242 157 Q C 0.208 176.248 176.000 0.067 0.000 0.825 157 Q CA -0.242 55.620 55.803 0.098 0.000 0.951 157 Q CB -0.151 28.647 28.738 0.101 0.000 1.130 157 Q HN 0.082 nan 8.270 nan 0.000 0.496 158 N N 1.994 120.724 118.700 0.050 0.000 2.412 158 N HA -0.093 4.647 4.740 -0.000 0.000 0.258 158 N C 0.247 175.837 175.510 0.133 0.000 1.236 158 N CA 0.625 53.720 53.050 0.075 0.000 0.882 158 N CB 0.727 39.253 38.487 0.065 0.000 1.066 158 N HN 0.075 nan 8.380 nan 0.000 0.465 159 Q N 1.013 120.909 119.800 0.159 0.000 2.219 159 Q HA 0.081 4.421 4.340 -0.000 0.000 0.209 159 Q C -0.736 175.389 176.000 0.208 0.000 0.854 159 Q CA -0.000 55.924 55.803 0.201 0.000 0.960 159 Q CB 0.034 28.846 28.738 0.123 0.000 1.116 159 Q HN 0.632 nan 8.270 nan 0.000 0.500 160 D N -0.122 120.400 120.400 0.203 0.000 2.428 160 D HA -0.009 4.630 4.640 -0.000 0.000 0.221 160 D C 0.536 176.851 176.300 0.026 0.000 1.123 160 D CA -0.583 53.483 54.000 0.109 0.000 0.869 160 D CB 0.196 41.041 40.800 0.075 0.000 1.032 160 D HN 0.000 nan 8.370 nan 0.000 0.506 161 Y N 2.835 122.944 120.300 -0.319 0.000 2.365 161 Y HA -0.191 4.359 4.550 -0.000 0.000 0.287 161 Y C 0.968 176.681 175.900 -0.312 0.000 1.162 161 Y CA 1.646 59.328 58.100 -0.698 0.000 1.260 161 Y CB 0.377 38.567 38.460 -0.451 0.000 0.976 161 Y HN 0.424 nan 8.280 nan 0.000 0.548 162 D N -0.596 119.766 120.400 -0.064 0.000 2.369 162 D HA 0.024 4.664 4.640 -0.000 0.000 0.211 162 D C 0.185 176.463 176.300 -0.036 0.000 1.077 162 D CA 0.262 54.233 54.000 -0.048 0.000 0.842 162 D CB 0.074 40.884 40.800 0.016 0.000 0.947 162 D HN 0.206 nan 8.370 nan 0.000 0.509 163 K N 2.316 122.710 120.400 -0.009 0.000 2.257 163 K HA 0.270 4.590 4.320 -0.000 0.000 0.270 163 K C -2.701 173.907 176.600 0.014 0.000 1.098 163 K CA -1.894 54.399 56.287 0.010 0.000 0.943 163 K CB 1.177 33.695 32.500 0.031 0.000 1.316 163 K HN -0.237 nan 8.250 nan 0.000 0.447 164 P HA -0.109 nan 4.420 nan 0.000 0.269 164 P C -0.414 176.878 177.300 -0.014 0.000 1.205 164 P CA -0.243 62.844 63.100 -0.022 0.000 0.780 164 P CB 0.446 32.127 31.700 -0.031 0.000 0.858 165 C N 1.989 121.274 119.300 -0.025 0.000 2.662 165 C HA 0.226 4.686 4.460 -0.000 0.000 0.420 165 C C 2.167 177.160 174.990 0.006 0.000 1.314 165 C CA 0.650 59.659 59.018 -0.015 0.000 1.963 165 C CB -0.323 27.394 27.740 -0.039 0.000 2.686 165 C HN 0.696 nan 8.230 nan 0.000 0.609 166 A N 2.582 125.409 122.820 0.012 0.000 1.849 166 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 166 A C 1.800 179.345 177.584 -0.065 0.000 1.202 166 A CA 1.813 53.812 52.037 -0.063 0.000 0.629 166 A CB -0.902 18.014 19.000 -0.139 0.000 0.834 166 A HN 0.997 nan 8.150 nan 0.000 0.447 167 W N -0.101 121.160 121.300 -0.066 0.000 2.305 167 W HA -0.196 4.464 4.660 -0.000 0.000 0.308 167 W C 2.217 178.680 176.519 -0.094 0.000 1.226 167 W CA 1.459 58.759 57.345 -0.076 0.000 1.253 167 W CB -0.664 28.744 29.460 -0.088 0.000 1.146 167 W HN 0.271 nan 8.180 nan 0.000 0.507 168 L N -0.434 120.861 121.223 0.121 0.000 1.994 168 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 168 L C 2.667 179.533 176.870 -0.008 0.000 1.071 168 L CA 1.475 56.324 54.840 0.014 0.000 0.745 168 L CB -1.293 40.746 42.059 -0.032 0.000 0.892 168 L HN 0.019 nan 8.230 nan 0.000 0.431 169 A N -0.402 122.407 122.820 -0.017 0.000 2.024 169 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 169 A C 2.325 179.886 177.584 -0.039 0.000 1.164 169 A CA 1.820 53.838 52.037 -0.031 0.000 0.643 169 A CB -0.550 18.427 19.000 -0.037 0.000 0.806 169 A HN 0.469 nan 8.150 nan 0.000 0.451 170 A N -1.521 121.269 122.820 -0.050 0.000 2.044 170 A HA 0.224 4.544 4.320 -0.000 0.000 0.213 170 A C 2.042 179.606 177.584 -0.034 0.000 1.169 170 A CA 1.342 53.337 52.037 -0.069 0.000 0.724 170 A CB -0.102 18.811 19.000 -0.146 0.000 0.840 170 A HN 0.384 nan 8.150 nan 0.000 0.463 171 S N -0.594 115.107 115.700 0.001 0.000 2.540 171 S HA 0.392 4.862 4.470 -0.000 0.000 0.218 171 S C 0.335 174.932 174.600 -0.006 0.000 0.977 171 S CA -0.260 57.950 58.200 0.018 0.000 0.918 171 S CB -0.040 63.204 63.200 0.074 0.000 0.806 171 S HN 0.382 nan 8.310 nan 0.000 0.496 172 L N 2.096 123.308 121.223 -0.018 0.000 2.352 172 L HA 0.412 4.752 4.340 -0.000 0.000 0.269 172 L C 0.755 177.616 176.870 -0.015 0.000 1.034 172 L CA -0.929 53.897 54.840 -0.023 0.000 0.806 172 L CB 0.878 42.919 42.059 -0.031 0.000 1.244 172 L HN 0.097 nan 8.230 nan 0.000 0.447 173 T N -1.635 112.912 114.554 -0.011 0.000 2.933 173 T HA 0.029 4.379 4.350 -0.000 0.000 0.306 173 T C -1.457 173.237 174.700 -0.010 0.000 1.045 173 T CA -1.021 61.074 62.100 -0.008 0.000 1.143 173 T CB 0.507 69.373 68.868 -0.004 0.000 1.003 173 T HN 0.510 nan 8.240 nan 0.000 0.540 174 P HA -0.149 nan 4.420 nan 0.000 0.219 174 P C 1.454 178.749 177.300 -0.009 0.000 1.146 174 P CA 0.897 63.990 63.100 -0.012 0.000 0.808 174 P CB 0.133 31.826 31.700 -0.012 0.000 0.779 175 R N -0.272 120.224 120.500 -0.006 0.000 2.073 175 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 175 R C 2.658 178.956 176.300 -0.002 0.000 1.134 175 R CA 1.077 57.175 56.100 -0.003 0.000 0.952 175 R CB -0.303 29.996 30.300 -0.001 0.000 0.850 175 R HN -0.113 nan 8.270 nan 0.000 0.433 176 R N 0.311 120.809 120.500 -0.003 0.000 2.073 176 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 176 R C 2.174 178.471 176.300 -0.005 0.000 1.134 176 R CA 1.390 57.489 56.100 -0.002 0.000 0.952 176 R CB -0.847 29.451 30.300 -0.003 0.000 0.850 176 R HN 0.184 nan 8.270 nan 0.000 0.433 177 V N 1.925 121.833 119.914 -0.010 0.000 2.380 177 V HA -0.247 3.873 4.120 -0.000 0.000 0.251 177 V C 2.635 178.723 176.094 -0.010 0.000 1.063 177 V CA 1.713 64.005 62.300 -0.014 0.000 1.055 177 V CB -0.481 31.331 31.823 -0.018 0.000 0.657 177 V HN 0.259 nan 8.190 nan 0.000 0.455 178 K N 0.127 120.523 120.400 -0.007 0.000 2.103 178 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 178 K C 2.339 178.938 176.600 -0.000 0.000 1.052 178 K CA 1.365 57.649 56.287 -0.004 0.000 0.945 178 K CB -0.152 32.346 32.500 -0.004 0.000 0.722 178 K HN 0.393 nan 8.250 nan 0.000 0.443 179 R N 0.493 120.994 120.500 0.002 0.000 2.061 179 R HA -0.022 4.318 4.340 -0.000 0.000 0.230 179 R C 2.541 178.846 176.300 0.008 0.000 1.140 179 R CA 1.197 57.301 56.100 0.007 0.000 0.940 179 R CB -0.313 29.992 30.300 0.009 0.000 0.839 179 R HN 0.105 nan 8.270 nan 0.000 0.429 180 L N -0.211 121.016 121.223 0.006 0.000 2.012 180 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 180 L C 2.601 179.473 176.870 0.002 0.000 1.073 180 L CA 1.580 56.424 54.840 0.007 0.000 0.748 180 L CB -1.082 40.979 42.059 0.003 0.000 0.891 180 L HN 0.517 nan 8.230 nan 0.000 0.431 181 G N -0.012 108.786 108.800 -0.005 0.000 2.469 181 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 181 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 181 G C 1.157 176.058 174.900 0.002 0.000 1.150 181 G CA 1.087 46.182 45.100 -0.008 0.000 0.763 181 G HN 0.357 nan 8.290 nan 0.000 0.561 182 D N 0.141 120.545 120.400 0.006 0.000 2.219 182 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 182 D C 2.105 178.416 176.300 0.019 0.000 0.970 182 D CA 0.535 54.542 54.000 0.012 0.000 0.851 182 D CB 0.026 40.833 40.800 0.011 0.000 0.943 182 D HN 0.217 nan 8.370 nan 0.000 0.488 183 L N -0.419 120.816 121.223 0.020 0.000 2.591 183 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 183 L C 1.652 178.544 176.870 0.036 0.000 1.133 183 L CA 0.382 55.239 54.840 0.028 0.000 0.880 183 L CB -0.449 41.627 42.059 0.029 0.000 1.033 183 L HN 0.066 nan 8.230 nan 0.000 0.450 184 G N -0.186 108.631 108.800 0.028 0.000 2.179 184 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 184 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 184 G C 0.812 175.723 174.900 0.019 0.000 1.010 184 G CA 0.545 45.664 45.100 0.032 0.000 0.736 184 G HN 0.384 nan 8.290 nan 0.000 0.513 185 L N -0.998 120.233 121.223 0.013 0.000 2.653 185 L HA 0.381 4.721 4.340 -0.000 0.000 0.231 185 L C 0.720 177.585 176.870 -0.007 0.000 1.153 185 L CA -0.301 54.549 54.840 0.017 0.000 0.933 185 L CB 0.193 42.271 42.059 0.032 0.000 1.175 185 L HN 0.159 nan 8.230 nan 0.000 0.473 186 L N 2.650 123.850 121.223 -0.037 0.000 2.257 186 L HA 0.416 4.756 4.340 -0.000 0.000 0.290 186 L C -1.921 174.897 176.870 -0.086 0.000 1.044 186 L CA -1.862 52.947 54.840 -0.052 0.000 0.810 186 L CB 0.885 42.915 42.059 -0.048 0.000 1.193 186 L HN -0.181 nan 8.230 nan 0.000 0.425 187 P HA 0.101 nan 4.420 nan 0.000 0.272 187 P C -0.359 176.913 177.300 -0.047 0.000 1.230 187 P CA 0.101 63.162 63.100 -0.065 0.000 0.788 187 P CB 0.701 32.357 31.700 -0.074 0.000 0.949 188 H N -0.141 118.804 119.070 -0.208 0.000 2.885 188 H HA 0.264 4.820 4.556 -0.000 0.000 0.260 188 H C -0.302 174.966 175.328 -0.100 0.000 0.985 188 H CA 0.016 55.972 56.048 -0.153 0.000 1.210 188 H CB 0.384 30.040 29.762 -0.176 0.000 1.466 188 H HN 0.348 nan 8.280 nan 0.000 0.493 189 N N 0.694 118.970 118.700 -0.706 0.000 2.537 189 N HA 0.127 4.867 4.740 -0.000 0.000 0.281 189 N C 0.467 175.728 175.510 -0.414 0.000 1.097 189 N CA -0.390 52.329 53.050 -0.552 0.000 0.964 189 N CB 1.210 39.307 38.487 -0.650 0.000 1.588 189 N HN 0.056 nan 8.380 nan 0.000 0.511 190 I N 1.397 121.715 120.570 -0.420 0.000 2.076 190 I HA -0.265 3.905 4.170 -0.000 0.000 0.237 190 I C 1.280 177.277 176.117 -0.200 0.000 1.059 190 I CA 1.219 62.294 61.300 -0.375 0.000 1.317 190 I CB -0.068 37.525 38.000 -0.679 0.000 1.037 190 I HN 0.506 nan 8.210 nan 0.000 0.398 191 D N 1.006 121.330 120.400 -0.126 0.000 2.123 191 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 191 D C 2.222 178.515 176.300 -0.011 0.000 0.992 191 D CA 1.639 55.646 54.000 0.012 0.000 0.833 191 D CB -0.254 40.617 40.800 0.118 0.000 0.954 191 D HN 0.377 nan 8.370 nan 0.000 0.455 192 A N 0.278 123.062 122.820 -0.060 0.000 1.933 192 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 192 A C 2.425 180.019 177.584 0.017 0.000 1.175 192 A CA 1.786 53.810 52.037 -0.021 0.000 0.628 192 A CB -0.505 18.443 19.000 -0.086 0.000 0.814 192 A HN 0.152 nan 8.150 nan 0.000 0.444 193 S N -0.537 115.140 115.700 -0.039 0.000 2.356 193 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 193 S C 1.934 176.555 174.600 0.035 0.000 1.032 193 S CA 1.405 59.616 58.200 0.019 0.000 1.005 193 S CB -0.464 62.720 63.200 -0.028 0.000 0.867 193 S HN 0.356 nan 8.310 nan 0.000 0.449 194 V N 2.076 121.998 119.914 0.014 0.000 2.255 194 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 194 V C 2.650 178.765 176.094 0.035 0.000 1.051 194 V CA 1.856 64.170 62.300 0.023 0.000 1.018 194 V CB -1.236 30.599 31.823 0.020 0.000 0.641 194 V HN 0.543 nan 8.190 nan 0.000 0.445 195 A N -0.719 122.124 122.820 0.038 0.000 1.877 195 A HA -0.292 4.028 4.320 -0.000 0.000 0.216 195 A C 2.143 179.758 177.584 0.051 0.000 1.186 195 A CA 1.991 54.053 52.037 0.043 0.000 0.620 195 A CB -0.539 18.488 19.000 0.044 0.000 0.822 195 A HN 0.653 nan 8.150 nan 0.000 0.443 196 Q N -0.942 118.901 119.800 0.071 0.000 2.291 196 Q HA -0.088 4.252 4.340 -0.000 0.000 0.205 196 Q C 1.947 177.990 176.000 0.072 0.000 0.970 196 Q CA 1.523 57.374 55.803 0.080 0.000 0.876 196 Q CB -0.304 28.511 28.738 0.129 0.000 0.935 196 Q HN 0.674 nan 8.270 nan 0.000 0.455 197 T N 0.712 115.306 114.554 0.067 0.000 2.812 197 T HA -0.057 4.293 4.350 -0.000 0.000 0.264 197 T C 1.756 176.486 174.700 0.050 0.000 1.042 197 T CA 0.840 62.975 62.100 0.058 0.000 1.140 197 T CB 0.036 68.933 68.868 0.048 0.000 0.870 197 T HN 0.174 nan 8.240 nan 0.000 0.445 198 M N 1.294 120.922 119.600 0.046 0.000 2.175 198 M HA 0.060 4.540 4.480 -0.000 0.000 0.264 198 M C 2.624 178.965 176.300 0.068 0.000 1.063 198 M CA 0.983 56.313 55.300 0.050 0.000 1.119 198 M CB -1.596 31.029 32.600 0.042 0.000 1.377 198 M HN 0.228 nan 8.290 nan 0.000 0.415 199 S N 1.113 116.845 115.700 0.054 0.000 2.383 199 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 199 S C 1.989 176.625 174.600 0.059 0.000 1.026 199 S CA 1.206 59.431 58.200 0.041 0.000 0.981 199 S CB -0.121 63.089 63.200 0.017 0.000 0.818 199 S HN 0.604 nan 8.310 nan 0.000 0.472 200 R N 0.496 121.031 120.500 0.059 0.000 2.276 200 R HA 0.044 4.384 4.340 -0.000 0.000 0.203 200 R C 1.242 177.584 176.300 0.071 0.000 1.017 200 R CA 1.439 57.574 56.100 0.058 0.000 1.010 200 R CB -0.905 29.425 30.300 0.050 0.000 0.900 200 R HN 0.516 nan 8.270 nan 0.000 0.469 201 T N -2.566 112.037 114.554 0.082 0.000 3.176 201 T HA 0.073 4.423 4.350 -0.000 0.000 0.263 201 T C 0.103 174.858 174.700 0.092 0.000 1.021 201 T CA -0.584 61.560 62.100 0.074 0.000 0.905 201 T CB -0.337 68.564 68.868 0.055 0.000 1.057 201 T HN 0.388 nan 8.240 nan 0.000 0.558 202 H N 0.931 120.011 119.070 0.015 0.000 2.671 202 H HA 0.509 5.065 4.556 -0.000 0.000 0.372 202 H C 0.414 175.748 175.328 0.010 0.000 1.227 202 H CA -0.286 55.770 56.048 0.012 0.000 1.426 202 H CB 0.836 30.604 29.762 0.010 0.000 1.480 202 H HN 0.098 nan 8.280 nan 0.000 0.611 203 V N 3.199 122.823 119.914 -0.484 0.000 2.788 203 V HA 0.177 4.297 4.120 -0.000 0.000 0.307 203 V C 1.078 177.175 176.094 0.005 0.000 1.069 203 V CA 1.242 63.407 62.300 -0.225 0.000 1.173 203 V CB -0.274 31.372 31.823 -0.296 0.000 0.925 203 V HN 1.240 nan 8.190 nan 0.000 0.492 204 G N 3.755 112.562 108.800 0.011 0.000 2.249 204 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.273 204 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.273 204 G C 0.236 175.174 174.900 0.063 0.000 1.036 204 G CA 0.320 45.443 45.100 0.039 0.000 0.824 204 G HN 1.056 nan 8.290 nan 0.000 0.504 205 C N -1.305 118.035 119.300 0.065 0.000 3.178 205 C HA 0.617 5.076 4.460 -0.000 0.000 0.099 205 C C 0.934 175.947 174.990 0.037 0.000 2.497 205 C CA -0.057 58.998 59.018 0.061 0.000 1.927 205 C CB 0.376 28.169 27.740 0.090 0.000 3.085 205 C HN 0.577 nan 8.230 nan 0.000 0.376 206 D N 0.219 120.643 120.400 0.039 0.000 2.401 206 D HA 0.429 5.069 4.640 -0.000 0.000 0.254 206 D C 0.284 176.602 176.300 0.031 0.000 1.192 206 D CA 0.484 54.503 54.000 0.032 0.000 0.885 206 D CB 0.894 41.716 40.800 0.037 0.000 1.147 206 D HN 0.566 nan 8.370 nan 0.000 0.478 207 A N 3.543 126.377 122.820 0.024 0.000 2.312 207 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 207 A C 0.688 178.287 177.584 0.025 0.000 1.256 207 A CA -0.255 51.795 52.037 0.022 0.000 0.966 207 A CB 0.045 19.051 19.000 0.011 0.000 1.053 207 A HN 0.580 nan 8.150 nan 0.000 0.510 208 D N 0.679 121.093 120.400 0.024 0.000 2.382 208 D HA 0.255 4.895 4.640 -0.000 0.000 0.259 208 D C -1.554 174.766 176.300 0.034 0.000 1.224 208 D CA -1.299 52.717 54.000 0.027 0.000 0.894 208 D CB 1.130 41.944 40.800 0.024 0.000 1.127 208 D HN 0.010 nan 8.370 nan 0.000 0.487 209 P HA -0.190 nan 4.420 nan 0.000 0.216 209 P C 1.128 178.454 177.300 0.044 0.000 1.157 209 P CA 1.457 64.581 63.100 0.041 0.000 0.880 209 P CB 0.141 31.865 31.700 0.040 0.000 0.791 210 T N -1.156 113.423 114.554 0.042 0.000 2.737 210 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 210 T C 1.772 176.500 174.700 0.048 0.000 1.038 210 T CA 1.220 63.347 62.100 0.045 0.000 1.144 210 T CB -0.990 67.901 68.868 0.040 0.000 0.866 210 T HN 0.192 nan 8.240 nan 0.000 0.434 211 N N 1.007 119.733 118.700 0.043 0.000 2.120 211 N HA -0.038 4.702 4.740 -0.000 0.000 0.188 211 N C 1.935 177.477 175.510 0.052 0.000 1.024 211 N CA 1.016 54.093 53.050 0.045 0.000 0.852 211 N CB -0.223 38.286 38.487 0.037 0.000 1.003 211 N HN 0.354 nan 8.380 nan 0.000 0.424 212 L N 0.753 122.006 121.223 0.049 0.000 2.046 212 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 212 L C 2.301 179.206 176.870 0.058 0.000 1.077 212 L CA 0.693 55.564 54.840 0.052 0.000 0.747 212 L CB -0.309 41.779 42.059 0.048 0.000 0.896 212 L HN 0.176 nan 8.230 nan 0.000 0.432 213 I N -0.263 120.343 120.570 0.061 0.000 2.315 213 I HA -0.253 3.916 4.170 -0.000 0.000 0.248 213 I C 2.463 178.627 176.117 0.079 0.000 1.117 213 I CA 1.518 62.861 61.300 0.071 0.000 1.404 213 I CB -0.835 37.211 38.000 0.076 0.000 1.071 213 I HN 0.277 nan 8.210 nan 0.000 0.419 214 L N 0.417 121.684 121.223 0.073 0.000 2.027 214 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 214 L C 2.664 179.581 176.870 0.080 0.000 1.074 214 L CA 1.523 56.408 54.840 0.074 0.000 0.745 214 L CB -1.087 41.013 42.059 0.068 0.000 0.898 214 L HN 0.265 nan 8.230 nan 0.000 0.433 215 G N -0.453 108.395 108.800 0.080 0.000 2.450 215 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 215 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 215 G C 1.545 176.494 174.900 0.082 0.000 1.130 215 G CA 0.781 45.934 45.100 0.089 0.000 0.760 215 G HN 0.505 nan 8.290 nan 0.000 0.557 216 G N 0.796 109.642 108.800 0.077 0.000 2.402 216 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.216 216 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.216 216 G C 1.765 176.720 174.900 0.092 0.000 1.162 216 G CA 0.543 45.688 45.100 0.076 0.000 0.777 216 G HN 0.413 nan 8.290 nan 0.000 0.539 217 L N -0.091 121.191 121.223 0.098 0.000 2.131 217 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 217 L C 2.908 179.836 176.870 0.097 0.000 1.092 217 L CA 1.337 56.242 54.840 0.108 0.000 0.759 217 L CB -0.349 41.768 42.059 0.097 0.000 0.903 217 L HN 0.237 nan 8.230 nan 0.000 0.435 218 R N 0.241 120.788 120.500 0.079 0.000 2.066 218 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 218 R C 2.174 178.506 176.300 0.053 0.000 1.131 218 R CA 1.479 57.613 56.100 0.057 0.000 0.955 218 R CB -0.178 30.155 30.300 0.056 0.000 0.851 218 R HN 0.146 nan 8.270 nan 0.000 0.432 219 V N 1.206 121.159 119.914 0.065 0.000 2.490 219 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 219 V C 2.483 178.625 176.094 0.080 0.000 1.061 219 V CA 1.701 64.033 62.300 0.054 0.000 1.064 219 V CB -0.952 30.904 31.823 0.055 0.000 0.670 219 V HN 0.525 nan 8.190 nan 0.000 0.461 220 A N -0.104 122.790 122.820 0.123 0.000 1.933 220 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 220 A C 2.202 179.931 177.584 0.242 0.000 1.175 220 A CA 1.899 54.068 52.037 0.219 0.000 0.628 220 A CB -0.445 18.692 19.000 0.228 0.000 0.814 220 A HN 0.402 nan 8.150 nan 0.000 0.444 221 M N -0.487 119.183 119.600 0.117 0.000 2.296 221 M HA -0.027 4.452 4.480 -0.000 0.000 0.265 221 M C 2.299 178.550 176.300 -0.082 0.000 1.064 221 M CA 1.236 56.537 55.300 0.002 0.000 1.109 221 M CB -1.376 31.219 32.600 -0.009 0.000 1.396 221 M HN 0.490 nan 8.290 nan 0.000 0.430 222 A N -0.376 122.418 122.820 -0.043 0.000 2.119 222 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 222 A C 1.882 179.411 177.584 -0.091 0.000 1.153 222 A CA 1.809 53.785 52.037 -0.101 0.000 0.692 222 A CB -0.729 18.214 19.000 -0.095 0.000 0.799 222 A HN 0.486 nan 8.150 nan 0.000 0.458 223 D N -0.541 119.867 120.400 0.013 0.000 2.137 223 D HA -0.084 4.555 4.640 -0.000 0.000 0.202 223 D C 1.822 178.064 176.300 -0.097 0.000 0.970 223 D CA 0.827 54.896 54.000 0.116 0.000 0.837 223 D CB -0.107 40.940 40.800 0.411 0.000 0.981 223 D HN 0.329 nan 8.370 nan 0.000 0.475 224 L N 0.217 121.165 121.223 -0.457 0.000 1.994 224 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 224 L C 1.946 178.524 176.870 -0.487 0.000 1.071 224 L CA 2.050 56.359 54.840 -0.886 0.000 0.745 224 L CB -0.476 40.855 42.059 -1.213 0.000 0.892 224 L HN 0.147 nan 8.230 nan 0.000 0.431 225 D N -0.697 119.496 120.400 -0.345 0.000 2.133 225 D HA -0.216 4.424 4.640 -0.000 0.000 0.192 225 D C 2.004 178.105 176.300 -0.332 0.000 1.001 225 D CA 1.717 55.562 54.000 -0.259 0.000 0.844 225 D CB -0.169 40.514 40.800 -0.196 0.000 0.944 225 D HN 0.418 nan 8.370 nan 0.000 0.447 226 G N -1.038 107.592 108.800 -0.283 0.000 2.408 226 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 226 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 226 G C 1.796 176.522 174.900 -0.289 0.000 1.150 226 G CA 0.912 45.868 45.100 -0.239 0.000 0.776 226 G HN 0.270 nan 8.290 nan 0.000 0.542 227 S N 0.413 115.928 115.700 -0.308 0.000 2.368 227 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 227 S C 2.428 176.816 174.600 -0.354 0.000 1.029 227 S CA 1.327 59.325 58.200 -0.336 0.000 0.988 227 S CB -0.229 62.780 63.200 -0.318 0.000 0.838 227 S HN 0.372 nan 8.310 nan 0.000 0.462 228 M N 1.035 120.396 119.600 -0.398 0.000 2.064 228 M HA -0.042 4.438 4.480 -0.000 0.000 0.260 228 M C 2.328 178.194 176.300 -0.723 0.000 1.073 228 M CA 1.275 56.339 55.300 -0.395 0.000 1.124 228 M CB -0.764 31.685 32.600 -0.251 0.000 1.326 228 M HN 0.286 nan 8.290 nan 0.000 0.410 229 L N 0.728 121.273 121.223 -1.129 0.000 2.034 229 L HA -0.282 4.058 4.340 -0.000 0.000 0.217 229 L C 2.547 178.931 176.870 -0.810 0.000 1.077 229 L CA 2.058 55.923 54.840 -1.626 0.000 0.769 229 L CB -0.438 40.968 42.059 -1.088 0.000 0.890 229 L HN 0.315 nan 8.230 nan 0.000 0.435 230 A N -1.056 121.451 122.820 -0.523 0.000 1.929 230 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 230 A C 2.177 179.598 177.584 -0.272 0.000 1.176 230 A CA 1.960 53.764 52.037 -0.387 0.000 0.628 230 A CB -0.898 17.800 19.000 -0.504 0.000 0.816 230 A HN 0.564 nan 8.150 nan 0.000 0.444 231 T N -0.084 114.322 114.554 -0.246 0.000 2.698 231 T HA -0.095 4.255 4.350 -0.000 0.000 0.260 231 T C 1.853 176.517 174.700 -0.060 0.000 1.044 231 T CA 1.327 63.361 62.100 -0.111 0.000 1.149 231 T CB -0.249 68.568 68.868 -0.086 0.000 0.864 231 T HN 0.454 nan 8.240 nan 0.000 0.419 232 E N 1.480 121.623 120.200 -0.094 0.000 2.035 232 E HA -0.115 4.235 4.350 -0.000 0.000 0.204 232 E C 2.358 178.993 176.600 0.059 0.000 1.025 232 E CA 1.111 57.530 56.400 0.032 0.000 0.835 232 E CB -0.742 29.059 29.700 0.168 0.000 0.764 232 E HN 0.438 nan 8.360 nan 0.000 0.457 233 L N 1.000 122.236 121.223 0.022 0.000 2.187 233 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 233 L C 2.584 179.486 176.870 0.054 0.000 1.100 233 L CA 0.808 55.683 54.840 0.059 0.000 0.765 233 L CB -0.379 41.705 42.059 0.041 0.000 0.904 233 L HN 0.028 nan 8.230 nan 0.000 0.437 234 S N -0.412 115.330 115.700 0.071 0.000 2.368 234 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 234 S C 1.547 176.273 174.600 0.210 0.000 1.029 234 S CA 1.196 59.519 58.200 0.205 0.000 0.988 234 S CB -0.190 63.130 63.200 0.200 0.000 0.838 234 S HN 0.437 nan 8.310 nan 0.000 0.462 235 D N 1.695 122.167 120.400 0.120 0.000 2.123 235 D HA -0.053 4.587 4.640 -0.000 0.000 0.196 235 D C 2.119 178.446 176.300 0.045 0.000 0.992 235 D CA 1.247 55.302 54.000 0.092 0.000 0.833 235 D CB -0.443 40.390 40.800 0.055 0.000 0.954 235 D HN 0.373 nan 8.370 nan 0.000 0.455 236 A N 0.514 123.345 122.820 0.020 0.000 1.908 236 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 236 A C 2.410 179.935 177.584 -0.100 0.000 1.181 236 A CA 0.998 53.018 52.037 -0.028 0.000 0.627 236 A CB -0.749 18.252 19.000 0.002 0.000 0.818 236 A HN 0.228 nan 8.150 nan 0.000 0.445 237 L N -2.642 118.472 121.223 -0.182 0.000 2.156 237 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 237 L C 1.496 177.919 176.870 -0.744 0.000 1.095 237 L CA 1.033 55.564 54.840 -0.516 0.000 0.770 237 L CB -0.131 41.460 42.059 -0.780 0.000 0.914 237 L HN 0.488 nan 8.230 nan 0.000 0.439 238 F N -1.103 118.884 119.950 0.062 0.000 2.798 238 F HA 0.451 4.977 4.527 -0.000 0.000 0.328 238 F C 0.861 176.676 175.800 0.026 0.000 1.098 238 F CA -0.031 58.009 58.000 0.066 0.000 1.172 238 F CB 0.714 39.777 39.000 0.106 0.000 1.072 238 F HN -0.064 nan 8.300 nan 0.000 0.555 239 G N 1.585 110.452 108.800 0.111 0.000 3.225 239 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 239 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 239 G C -0.376 174.543 174.900 0.031 0.000 1.105 239 G CA -0.638 44.482 45.100 0.033 0.000 0.831 239 G HN 0.240 nan 8.290 nan 0.000 0.578 240 T N 3.900 118.454 114.554 0.001 0.000 2.853 240 T HA 0.544 4.894 4.350 -0.000 0.000 0.298 240 T C -0.986 173.695 174.700 -0.032 0.000 0.978 240 T CA -0.340 61.760 62.100 -0.001 0.000 1.152 240 T CB 0.736 69.599 68.868 -0.008 0.000 0.914 240 T HN 0.613 nan 8.240 nan 0.000 0.539 241 P HA 0.186 nan 4.420 nan 0.000 0.268 241 P C -1.198 176.039 177.300 -0.105 0.000 1.205 241 P CA -0.241 62.817 63.100 -0.071 0.000 0.771 241 P CB 0.631 32.301 31.700 -0.049 0.000 0.858 242 Q N 2.555 122.268 119.800 -0.146 0.000 2.451 242 Q HA 0.640 4.979 4.340 -0.000 0.000 0.281 242 Q C -2.869 172.973 176.000 -0.264 0.000 1.099 242 Q CA -2.913 52.771 55.803 -0.198 0.000 0.806 242 Q CB -0.724 27.923 28.738 -0.152 0.000 1.419 242 Q HN 0.212 nan 8.270 nan 0.000 0.427 243 P HA -0.024 nan 4.420 nan 0.000 0.261 243 P C -1.088 176.096 177.300 -0.194 0.000 1.158 243 P CA 0.290 63.118 63.100 -0.454 0.000 0.758 243 P CB 0.370 31.774 31.700 -0.494 0.000 0.763 244 V N 4.404 124.256 119.914 -0.104 0.000 3.120 244 V HA 0.380 4.500 4.120 -0.000 0.000 0.303 244 V C -0.909 175.204 176.094 0.032 0.000 1.238 244 V CA -0.824 61.456 62.300 -0.033 0.000 1.008 244 V CB 2.649 34.449 31.823 -0.040 0.000 1.064 244 V HN 0.105 nan 8.190 nan 0.000 0.434 245 V N 4.194 124.130 119.914 0.037 0.000 2.617 245 V HA 0.869 4.989 4.120 -0.000 0.000 0.298 245 V C 0.322 176.450 176.094 0.056 0.000 1.048 245 V CA 0.529 62.865 62.300 0.060 0.000 0.964 245 V CB 1.634 33.488 31.823 0.051 0.000 1.004 245 V HN 1.103 nan 8.190 nan 0.000 0.466 246 S N 1.667 117.409 115.700 0.070 0.000 2.800 246 S HA 0.909 5.379 4.470 -0.000 0.000 0.293 246 S C -1.063 173.579 174.600 0.070 0.000 1.209 246 S CA 0.189 58.427 58.200 0.065 0.000 0.884 246 S CB 1.708 64.950 63.200 0.070 0.000 1.244 246 S HN 1.242 nan 8.310 nan 0.000 0.540 247 A N 0.093 122.953 122.820 0.066 0.000 2.479 247 A HA 1.011 5.331 4.320 -0.000 0.000 0.296 247 A C -0.634 176.995 177.584 0.075 0.000 1.121 247 A CA -0.143 51.934 52.037 0.068 0.000 0.743 247 A CB 1.276 20.308 19.000 0.054 0.000 1.323 247 A HN 1.633 nan 8.150 nan 0.000 0.415 248 A N 0.283 123.151 122.820 0.079 0.000 2.569 248 A HA 0.867 5.187 4.320 -0.000 0.000 0.290 248 A C -0.238 177.391 177.584 0.074 0.000 1.136 248 A CA -0.078 52.005 52.037 0.078 0.000 0.710 248 A CB 0.844 19.901 19.000 0.095 0.000 1.303 248 A HN 2.186 nan 8.150 nan 0.000 0.413 249 N N -1.621 117.114 118.700 0.057 0.000 4.790 249 N HA -0.147 4.593 4.740 -0.000 0.000 0.352 249 N C 0.516 176.055 175.510 0.048 0.000 1.812 249 N CA 0.632 53.712 53.050 0.050 0.000 2.823 249 N CB -0.671 37.867 38.487 0.086 0.000 0.434 249 N HN 0.713 nan 8.380 nan 0.000 0.755 250 L N 1.122 122.361 121.223 0.028 0.000 2.064 250 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 250 L C 2.491 179.396 176.870 0.060 0.000 1.077 250 L CA 2.096 56.953 54.840 0.028 0.000 0.766 250 L CB -0.935 41.128 42.059 0.007 0.000 0.890 250 L HN 0.881 nan 8.230 nan 0.000 0.435 251 G N 0.322 109.186 108.800 0.105 0.000 2.597 251 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.222 251 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.222 251 G C 1.549 176.491 174.900 0.070 0.000 1.135 251 G CA 1.451 46.617 45.100 0.110 0.000 0.759 251 G HN 0.450 nan 8.290 nan 0.000 0.595 252 V N -1.059 118.890 119.914 0.059 0.000 3.099 252 V HA 0.003 4.123 4.120 -0.000 0.000 0.269 252 V C 1.622 177.735 176.094 0.031 0.000 1.150 252 V CA 1.218 63.543 62.300 0.041 0.000 1.165 252 V CB -0.765 31.078 31.823 0.034 0.000 0.756 252 V HN 0.410 nan 8.190 nan 0.000 0.527 253 M N 1.186 120.808 119.600 0.036 0.000 1.921 253 M HA 0.430 4.910 4.480 -0.000 0.000 0.243 253 M C 0.097 176.422 176.300 0.042 0.000 1.280 253 M CA 0.143 55.464 55.300 0.035 0.000 0.988 253 M CB 0.496 33.120 32.600 0.040 0.000 1.336 253 M HN 0.416 nan 8.290 nan 0.000 0.496 254 K N -0.660 119.772 120.400 0.052 0.000 2.582 254 K HA 0.270 4.590 4.320 -0.000 0.000 0.259 254 K C -0.416 176.239 176.600 0.092 0.000 0.973 254 K CA -0.733 55.589 56.287 0.059 0.000 0.880 254 K CB 1.256 33.779 32.500 0.038 0.000 1.310 254 K HN 0.565 nan 8.250 nan 0.000 0.443 255 R N 1.838 122.399 120.500 0.101 0.000 2.127 255 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 255 R C 1.553 177.971 176.300 0.197 0.000 1.134 255 R CA 2.234 58.420 56.100 0.143 0.000 0.975 255 R CB -0.332 30.025 30.300 0.096 0.000 0.865 255 R HN 0.908 nan 8.270 nan 0.000 0.447 256 G N -0.677 108.197 108.800 0.123 0.000 2.679 256 G HA2 0.094 4.054 3.960 -0.000 0.000 0.212 256 G HA3 0.094 4.054 3.960 -0.000 0.000 0.212 256 G C 0.041 174.964 174.900 0.038 0.000 1.137 256 G CA 0.503 45.668 45.100 0.109 0.000 0.787 256 G HN 0.436 nan 8.290 nan 0.000 0.534 257 A N -0.593 122.241 122.820 0.023 0.000 2.354 257 A HA 0.688 5.008 4.320 -0.000 0.000 0.321 257 A C -0.625 176.878 177.584 -0.134 0.000 1.125 257 A CA -0.493 51.479 52.037 -0.108 0.000 0.799 257 A CB 1.793 20.758 19.000 -0.059 0.000 1.293 257 A HN 0.195 nan 8.150 nan 0.000 0.452 258 V N 2.905 122.637 119.914 -0.303 0.000 2.427 258 V HA 0.141 4.261 4.120 -0.000 0.000 0.268 258 V C -0.268 175.808 176.094 -0.031 0.000 1.046 258 V CA -0.580 61.602 62.300 -0.197 0.000 0.970 258 V CB 0.289 31.949 31.823 -0.271 0.000 1.001 258 V HN 0.740 nan 8.190 nan 0.000 0.476 259 N N 5.947 124.687 118.700 0.068 0.000 2.426 259 N HA 0.533 5.273 4.740 -0.000 0.000 0.257 259 N C -0.712 174.802 175.510 0.007 0.000 1.002 259 N CA -0.174 52.895 53.050 0.032 0.000 0.942 259 N CB 2.023 40.542 38.487 0.054 0.000 1.112 259 N HN 0.549 nan 8.380 nan 0.000 0.499 260 I N 1.382 121.936 120.570 -0.026 0.000 2.439 260 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 260 I C -0.138 175.942 176.117 -0.063 0.000 1.021 260 I CA -0.908 60.365 61.300 -0.045 0.000 1.091 260 I CB 1.741 39.709 38.000 -0.053 0.000 1.242 260 I HN 0.341 nan 8.210 nan 0.000 0.439 261 A N 6.459 129.236 122.820 -0.071 0.000 2.305 261 A HA 0.772 5.092 4.320 -0.000 0.000 0.322 261 A C -0.341 177.186 177.584 -0.096 0.000 1.187 261 A CA -0.547 51.441 52.037 -0.082 0.000 0.825 261 A CB 1.137 20.088 19.000 -0.082 0.000 1.164 261 A HN 0.579 nan 8.150 nan 0.000 0.498 262 V N 0.981 120.829 119.914 -0.110 0.000 2.417 262 V HA 0.755 4.875 4.120 -0.000 0.000 0.291 262 V C -0.585 175.435 176.094 -0.124 0.000 1.024 262 V CA -0.810 61.415 62.300 -0.125 0.000 0.861 262 V CB 1.171 32.904 31.823 -0.150 0.000 0.985 262 V HN 0.849 nan 8.190 nan 0.000 0.436 263 N N 2.803 121.440 118.700 -0.106 0.000 2.260 263 N HA 0.877 5.617 4.740 -0.000 0.000 0.293 263 N C -0.122 175.353 175.510 -0.059 0.000 1.058 263 N CA 0.710 53.706 53.050 -0.090 0.000 0.824 263 N CB 2.327 40.775 38.487 -0.065 0.000 1.551 263 N HN 1.332 nan 8.380 nan 0.000 0.475 264 G N 1.503 110.270 108.800 -0.054 0.000 2.366 264 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.190 264 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.190 264 G C -0.659 174.233 174.900 -0.014 0.000 1.299 264 G CA -0.261 44.874 45.100 0.058 0.000 1.056 264 G HN 0.596 nan 8.290 nan 0.000 0.468 265 H N -0.390 118.604 119.070 -0.126 0.000 3.580 265 H HA 0.293 4.849 4.556 -0.000 0.000 0.245 265 H C 0.642 175.744 175.328 -0.376 0.000 1.015 265 H CA 0.234 56.159 56.048 -0.205 0.000 1.113 265 H CB 0.460 30.087 29.762 -0.225 0.000 1.469 265 H HN 0.334 nan 8.280 nan 0.000 0.554 266 N N 3.926 122.510 118.700 -0.194 0.000 2.401 266 N HA 0.044 4.784 4.740 -0.000 0.000 0.255 266 N C -1.672 173.788 175.510 -0.082 0.000 1.110 266 N CA -1.651 51.319 53.050 -0.132 0.000 0.949 266 N CB 1.221 39.718 38.487 0.018 0.000 1.110 266 N HN 0.066 nan 8.380 nan 0.000 0.490 267 P HA -0.142 nan 4.420 nan 0.000 0.223 267 P C 1.303 178.395 177.300 -0.347 0.000 1.151 267 P CA 0.930 63.876 63.100 -0.256 0.000 0.787 267 P CB 0.235 31.747 31.700 -0.313 0.000 0.788 268 M N -1.314 118.284 119.600 -0.004 0.000 2.260 268 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 268 M C 1.898 178.294 176.300 0.161 0.000 1.066 268 M CA 1.459 56.952 55.300 0.321 0.000 1.082 268 M CB -0.401 32.524 32.600 0.543 0.000 1.388 268 M HN 0.010 nan 8.290 nan 0.000 0.419 269 L N -0.711 120.397 121.223 -0.192 0.000 2.187 269 L HA 0.010 4.350 4.340 -0.000 0.000 0.197 269 L C 2.531 179.178 176.870 -0.372 0.000 1.090 269 L CA 1.994 56.483 54.840 -0.584 0.000 0.781 269 L CB -1.113 40.400 42.059 -0.910 0.000 0.956 269 L HN 0.289 nan 8.230 nan 0.000 0.463 270 S N -1.029 114.477 115.700 -0.323 0.000 2.372 270 S HA -0.311 4.159 4.470 -0.000 0.000 0.227 270 S C 1.956 176.384 174.600 -0.287 0.000 1.044 270 S CA 1.651 59.685 58.200 -0.278 0.000 1.050 270 S CB -1.232 61.817 63.200 -0.251 0.000 0.901 270 S HN 0.646 nan 8.310 nan 0.000 0.447 271 D N 1.332 121.517 120.400 -0.359 0.000 2.104 271 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 271 D C 1.986 178.149 176.300 -0.229 0.000 0.994 271 D CA 1.520 55.295 54.000 -0.375 0.000 0.830 271 D CB -0.129 40.317 40.800 -0.590 0.000 0.959 271 D HN 0.352 nan 8.370 nan 0.000 0.452 272 I N 1.394 121.866 120.570 -0.164 0.000 2.286 272 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 272 I C 2.593 178.647 176.117 -0.105 0.000 1.115 272 I CA 0.599 61.834 61.300 -0.109 0.000 1.392 272 I CB -0.950 37.022 38.000 -0.046 0.000 1.065 272 I HN 0.150 nan 8.210 nan 0.000 0.418 273 I N 0.133 120.620 120.570 -0.138 0.000 2.226 273 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 273 I C 2.690 178.731 176.117 -0.127 0.000 1.100 273 I CA 1.056 62.282 61.300 -0.124 0.000 1.374 273 I CB -0.331 37.579 38.000 -0.150 0.000 1.057 273 I HN 0.242 nan 8.210 nan 0.000 0.413 274 C N 0.534 119.731 119.300 -0.171 0.000 2.413 274 C HA -0.180 4.280 4.460 -0.000 0.000 0.277 274 C C 2.433 177.346 174.990 -0.129 0.000 1.265 274 C CA 0.712 59.624 59.018 -0.176 0.000 1.752 274 C CB -1.018 26.547 27.740 -0.291 0.000 1.998 274 C HN 0.531 nan 8.230 nan 0.000 0.489 275 D N 0.647 120.977 120.400 -0.116 0.000 2.075 275 D HA -0.094 4.546 4.640 -0.000 0.000 0.196 275 D C 2.197 178.464 176.300 -0.055 0.000 0.985 275 D CA 1.322 55.280 54.000 -0.070 0.000 0.834 275 D CB -0.512 40.253 40.800 -0.058 0.000 0.987 275 D HN 0.267 nan 8.370 nan 0.000 0.452 276 V N 1.994 121.876 119.914 -0.053 0.000 2.453 276 V HA -0.271 3.849 4.120 -0.000 0.000 0.252 276 V C 2.542 178.611 176.094 -0.042 0.000 1.068 276 V CA 1.743 64.021 62.300 -0.038 0.000 1.070 276 V CB -0.898 30.909 31.823 -0.027 0.000 0.664 276 V HN 0.166 nan 8.190 nan 0.000 0.461 277 A N 0.310 123.096 122.820 -0.057 0.000 1.865 277 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 277 A C 2.496 180.049 177.584 -0.051 0.000 1.191 277 A CA 2.345 54.347 52.037 -0.059 0.000 0.623 277 A CB -0.990 17.965 19.000 -0.074 0.000 0.826 277 A HN 0.592 nan 8.150 nan 0.000 0.444 278 A N 0.012 122.803 122.820 -0.048 0.000 1.883 278 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 278 A C 1.728 179.293 177.584 -0.031 0.000 1.186 278 A CA 2.207 54.221 52.037 -0.038 0.000 0.624 278 A CB -0.913 18.069 19.000 -0.030 0.000 0.822 278 A HN 0.500 nan 8.150 nan 0.000 0.444 279 D N 0.361 120.744 120.400 -0.029 0.000 2.242 279 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 279 D C 0.872 177.158 176.300 -0.023 0.000 1.005 279 D CA 1.238 55.225 54.000 -0.022 0.000 0.856 279 D CB -0.705 40.083 40.800 -0.019 0.000 1.001 279 D HN 0.446 nan 8.370 nan 0.000 0.452 280 L N 1.813 123.020 121.223 -0.026 0.000 2.843 280 L HA -0.025 4.315 4.340 -0.000 0.000 0.296 280 L C 1.583 178.432 176.870 -0.036 0.000 1.228 280 L CA -0.078 54.746 54.840 -0.028 0.000 1.188 280 L CB -0.321 41.719 42.059 -0.031 0.000 1.475 280 L HN 0.054 nan 8.230 nan 0.000 0.433 281 R N 1.189 121.672 120.500 -0.029 0.000 2.009 281 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 281 R C 0.951 177.232 176.300 -0.032 0.000 1.297 281 R CA 0.499 56.580 56.100 -0.032 0.000 1.008 281 R CB -0.208 30.079 30.300 -0.023 0.000 0.852 281 R HN 0.509 nan 8.270 nan 0.000 0.475 282 D N 1.824 122.211 120.400 -0.021 0.000 2.417 282 D HA -0.091 4.549 4.640 -0.000 0.000 0.240 282 D C 1.127 177.418 176.300 -0.016 0.000 1.062 282 D CA 0.777 54.767 54.000 -0.016 0.000 0.959 282 D CB 0.143 40.938 40.800 -0.008 0.000 0.877 282 D HN 0.385 nan 8.370 nan 0.000 0.528 283 E N -0.214 119.971 120.200 -0.025 0.000 2.162 283 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 283 E C 1.862 178.439 176.600 -0.038 0.000 0.953 283 E CA 0.191 56.577 56.400 -0.022 0.000 0.849 283 E CB 0.300 29.987 29.700 -0.021 0.000 0.810 283 E HN 0.155 nan 8.360 nan 0.000 0.470 284 A N 1.490 124.268 122.820 -0.069 0.000 1.862 284 A HA 0.029 4.349 4.320 -0.000 0.000 0.211 284 A C 2.160 179.665 177.584 -0.132 0.000 1.220 284 A CA 0.301 52.260 52.037 -0.131 0.000 0.616 284 A CB -0.582 18.313 19.000 -0.174 0.000 0.878 284 A HN 0.046 nan 8.150 nan 0.000 0.453 285 I N 0.448 120.960 120.570 -0.097 0.000 2.185 285 I HA -0.366 3.804 4.170 -0.000 0.000 0.246 285 I C 2.954 179.056 176.117 -0.027 0.000 1.088 285 I CA 1.221 62.482 61.300 -0.065 0.000 1.347 285 I CB -0.412 37.564 38.000 -0.041 0.000 1.041 285 I HN 0.384 nan 8.210 nan 0.000 0.415 286 A N 0.957 123.767 122.820 -0.017 0.000 1.865 286 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 286 A C 2.471 180.074 177.584 0.031 0.000 1.191 286 A CA 1.965 54.006 52.037 0.007 0.000 0.623 286 A CB -1.007 17.997 19.000 0.005 0.000 0.826 286 A HN 0.447 nan 8.150 nan 0.000 0.444 287 A N -1.869 120.970 122.820 0.032 0.000 2.272 287 A HA 0.317 4.637 4.320 -0.000 0.000 0.213 287 A C 1.794 179.493 177.584 0.193 0.000 1.183 287 A CA 1.578 53.673 52.037 0.097 0.000 0.719 287 A CB -1.185 17.875 19.000 0.099 0.000 0.771 287 A HN 2.131 nan 8.150 nan 0.000 0.484 288 G N -3.081 105.801 108.800 0.137 0.000 2.138 288 G HA2 0.171 4.130 3.960 -0.000 0.000 0.193 288 G HA3 0.171 4.130 3.960 -0.000 0.000 0.193 288 G C 0.200 175.255 174.900 0.259 0.000 0.998 288 G CA 0.025 45.261 45.100 0.226 0.000 0.668 288 G HN 1.621 nan 8.290 nan 0.000 0.516 289 A N 0.339 123.112 122.820 -0.079 0.000 2.621 289 A HA 0.873 5.193 4.320 -0.000 0.000 0.329 289 A C 1.569 179.074 177.584 -0.132 0.000 1.458 289 A CA 0.896 52.717 52.037 -0.359 0.000 1.052 289 A CB 0.220 18.802 19.000 -0.696 0.000 1.142 289 A HN 1.760 nan 8.150 nan 0.000 0.523 290 A N 2.256 125.064 122.820 -0.020 0.000 1.859 290 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 290 A C 1.507 179.072 177.584 -0.030 0.000 1.209 290 A CA 1.928 53.963 52.037 -0.003 0.000 0.639 290 A CB -0.474 18.545 19.000 0.033 0.000 0.835 290 A HN 0.759 nan 8.150 nan 0.000 0.450 291 E N -0.561 119.617 120.200 -0.035 0.000 2.463 291 E HA 0.345 4.695 4.350 -0.000 0.000 0.191 291 E C 1.141 177.700 176.600 -0.069 0.000 1.083 291 E CA 0.123 56.500 56.400 -0.038 0.000 0.872 291 E CB -0.299 29.390 29.700 -0.018 0.000 0.966 291 E HN 0.776 nan 8.360 nan 0.000 0.491 292 G N 2.001 110.734 108.800 -0.111 0.000 2.509 292 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.259 292 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.259 292 G C -0.144 174.657 174.900 -0.166 0.000 1.169 292 G CA -0.323 44.698 45.100 -0.132 0.000 0.953 292 G HN 0.208 nan 8.290 nan 0.000 0.563 293 I N 1.742 122.241 120.570 -0.119 0.000 2.321 293 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 293 I C -0.161 175.909 176.117 -0.078 0.000 0.998 293 I CA -0.483 60.751 61.300 -0.111 0.000 1.227 293 I CB 1.658 39.603 38.000 -0.092 0.000 1.368 293 I HN 0.462 nan 8.210 nan 0.000 0.466 294 N N 8.453 127.112 118.700 -0.067 0.000 2.706 294 N HA 0.336 5.076 4.740 -0.000 0.000 0.240 294 N C -0.637 174.848 175.510 -0.043 0.000 1.039 294 N CA -0.590 52.433 53.050 -0.045 0.000 0.888 294 N CB 0.565 39.036 38.487 -0.026 0.000 1.128 294 N HN 0.526 nan 8.380 nan 0.000 0.512 295 I N 1.664 122.201 120.570 -0.055 0.000 2.371 295 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 295 I C -0.001 176.080 176.117 -0.061 0.000 1.028 295 I CA -0.799 60.462 61.300 -0.065 0.000 1.345 295 I CB 0.510 38.459 38.000 -0.085 0.000 1.407 295 I HN 0.319 nan 8.210 nan 0.000 0.501 296 I N 3.144 123.678 120.570 -0.060 0.000 2.603 296 I HA 0.890 5.060 4.170 -0.000 0.000 0.300 296 I C 0.275 176.344 176.117 -0.081 0.000 1.017 296 I CA -0.715 60.550 61.300 -0.057 0.000 1.098 296 I CB 1.793 39.769 38.000 -0.041 0.000 1.279 296 I HN 0.681 nan 8.210 nan 0.000 0.437 297 G N 5.129 113.875 108.800 -0.089 0.000 2.462 297 G HA2 0.763 4.723 3.960 -0.000 0.000 0.319 297 G HA3 0.763 4.723 3.960 -0.000 0.000 0.319 297 G C -0.858 173.957 174.900 -0.143 0.000 1.171 297 G CA -0.808 44.216 45.100 -0.127 0.000 0.920 297 G HN 0.659 nan 8.290 nan 0.000 0.499 298 I N -0.165 120.298 120.570 -0.180 0.000 2.610 298 I HA 0.263 4.432 4.170 -0.000 0.000 0.289 298 I C 0.127 176.104 176.117 -0.234 0.000 1.163 298 I CA -0.374 60.822 61.300 -0.174 0.000 1.044 298 I CB 1.463 39.397 38.000 -0.111 0.000 1.251 298 I HN 0.779 nan 8.210 nan 0.000 0.424 299 C N 2.666 121.793 119.300 -0.289 0.000 0.168 299 C HA -0.285 4.175 4.460 -0.000 0.000 0.017 299 C C 2.340 177.050 174.990 -0.465 0.000 0.171 299 C CA -0.001 58.862 59.018 -0.257 0.000 0.499 299 C CB -1.622 26.062 27.740 -0.094 0.000 3.212 299 C HN 1.036 nan 8.230 nan 0.000 1.118 300 C N -0.113 119.059 119.300 -0.214 0.000 2.388 300 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 300 C C 2.765 177.660 174.990 -0.159 0.000 1.210 300 C CA 2.348 61.299 59.018 -0.111 0.000 1.743 300 C CB -1.687 25.736 27.740 -0.528 0.000 2.047 300 C HN 1.032 nan 8.230 nan 0.000 0.458 301 T N -0.089 114.308 114.554 -0.261 0.000 2.803 301 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 301 T C 1.729 176.325 174.700 -0.174 0.000 1.052 301 T CA 2.084 64.075 62.100 -0.182 0.000 1.136 301 T CB -0.504 68.257 68.868 -0.178 0.000 0.864 301 T HN 0.671 nan 8.240 nan 0.000 0.467 302 G N -0.654 108.003 108.800 -0.239 0.000 2.402 302 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 302 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 302 G C 1.226 176.016 174.900 -0.183 0.000 1.162 302 G CA 0.870 45.825 45.100 -0.243 0.000 0.777 302 G HN 0.652 nan 8.290 nan 0.000 0.539 303 H N 0.207 119.268 119.070 -0.015 0.000 2.423 303 H HA 0.029 4.585 4.556 -0.000 0.000 0.297 303 H C 2.570 177.877 175.328 -0.035 0.000 1.075 303 H CA 1.063 57.128 56.048 0.028 0.000 1.342 303 H CB 0.302 30.142 29.762 0.129 0.000 1.395 303 H HN 0.235 nan 8.280 nan 0.000 0.530 304 E N 0.600 120.834 120.200 0.057 0.000 2.038 304 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 304 E C 2.518 179.116 176.600 -0.002 0.000 1.000 304 E CA 1.653 58.061 56.400 0.014 0.000 0.803 304 E CB -0.378 29.300 29.700 -0.036 0.000 0.750 304 E HN 0.503 nan 8.360 nan 0.000 0.448 305 V N -0.941 118.945 119.914 -0.046 0.000 2.871 305 V HA -0.044 4.076 4.120 -0.000 0.000 0.256 305 V C 2.317 178.433 176.094 0.036 0.000 1.082 305 V CA 1.387 63.670 62.300 -0.029 0.000 1.105 305 V CB -0.539 31.193 31.823 -0.151 0.000 0.713 305 V HN 0.101 nan 8.190 nan 0.000 0.473 306 M N -0.723 118.881 119.600 0.006 0.000 2.288 306 M HA -0.032 4.448 4.480 -0.000 0.000 0.266 306 M C 2.168 178.460 176.300 -0.013 0.000 1.072 306 M CA 1.625 56.934 55.300 0.014 0.000 1.132 306 M CB 0.009 32.631 32.600 0.036 0.000 1.386 306 M HN 0.285 nan 8.290 nan 0.000 0.432 307 M N 0.152 119.722 119.600 -0.051 0.000 2.077 307 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 307 M C 2.159 178.431 176.300 -0.047 0.000 1.070 307 M CA 1.741 56.984 55.300 -0.096 0.000 1.125 307 M CB -1.114 31.424 32.600 -0.102 0.000 1.339 307 M HN 0.309 nan 8.290 nan 0.000 0.409 308 R N -1.045 119.462 120.500 0.011 0.000 2.055 308 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 308 R C 0.466 176.640 176.300 -0.209 0.000 1.143 308 R CA 0.957 57.011 56.100 -0.076 0.000 0.945 308 R CB -0.327 29.979 30.300 0.010 0.000 0.841 308 R HN 0.419 nan 8.270 nan 0.000 0.429 309 H N -2.235 116.813 119.070 -0.037 0.000 2.630 309 H HA 0.278 4.834 4.556 -0.000 0.000 0.343 309 H C 1.200 176.510 175.328 -0.031 0.000 1.232 309 H CA -0.316 55.713 56.048 -0.032 0.000 1.294 309 H CB 0.536 30.278 29.762 -0.034 0.000 1.746 309 H HN 0.151 nan 8.280 nan 0.000 0.593 310 G N -0.115 108.750 108.800 0.109 0.000 2.509 310 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 310 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 310 G C -0.072 174.855 174.900 0.045 0.000 1.124 310 G CA 0.297 45.431 45.100 0.056 0.000 0.776 310 G HN 0.449 nan 8.290 nan 0.000 0.547 311 V N 3.418 123.356 119.914 0.040 0.000 2.996 311 V HA -0.053 4.067 4.120 -0.000 0.000 0.289 311 V C -1.392 174.705 176.094 0.005 0.000 1.171 311 V CA -0.419 61.881 62.300 -0.001 0.000 1.298 311 V CB -0.268 31.529 31.823 -0.043 0.000 0.803 311 V HN 0.280 nan 8.190 nan 0.000 0.448 312 P HA 0.186 nan 4.420 nan 0.000 0.276 312 P C -0.557 176.745 177.300 0.002 0.000 1.230 312 P CA -0.588 62.522 63.100 0.017 0.000 0.776 312 P CB 1.330 33.041 31.700 0.019 0.000 0.888 313 L N 3.537 124.773 121.223 0.021 0.000 2.281 313 L HA 0.386 4.726 4.340 -0.000 0.000 0.285 313 L C 1.367 178.234 176.870 -0.004 0.000 1.074 313 L CA 0.009 54.846 54.840 -0.006 0.000 0.817 313 L CB 0.402 42.485 42.059 0.040 0.000 1.168 313 L HN 0.512 nan 8.230 nan 0.000 0.434 314 A N 3.437 126.237 122.820 -0.033 0.000 1.872 314 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 314 A C 1.059 178.633 177.584 -0.017 0.000 1.187 314 A CA 1.490 53.513 52.037 -0.023 0.000 0.614 314 A CB -0.239 18.736 19.000 -0.041 0.000 0.826 314 A HN 0.778 nan 8.150 nan 0.000 0.442 315 T N -3.492 111.043 114.554 -0.032 0.000 2.676 315 T HA 0.375 4.725 4.350 -0.000 0.000 0.308 315 T C -1.090 173.600 174.700 -0.017 0.000 1.740 315 T CA -0.095 61.997 62.100 -0.012 0.000 0.982 315 T CB -0.127 68.733 68.868 -0.013 0.000 1.724 315 T HN 0.497 nan 8.240 nan 0.000 0.497 316 N N 0.302 119.017 118.700 0.025 0.000 2.592 316 N HA 0.309 5.049 4.740 -0.000 0.000 0.290 316 N C 0.911 176.465 175.510 0.073 0.000 1.364 316 N CA -0.267 52.823 53.050 0.066 0.000 0.878 316 N CB -0.764 37.793 38.487 0.117 0.000 1.104 316 N HN 0.577 nan 8.380 nan 0.000 0.485 317 Y N 0.066 120.359 120.300 -0.011 0.000 2.090 317 Y HA 0.092 4.642 4.550 -0.000 0.000 0.274 317 Y C 2.075 177.914 175.900 -0.103 0.000 1.110 317 Y CA 1.462 59.535 58.100 -0.045 0.000 1.092 317 Y CB -0.805 37.633 38.460 -0.037 0.000 0.992 317 Y HN 0.317 nan 8.280 nan 0.000 0.479 318 L N 0.029 121.021 121.223 -0.386 0.000 2.129 318 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 318 L C 1.961 178.536 176.870 -0.492 0.000 1.087 318 L CA 1.920 56.370 54.840 -0.650 0.000 0.757 318 L CB -0.782 40.964 42.059 -0.523 0.000 0.896 318 L HN 0.378 nan 8.230 nan 0.000 0.434 319 S N -1.156 114.464 115.700 -0.134 0.000 2.634 319 S HA -0.034 4.436 4.470 -0.000 0.000 0.221 319 S C 1.487 176.051 174.600 -0.060 0.000 0.952 319 S CA -0.196 58.027 58.200 0.039 0.000 0.930 319 S CB -0.060 63.217 63.200 0.128 0.000 0.780 319 S HN 0.559 nan 8.310 nan 0.000 0.498 320 Q N 1.672 121.376 119.800 -0.160 0.000 2.439 320 Q HA -0.107 4.233 4.340 -0.000 0.000 0.211 320 Q C 1.214 177.138 176.000 -0.127 0.000 0.978 320 Q CA 1.393 57.115 55.803 -0.136 0.000 0.897 320 Q CB -0.609 28.037 28.738 -0.155 0.000 0.956 320 Q HN 0.716 nan 8.270 nan 0.000 0.483 321 E N 0.712 120.834 120.200 -0.130 0.000 2.190 321 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 321 E C 1.811 178.354 176.600 -0.094 0.000 0.978 321 E CA 0.049 56.380 56.400 -0.115 0.000 0.839 321 E CB 0.084 29.716 29.700 -0.113 0.000 0.787 321 E HN 0.184 nan 8.360 nan 0.000 0.473 322 L N 1.197 122.392 121.223 -0.046 0.000 2.129 322 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 322 L C -0.527 176.295 176.870 -0.079 0.000 1.087 322 L CA 1.760 56.577 54.840 -0.039 0.000 0.757 322 L CB -2.185 39.872 42.059 -0.003 0.000 0.896 322 L HN 0.082 nan 8.230 nan 0.000 0.434 323 P HA -0.128 nan 4.420 nan 0.000 0.218 323 P C 2.109 179.312 177.300 -0.162 0.000 1.148 323 P CA 1.143 64.184 63.100 -0.098 0.000 0.822 323 P CB 0.110 31.757 31.700 -0.089 0.000 0.784 324 I N -1.334 119.092 120.570 -0.241 0.000 2.252 324 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 324 I C 2.144 177.834 176.117 -0.712 0.000 1.102 324 I CA 1.219 62.246 61.300 -0.455 0.000 1.385 324 I CB -0.799 36.918 38.000 -0.472 0.000 1.064 324 I HN -0.106 nan 8.210 nan 0.000 0.414 325 L N 0.131 121.103 121.223 -0.418 0.000 2.127 325 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 325 L C 2.552 179.420 176.870 -0.002 0.000 1.089 325 L CA 1.309 56.050 54.840 -0.166 0.000 0.757 325 L CB -1.340 40.728 42.059 0.015 0.000 0.899 325 L HN 0.261 nan 8.230 nan 0.000 0.434 326 T N -0.070 114.451 114.554 -0.055 0.000 2.822 326 T HA -0.157 4.192 4.350 -0.000 0.000 0.270 326 T C 1.492 176.262 174.700 0.116 0.000 1.064 326 T CA 1.473 63.593 62.100 0.033 0.000 1.131 326 T CB -0.433 68.439 68.868 0.007 0.000 0.858 326 T HN 0.739 nan 8.240 nan 0.000 0.483 327 G N 0.243 109.107 108.800 0.106 0.000 2.155 327 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.257 327 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.257 327 G C 0.502 175.585 174.900 0.304 0.000 0.983 327 G CA 0.267 45.588 45.100 0.369 0.000 0.676 327 G HN 0.909 nan 8.290 nan 0.000 0.528 328 A N -0.980 121.955 122.820 0.192 0.000 2.610 328 A HA 0.710 5.029 4.320 -0.000 0.000 0.291 328 A C 0.280 177.974 177.584 0.184 0.000 1.116 328 A CA 0.283 52.438 52.037 0.197 0.000 0.963 328 A CB 0.415 19.492 19.000 0.130 0.000 1.220 328 A HN 1.123 nan 8.150 nan 0.000 0.530 329 L N 0.530 121.814 121.223 0.103 0.000 2.272 329 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 329 L C 0.790 177.597 176.870 -0.105 0.000 1.045 329 L CA -0.107 54.723 54.840 -0.017 0.000 0.842 329 L CB 0.780 42.767 42.059 -0.121 0.000 1.224 329 L HN 0.240 nan 8.230 nan 0.000 0.430 330 E N 3.278 123.509 120.200 0.052 0.000 2.058 330 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 330 E C 0.235 176.784 176.600 -0.084 0.000 0.997 330 E CA 1.500 57.928 56.400 0.047 0.000 0.801 330 E CB -0.010 29.800 29.700 0.184 0.000 0.746 330 E HN 0.696 nan 8.360 nan 0.000 0.450 331 A N -0.724 122.058 122.820 -0.064 0.000 2.612 331 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 331 A C -1.429 176.108 177.584 -0.078 0.000 1.075 331 A CA -0.655 51.337 52.037 -0.076 0.000 0.680 331 A CB 1.288 20.263 19.000 -0.042 0.000 1.279 331 A HN 0.088 nan 8.150 nan 0.000 0.411 332 M N 2.274 121.825 119.600 -0.081 0.000 2.093 332 M HA 0.537 5.017 4.480 -0.000 0.000 0.297 332 M C -1.824 174.432 176.300 -0.072 0.000 0.938 332 M CA -0.561 54.691 55.300 -0.080 0.000 0.920 332 M CB 1.282 33.830 32.600 -0.086 0.000 1.517 332 M HN 0.450 nan 8.290 nan 0.000 0.427 333 V N 6.036 125.900 119.914 -0.083 0.000 2.364 333 V HA 0.463 4.583 4.120 -0.000 0.000 0.272 333 V C -0.131 175.908 176.094 -0.093 0.000 1.036 333 V CA -0.704 61.541 62.300 -0.091 0.000 0.880 333 V CB 0.821 32.574 31.823 -0.117 0.000 0.991 333 V HN 0.668 nan 8.190 nan 0.000 0.460 334 V N 2.004 121.877 119.914 -0.069 0.000 2.628 334 V HA 0.710 4.830 4.120 -0.000 0.000 0.306 334 V C 0.173 176.243 176.094 -0.040 0.000 1.045 334 V CA -0.467 61.804 62.300 -0.048 0.000 0.905 334 V CB 1.940 33.753 31.823 -0.016 0.000 0.997 334 V HN 0.769 nan 8.190 nan 0.000 0.436 335 D N 3.696 124.076 120.400 -0.033 0.000 2.928 335 D HA 0.206 4.846 4.640 -0.000 0.000 0.265 335 D C 0.189 176.514 176.300 0.042 0.000 1.542 335 D CA 0.380 54.371 54.000 -0.015 0.000 1.133 335 D CB 0.904 41.668 40.800 -0.060 0.000 1.057 335 D HN 0.495 nan 8.370 nan 0.000 0.331 336 V N 1.667 121.612 119.914 0.052 0.000 2.841 336 V HA 0.279 4.399 4.120 -0.000 0.000 0.310 336 V C -1.036 175.088 176.094 0.050 0.000 1.090 336 V CA -0.918 61.417 62.300 0.059 0.000 0.930 336 V CB 1.616 33.478 31.823 0.065 0.000 1.014 336 V HN 0.621 nan 8.190 nan 0.000 0.425 337 Q N 2.959 122.762 119.800 0.005 0.000 3.241 337 Q HA -0.266 4.074 4.340 -0.000 0.000 0.026 337 Q C 0.172 176.207 176.000 0.058 0.000 1.714 337 Q CA 0.409 56.184 55.803 -0.046 0.000 0.238 337 Q CB -1.598 27.000 28.738 -0.234 0.000 0.587 337 Q HN 1.422 nan 8.270 nan 0.000 0.322 338 C N 1.177 120.509 119.300 0.053 0.000 4.549 338 C HA -0.167 4.293 4.460 -0.000 0.000 0.290 338 C C 0.358 175.487 174.990 0.231 0.000 1.328 338 C CA 0.757 59.865 59.018 0.150 0.000 2.002 338 C CB -2.374 25.492 27.740 0.209 0.000 1.238 338 C HN 0.569 nan 8.230 nan 0.000 0.780 339 I N 0.585 121.241 120.570 0.143 0.000 2.382 339 I HA 0.310 4.480 4.170 -0.000 0.000 0.285 339 I C 0.532 176.688 176.117 0.066 0.000 1.007 339 I CA -0.273 61.080 61.300 0.088 0.000 1.142 339 I CB 0.894 38.927 38.000 0.054 0.000 1.289 339 I HN 0.214 nan 8.210 nan 0.000 0.453 340 M N 7.653 127.268 119.600 0.025 0.000 2.252 340 M HA 0.100 4.580 4.480 -0.000 0.000 0.348 340 M C -1.505 174.787 176.300 -0.014 0.000 1.334 340 M CA -0.997 54.294 55.300 -0.014 0.000 1.071 340 M CB 0.241 32.772 32.600 -0.116 0.000 1.763 340 M HN 0.257 nan 8.290 nan 0.000 0.452 341 P HA -0.070 nan 4.420 nan 0.000 0.234 341 P C 0.938 178.232 177.300 -0.009 0.000 1.167 341 P CA 0.800 63.900 63.100 0.000 0.000 0.763 341 P CB 0.040 31.744 31.700 0.007 0.000 0.835 342 S N -1.197 114.487 115.700 -0.026 0.000 2.461 342 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 342 S C 1.849 176.432 174.600 -0.029 0.000 1.005 342 S CA 0.400 58.584 58.200 -0.027 0.000 0.942 342 S CB -1.211 61.962 63.200 -0.046 0.000 0.776 342 S HN -0.070 nan 8.310 nan 0.000 0.514 343 L N 2.352 123.551 121.223 -0.041 0.000 2.010 343 L HA -0.075 4.265 4.340 -0.000 0.000 0.219 343 L C -0.330 176.523 176.870 -0.028 0.000 1.077 343 L CA 2.238 57.049 54.840 -0.047 0.000 0.773 343 L CB -2.805 39.224 42.059 -0.051 0.000 0.892 343 L HN 0.254 nan 8.230 nan 0.000 0.436 344 P HA -0.180 nan 4.420 nan 0.000 0.215 344 P C 1.758 179.067 177.300 0.015 0.000 1.163 344 P CA 1.577 64.678 63.100 0.002 0.000 0.894 344 P CB -0.129 31.578 31.700 0.010 0.000 0.791 345 R N -0.847 119.664 120.500 0.017 0.000 2.088 345 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 345 R C 2.246 178.577 176.300 0.052 0.000 1.136 345 R CA 1.604 57.723 56.100 0.032 0.000 0.926 345 R CB -1.687 28.629 30.300 0.027 0.000 0.837 345 R HN 0.143 nan 8.270 nan 0.000 0.429 346 I N 1.437 122.029 120.570 0.037 0.000 2.181 346 I HA -0.322 3.848 4.170 -0.000 0.000 0.247 346 I C 2.584 178.760 176.117 0.097 0.000 1.081 346 I CA 1.901 63.236 61.300 0.058 0.000 1.340 346 I CB -0.646 37.347 38.000 -0.011 0.000 1.036 346 I HN 0.272 nan 8.210 nan 0.000 0.417 347 A N -0.115 122.724 122.820 0.031 0.000 1.969 347 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 347 A C 2.359 180.027 177.584 0.139 0.000 1.169 347 A CA 1.683 53.739 52.037 0.032 0.000 0.635 347 A CB -1.102 17.875 19.000 -0.039 0.000 0.810 347 A HN 0.458 nan 8.150 nan 0.000 0.445 348 E N -0.986 119.279 120.200 0.109 0.000 2.331 348 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 348 E C 1.661 178.341 176.600 0.134 0.000 1.008 348 E CA 1.537 57.998 56.400 0.101 0.000 0.843 348 E CB -1.575 28.164 29.700 0.066 0.000 0.761 348 E HN 0.743 nan 8.360 nan 0.000 0.507 349 C N -0.714 118.718 119.300 0.221 0.000 2.562 349 C HA 0.412 4.872 4.460 -0.000 0.000 0.266 349 C C 0.792 175.809 174.990 0.045 0.000 1.382 349 C CA -0.420 58.683 59.018 0.141 0.000 1.742 349 C CB -1.370 26.471 27.740 0.168 0.000 1.812 349 C HN 0.571 nan 8.230 nan 0.000 0.559 350 F N -0.457 119.523 119.950 0.050 0.000 3.145 350 F HA 0.319 4.846 4.527 -0.000 0.000 0.324 350 F C 1.725 177.607 175.800 0.137 0.000 1.467 350 F CA -0.538 57.533 58.000 0.118 0.000 1.048 350 F CB -0.379 38.710 39.000 0.148 0.000 1.698 350 F HN -0.003 nan 8.300 nan 0.000 0.427 351 H N -1.863 117.358 119.070 0.252 0.000 2.750 351 H HA 0.247 4.803 4.556 -0.000 0.000 0.263 351 H C -0.020 175.364 175.328 0.093 0.000 0.964 351 H CA 0.498 56.619 56.048 0.121 0.000 1.205 351 H CB -1.434 28.377 29.762 0.082 0.000 1.454 351 H HN 0.255 nan 8.280 nan 0.000 0.503 352 T N 3.632 117.888 114.554 -0.497 0.000 2.903 352 T HA -0.028 4.322 4.350 -0.000 0.000 0.299 352 T C 0.304 174.908 174.700 -0.160 0.000 1.041 352 T CA 0.387 62.239 62.100 -0.413 0.000 1.138 352 T CB 0.734 69.393 68.868 -0.348 0.000 1.040 352 T HN 0.314 nan 8.240 nan 0.000 0.524 353 Q N 1.991 121.716 119.800 -0.124 0.000 2.307 353 Q HA 0.387 4.727 4.340 -0.000 0.000 0.262 353 Q C -0.474 175.492 176.000 -0.056 0.000 0.961 353 Q CA -0.666 55.103 55.803 -0.056 0.000 0.882 353 Q CB 1.819 30.539 28.738 -0.030 0.000 1.264 353 Q HN 0.482 nan 8.270 nan 0.000 0.446 354 I N 4.660 125.210 120.570 -0.034 0.000 2.310 354 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 354 I C 0.129 176.241 176.117 -0.009 0.000 1.073 354 I CA -0.426 60.857 61.300 -0.029 0.000 1.216 354 I CB 0.199 38.187 38.000 -0.020 0.000 1.415 354 I HN 0.467 nan 8.210 nan 0.000 0.480 355 I N 6.263 126.820 120.570 -0.021 0.000 2.297 355 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 355 I C 0.852 176.957 176.117 -0.019 0.000 1.033 355 I CA -0.366 60.923 61.300 -0.018 0.000 1.253 355 I CB 1.220 39.197 38.000 -0.038 0.000 1.396 355 I HN 0.502 nan 8.210 nan 0.000 0.476 356 T N 0.742 115.311 114.554 0.026 0.000 2.899 356 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 356 T C 0.820 175.479 174.700 -0.069 0.000 1.004 356 T CA -0.201 61.939 62.100 0.066 0.000 1.043 356 T CB 1.747 70.755 68.868 0.233 0.000 1.013 356 T HN 0.731 nan 8.240 nan 0.000 0.518 357 T N -3.148 111.385 114.554 -0.035 0.000 2.993 357 T HA 0.221 4.571 4.350 -0.000 0.000 0.260 357 T C 0.091 174.818 174.700 0.045 0.000 0.939 357 T CA -0.258 61.771 62.100 -0.119 0.000 0.886 357 T CB 0.158 68.978 68.868 -0.081 0.000 1.209 357 T HN 0.685 nan 8.240 nan 0.000 0.518 358 D N 1.241 121.746 120.400 0.175 0.000 2.175 358 D HA 0.315 4.955 4.640 -0.000 0.000 0.248 358 D C 0.681 177.135 176.300 0.257 0.000 1.047 358 D CA -0.389 53.722 54.000 0.184 0.000 0.883 358 D CB 1.948 42.830 40.800 0.137 0.000 1.180 358 D HN 0.054 nan 8.370 nan 0.000 0.438 359 K N 1.411 121.908 120.400 0.161 0.000 2.152 359 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 359 K C 0.639 177.383 176.600 0.240 0.000 1.048 359 K CA 0.988 57.358 56.287 0.140 0.000 0.933 359 K CB -0.001 32.519 32.500 0.033 0.000 0.721 359 K HN 0.443 nan 8.250 nan 0.000 0.447 360 H N -0.339 118.783 119.070 0.086 0.000 2.605 360 H HA 0.191 4.747 4.556 -0.000 0.000 0.308 360 H C -0.264 175.099 175.328 0.058 0.000 1.080 360 H CA -0.132 55.954 56.048 0.062 0.000 1.119 360 H CB -0.208 29.598 29.762 0.074 0.000 1.479 360 H HN 0.088 nan 8.280 nan 0.000 0.537 361 N N 1.145 119.953 118.700 0.178 0.000 2.679 361 N HA 0.028 4.768 4.740 -0.000 0.000 0.240 361 N C -1.042 174.534 175.510 0.109 0.000 1.537 361 N CA -0.101 53.025 53.050 0.126 0.000 0.793 361 N CB 0.610 39.174 38.487 0.129 0.000 1.391 361 N HN 0.171 nan 8.380 nan 0.000 0.524 362 K N 1.135 121.566 120.400 0.052 0.000 2.138 362 K HA 0.567 4.887 4.320 -0.000 0.000 0.263 362 K C -0.214 176.399 176.600 0.021 0.000 0.965 362 K CA -0.474 55.822 56.287 0.015 0.000 0.868 362 K CB 2.161 34.599 32.500 -0.104 0.000 1.083 362 K HN 0.212 nan 8.250 nan 0.000 0.443 363 I N 1.531 122.121 120.570 0.034 0.000 2.418 363 I HA 0.120 4.290 4.170 -0.000 0.000 0.287 363 I C -0.189 175.940 176.117 0.020 0.000 1.008 363 I CA -0.741 60.574 61.300 0.025 0.000 1.104 363 I CB 2.058 40.076 38.000 0.030 0.000 1.264 363 I HN 0.481 nan 8.210 nan 0.000 0.438 364 S N 4.431 120.138 115.700 0.012 0.000 2.546 364 S HA 0.293 4.763 4.470 -0.000 0.000 0.290 364 S C 1.066 175.676 174.600 0.017 0.000 1.262 364 S CA 0.868 59.075 58.200 0.011 0.000 1.083 364 S CB 0.504 63.709 63.200 0.008 0.000 0.859 364 S HN 1.138 nan 8.310 nan 0.000 0.495 365 G N 2.196 111.009 108.800 0.021 0.000 2.376 365 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.208 365 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.208 365 G C 0.261 175.179 174.900 0.029 0.000 1.032 365 G CA -0.155 44.959 45.100 0.024 0.000 0.641 365 G HN 1.144 nan 8.290 nan 0.000 0.503 366 A N 0.743 123.583 122.820 0.034 0.000 2.386 366 A HA 0.639 4.959 4.320 -0.000 0.000 0.246 366 A C 0.879 178.499 177.584 0.060 0.000 1.089 366 A CA 1.371 53.432 52.037 0.041 0.000 0.790 366 A CB 0.064 19.093 19.000 0.049 0.000 1.042 366 A HN 1.724 nan 8.150 nan 0.000 0.497 367 T N -0.618 113.970 114.554 0.058 0.000 2.749 367 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 367 T C -0.407 174.354 174.700 0.101 0.000 0.970 367 T CA -0.301 61.842 62.100 0.072 0.000 0.980 367 T CB 0.548 69.443 68.868 0.045 0.000 0.924 367 T HN 0.646 nan 8.240 nan 0.000 0.456 368 H N 2.129 121.213 119.070 0.023 0.000 2.620 368 H HA 0.534 5.090 4.556 -0.000 0.000 0.313 368 H C -0.802 174.548 175.328 0.037 0.000 1.075 368 H CA -0.384 55.682 56.048 0.030 0.000 1.397 368 H CB 0.702 30.484 29.762 0.034 0.000 1.446 368 H HN 0.524 nan 8.280 nan 0.000 0.493 369 V N 8.534 128.243 119.914 -0.341 0.000 2.380 369 V HA 0.219 4.339 4.120 -0.000 0.000 0.268 369 V C -2.256 173.681 176.094 -0.263 0.000 1.008 369 V CA -1.690 60.496 62.300 -0.189 0.000 0.823 369 V CB 0.923 32.699 31.823 -0.078 0.000 1.053 369 V HN 0.840 nan 8.190 nan 0.000 0.446 370 P HA -0.064 nan 4.420 nan 0.000 0.260 370 P C -0.617 176.709 177.300 0.042 0.000 1.172 370 P CA 0.324 63.378 63.100 -0.077 0.000 0.760 370 P CB 0.075 31.804 31.700 0.048 0.000 0.773 371 F N 4.644 124.546 119.950 -0.080 0.000 2.368 371 F HA 0.202 4.729 4.527 -0.000 0.000 0.362 371 F C 0.194 175.993 175.800 -0.001 0.000 1.137 371 F CA -0.778 57.201 58.000 -0.035 0.000 1.161 371 F CB 0.129 39.106 39.000 -0.038 0.000 1.265 371 F HN 0.171 nan 8.300 nan 0.000 0.530 372 D N 5.256 125.421 120.400 -0.390 0.000 2.359 372 D HA 0.074 4.713 4.640 -0.000 0.000 0.230 372 D C 0.676 176.625 176.300 -0.585 0.000 1.118 372 D CA -0.072 53.722 54.000 -0.343 0.000 0.844 372 D CB 1.183 41.910 40.800 -0.122 0.000 1.059 372 D HN 0.621 nan 8.370 nan 0.000 0.493 373 E N 1.904 121.734 120.200 -0.616 0.000 2.130 373 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 373 E C 1.262 177.707 176.600 -0.258 0.000 0.998 373 E CA 1.414 57.504 56.400 -0.516 0.000 0.806 373 E CB -0.274 29.133 29.700 -0.488 0.000 0.738 373 E HN 0.640 nan 8.360 nan 0.000 0.459 374 H N -0.085 118.891 119.070 -0.157 0.000 2.543 374 H HA 0.048 4.604 4.556 -0.000 0.000 0.286 374 H C 0.365 175.675 175.328 -0.029 0.000 1.037 374 H CA 0.999 57.007 56.048 -0.067 0.000 1.250 374 H CB 0.195 29.909 29.762 -0.079 0.000 1.373 374 H HN -0.029 nan 8.280 nan 0.000 0.580 375 K N -0.545 119.861 120.400 0.009 0.000 3.012 375 K HA 0.336 4.656 4.320 -0.000 0.000 0.207 375 K C 0.904 177.482 176.600 -0.038 0.000 1.130 375 K CA 0.173 56.463 56.287 0.006 0.000 1.021 375 K CB 1.300 33.798 32.500 -0.004 0.000 0.736 375 K HN 0.116 nan 8.250 nan 0.000 0.448 376 A N 0.770 123.573 122.820 -0.027 0.000 1.848 376 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 376 A C 2.051 179.725 177.584 0.149 0.000 1.220 376 A CA 2.046 54.114 52.037 0.052 0.000 0.645 376 A CB -0.815 18.319 19.000 0.223 0.000 0.842 376 A HN 0.105 nan 8.150 nan 0.000 0.451 377 V N 0.223 120.185 119.914 0.080 0.000 2.370 377 V HA -0.342 3.778 4.120 -0.000 0.000 0.252 377 V C 2.433 178.562 176.094 0.058 0.000 1.068 377 V CA 2.562 64.893 62.300 0.052 0.000 1.061 377 V CB -1.100 30.733 31.823 0.018 0.000 0.656 377 V HN 0.655 nan 8.190 nan 0.000 0.455 378 E N -0.250 119.983 120.200 0.055 0.000 2.077 378 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 378 E C 2.329 178.964 176.600 0.057 0.000 0.989 378 E CA 1.789 58.216 56.400 0.046 0.000 0.800 378 E CB -0.273 29.449 29.700 0.037 0.000 0.746 378 E HN 0.604 nan 8.360 nan 0.000 0.452 379 T N 0.781 115.385 114.554 0.083 0.000 2.857 379 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 379 T C 1.969 176.747 174.700 0.131 0.000 1.048 379 T CA 0.950 63.121 62.100 0.118 0.000 1.139 379 T CB -0.165 68.815 68.868 0.187 0.000 0.874 379 T HN 0.226 nan 8.240 nan 0.000 0.455 380 A N 2.162 125.074 122.820 0.154 0.000 1.883 380 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 380 A C 2.246 179.851 177.584 0.035 0.000 1.186 380 A CA 1.797 53.884 52.037 0.083 0.000 0.624 380 A CB -0.516 18.525 19.000 0.067 0.000 0.822 380 A HN 0.461 nan 8.150 nan 0.000 0.444 381 K N -0.979 119.442 120.400 0.035 0.000 2.063 381 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 381 K C 2.144 178.756 176.600 0.019 0.000 1.048 381 K CA 1.830 58.128 56.287 0.018 0.000 0.928 381 K CB -0.493 32.018 32.500 0.019 0.000 0.713 381 K HN 0.522 nan 8.250 nan 0.000 0.442 382 T N 1.735 116.306 114.554 0.028 0.000 2.684 382 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 382 T C 1.931 176.642 174.700 0.018 0.000 1.036 382 T CA 1.331 63.446 62.100 0.025 0.000 1.148 382 T CB -0.239 68.647 68.868 0.030 0.000 0.863 382 T HN 0.141 nan 8.240 nan 0.000 0.436 383 I N 0.647 121.226 120.570 0.015 0.000 2.142 383 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 383 I C 2.312 178.425 176.117 -0.007 0.000 1.078 383 I CA 1.425 62.724 61.300 -0.001 0.000 1.343 383 I CB -0.467 37.524 38.000 -0.016 0.000 1.046 383 I HN 0.202 nan 8.210 nan 0.000 0.405 384 I N 0.204 120.767 120.570 -0.011 0.000 2.361 384 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 384 I C 2.675 178.790 176.117 -0.003 0.000 1.133 384 I CA 1.082 62.372 61.300 -0.016 0.000 1.413 384 I CB -0.361 37.624 38.000 -0.026 0.000 1.073 384 I HN 0.168 nan 8.210 nan 0.000 0.424 385 R N 0.644 121.147 120.500 0.006 0.000 2.081 385 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 385 R C 2.245 178.562 176.300 0.028 0.000 1.131 385 R CA 1.521 57.630 56.100 0.016 0.000 0.960 385 R CB -0.524 29.786 30.300 0.018 0.000 0.856 385 R HN 0.281 nan 8.270 nan 0.000 0.436 386 M N -0.650 118.964 119.600 0.024 0.000 2.202 386 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 386 M C 2.115 178.442 176.300 0.045 0.000 1.063 386 M CA 1.917 57.235 55.300 0.031 0.000 1.097 386 M CB -0.260 32.351 32.600 0.019 0.000 1.382 386 M HN 0.247 nan 8.290 nan 0.000 0.413 387 A N 0.534 123.377 122.820 0.037 0.000 1.874 387 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 387 A C 1.978 179.624 177.584 0.104 0.000 1.189 387 A CA 1.024 53.094 52.037 0.056 0.000 0.615 387 A CB -0.739 18.273 19.000 0.021 0.000 0.830 387 A HN 0.448 nan 8.150 nan 0.000 0.443 388 I N 0.021 120.629 120.570 0.064 0.000 2.657 388 I HA -0.272 3.898 4.170 -0.000 0.000 0.261 388 I C 2.656 178.866 176.117 0.155 0.000 1.212 388 I CA 0.848 62.192 61.300 0.074 0.000 1.453 388 I CB -0.262 37.747 38.000 0.015 0.000 1.092 388 I HN 0.388 nan 8.210 nan 0.000 0.452 389 A N 0.778 123.674 122.820 0.127 0.000 1.862 389 A HA 0.129 4.449 4.320 -0.000 0.000 0.211 389 A C 2.553 180.228 177.584 0.152 0.000 1.220 389 A CA 0.990 53.100 52.037 0.122 0.000 0.616 389 A CB -0.807 18.242 19.000 0.080 0.000 0.878 389 A HN 0.333 nan 8.150 nan 0.000 0.453 390 A N -1.133 121.781 122.820 0.157 0.000 2.076 390 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 390 A C 1.909 179.666 177.584 0.288 0.000 1.160 390 A CA 1.616 53.772 52.037 0.198 0.000 0.653 390 A CB -0.793 18.302 19.000 0.158 0.000 0.801 390 A HN 0.687 nan 8.150 nan 0.000 0.455 391 F N 1.082 121.105 119.950 0.123 0.000 2.075 391 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 391 F C 2.155 177.980 175.800 0.041 0.000 1.113 391 F CA 1.669 59.727 58.000 0.097 0.000 1.218 391 F CB -0.747 38.286 39.000 0.056 0.000 0.984 391 F HN 0.184 nan 8.300 nan 0.000 0.472 392 G N -0.534 108.256 108.800 -0.018 0.000 2.776 392 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.209 392 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.209 392 G C 1.578 176.397 174.900 -0.134 0.000 1.145 392 G CA 0.234 45.250 45.100 -0.139 0.000 0.791 392 G HN 0.390 nan 8.290 nan 0.000 0.530 393 R N -0.338 120.103 120.500 -0.098 0.000 2.437 393 R HA 0.214 4.554 4.340 -0.000 0.000 0.257 393 R C 1.113 177.296 176.300 -0.195 0.000 0.927 393 R CA -0.613 55.449 56.100 -0.064 0.000 1.078 393 R CB 0.138 30.471 30.300 0.055 0.000 1.161 393 R HN 0.234 nan 8.270 nan 0.000 0.529 394 R N 0.970 121.215 120.500 -0.424 0.000 2.537 394 R HA -0.019 4.321 4.340 -0.000 0.000 0.280 394 R C -0.745 175.269 176.300 -0.475 0.000 1.058 394 R CA -0.059 55.532 56.100 -0.848 0.000 1.057 394 R CB 0.557 30.407 30.300 -0.749 0.000 0.973 394 R HN -0.083 nan 8.270 nan 0.000 0.438 395 D N 5.802 125.971 120.400 -0.385 0.000 2.338 395 D HA 0.062 4.702 4.640 -0.000 0.000 0.255 395 D C -1.475 174.732 176.300 -0.155 0.000 1.237 395 D CA -2.041 51.843 54.000 -0.193 0.000 0.883 395 D CB 1.516 42.244 40.800 -0.121 0.000 1.087 395 D HN 0.487 nan 8.370 nan 0.000 0.485 396 P HA -0.071 nan 4.420 nan 0.000 0.223 396 P C 0.416 177.684 177.300 -0.053 0.000 1.151 396 P CA 0.590 63.630 63.100 -0.099 0.000 0.787 396 P CB 0.541 32.183 31.700 -0.097 0.000 0.788 397 N N -0.155 118.514 118.700 -0.052 0.000 2.336 397 N HA 0.079 4.819 4.740 -0.000 0.000 0.189 397 N C 1.363 176.861 175.510 -0.020 0.000 1.113 397 N CA 0.189 53.220 53.050 -0.032 0.000 0.858 397 N CB 0.231 38.696 38.487 -0.036 0.000 0.970 397 N HN 0.307 nan 8.380 nan 0.000 0.471 398 R N -0.046 120.445 120.500 -0.014 0.000 2.446 398 R HA 0.230 4.570 4.340 -0.000 0.000 0.254 398 R C 0.206 176.555 176.300 0.082 0.000 0.918 398 R CA -0.130 55.980 56.100 0.017 0.000 1.069 398 R CB 0.884 31.173 30.300 -0.018 0.000 1.194 398 R HN -0.101 nan 8.270 nan 0.000 0.534 399 V N 1.615 121.565 119.914 0.061 0.000 3.032 399 V HA 0.218 4.338 4.120 -0.000 0.000 0.307 399 V C 0.384 176.526 176.094 0.080 0.000 1.097 399 V CA 0.392 62.741 62.300 0.081 0.000 1.191 399 V CB 1.243 33.095 31.823 0.049 0.000 0.964 399 V HN 0.356 nan 8.190 nan 0.000 0.494 400 A N 5.775 128.648 122.820 0.088 0.000 2.480 400 A HA 0.544 4.864 4.320 -0.000 0.000 0.302 400 A C -1.000 176.631 177.584 0.078 0.000 1.151 400 A CA -0.496 51.588 52.037 0.079 0.000 0.907 400 A CB 0.174 19.224 19.000 0.084 0.000 1.487 400 A HN 0.633 nan 8.150 nan 0.000 0.396 401 I N 2.919 123.536 120.570 0.077 0.000 2.330 401 I HA 0.329 4.499 4.170 -0.000 0.000 0.286 401 I C -2.100 174.083 176.117 0.109 0.000 1.025 401 I CA -1.923 59.426 61.300 0.081 0.000 1.197 401 I CB 1.444 39.488 38.000 0.073 0.000 1.358 401 I HN 0.356 nan 8.210 nan 0.000 0.467 402 P HA -0.021 nan 4.420 nan 0.000 0.266 402 P C 0.621 178.083 177.300 0.269 0.000 1.186 402 P CA 0.053 63.329 63.100 0.293 0.000 0.767 402 P CB 0.873 32.773 31.700 0.333 0.000 0.820 403 A N 2.554 125.485 122.820 0.185 0.000 2.014 403 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 403 A C 0.667 178.267 177.584 0.026 0.000 1.163 403 A CA 0.214 52.260 52.037 0.013 0.000 0.652 403 A CB -1.126 17.794 19.000 -0.133 0.000 0.808 403 A HN 0.582 nan 8.150 nan 0.000 0.449 404 F N 0.637 120.595 119.950 0.013 0.000 2.417 404 F HA -0.022 4.505 4.527 -0.000 0.000 0.412 404 F C 0.973 176.784 175.800 0.018 0.000 0.964 404 F CA 1.037 59.046 58.000 0.015 0.000 1.081 404 F CB 0.032 39.039 39.000 0.012 0.000 0.909 404 F HN 0.164 nan 8.300 nan 0.000 0.522 405 K N 3.479 123.963 120.400 0.139 0.000 3.050 405 K HA 0.142 4.462 4.320 -0.000 0.000 0.185 405 K C -0.659 175.992 176.600 0.084 0.000 1.147 405 K CA -0.773 55.575 56.287 0.102 0.000 0.916 405 K CB 0.485 33.025 32.500 0.066 0.000 1.119 405 K HN 0.487 nan 8.250 nan 0.000 0.605 406 Q N 2.673 122.536 119.800 0.104 0.000 2.311 406 Q HA 0.083 4.423 4.340 -0.000 0.000 0.272 406 Q C -0.953 175.096 176.000 0.082 0.000 1.012 406 Q CA 0.550 56.408 55.803 0.092 0.000 0.891 406 Q CB 0.769 29.570 28.738 0.105 0.000 1.201 406 Q HN 0.178 nan 8.270 nan 0.000 0.391 407 K N 1.466 121.910 120.400 0.073 0.000 2.185 407 K HA 0.530 4.850 4.320 -0.000 0.000 0.271 407 K C -0.907 175.745 176.600 0.086 0.000 1.013 407 K CA -0.069 56.261 56.287 0.072 0.000 0.943 407 K CB 1.229 33.765 32.500 0.061 0.000 0.998 407 K HN 0.665 nan 8.250 nan 0.000 0.468 408 S N 1.453 117.210 115.700 0.096 0.000 2.540 408 S HA 0.535 5.005 4.470 -0.000 0.000 0.275 408 S C -0.722 173.958 174.600 0.133 0.000 1.123 408 S CA -0.800 57.471 58.200 0.119 0.000 0.907 408 S CB 1.010 64.297 63.200 0.144 0.000 1.081 408 S HN 0.389 nan 8.310 nan 0.000 0.476 409 I N 3.099 123.764 120.570 0.158 0.000 2.330 409 I HA 0.447 4.617 4.170 -0.000 0.000 0.286 409 I C -0.051 176.269 176.117 0.339 0.000 1.025 409 I CA -0.578 60.852 61.300 0.218 0.000 1.197 409 I CB 0.828 38.965 38.000 0.228 0.000 1.358 409 I HN 0.516 nan 8.210 nan 0.000 0.467 410 V N 2.012 122.105 119.914 0.300 0.000 3.182 410 V HA 0.973 5.093 4.120 -0.000 0.000 0.311 410 V C 0.607 176.813 176.094 0.187 0.000 1.221 410 V CA -0.312 62.186 62.300 0.329 0.000 1.060 410 V CB 1.319 33.221 31.823 0.132 0.000 1.164 410 V HN 0.887 nan 8.190 nan 0.000 0.466 411 G N -0.315 108.545 108.800 0.101 0.000 2.215 411 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.198 411 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.198 411 G C -0.613 174.185 174.900 -0.170 0.000 1.047 411 G CA 0.078 45.134 45.100 -0.075 0.000 0.747 411 G HN 0.966 nan 8.290 nan 0.000 0.495 412 F N 3.089 123.042 119.950 0.005 0.000 2.509 412 F HA 0.460 4.987 4.527 -0.000 0.000 0.344 412 F C 1.458 177.274 175.800 0.026 0.000 1.197 412 F CA -0.332 57.682 58.000 0.024 0.000 1.294 412 F CB 0.194 39.220 39.000 0.044 0.000 1.643 412 F HN 0.318 nan 8.300 nan 0.000 0.596 413 S N 0.238 115.977 115.700 0.065 0.000 2.589 413 S HA 0.384 4.854 4.470 -0.000 0.000 0.265 413 S C 1.541 176.186 174.600 0.075 0.000 1.342 413 S CA -0.312 57.925 58.200 0.061 0.000 1.005 413 S CB 1.265 64.473 63.200 0.014 0.000 0.909 413 S HN 0.527 nan 8.310 nan 0.000 0.555 414 A N 0.811 123.671 122.820 0.066 0.000 1.978 414 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 414 A C 2.010 179.622 177.584 0.045 0.000 1.170 414 A CA 1.839 53.913 52.037 0.062 0.000 0.636 414 A CB -1.091 17.939 19.000 0.051 0.000 0.810 414 A HN 0.892 nan 8.150 nan 0.000 0.448 415 E N 0.094 120.310 120.200 0.027 0.000 2.017 415 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 415 E C 2.356 178.956 176.600 -0.001 0.000 0.997 415 E CA 1.449 57.855 56.400 0.010 0.000 0.804 415 E CB -0.644 29.054 29.700 -0.004 0.000 0.757 415 E HN 0.533 nan 8.360 nan 0.000 0.448 416 A N 0.644 123.449 122.820 -0.025 0.000 1.927 416 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 416 A C 2.527 180.106 177.584 -0.008 0.000 1.185 416 A CA 1.985 53.980 52.037 -0.071 0.000 0.639 416 A CB -1.048 17.841 19.000 -0.185 0.000 0.820 416 A HN 0.161 nan 8.150 nan 0.000 0.451 417 V N -0.607 119.348 119.914 0.069 0.000 2.343 417 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 417 V C 2.536 178.673 176.094 0.071 0.000 1.051 417 V CA 2.019 64.393 62.300 0.123 0.000 1.036 417 V CB -0.628 31.278 31.823 0.139 0.000 0.654 417 V HN 0.401 nan 8.190 nan 0.000 0.451 418 V N 0.125 120.067 119.914 0.045 0.000 2.548 418 V HA -0.147 3.973 4.120 -0.000 0.000 0.249 418 V C 2.614 178.721 176.094 0.021 0.000 1.055 418 V CA 1.570 63.889 62.300 0.031 0.000 1.065 418 V CB -0.938 30.900 31.823 0.024 0.000 0.681 418 V HN 0.541 nan 8.190 nan 0.000 0.462 419 A N 0.240 123.066 122.820 0.011 0.000 1.898 419 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 419 A C 2.421 180.008 177.584 0.005 0.000 1.181 419 A CA 1.947 53.983 52.037 -0.002 0.000 0.620 419 A CB -0.643 18.343 19.000 -0.023 0.000 0.819 419 A HN 0.537 nan 8.150 nan 0.000 0.442 420 A N -0.240 122.591 122.820 0.018 0.000 1.898 420 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 420 A C 2.057 179.663 177.584 0.035 0.000 1.181 420 A CA 1.334 53.391 52.037 0.033 0.000 0.620 420 A CB -0.596 18.448 19.000 0.074 0.000 0.819 420 A HN 0.454 nan 8.150 nan 0.000 0.442 421 L N -0.654 120.592 121.223 0.038 0.000 2.353 421 L HA -0.162 4.178 4.340 -0.000 0.000 0.220 421 L C 2.887 179.770 176.870 0.021 0.000 1.133 421 L CA 0.617 55.475 54.840 0.031 0.000 0.798 421 L CB -0.438 41.640 42.059 0.032 0.000 0.922 421 L HN 0.469 nan 8.230 nan 0.000 0.445 422 A N -0.152 122.678 122.820 0.017 0.000 1.897 422 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 422 A C 1.918 179.508 177.584 0.011 0.000 1.181 422 A CA 1.062 53.105 52.037 0.011 0.000 0.620 422 A CB -0.194 18.810 19.000 0.007 0.000 0.821 422 A HN 0.118 nan 8.150 nan 0.000 0.443 423 K N -0.650 119.757 120.400 0.012 0.000 2.699 423 K HA 0.177 4.497 4.320 -0.000 0.000 0.205 423 K C 0.608 177.216 176.600 0.014 0.000 1.008 423 K CA 0.599 56.892 56.287 0.011 0.000 1.100 423 K CB 0.022 32.529 32.500 0.012 0.000 0.878 423 K HN 0.270 nan 8.250 nan 0.000 0.496 424 V N -1.210 118.713 119.914 0.014 0.000 3.400 424 V HA 0.245 4.365 4.120 -0.000 0.000 0.281 424 V C -1.139 174.962 176.094 0.012 0.000 1.617 424 V CA -0.147 62.162 62.300 0.014 0.000 1.044 424 V CB -0.044 31.790 31.823 0.018 0.000 0.858 424 V HN 0.515 nan 8.190 nan 0.000 0.425 425 N N -0.320 118.386 118.700 0.011 0.000 4.193 425 N HA 0.199 4.939 4.740 -0.000 0.000 0.161 425 N C 0.458 175.974 175.510 0.009 0.000 1.406 425 N CA 0.607 53.663 53.050 0.009 0.000 0.884 425 N CB 0.548 39.041 38.487 0.010 0.000 1.738 425 N HN 0.147 nan 8.380 nan 0.000 0.780 426 A N 1.382 124.207 122.820 0.007 0.000 2.121 426 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 426 A C 1.462 179.050 177.584 0.006 0.000 1.154 426 A CA 1.333 53.374 52.037 0.006 0.000 0.679 426 A CB -0.074 18.928 19.000 0.005 0.000 0.795 426 A HN 0.727 nan 8.150 nan 0.000 0.458 427 D N 0.111 120.514 120.400 0.006 0.000 2.149 427 D HA -0.020 4.620 4.640 -0.000 0.000 0.206 427 D C -0.243 176.061 176.300 0.006 0.000 0.967 427 D CA 0.832 54.835 54.000 0.005 0.000 0.848 427 D CB -0.027 40.776 40.800 0.005 0.000 0.998 427 D HN 0.374 nan 8.370 nan 0.000 0.474 428 D N 0.427 120.831 120.400 0.007 0.000 2.400 428 D HA 0.167 4.807 4.640 -0.000 0.000 0.272 428 D C -1.933 174.372 176.300 0.010 0.000 1.220 428 D CA -1.350 52.654 54.000 0.008 0.000 0.897 428 D CB 2.359 43.163 40.800 0.007 0.000 1.134 428 D HN -0.122 nan 8.370 nan 0.000 0.507 429 P HA -0.122 nan 4.420 nan 0.000 0.218 429 P C 1.521 178.830 177.300 0.016 0.000 1.148 429 P CA 0.529 63.638 63.100 0.014 0.000 0.822 429 P CB 0.506 32.215 31.700 0.015 0.000 0.784 430 L N -0.850 120.381 121.223 0.014 0.000 2.313 430 L HA -0.061 4.278 4.340 -0.000 0.000 0.214 430 L C 2.285 179.161 176.870 0.011 0.000 1.119 430 L CA 1.485 56.333 54.840 0.013 0.000 0.809 430 L CB -1.362 40.704 42.059 0.012 0.000 0.933 430 L HN -0.111 nan 8.230 nan 0.000 0.449 431 K N 1.220 121.626 120.400 0.010 0.000 1.988 431 K HA -0.183 4.137 4.320 -0.000 0.000 0.221 431 K C -0.638 175.967 176.600 0.009 0.000 1.053 431 K CA 2.282 58.574 56.287 0.008 0.000 0.959 431 K CB -1.590 30.915 32.500 0.008 0.000 0.728 431 K HN 0.174 nan 8.250 nan 0.000 0.447 432 P HA -0.226 nan 4.420 nan 0.000 0.216 432 P C 1.663 178.970 177.300 0.012 0.000 1.153 432 P CA 1.351 64.458 63.100 0.012 0.000 0.858 432 P CB -0.222 31.487 31.700 0.014 0.000 0.789 433 L N -0.006 121.225 121.223 0.013 0.000 2.046 433 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 433 L C 2.372 179.247 176.870 0.009 0.000 1.077 433 L CA 1.820 56.667 54.840 0.013 0.000 0.747 433 L CB -1.134 40.934 42.059 0.016 0.000 0.896 433 L HN -0.128 nan 8.230 nan 0.000 0.432 434 V N 0.651 120.569 119.914 0.008 0.000 2.237 434 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 434 V C 2.435 178.531 176.094 0.004 0.000 1.046 434 V CA 1.999 64.301 62.300 0.005 0.000 1.007 434 V CB -0.635 31.191 31.823 0.004 0.000 0.638 434 V HN 0.432 nan 8.190 nan 0.000 0.445 435 D N 0.493 120.896 120.400 0.005 0.000 2.156 435 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 435 D C 1.980 178.283 176.300 0.006 0.000 0.998 435 D CA 1.682 55.685 54.000 0.005 0.000 0.842 435 D CB -0.692 40.112 40.800 0.006 0.000 0.974 435 D HN 0.376 nan 8.370 nan 0.000 0.447 436 N N 0.477 119.182 118.700 0.007 0.000 2.247 436 N HA -0.135 4.605 4.740 -0.000 0.000 0.189 436 N C 1.932 177.446 175.510 0.007 0.000 1.009 436 N CA 0.597 53.652 53.050 0.009 0.000 0.872 436 N CB -0.151 38.342 38.487 0.010 0.000 0.980 436 N HN 0.110 nan 8.380 nan 0.000 0.436 437 V N 0.428 120.344 119.914 0.004 0.000 2.719 437 V HA -0.076 4.044 4.120 -0.000 0.000 0.252 437 V C 2.306 178.399 176.094 -0.002 0.000 1.065 437 V CA 0.735 63.035 62.300 0.000 0.000 1.086 437 V CB -0.017 31.804 31.823 -0.004 0.000 0.700 437 V HN 0.042 nan 8.190 nan 0.000 0.467 438 V N 2.013 121.927 119.914 -0.000 0.000 2.488 438 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 438 V C 2.272 178.367 176.094 0.001 0.000 1.046 438 V CA 2.100 64.399 62.300 -0.001 0.000 1.053 438 V CB -0.903 30.919 31.823 -0.000 0.000 0.679 438 V HN 0.864 nan 8.190 nan 0.000 0.458 439 N N 0.651 119.353 118.700 0.004 0.000 2.300 439 N HA 0.157 4.897 4.740 -0.000 0.000 0.179 439 N C 1.376 176.891 175.510 0.010 0.000 1.016 439 N CA 1.651 54.705 53.050 0.007 0.000 0.876 439 N CB 0.064 38.555 38.487 0.008 0.000 0.979 439 N HN 0.418 nan 8.380 nan 0.000 0.432 440 G N -1.026 107.780 108.800 0.011 0.000 2.367 440 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.181 440 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.181 440 G C 0.796 175.712 174.900 0.026 0.000 1.000 440 G CA 0.132 45.243 45.100 0.018 0.000 0.693 440 G HN 0.221 nan 8.290 nan 0.000 0.480 441 N N 0.327 119.039 118.700 0.021 0.000 2.094 441 N HA -0.061 4.679 4.740 -0.000 0.000 0.191 441 N C 0.867 176.394 175.510 0.027 0.000 1.023 441 N CA 1.289 54.353 53.050 0.023 0.000 0.857 441 N CB 0.108 38.605 38.487 0.017 0.000 1.013 441 N HN 0.493 nan 8.380 nan 0.000 0.426 442 I N 1.814 122.397 120.570 0.023 0.000 2.371 442 I HA 0.084 4.254 4.170 -0.000 0.000 0.282 442 I C 0.984 177.114 176.117 0.022 0.000 1.031 442 I CA -0.401 60.913 61.300 0.023 0.000 1.180 442 I CB 1.778 39.785 38.000 0.012 0.000 1.336 442 I HN -0.115 nan 8.210 nan 0.000 0.467 443 Q N 3.893 123.720 119.800 0.045 0.000 2.084 443 Q HA 0.025 4.365 4.340 -0.000 0.000 0.202 443 Q C 0.950 176.935 176.000 -0.025 0.000 0.978 443 Q CA 0.965 56.784 55.803 0.026 0.000 0.844 443 Q CB 0.284 29.094 28.738 0.120 0.000 0.898 443 Q HN 0.897 nan 8.270 nan 0.000 0.426 444 G N -1.232 107.565 108.800 -0.006 0.000 2.427 444 G HA2 0.508 4.468 3.960 -0.000 0.000 0.306 444 G HA3 0.508 4.468 3.960 -0.000 0.000 0.306 444 G C -1.622 173.264 174.900 -0.024 0.000 1.280 444 G CA -0.834 44.247 45.100 -0.032 0.000 0.837 444 G HN 0.040 nan 8.290 nan 0.000 0.482 445 I N 0.073 120.615 120.570 -0.046 0.000 2.533 445 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 445 I C -0.751 175.304 176.117 -0.103 0.000 1.056 445 I CA -1.174 60.090 61.300 -0.060 0.000 1.057 445 I CB 2.238 40.209 38.000 -0.047 0.000 1.240 445 I HN 0.361 nan 8.210 nan 0.000 0.423 446 V N 7.352 127.173 119.914 -0.154 0.000 2.459 446 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 446 V C -0.833 175.055 176.094 -0.344 0.000 1.029 446 V CA -0.529 61.594 62.300 -0.295 0.000 0.874 446 V CB 2.031 33.593 31.823 -0.436 0.000 0.985 446 V HN 0.542 nan 8.190 nan 0.000 0.438 447 L N 7.407 128.441 121.223 -0.314 0.000 2.276 447 L HA 0.556 4.896 4.340 -0.000 0.000 0.286 447 L C -1.194 175.538 176.870 -0.229 0.000 1.024 447 L CA -0.348 54.376 54.840 -0.195 0.000 0.826 447 L CB 1.090 43.099 42.059 -0.084 0.000 1.211 447 L HN 0.626 nan 8.230 nan 0.000 0.422 448 F N 5.252 125.230 119.950 0.046 0.000 2.411 448 F HA 0.415 4.942 4.527 0.000 0.000 0.355 448 F C 0.450 176.242 175.800 -0.014 0.000 1.117 448 F CA -0.479 57.564 58.000 0.071 0.000 1.139 448 F CB 1.587 40.705 39.000 0.196 0.000 1.120 448 F HN 0.295 nan 8.300 nan 0.000 0.493 449 V N 1.126 121.144 119.914 0.172 0.000 3.130 449 V HA 1.087 5.207 4.120 -0.000 0.000 0.310 449 V C -0.306 175.845 176.094 0.095 0.000 1.158 449 V CA -0.428 61.910 62.300 0.064 0.000 1.029 449 V CB 1.359 33.189 31.823 0.011 0.000 1.057 449 V HN 1.109 nan 8.190 nan 0.000 0.436 450 G N 0.080 108.918 108.800 0.064 0.000 2.353 450 G HA2 0.278 4.238 3.960 -0.000 0.000 0.424 450 G HA3 0.278 4.238 3.960 -0.000 0.000 0.424 450 G C -0.560 174.415 174.900 0.124 0.000 1.320 450 G CA -0.064 45.106 45.100 0.116 0.000 0.995 450 G HN 1.513 nan 8.290 nan 0.000 0.580 451 C N -0.964 118.402 119.300 0.111 0.000 2.522 451 C HA 0.866 5.326 4.460 -0.000 0.000 0.301 451 C C 0.131 175.197 174.990 0.127 0.000 2.987 451 C CA -0.823 58.232 59.018 0.062 0.000 1.903 451 C CB 0.814 28.494 27.740 -0.101 0.000 2.744 451 C HN 0.758 nan 8.230 nan 0.000 0.376 452 N N 0.627 119.370 118.700 0.071 0.000 2.577 452 N HA 0.323 5.063 4.740 -0.000 0.000 0.275 452 N C -1.011 174.513 175.510 0.023 0.000 1.091 452 N CA 0.149 53.241 53.050 0.069 0.000 0.843 452 N CB 1.582 40.163 38.487 0.157 0.000 1.295 452 N HN 0.659 nan 8.380 nan 0.000 0.530 453 T N -0.433 114.074 114.554 -0.077 0.000 2.922 453 T HA 0.274 4.624 4.350 -0.000 0.000 0.285 453 T C 1.432 176.018 174.700 -0.191 0.000 1.005 453 T CA -0.199 61.831 62.100 -0.116 0.000 1.061 453 T CB 0.645 69.439 68.868 -0.124 0.000 1.007 453 T HN 0.525 nan 8.240 nan 0.000 0.502 454 T N 1.226 115.589 114.554 -0.320 0.000 3.067 454 T HA 0.126 4.476 4.350 -0.000 0.000 0.261 454 T C 1.365 175.703 174.700 -0.603 0.000 1.110 454 T CA 0.424 62.192 62.100 -0.553 0.000 1.113 454 T CB -0.107 68.194 68.868 -0.945 0.000 0.917 454 T HN 0.659 nan 8.240 nan 0.000 0.499 455 K N 0.998 121.166 120.400 -0.387 0.000 2.589 455 K HA 0.294 4.614 4.320 -0.000 0.000 0.192 455 K C -0.380 176.156 176.600 -0.106 0.000 1.029 455 K CA 0.023 56.199 56.287 -0.185 0.000 1.031 455 K CB 0.105 32.564 32.500 -0.068 0.000 0.821 455 K HN 0.255 nan 8.250 nan 0.000 0.502 456 V N 0.905 120.741 119.914 -0.130 0.000 2.969 456 V HA 0.052 4.172 4.120 -0.000 0.000 0.304 456 V C -0.782 175.273 176.094 -0.066 0.000 1.192 456 V CA -1.168 61.077 62.300 -0.091 0.000 0.962 456 V CB 2.189 33.936 31.823 -0.128 0.000 1.045 456 V HN 0.101 nan 8.190 nan 0.000 0.428 457 Q N 3.171 122.949 119.800 -0.036 0.000 2.247 457 Q HA 0.043 4.382 4.340 -0.000 0.000 0.288 457 Q C 0.961 176.959 176.000 -0.003 0.000 1.079 457 Q CA 0.087 55.892 55.803 0.003 0.000 0.932 457 Q CB 0.462 29.192 28.738 -0.013 0.000 1.133 457 Q HN 0.617 nan 8.270 nan 0.000 0.377 458 Q N 1.963 121.822 119.800 0.098 0.000 2.473 458 Q HA -0.335 4.005 4.340 -0.000 0.000 0.238 458 Q C -0.006 175.998 176.000 0.007 0.000 1.088 458 Q CA 2.236 58.109 55.803 0.116 0.000 0.989 458 Q CB -0.166 28.665 28.738 0.154 0.000 0.972 458 Q HN 0.753 nan 8.270 nan 0.000 0.543 459 D N -0.892 119.502 120.400 -0.010 0.000 2.696 459 D HA 0.153 4.793 4.640 -0.000 0.000 0.269 459 D C 0.859 177.119 176.300 -0.067 0.000 1.319 459 D CA 0.203 54.188 54.000 -0.025 0.000 0.826 459 D CB 0.374 41.184 40.800 0.017 0.000 1.086 459 D HN 0.153 nan 8.370 nan 0.000 0.481 460 S N 1.041 116.683 115.700 -0.096 0.000 2.349 460 S HA -0.176 4.293 4.470 -0.000 0.000 0.216 460 S C 2.168 176.716 174.600 -0.088 0.000 1.033 460 S CA 1.645 59.800 58.200 -0.075 0.000 1.021 460 S CB 0.085 63.246 63.200 -0.064 0.000 0.968 460 S HN 0.296 nan 8.310 nan 0.000 0.426 461 A N 0.342 123.071 122.820 -0.152 0.000 1.892 461 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 461 A C 1.980 179.523 177.584 -0.069 0.000 1.188 461 A CA 1.955 53.922 52.037 -0.117 0.000 0.631 461 A CB -1.468 17.435 19.000 -0.163 0.000 0.822 461 A HN 0.796 nan 8.150 nan 0.000 0.447 462 Y N -0.386 119.810 120.300 -0.174 0.000 2.040 462 Y HA -0.294 4.256 4.550 -0.000 0.000 0.275 462 Y C 2.659 178.486 175.900 -0.121 0.000 1.171 462 Y CA 1.209 59.095 58.100 -0.357 0.000 1.123 462 Y CB -0.473 37.577 38.460 -0.683 0.000 0.963 462 Y HN 0.156 nan 8.280 nan 0.000 0.493 463 V N 0.179 120.158 119.914 0.109 0.000 2.295 463 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 463 V C 1.667 177.772 176.094 0.019 0.000 1.049 463 V CA 2.107 64.470 62.300 0.106 0.000 1.024 463 V CB -0.539 31.304 31.823 0.034 0.000 0.648 463 V HN 0.458 nan 8.190 nan 0.000 0.447 464 D N -0.293 120.113 120.400 0.010 0.000 2.144 464 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 464 D C 2.122 178.440 176.300 0.030 0.000 0.978 464 D CA 0.967 54.969 54.000 0.003 0.000 0.833 464 D CB -0.028 40.776 40.800 0.006 0.000 0.961 464 D HN 0.337 nan 8.370 nan 0.000 0.470 465 L N 0.651 121.914 121.223 0.067 0.000 2.109 465 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 465 L C 2.404 179.407 176.870 0.222 0.000 1.086 465 L CA 0.841 55.775 54.840 0.157 0.000 0.760 465 L CB -0.125 42.087 42.059 0.256 0.000 0.910 465 L HN -0.053 nan 8.230 nan 0.000 0.437 466 A N 0.087 122.966 122.820 0.098 0.000 1.845 466 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 466 A C 2.248 179.832 177.584 -0.001 0.000 1.195 466 A CA 1.764 53.834 52.037 0.055 0.000 0.616 466 A CB -0.392 18.436 19.000 -0.287 0.000 0.832 466 A HN 0.313 nan 8.150 nan 0.000 0.443 467 K N -0.271 120.081 120.400 -0.080 0.000 2.063 467 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 467 K C 2.450 179.044 176.600 -0.009 0.000 1.048 467 K CA 1.394 57.621 56.287 -0.099 0.000 0.928 467 K CB -0.329 32.060 32.500 -0.184 0.000 0.713 467 K HN 0.447 nan 8.250 nan 0.000 0.442 468 S N 1.274 116.979 115.700 0.009 0.000 2.369 468 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 468 S C 1.902 176.493 174.600 -0.015 0.000 1.043 468 S CA 1.403 59.606 58.200 0.005 0.000 1.074 468 S CB -0.235 62.980 63.200 0.026 0.000 0.962 468 S HN 0.232 nan 8.310 nan 0.000 0.433 469 L N 0.748 121.992 121.223 0.036 0.000 2.179 469 L HA 0.128 4.468 4.340 -0.000 0.000 0.208 469 L C 2.864 179.751 176.870 0.027 0.000 1.096 469 L CA 0.845 55.707 54.840 0.036 0.000 0.779 469 L CB -0.592 41.530 42.059 0.106 0.000 0.922 469 L HN 0.407 nan 8.230 nan 0.000 0.443 470 A N 0.123 122.961 122.820 0.029 0.000 2.019 470 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 470 A C 2.286 179.884 177.584 0.023 0.000 1.164 470 A CA 1.683 53.733 52.037 0.022 0.000 0.644 470 A CB -0.276 18.727 19.000 0.006 0.000 0.805 470 A HN 0.189 nan 8.150 nan 0.000 0.449 471 K N -0.104 120.301 120.400 0.008 0.000 2.062 471 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 471 K C 1.541 178.116 176.600 -0.042 0.000 1.051 471 K CA 1.003 57.289 56.287 -0.001 0.000 0.941 471 K CB -0.169 32.326 32.500 -0.008 0.000 0.719 471 K HN 0.218 nan 8.250 nan 0.000 0.440 472 R N 1.575 122.007 120.500 -0.114 0.000 2.386 472 R HA 0.121 4.461 4.340 -0.000 0.000 0.216 472 R C -0.493 175.841 176.300 0.056 0.000 1.119 472 R CA 0.289 56.270 56.100 -0.197 0.000 1.158 472 R CB -0.826 29.016 30.300 -0.763 0.000 1.057 472 R HN 0.301 nan 8.270 nan 0.000 0.489 473 N N -0.789 117.942 118.700 0.052 0.000 2.756 473 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 473 N C -1.338 174.232 175.510 0.100 0.000 1.062 473 N CA 0.867 53.963 53.050 0.077 0.000 0.696 473 N CB -1.245 37.293 38.487 0.085 0.000 0.946 473 N HN -0.019 nan 8.380 nan 0.000 0.548 474 V N 1.192 121.159 119.914 0.089 0.000 2.384 474 V HA 0.381 4.501 4.120 -0.000 0.000 0.287 474 V C 0.815 176.921 176.094 0.020 0.000 1.020 474 V CA -0.845 61.499 62.300 0.074 0.000 0.850 474 V CB 2.133 34.022 31.823 0.111 0.000 0.987 474 V HN 0.281 nan 8.190 nan 0.000 0.436 475 L N 5.969 127.191 121.223 -0.003 0.000 2.416 475 L HA 0.456 4.796 4.340 -0.000 0.000 0.272 475 L C -0.506 176.332 176.870 -0.052 0.000 1.161 475 L CA 0.181 55.004 54.840 -0.028 0.000 0.845 475 L CB 1.094 43.137 42.059 -0.026 0.000 1.119 475 L HN 0.483 nan 8.230 nan 0.000 0.464 476 V N 6.525 126.396 119.914 -0.071 0.000 2.384 476 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 476 V C -0.013 176.028 176.094 -0.088 0.000 1.020 476 V CA -0.514 61.739 62.300 -0.078 0.000 0.850 476 V CB 1.421 33.197 31.823 -0.078 0.000 0.987 476 V HN 0.587 nan 8.190 nan 0.000 0.436 477 L N 4.131 125.323 121.223 -0.051 0.000 2.346 477 L HA 0.990 5.329 4.340 -0.000 0.000 0.274 477 L C -0.025 176.886 176.870 0.069 0.000 1.007 477 L CA -0.591 54.240 54.840 -0.015 0.000 0.818 477 L CB 2.016 44.070 42.059 -0.008 0.000 1.284 477 L HN 0.746 nan 8.230 nan 0.000 0.424 478 A N 1.214 124.081 122.820 0.079 0.000 2.549 478 A HA 0.881 5.201 4.320 -0.000 0.000 0.297 478 A C -0.536 177.049 177.584 0.002 0.000 1.061 478 A CA -0.409 51.703 52.037 0.126 0.000 0.690 478 A CB 2.089 21.268 19.000 0.299 0.000 1.287 478 A HN 0.706 nan 8.150 nan 0.000 0.402 479 T N -1.506 113.023 114.554 -0.042 0.000 2.742 479 T HA 0.858 5.207 4.350 -0.000 0.000 0.282 479 T C 0.959 175.523 174.700 -0.227 0.000 1.025 479 T CA 0.225 62.272 62.100 -0.088 0.000 1.020 479 T CB 0.802 69.688 68.868 0.030 0.000 1.317 479 T HN 2.609 nan 8.240 nan 0.000 0.538 480 G N -0.270 108.387 108.800 -0.239 0.000 2.602 480 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.306 480 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.306 480 G C 1.204 175.908 174.900 -0.327 0.000 1.301 480 G CA 0.402 45.365 45.100 -0.228 0.000 0.974 480 G HN 1.264 nan 8.290 nan 0.000 0.547 481 C N 1.038 120.312 119.300 -0.042 0.000 2.450 481 C HA 0.281 4.741 4.460 -0.000 0.000 0.279 481 C C 3.482 178.335 174.990 -0.228 0.000 1.335 481 C CA 1.679 60.709 59.018 0.020 0.000 1.749 481 C CB -1.678 26.133 27.740 0.118 0.000 1.963 481 C HN 1.035 nan 8.230 nan 0.000 0.501 482 A N 1.056 123.604 122.820 -0.452 0.000 1.865 482 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 482 A C 2.406 179.390 177.584 -1.000 0.000 1.191 482 A CA 2.228 53.520 52.037 -1.242 0.000 0.623 482 A CB -1.069 17.328 19.000 -1.005 0.000 0.826 482 A HN 0.566 nan 8.150 nan 0.000 0.444 483 A N -0.650 121.829 122.820 -0.569 0.000 1.972 483 A HA 0.111 4.431 4.320 -0.000 0.000 0.219 483 A C 2.377 179.713 177.584 -0.413 0.000 1.169 483 A CA 1.944 53.695 52.037 -0.478 0.000 0.635 483 A CB -1.345 17.174 19.000 -0.802 0.000 0.810 483 A HN 0.776 nan 8.150 nan 0.000 0.446 484 G N -0.424 108.207 108.800 -0.281 0.000 2.418 484 G HA2 0.000 3.960 3.960 -0.000 0.000 0.217 484 G HA3 0.000 3.960 3.960 -0.000 0.000 0.217 484 G C 1.746 176.602 174.900 -0.073 0.000 1.158 484 G CA 1.485 46.607 45.100 0.037 0.000 0.771 484 G HN 0.768 nan 8.290 nan 0.000 0.545 485 A N 0.995 123.667 122.820 -0.247 0.000 1.849 485 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 485 A C 2.196 179.664 177.584 -0.193 0.000 1.202 485 A CA 1.656 53.541 52.037 -0.254 0.000 0.629 485 A CB -0.894 17.863 19.000 -0.406 0.000 0.834 485 A HN 0.370 nan 8.150 nan 0.000 0.447 486 F N 0.273 120.131 119.950 -0.154 0.000 2.147 486 F HA -0.248 4.279 4.527 -0.000 0.000 0.301 486 F C 2.813 178.572 175.800 -0.068 0.000 1.084 486 F CA 0.667 58.584 58.000 -0.138 0.000 1.268 486 F CB -0.360 38.522 39.000 -0.198 0.000 1.009 486 F HN 0.318 nan 8.300 nan 0.000 0.486 487 A N 0.679 123.565 122.820 0.111 0.000 1.845 487 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 487 A C 2.132 179.777 177.584 0.101 0.000 1.195 487 A CA 1.951 54.060 52.037 0.118 0.000 0.616 487 A CB -0.694 18.389 19.000 0.139 0.000 0.832 487 A HN 0.323 nan 8.150 nan 0.000 0.443 488 K N -0.174 120.271 120.400 0.075 0.000 2.097 488 K HA -0.030 4.290 4.320 -0.000 0.000 0.206 488 K C 2.194 178.842 176.600 0.079 0.000 1.049 488 K CA 1.175 57.504 56.287 0.071 0.000 0.933 488 K CB -0.353 32.173 32.500 0.044 0.000 0.717 488 K HN 0.446 nan 8.250 nan 0.000 0.442 489 A N 0.377 123.241 122.820 0.073 0.000 1.972 489 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 489 A C 1.721 179.356 177.584 0.086 0.000 1.169 489 A CA 1.586 53.669 52.037 0.078 0.000 0.635 489 A CB -0.621 18.431 19.000 0.087 0.000 0.810 489 A HN 0.467 nan 8.150 nan 0.000 0.446 490 G N -1.979 106.877 108.800 0.093 0.000 2.144 490 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 490 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 490 G C 0.597 175.540 174.900 0.073 0.000 0.988 490 G CA 0.298 45.450 45.100 0.088 0.000 0.659 490 G HN 0.437 nan 8.290 nan 0.000 0.522 491 L N -0.122 121.135 121.223 0.057 0.000 2.492 491 L HA 0.308 4.648 4.340 -0.000 0.000 0.223 491 L C 1.954 178.806 176.870 -0.031 0.000 1.132 491 L CA 0.423 55.254 54.840 -0.015 0.000 0.850 491 L CB -0.110 41.886 42.059 -0.104 0.000 0.966 491 L HN 0.328 nan 8.230 nan 0.000 0.454 492 M N 0.384 119.997 119.600 0.021 0.000 3.654 492 M HA 0.179 4.659 4.480 -0.000 0.000 0.212 492 M C -0.510 175.816 176.300 0.043 0.000 1.354 492 M CA 0.333 55.642 55.300 0.015 0.000 1.564 492 M CB -0.127 32.521 32.600 0.080 0.000 1.056 492 M HN -0.070 nan 8.290 nan 0.000 0.608 493 T N -0.992 113.579 114.554 0.028 0.000 2.916 493 T HA 0.241 4.590 4.350 -0.000 0.000 0.305 493 T C 0.974 175.698 174.700 0.039 0.000 1.119 493 T CA -0.597 61.532 62.100 0.050 0.000 1.008 493 T CB 1.964 70.871 68.868 0.065 0.000 1.129 493 T HN 0.514 nan 8.240 nan 0.000 0.480 494 S N 1.923 117.651 115.700 0.047 0.000 2.348 494 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 494 S C 1.849 176.471 174.600 0.036 0.000 1.033 494 S CA 1.385 59.609 58.200 0.040 0.000 1.010 494 S CB -0.396 62.832 63.200 0.047 0.000 0.891 494 S HN 0.874 nan 8.310 nan 0.000 0.442 495 E N 2.868 123.091 120.200 0.039 0.000 2.110 495 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 495 E C 2.217 178.847 176.600 0.050 0.000 0.988 495 E CA 1.121 57.540 56.400 0.032 0.000 0.804 495 E CB -0.782 28.934 29.700 0.027 0.000 0.745 495 E HN 0.590 nan 8.360 nan 0.000 0.458 496 A N 1.540 124.413 122.820 0.088 0.000 1.997 496 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 496 A C 2.409 180.103 177.584 0.184 0.000 1.172 496 A CA 2.375 54.517 52.037 0.176 0.000 0.645 496 A CB -1.120 17.955 19.000 0.125 0.000 0.813 496 A HN 0.364 nan 8.150 nan 0.000 0.454 497 T N -0.261 114.343 114.554 0.083 0.000 2.770 497 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 497 T C 2.185 176.909 174.700 0.039 0.000 1.039 497 T CA 2.030 64.165 62.100 0.058 0.000 1.142 497 T CB -0.635 68.245 68.868 0.019 0.000 0.868 497 T HN 0.845 nan 8.240 nan 0.000 0.435 498 T N 0.179 114.742 114.554 0.014 0.000 2.977 498 T HA -0.098 4.252 4.350 -0.000 0.000 0.271 498 T C 1.764 176.425 174.700 -0.065 0.000 1.105 498 T CA 1.138 63.228 62.100 -0.017 0.000 1.116 498 T CB -0.200 68.658 68.868 -0.016 0.000 0.878 498 T HN 0.408 nan 8.240 nan 0.000 0.509 499 Q N -1.254 118.484 119.800 -0.104 0.000 2.352 499 Q HA 0.192 4.532 4.340 -0.000 0.000 0.212 499 Q C 0.527 176.194 176.000 -0.554 0.000 0.888 499 Q CA 0.135 55.733 55.803 -0.342 0.000 0.934 499 Q CB 0.418 28.871 28.738 -0.474 0.000 1.093 499 Q HN 0.780 nan 8.270 nan 0.000 0.523 500 Y N -1.856 118.435 120.300 -0.015 0.000 2.437 500 Y HA 0.432 4.982 4.550 -0.000 0.000 0.266 500 Y C 0.296 176.183 175.900 -0.021 0.000 1.077 500 Y CA -0.256 57.833 58.100 -0.017 0.000 1.235 500 Y CB 0.649 39.097 38.460 -0.020 0.000 1.303 500 Y HN 0.000 nan 8.280 nan 0.000 0.536 501 A N 1.922 124.813 122.820 0.118 0.000 2.476 501 A HA 0.452 4.772 4.320 -0.000 0.000 0.275 501 A C 1.040 178.645 177.584 0.034 0.000 1.133 501 A CA 0.388 52.461 52.037 0.061 0.000 0.797 501 A CB -0.705 18.317 19.000 0.037 0.000 1.081 501 A HN 0.387 nan 8.150 nan 0.000 0.510 502 G N 2.545 111.363 108.800 0.030 0.000 2.321 502 G HA2 0.191 4.151 3.960 -0.000 0.000 0.237 502 G HA3 0.191 4.151 3.960 -0.000 0.000 0.237 502 G C 0.656 175.565 174.900 0.015 0.000 1.282 502 G CA 0.316 45.425 45.100 0.016 0.000 0.886 502 G HN 0.893 nan 8.290 nan 0.000 0.528 503 E N 1.777 121.982 120.200 0.009 0.000 2.160 503 E HA -0.332 4.018 4.350 -0.000 0.000 0.237 503 E C 2.679 179.287 176.600 0.013 0.000 1.069 503 E CA 1.770 58.175 56.400 0.008 0.000 0.950 503 E CB -0.515 29.188 29.700 0.006 0.000 0.832 503 E HN 0.644 nan 8.360 nan 0.000 0.496 504 G N 1.944 110.754 108.800 0.018 0.000 2.679 504 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.222 504 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.222 504 G C 1.387 176.300 174.900 0.021 0.000 1.164 504 G CA 1.248 46.361 45.100 0.021 0.000 0.769 504 G HN 0.172 nan 8.290 nan 0.000 0.610 505 L N 1.069 122.306 121.223 0.023 0.000 1.973 505 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 505 L C 2.680 179.558 176.870 0.014 0.000 1.073 505 L CA 2.800 57.652 54.840 0.020 0.000 0.746 505 L CB -1.139 40.934 42.059 0.023 0.000 0.891 505 L HN 0.404 nan 8.230 nan 0.000 0.433 506 K N -0.527 119.881 120.400 0.014 0.000 2.207 506 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 506 K C 1.775 178.381 176.600 0.010 0.000 1.046 506 K CA 1.704 57.998 56.287 0.011 0.000 0.929 506 K CB -0.381 32.125 32.500 0.009 0.000 0.720 506 K HN 0.567 nan 8.250 nan 0.000 0.463 507 G N 0.783 109.589 108.800 0.011 0.000 2.575 507 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.215 507 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.215 507 G C 1.404 176.311 174.900 0.012 0.000 1.262 507 G CA 0.915 46.021 45.100 0.010 0.000 0.807 507 G HN 0.289 nan 8.290 nan 0.000 0.567 508 V N 0.712 120.634 119.914 0.013 0.000 2.380 508 V HA -0.126 3.994 4.120 -0.000 0.000 0.251 508 V C 2.592 178.696 176.094 0.016 0.000 1.063 508 V CA 1.793 64.101 62.300 0.014 0.000 1.055 508 V CB -0.357 31.474 31.823 0.014 0.000 0.657 508 V HN 0.275 nan 8.190 nan 0.000 0.455 509 L N 1.098 122.328 121.223 0.012 0.000 2.013 509 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 509 L C 2.820 179.700 176.870 0.017 0.000 1.073 509 L CA 2.933 57.779 54.840 0.009 0.000 0.753 509 L CB -1.299 40.761 42.059 0.001 0.000 0.890 509 L HN 0.757 nan 8.230 nan 0.000 0.432 510 S N -1.022 114.688 115.700 0.017 0.000 2.414 510 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 510 S C 2.134 176.747 174.600 0.023 0.000 1.022 510 S CA 0.658 58.870 58.200 0.020 0.000 0.958 510 S CB -0.328 62.881 63.200 0.015 0.000 0.797 510 S HN 0.383 nan 8.310 nan 0.000 0.493 511 A N 2.905 125.737 122.820 0.020 0.000 1.841 511 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 511 A C 2.206 179.806 177.584 0.027 0.000 1.199 511 A CA 1.709 53.758 52.037 0.021 0.000 0.621 511 A CB -1.083 17.928 19.000 0.018 0.000 0.835 511 A HN 0.537 nan 8.150 nan 0.000 0.445 512 I N -0.175 120.414 120.570 0.032 0.000 2.151 512 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 512 I C 2.737 178.886 176.117 0.053 0.000 1.080 512 I CA 1.305 62.631 61.300 0.042 0.000 1.339 512 I CB -1.012 37.019 38.000 0.051 0.000 1.039 512 I HN 0.414 nan 8.210 nan 0.000 0.409 513 G N 0.580 109.414 108.800 0.058 0.000 2.476 513 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 513 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 513 G C 1.655 176.586 174.900 0.052 0.000 1.164 513 G CA 1.654 46.796 45.100 0.069 0.000 0.768 513 G HN 0.349 nan 8.290 nan 0.000 0.560 514 T N 1.735 116.312 114.554 0.037 0.000 2.737 514 T HA 0.044 4.394 4.350 -0.000 0.000 0.265 514 T C 2.806 177.522 174.700 0.026 0.000 1.038 514 T CA 1.495 63.612 62.100 0.029 0.000 1.144 514 T CB -0.450 68.431 68.868 0.022 0.000 0.866 514 T HN 0.384 nan 8.240 nan 0.000 0.434 515 A N 1.622 124.458 122.820 0.026 0.000 2.024 515 A HA 0.338 4.658 4.320 -0.000 0.000 0.220 515 A C 1.511 179.107 177.584 0.021 0.000 1.164 515 A CA 1.107 53.157 52.037 0.021 0.000 0.643 515 A CB -0.858 18.155 19.000 0.022 0.000 0.806 515 A HN 0.584 nan 8.150 nan 0.000 0.451 516 A N -1.122 121.716 122.820 0.029 0.000 2.351 516 A HA 0.494 4.814 4.320 -0.000 0.000 0.257 516 A C 1.370 178.964 177.584 0.017 0.000 1.087 516 A CA 0.091 52.143 52.037 0.024 0.000 0.798 516 A CB 0.102 19.126 19.000 0.040 0.000 1.033 516 A HN 0.791 nan 8.150 nan 0.000 0.488 517 G N 0.434 109.237 108.800 0.005 0.000 2.916 517 G HA2 0.206 4.166 3.960 -0.000 0.000 0.205 517 G HA3 0.206 4.166 3.960 -0.000 0.000 0.205 517 G C 0.722 175.626 174.900 0.006 0.000 1.163 517 G CA 1.052 46.153 45.100 0.002 0.000 0.821 517 G HN 0.712 nan 8.290 nan 0.000 0.515 518 L N -1.164 120.070 121.223 0.017 0.000 2.195 518 L HA 0.832 5.172 4.340 -0.000 0.000 0.210 518 L C 1.471 178.360 176.870 0.031 0.000 1.167 518 L CA 0.876 55.732 54.840 0.028 0.000 2.087 518 L CB -0.880 41.210 42.059 0.052 0.000 1.781 518 L HN 0.014 nan 8.230 nan 0.000 0.963 519 G N -1.723 107.102 108.800 0.042 0.000 3.433 519 G HA2 0.509 4.469 3.960 -0.000 0.000 0.173 519 G HA3 0.509 4.469 3.960 -0.000 0.000 0.173 519 G C 0.050 174.972 174.900 0.038 0.000 1.196 519 G CA -0.197 44.924 45.100 0.036 0.000 1.062 519 G HN 0.743 nan 8.290 nan 0.000 0.699 520 G N 1.053 109.875 108.800 0.037 0.000 2.527 520 G HA2 0.466 4.426 3.960 -0.000 0.000 0.279 520 G HA3 0.466 4.426 3.960 -0.000 0.000 0.279 520 G C -1.775 173.149 174.900 0.041 0.000 1.374 520 G CA -0.105 45.015 45.100 0.033 0.000 1.053 520 G HN 0.524 nan 8.290 nan 0.000 0.539 521 P HA 0.062 nan 4.420 nan 0.000 0.270 521 P C 0.265 177.590 177.300 0.041 0.000 1.227 521 P CA -0.165 62.955 63.100 0.034 0.000 0.788 521 P CB 0.593 32.305 31.700 0.021 0.000 0.926 522 L N 1.463 122.708 121.223 0.037 0.000 2.479 522 L HA 0.117 4.457 4.340 -0.000 0.000 0.270 522 L C -1.810 175.030 176.870 -0.049 0.000 1.236 522 L CA -1.572 53.279 54.840 0.018 0.000 0.823 522 L CB -0.889 41.164 42.059 -0.010 0.000 1.098 522 L HN 0.272 nan 8.230 nan 0.000 0.500 523 P HA -0.059 nan 4.420 nan 0.000 0.271 523 P C 0.607 177.818 177.300 -0.148 0.000 1.216 523 P CA -0.302 62.721 63.100 -0.127 0.000 0.776 523 P CB 0.540 32.132 31.700 -0.180 0.000 0.881 524 L N 3.691 124.858 121.223 -0.093 0.000 2.137 524 L HA -0.083 4.257 4.340 -0.000 0.000 0.213 524 L C -0.012 176.748 176.870 -0.183 0.000 1.085 524 L CA 2.249 57.030 54.840 -0.098 0.000 0.760 524 L CB -0.131 41.893 42.059 -0.058 0.000 0.893 524 L HN 0.068 nan 8.230 nan 0.000 0.434 525 V N 0.917 120.690 119.914 -0.235 0.000 2.483 525 V HA 0.306 4.426 4.120 -0.000 0.000 0.297 525 V C 0.092 176.026 176.094 -0.267 0.000 1.027 525 V CA -0.467 61.650 62.300 -0.304 0.000 0.855 525 V CB 1.738 33.257 31.823 -0.507 0.000 0.995 525 V HN 0.091 nan 8.190 nan 0.000 0.424 526 M N 4.465 123.901 119.600 -0.273 0.000 2.080 526 M HA 0.398 4.878 4.480 -0.000 0.000 0.350 526 M C -0.250 176.011 176.300 -0.065 0.000 1.173 526 M CA -0.549 54.529 55.300 -0.370 0.000 1.052 526 M CB 0.650 32.978 32.600 -0.453 0.000 1.577 526 M HN 0.645 nan 8.290 nan 0.000 0.455 527 H N 5.211 124.252 119.070 -0.048 0.000 3.086 527 H HA 0.182 4.738 4.556 -0.000 0.000 0.265 527 H C 0.076 175.489 175.328 0.142 0.000 1.092 527 H CA 0.530 56.625 56.048 0.078 0.000 1.487 527 H CB 0.596 30.434 29.762 0.126 0.000 1.514 527 H HN 0.764 nan 8.280 nan 0.000 0.497 528 M N 3.612 123.441 119.600 0.381 0.000 2.431 528 M HA 0.175 4.655 4.480 -0.000 0.000 0.237 528 M C 0.936 177.369 176.300 0.222 0.000 1.130 528 M CA 0.522 55.977 55.300 0.258 0.000 1.002 528 M CB 0.489 33.190 32.600 0.168 0.000 1.524 528 M HN 0.827 nan 8.290 nan 0.000 0.482 529 G N 0.400 109.404 108.800 0.340 0.000 2.396 529 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.254 529 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.254 529 G C -0.366 174.653 174.900 0.197 0.000 1.248 529 G CA -0.404 44.812 45.100 0.192 0.000 1.033 529 G HN 0.399 nan 8.290 nan 0.000 0.502 530 S N -1.112 114.686 115.700 0.162 0.000 2.633 530 S HA 0.357 4.827 4.470 -0.000 0.000 0.257 530 S C 1.803 176.489 174.600 0.144 0.000 1.265 530 S CA 0.515 58.811 58.200 0.160 0.000 0.980 530 S CB 0.535 63.852 63.200 0.194 0.000 1.017 530 S HN 1.461 nan 8.310 nan 0.000 0.577 531 C N 0.494 119.917 119.300 0.205 0.000 2.413 531 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 531 C C 2.957 178.026 174.990 0.133 0.000 1.228 531 C CA 0.886 60.044 59.018 0.233 0.000 1.731 531 C CB -1.966 26.052 27.740 0.463 0.000 2.042 531 C HN 0.811 nan 8.230 nan 0.000 0.468 532 V N 0.391 120.350 119.914 0.076 0.000 2.469 532 V HA -0.180 3.940 4.120 -0.000 0.000 0.251 532 V C 1.385 177.467 176.094 -0.020 0.000 1.064 532 V CA 2.468 64.709 62.300 -0.099 0.000 1.066 532 V CB -1.038 30.732 31.823 -0.089 0.000 0.667 532 V HN 0.378 nan 8.190 nan 0.000 0.461 533 D N 0.966 121.398 120.400 0.054 0.000 2.379 533 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 533 D C 1.647 177.997 176.300 0.084 0.000 1.088 533 D CA 0.459 54.495 54.000 0.060 0.000 0.925 533 D CB -0.648 40.206 40.800 0.090 0.000 0.888 533 D HN 0.502 nan 8.370 nan 0.000 0.529 534 N N -0.266 118.504 118.700 0.116 0.000 2.512 534 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 534 N C 1.506 177.122 175.510 0.176 0.000 1.073 534 N CA 0.346 53.513 53.050 0.195 0.000 0.911 534 N CB 0.216 38.903 38.487 0.333 0.000 0.964 534 N HN 0.193 nan 8.380 nan 0.000 0.447 535 S N 0.197 115.927 115.700 0.051 0.000 2.453 535 S HA 0.079 4.549 4.470 -0.000 0.000 0.231 535 S C 1.795 176.398 174.600 0.004 0.000 1.005 535 S CA 0.166 58.339 58.200 -0.046 0.000 0.949 535 S CB 0.068 63.185 63.200 -0.138 0.000 0.774 535 S HN 0.165 nan 8.310 nan 0.000 0.510 536 R N 1.721 122.243 120.500 0.036 0.000 2.105 536 R HA 0.064 4.404 4.340 -0.000 0.000 0.239 536 R C 2.547 178.882 176.300 0.059 0.000 1.135 536 R CA 1.427 57.556 56.100 0.049 0.000 0.967 536 R CB -1.058 29.284 30.300 0.069 0.000 0.861 536 R HN 0.598 nan 8.270 nan 0.000 0.442 537 A N 0.481 123.346 122.820 0.075 0.000 1.930 537 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 537 A C 2.412 180.034 177.584 0.065 0.000 1.176 537 A CA 0.947 53.028 52.037 0.074 0.000 0.632 537 A CB -0.336 18.718 19.000 0.090 0.000 0.819 537 A HN 0.088 nan 8.150 nan 0.000 0.445 538 V N 0.129 120.083 119.914 0.066 0.000 2.407 538 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 538 V C 2.999 179.101 176.094 0.013 0.000 1.055 538 V CA 1.838 64.159 62.300 0.035 0.000 1.049 538 V CB -1.311 30.487 31.823 -0.042 0.000 0.662 538 V HN 0.598 nan 8.190 nan 0.000 0.455 539 A N -0.257 122.572 122.820 0.014 0.000 1.845 539 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 539 A C 2.292 179.890 177.584 0.024 0.000 1.195 539 A CA 1.969 54.018 52.037 0.019 0.000 0.616 539 A CB -0.651 18.366 19.000 0.028 0.000 0.832 539 A HN 0.446 nan 8.150 nan 0.000 0.443 540 L N -0.740 120.502 121.223 0.031 0.000 2.042 540 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 540 L C 2.993 179.877 176.870 0.023 0.000 1.076 540 L CA 1.471 56.330 54.840 0.031 0.000 0.749 540 L CB -0.466 41.617 42.059 0.039 0.000 0.893 540 L HN 0.470 nan 8.230 nan 0.000 0.432 541 A N -0.257 122.577 122.820 0.023 0.000 1.865 541 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 541 A C 2.314 179.905 177.584 0.012 0.000 1.191 541 A CA 2.611 54.658 52.037 0.016 0.000 0.623 541 A CB -1.200 17.813 19.000 0.022 0.000 0.826 541 A HN 0.602 nan 8.150 nan 0.000 0.444 542 T N -1.896 112.665 114.554 0.011 0.000 2.833 542 T HA 0.058 4.408 4.350 -0.000 0.000 0.269 542 T C 1.911 176.615 174.700 0.006 0.000 1.054 542 T CA 1.711 63.814 62.100 0.006 0.000 1.135 542 T CB -0.606 68.263 68.868 0.002 0.000 0.869 542 T HN 0.601 nan 8.240 nan 0.000 0.466 543 A N 1.810 124.637 122.820 0.010 0.000 1.858 543 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 543 A C 2.403 179.992 177.584 0.008 0.000 1.190 543 A CA 1.468 53.511 52.037 0.010 0.000 0.617 543 A CB -1.071 17.938 19.000 0.015 0.000 0.827 543 A HN 0.536 nan 8.150 nan 0.000 0.443 544 L N -0.665 120.563 121.223 0.009 0.000 2.042 544 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 544 L C 2.791 179.664 176.870 0.004 0.000 1.076 544 L CA 1.676 56.520 54.840 0.007 0.000 0.749 544 L CB -0.434 41.629 42.059 0.007 0.000 0.893 544 L HN 0.412 nan 8.230 nan 0.000 0.432 545 A N 0.157 122.979 122.820 0.003 0.000 1.908 545 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 545 A C 1.927 179.512 177.584 0.001 0.000 1.181 545 A CA 1.995 54.033 52.037 0.001 0.000 0.627 545 A CB -0.692 18.308 19.000 0.002 0.000 0.818 545 A HN 0.603 nan 8.150 nan 0.000 0.445 546 N N -0.268 118.432 118.700 0.001 0.000 2.188 546 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 546 N C 1.656 177.166 175.510 0.001 0.000 1.018 546 N CA 1.557 54.607 53.050 0.000 0.000 0.858 546 N CB -0.315 38.172 38.487 -0.000 0.000 0.989 546 N HN 0.456 nan 8.380 nan 0.000 0.426 547 K N 1.496 121.897 120.400 0.002 0.000 2.032 547 K HA 0.026 4.346 4.320 -0.000 0.000 0.209 547 K C 1.635 178.236 176.600 0.001 0.000 1.048 547 K CA 1.007 57.295 56.287 0.002 0.000 0.927 547 K CB -0.386 32.116 32.500 0.004 0.000 0.712 547 K HN 0.159 nan 8.250 nan 0.000 0.441 548 L N -0.349 120.874 121.223 0.001 0.000 2.599 548 L HA 0.161 4.501 4.340 -0.000 0.000 0.230 548 L C 0.932 177.801 176.870 -0.001 0.000 1.141 548 L CA 0.336 55.176 54.840 -0.000 0.000 0.877 548 L CB -0.616 41.442 42.059 -0.001 0.000 1.009 548 L HN 0.522 nan 8.230 nan 0.000 0.447 549 G N 0.966 109.766 108.800 -0.001 0.000 2.341 549 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.292 549 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.292 549 G C -0.097 174.803 174.900 -0.001 0.000 1.021 549 G CA 0.707 45.806 45.100 -0.001 0.000 0.905 549 G HN 0.257 nan 8.290 nan 0.000 0.508 550 V N -1.354 118.560 119.914 -0.001 0.000 3.145 550 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 550 V C -0.703 175.391 176.094 -0.000 0.000 1.238 550 V CA -0.451 61.849 62.300 -0.001 0.000 1.066 550 V CB 2.151 33.973 31.823 -0.001 0.000 1.144 550 V HN 0.271 nan 8.190 nan 0.000 0.465 551 D N -0.469 119.931 120.400 0.001 0.000 2.340 551 D HA 0.391 5.031 4.640 -0.000 0.000 0.243 551 D C 0.781 177.081 176.300 0.001 0.000 0.988 551 D CA -0.331 53.670 54.000 0.002 0.000 0.959 551 D CB 1.952 42.754 40.800 0.004 0.000 1.226 551 D HN 0.292 nan 8.370 nan 0.000 0.509 552 L N 1.119 122.343 121.223 0.003 0.000 2.127 552 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 552 L C 2.213 179.081 176.870 -0.003 0.000 1.089 552 L CA 1.534 56.374 54.840 0.001 0.000 0.757 552 L CB -0.831 41.232 42.059 0.007 0.000 0.899 552 L HN 0.424 nan 8.230 nan 0.000 0.434 553 S N -1.700 114.002 115.700 0.003 0.000 2.595 553 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 553 S C 1.059 175.665 174.600 0.010 0.000 0.974 553 S CA 0.980 59.185 58.200 0.008 0.000 0.942 553 S CB -0.397 62.813 63.200 0.017 0.000 0.766 553 S HN 0.497 nan 8.310 nan 0.000 0.536 554 D N 0.396 120.797 120.400 0.002 0.000 2.469 554 D HA 0.272 4.911 4.640 -0.000 0.000 0.240 554 D C 0.506 176.802 176.300 -0.008 0.000 1.087 554 D CA -0.059 53.941 54.000 0.000 0.000 0.876 554 D CB 0.219 41.019 40.800 -0.000 0.000 1.160 554 D HN 0.371 nan 8.370 nan 0.000 0.497 555 L N 2.925 124.142 121.223 -0.011 0.000 2.452 555 L HA 0.150 4.490 4.340 -0.000 0.000 0.267 555 L C -1.744 175.108 176.870 -0.029 0.000 1.188 555 L CA -1.239 53.590 54.840 -0.018 0.000 0.821 555 L CB 0.300 42.349 42.059 -0.016 0.000 1.102 555 L HN -0.220 nan 8.230 nan 0.000 0.470 556 P HA 0.092 nan 4.420 nan 0.000 0.220 556 P C -0.707 176.558 177.300 -0.059 0.000 1.778 556 P CA -0.158 62.908 63.100 -0.056 0.000 0.912 556 P CB 0.163 31.824 31.700 -0.066 0.000 1.861 557 L N 1.515 122.705 121.223 -0.055 0.000 2.282 557 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 557 L C -0.833 175.986 176.870 -0.086 0.000 1.033 557 L CA -0.602 54.201 54.840 -0.062 0.000 0.807 557 L CB 1.855 43.889 42.059 -0.042 0.000 1.209 557 L HN -0.109 nan 8.230 nan 0.000 0.423 558 V N 4.992 124.841 119.914 -0.108 0.000 2.841 558 V HA 0.927 5.046 4.120 -0.000 0.000 0.310 558 V C -0.652 175.346 176.094 -0.161 0.000 1.090 558 V CA -0.085 62.133 62.300 -0.137 0.000 0.930 558 V CB 1.991 33.739 31.823 -0.125 0.000 1.014 558 V HN 1.078 nan 8.190 nan 0.000 0.425 559 A N 3.984 126.708 122.820 -0.160 0.000 2.324 559 A HA 0.907 5.227 4.320 -0.000 0.000 0.330 559 A C -0.356 177.176 177.584 -0.087 0.000 1.165 559 A CA -0.188 51.758 52.037 -0.151 0.000 0.813 559 A CB 1.715 20.621 19.000 -0.156 0.000 1.197 559 A HN 1.341 nan 8.150 nan 0.000 0.484 560 S N 0.707 116.373 115.700 -0.056 0.000 2.619 560 S HA 0.640 5.110 4.470 -0.000 0.000 0.280 560 S C -0.720 174.051 174.600 0.284 0.000 1.150 560 S CA 0.204 58.513 58.200 0.182 0.000 0.978 560 S CB 1.312 64.651 63.200 0.231 0.000 1.041 560 S HN 1.939 nan 8.310 nan 0.000 0.485 561 A N 6.544 129.472 122.820 0.179 0.000 3.064 561 A HA 0.616 4.936 4.320 -0.000 0.000 0.339 561 A C -2.179 175.444 177.584 0.065 0.000 1.078 561 A CA -1.506 50.627 52.037 0.160 0.000 0.869 561 A CB 0.238 19.258 19.000 0.033 0.000 1.067 561 A HN 0.629 nan 8.150 nan 0.000 0.480 562 P HA -0.194 nan 4.420 nan 0.000 0.216 562 P C 0.499 177.691 177.300 -0.180 0.000 1.154 562 P CA 1.580 64.714 63.100 0.056 0.000 0.865 562 P CB 0.285 31.989 31.700 0.008 0.000 0.789 563 E N -1.612 118.423 120.200 -0.275 0.000 3.157 563 E HA 0.126 4.476 4.350 -0.000 0.000 0.203 563 E C -0.045 176.496 176.600 -0.099 0.000 0.982 563 E CA -0.423 55.826 56.400 -0.251 0.000 1.217 563 E CB -0.360 29.078 29.700 -0.436 0.000 1.123 563 E HN 0.283 nan 8.360 nan 0.000 0.457 564 C N -0.058 119.209 119.300 -0.054 0.000 2.702 564 C HA 0.269 4.729 4.460 -0.000 0.000 0.411 564 C C 1.278 176.219 174.990 -0.083 0.000 1.286 564 C CA -0.285 58.705 59.018 -0.046 0.000 1.979 564 C CB 0.615 28.324 27.740 -0.051 0.000 2.728 564 C HN 0.554 nan 8.230 nan 0.000 0.652 565 M N 1.938 121.478 119.600 -0.100 0.000 1.793 565 M HA 0.150 4.630 4.480 -0.000 0.000 0.222 565 M C 0.676 176.899 176.300 -0.129 0.000 1.202 565 M CA 0.654 55.884 55.300 -0.117 0.000 0.959 565 M CB -0.657 31.858 32.600 -0.142 0.000 1.726 565 M HN 0.944 nan 8.290 nan 0.000 0.618 566 S N 0.912 116.518 115.700 -0.157 0.000 2.632 566 S HA 0.275 4.745 4.470 -0.000 0.000 0.267 566 S C 0.684 175.208 174.600 -0.126 0.000 1.276 566 S CA -0.218 57.888 58.200 -0.157 0.000 0.998 566 S CB 1.089 64.172 63.200 -0.194 0.000 0.953 566 S HN 0.407 nan 8.310 nan 0.000 0.547 567 E N 0.610 120.733 120.200 -0.128 0.000 2.150 567 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 567 E C 1.891 178.421 176.600 -0.117 0.000 0.985 567 E CA 0.881 57.211 56.400 -0.116 0.000 0.814 567 E CB -0.103 29.529 29.700 -0.114 0.000 0.752 567 E HN 0.604 nan 8.360 nan 0.000 0.466 568 K N 0.574 120.876 120.400 -0.163 0.000 2.026 568 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 568 K C 2.245 178.802 176.600 -0.072 0.000 1.048 568 K CA 1.115 57.280 56.287 -0.203 0.000 0.929 568 K CB -0.161 32.100 32.500 -0.398 0.000 0.713 568 K HN 0.046 nan 8.250 nan 0.000 0.439 569 A N 1.287 124.064 122.820 -0.071 0.000 1.908 569 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 569 A C 2.056 179.599 177.584 -0.067 0.000 1.181 569 A CA 1.276 53.284 52.037 -0.048 0.000 0.627 569 A CB -0.542 18.424 19.000 -0.056 0.000 0.818 569 A HN 0.198 nan 8.150 nan 0.000 0.445 570 L N -0.613 120.568 121.223 -0.071 0.000 2.131 570 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 570 L C 2.719 179.569 176.870 -0.034 0.000 1.092 570 L CA 1.762 56.564 54.840 -0.063 0.000 0.759 570 L CB -0.682 41.327 42.059 -0.083 0.000 0.903 570 L HN 0.392 nan 8.230 nan 0.000 0.435 571 A N -0.535 122.268 122.820 -0.028 0.000 1.854 571 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 571 A C 2.244 179.738 177.584 -0.150 0.000 1.192 571 A CA 1.614 53.665 52.037 0.023 0.000 0.611 571 A CB -0.703 18.366 19.000 0.116 0.000 0.832 571 A HN 0.357 nan 8.150 nan 0.000 0.442 572 I N 0.012 120.433 120.570 -0.248 0.000 2.113 572 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 572 I C 2.702 178.209 176.117 -1.017 0.000 1.064 572 I CA 1.452 62.238 61.300 -0.856 0.000 1.320 572 I CB -0.757 37.015 38.000 -0.380 0.000 1.028 572 I HN 0.427 nan 8.210 nan 0.000 0.406 573 G N -0.249 108.303 108.800 -0.414 0.000 2.440 573 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 573 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 573 G C 1.751 176.547 174.900 -0.173 0.000 1.154 573 G CA 1.051 46.023 45.100 -0.214 0.000 0.767 573 G HN 0.381 nan 8.290 nan 0.000 0.552 574 S N 0.209 115.911 115.700 0.003 0.000 2.368 574 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 574 S C 1.985 176.608 174.600 0.038 0.000 1.030 574 S CA 1.464 59.735 58.200 0.119 0.000 0.999 574 S CB -0.422 62.891 63.200 0.188 0.000 0.844 574 S HN 0.850 nan 8.310 nan 0.000 0.459 575 W N 1.603 122.914 121.300 0.019 0.000 2.518 575 W HA 0.257 4.917 4.660 -0.000 0.000 0.273 575 W C 2.057 178.542 176.519 -0.056 0.000 1.247 575 W CA 0.428 57.764 57.345 -0.015 0.000 1.288 575 W CB -0.683 28.774 29.460 -0.004 0.000 1.107 575 W HN 0.256 nan 8.180 nan 0.000 0.586 576 A N 1.923 124.666 122.820 -0.128 0.000 1.908 576 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 576 A C 2.225 179.749 177.584 -0.100 0.000 1.181 576 A CA 2.493 54.460 52.037 -0.117 0.000 0.627 576 A CB -1.045 17.699 19.000 -0.428 0.000 0.818 576 A HN 0.155 nan 8.150 nan 0.000 0.445 577 V N -0.405 119.359 119.914 -0.251 0.000 2.427 577 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 577 V C 2.644 178.676 176.094 -0.104 0.000 1.051 577 V CA 2.337 64.454 62.300 -0.305 0.000 1.048 577 V CB -0.948 30.516 31.823 -0.599 0.000 0.666 577 V HN 0.618 nan 8.190 nan 0.000 0.456 578 T N -0.273 114.281 114.554 0.000 0.000 2.985 578 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 578 T C 1.820 176.556 174.700 0.060 0.000 1.076 578 T CA 0.945 63.075 62.100 0.050 0.000 1.135 578 T CB -0.112 68.814 68.868 0.095 0.000 0.890 578 T HN 0.304 nan 8.240 nan 0.000 0.480 579 I N 0.471 121.102 120.570 0.101 0.000 2.394 579 I HA -0.034 4.136 4.170 -0.000 0.000 0.251 579 I C 2.099 178.239 176.117 0.038 0.000 1.136 579 I CA 1.301 62.652 61.300 0.084 0.000 1.425 579 I CB -0.062 38.031 38.000 0.155 0.000 1.079 579 I HN 0.528 nan 8.210 nan 0.000 0.425 580 G N -0.100 108.707 108.800 0.012 0.000 2.425 580 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.177 580 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.177 580 G C 0.233 175.103 174.900 -0.050 0.000 0.999 580 G CA -0.608 44.487 45.100 -0.008 0.000 0.723 580 G HN 0.115 nan 8.290 nan 0.000 0.491 581 L N 1.305 122.479 121.223 -0.082 0.000 2.397 581 L HA 0.417 4.757 4.340 -0.000 0.000 0.271 581 L C -2.307 174.383 176.870 -0.299 0.000 1.148 581 L CA -1.797 52.954 54.840 -0.149 0.000 0.825 581 L CB 0.760 42.745 42.059 -0.123 0.000 1.117 581 L HN -0.126 nan 8.230 nan 0.000 0.456 582 P HA 0.153 nan 4.420 nan 0.000 0.281 582 P C -0.918 176.098 177.300 -0.474 0.000 1.286 582 P CA -0.072 62.579 63.100 -0.750 0.000 0.772 582 P CB 0.949 32.215 31.700 -0.723 0.000 0.862 583 T N 3.446 117.713 114.554 -0.478 0.000 2.794 583 T HA 0.249 4.599 4.350 -0.000 0.000 0.280 583 T C -0.514 174.170 174.700 -0.026 0.000 0.987 583 T CA -0.364 61.578 62.100 -0.264 0.000 0.993 583 T CB 0.417 69.053 68.868 -0.387 0.000 0.939 583 T HN 0.411 nan 8.240 nan 0.000 0.449 584 H N 2.700 121.755 119.070 -0.024 0.000 2.459 584 H HA 0.591 5.147 4.556 -0.000 0.000 0.332 584 H C -0.975 174.422 175.328 0.114 0.000 1.094 584 H CA -0.794 55.295 56.048 0.068 0.000 1.224 584 H CB 1.112 30.906 29.762 0.054 0.000 1.449 584 H HN 0.470 nan 8.280 nan 0.000 0.484 585 V N 2.471 122.130 119.914 -0.426 0.000 2.487 585 V HA 0.504 4.624 4.120 -0.000 0.000 0.298 585 V C 0.742 176.516 176.094 -0.533 0.000 1.028 585 V CA -0.378 61.678 62.300 -0.407 0.000 0.860 585 V CB 1.404 33.137 31.823 -0.150 0.000 0.991 585 V HN 0.879 nan 8.190 nan 0.000 0.427 586 G N 1.849 110.386 108.800 -0.438 0.000 3.707 586 G HA2 0.300 4.260 3.960 -0.000 0.000 0.286 586 G HA3 0.300 4.260 3.960 -0.000 0.000 0.286 586 G C 0.584 175.427 174.900 -0.094 0.000 1.112 586 G CA 0.534 45.533 45.100 -0.167 0.000 0.861 586 G HN 0.705 nan 8.290 nan 0.000 0.534 587 S N -0.686 114.949 115.700 -0.109 0.000 2.593 587 S HA 0.224 4.694 4.470 -0.000 0.000 0.235 587 S C 0.397 174.958 174.600 -0.065 0.000 1.059 587 S CA 0.190 58.341 58.200 -0.081 0.000 0.953 587 S CB 0.910 64.055 63.200 -0.091 0.000 0.897 587 S HN 0.493 nan 8.310 nan 0.000 0.507 588 V N 2.204 122.071 119.914 -0.079 0.000 3.765 588 V HA -0.108 4.012 4.120 -0.000 0.000 0.447 588 V C -2.841 173.208 176.094 -0.075 0.000 0.680 588 V CA -0.678 61.581 62.300 -0.068 0.000 1.894 588 V CB -1.956 29.846 31.823 -0.034 0.000 2.321 588 V HN 0.243 nan 8.190 nan 0.000 0.492 589 P HA 0.346 nan 4.420 nan 0.000 0.274 589 P C -2.311 174.957 177.300 -0.054 0.000 1.246 589 P CA -1.448 61.595 63.100 -0.095 0.000 0.795 589 P CB 0.323 31.920 31.700 -0.171 0.000 1.006 590 P HA -0.032 nan 4.420 nan 0.000 0.232 590 P C 0.087 177.387 177.300 -0.000 0.000 1.606 590 P CA 0.754 63.859 63.100 0.009 0.000 1.105 590 P CB -0.422 31.316 31.700 0.063 0.000 1.919 591 V N 1.335 121.233 119.914 -0.027 0.000 3.090 591 V HA -0.062 4.058 4.120 -0.000 0.000 0.237 591 V C 2.277 178.360 176.094 -0.018 0.000 1.209 591 V CA 0.346 62.630 62.300 -0.028 0.000 1.209 591 V CB -0.762 31.024 31.823 -0.060 0.000 0.971 591 V HN 0.272 nan 8.190 nan 0.000 0.477 592 I N 0.966 121.524 120.570 -0.020 0.000 2.290 592 I HA -0.195 3.975 4.170 -0.000 0.000 0.253 592 I C 2.160 178.269 176.117 -0.013 0.000 1.112 592 I CA 2.149 63.443 61.300 -0.011 0.000 1.377 592 I CB -1.240 36.754 38.000 -0.009 0.000 1.060 592 I HN 0.325 nan 8.210 nan 0.000 0.428 593 G N 0.363 109.150 108.800 -0.023 0.000 2.535 593 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 593 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 593 G C 0.699 175.587 174.900 -0.020 0.000 1.122 593 G CA 0.770 45.850 45.100 -0.033 0.000 0.769 593 G HN 0.480 nan 8.290 nan 0.000 0.549 594 S N -1.085 114.612 115.700 -0.006 0.000 2.647 594 S HA 0.395 4.865 4.470 -0.000 0.000 0.300 594 S C 0.806 175.413 174.600 0.012 0.000 1.129 594 S CA -0.604 57.599 58.200 0.005 0.000 1.029 594 S CB 1.603 64.811 63.200 0.013 0.000 1.007 594 S HN 0.314 nan 8.310 nan 0.000 0.484 595 Q N 3.088 122.898 119.800 0.016 0.000 2.137 595 Q HA -0.002 4.338 4.340 -0.000 0.000 0.198 595 Q C 1.306 177.322 176.000 0.027 0.000 0.960 595 Q CA 1.181 56.997 55.803 0.021 0.000 0.847 595 Q CB -0.174 28.577 28.738 0.021 0.000 0.915 595 Q HN 0.779 nan 8.270 nan 0.000 0.448 596 I N 0.067 120.653 120.570 0.028 0.000 2.163 596 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 596 I C 2.191 178.330 176.117 0.038 0.000 1.085 596 I CA 1.173 62.493 61.300 0.033 0.000 1.347 596 I CB -0.650 37.370 38.000 0.034 0.000 1.044 596 I HN -0.009 nan 8.210 nan 0.000 0.408 597 V N -0.124 119.811 119.914 0.035 0.000 2.261 597 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 597 V C 2.457 178.576 176.094 0.042 0.000 1.047 597 V CA 2.455 64.778 62.300 0.038 0.000 1.015 597 V CB -1.256 30.584 31.823 0.028 0.000 0.642 597 V HN 0.451 nan 8.190 nan 0.000 0.446 598 T N -0.296 114.277 114.554 0.031 0.000 2.737 598 T HA -0.304 4.046 4.350 -0.000 0.000 0.269 598 T C 1.907 176.643 174.700 0.059 0.000 1.040 598 T CA 2.113 64.235 62.100 0.036 0.000 1.142 598 T CB -0.232 68.653 68.868 0.027 0.000 0.861 598 T HN 0.500 nan 8.240 nan 0.000 0.456 599 K N 0.739 121.170 120.400 0.052 0.000 1.984 599 K HA -0.008 4.312 4.320 -0.000 0.000 0.209 599 K C 2.316 178.958 176.600 0.070 0.000 1.046 599 K CA 1.048 57.367 56.287 0.053 0.000 0.934 599 K CB -0.375 32.149 32.500 0.039 0.000 0.717 599 K HN 0.255 nan 8.250 nan 0.000 0.438 600 L N 1.198 122.462 121.223 0.070 0.000 2.021 600 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 600 L C 2.390 179.335 176.870 0.124 0.000 1.074 600 L CA 1.768 56.658 54.840 0.083 0.000 0.760 600 L CB -0.634 41.471 42.059 0.076 0.000 0.889 600 L HN 0.270 nan 8.230 nan 0.000 0.433 601 V N -4.498 115.512 119.914 0.160 0.000 3.573 601 V HA 0.007 4.127 4.120 -0.000 0.000 0.270 601 V C 1.649 177.952 176.094 0.347 0.000 1.221 601 V CA 1.332 63.803 62.300 0.284 0.000 1.163 601 V CB -0.507 31.510 31.823 0.324 0.000 0.847 601 V HN 0.613 nan 8.190 nan 0.000 0.468 602 T N -4.504 110.190 114.554 0.233 0.000 3.058 602 T HA 0.395 4.744 4.350 -0.000 0.000 0.278 602 T C 0.965 175.734 174.700 0.116 0.000 0.974 602 T CA 0.519 62.767 62.100 0.246 0.000 0.893 602 T CB 0.471 69.465 68.868 0.210 0.000 1.138 602 T HN 0.536 nan 8.240 nan 0.000 0.529 603 E N 0.643 120.886 120.200 0.072 0.000 3.155 603 E HA 0.099 4.449 4.350 -0.000 0.000 0.208 603 E C 1.428 178.034 176.600 0.009 0.000 1.060 603 E CA 0.508 56.904 56.400 -0.006 0.000 1.522 603 E CB 0.151 29.848 29.700 -0.005 0.000 1.433 603 E HN 0.215 nan 8.360 nan 0.000 0.709 604 T N 1.450 116.028 114.554 0.040 0.000 2.962 604 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 604 T C 1.862 176.595 174.700 0.054 0.000 1.088 604 T CA 1.101 63.225 62.100 0.040 0.000 1.127 604 T CB -0.092 68.805 68.868 0.048 0.000 0.883 604 T HN 0.184 nan 8.240 nan 0.000 0.493 605 A N 1.727 124.596 122.820 0.083 0.000 2.014 605 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 605 A C 2.246 179.888 177.584 0.095 0.000 1.163 605 A CA 1.028 53.122 52.037 0.095 0.000 0.652 605 A CB -0.337 18.738 19.000 0.124 0.000 0.808 605 A HN 0.402 nan 8.150 nan 0.000 0.449 606 K N -0.057 120.395 120.400 0.085 0.000 2.113 606 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 606 K C 1.169 177.794 176.600 0.042 0.000 1.047 606 K CA 1.661 57.987 56.287 0.065 0.000 0.928 606 K CB -0.143 32.297 32.500 -0.101 0.000 0.716 606 K HN 0.547 nan 8.250 nan 0.000 0.446 607 D N 0.591 121.006 120.400 0.026 0.000 2.278 607 D HA -0.050 4.590 4.640 -0.000 0.000 0.228 607 D C 2.106 178.424 176.300 0.030 0.000 1.020 607 D CA 0.570 54.583 54.000 0.021 0.000 0.922 607 D CB -0.505 40.303 40.800 0.013 0.000 1.051 607 D HN 0.005 nan 8.370 nan 0.000 0.452 608 L N 0.571 121.814 121.223 0.034 0.000 2.058 608 L HA -0.217 4.123 4.340 -0.000 0.000 0.226 608 L C 2.243 179.134 176.870 0.036 0.000 1.089 608 L CA 1.386 56.247 54.840 0.036 0.000 0.799 608 L CB -0.250 41.834 42.059 0.043 0.000 0.900 608 L HN 0.003 nan 8.230 nan 0.000 0.442 609 V N -1.767 118.172 119.914 0.042 0.000 3.398 609 V HA 0.324 4.444 4.120 -0.000 0.000 0.298 609 V C 1.205 177.323 176.094 0.040 0.000 1.496 609 V CA 0.786 63.109 62.300 0.038 0.000 1.044 609 V CB 0.664 32.508 31.823 0.037 0.000 0.880 609 V HN 0.681 nan 8.190 nan 0.000 0.443 610 G N 0.405 109.239 108.800 0.056 0.000 2.396 610 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.242 610 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.242 610 G C 0.797 175.767 174.900 0.117 0.000 1.069 610 G CA 0.352 45.496 45.100 0.073 0.000 0.633 610 G HN 1.306 nan 8.290 nan 0.000 0.517 611 G N -0.593 108.242 108.800 0.059 0.000 2.522 611 G HA2 0.834 4.794 3.960 -0.000 0.000 0.304 611 G HA3 0.834 4.794 3.960 -0.000 0.000 0.304 611 G C -0.546 174.400 174.900 0.077 0.000 1.210 611 G CA -0.071 45.015 45.100 -0.024 0.000 0.960 611 G HN 1.721 nan 8.290 nan 0.000 0.497 612 Y N -3.115 117.089 120.300 -0.160 0.000 2.662 612 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 612 Y C -1.535 174.259 175.900 -0.177 0.000 1.185 612 Y CA -2.081 55.944 58.100 -0.125 0.000 1.074 612 Y CB 0.658 39.108 38.460 -0.017 0.000 1.330 612 Y HN 0.440 nan 8.280 nan 0.000 0.458 613 F N 2.358 122.391 119.950 0.138 0.000 2.375 613 F HA 0.625 5.152 4.527 -0.000 0.000 0.333 613 F C 0.149 176.044 175.800 0.159 0.000 1.104 613 F CA -0.551 57.484 58.000 0.059 0.000 1.149 613 F CB 1.221 40.247 39.000 0.043 0.000 1.190 613 F HN 0.384 nan 8.300 nan 0.000 0.533 614 I N 3.909 124.681 120.570 0.336 0.000 2.537 614 I HA 0.191 4.361 4.170 -0.000 0.000 0.276 614 I C -1.149 175.140 176.117 0.287 0.000 1.063 614 I CA -0.591 60.891 61.300 0.302 0.000 1.144 614 I CB 1.003 39.162 38.000 0.265 0.000 1.252 614 I HN 0.160 nan 8.210 nan 0.000 0.480 615 V N 4.254 124.291 119.914 0.206 0.000 2.455 615 V HA 0.334 4.454 4.120 -0.000 0.000 0.273 615 V C -0.052 176.135 176.094 0.155 0.000 1.045 615 V CA 0.035 62.411 62.300 0.127 0.000 0.976 615 V CB 0.847 32.702 31.823 0.053 0.000 0.993 615 V HN 0.625 nan 8.190 nan 0.000 0.475 616 D N 3.126 123.642 120.400 0.193 0.000 2.688 616 D HA 0.111 4.751 4.640 -0.000 0.000 0.210 616 D C 0.632 177.049 176.300 0.196 0.000 1.333 616 D CA -0.132 53.978 54.000 0.183 0.000 0.920 616 D CB 2.358 43.271 40.800 0.189 0.000 1.554 616 D HN 0.606 nan 8.370 nan 0.000 0.579 617 T N 0.012 114.630 114.554 0.106 0.000 3.169 617 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 617 T C 0.427 175.169 174.700 0.070 0.000 1.111 617 T CA -0.214 61.933 62.100 0.078 0.000 1.010 617 T CB 0.110 69.000 68.868 0.038 0.000 0.984 617 T HN 0.200 nan 8.240 nan 0.000 0.537 618 D N 1.480 121.926 120.400 0.077 0.000 2.460 618 D HA 0.371 5.011 4.640 -0.000 0.000 0.232 618 D C -1.823 174.506 176.300 0.048 0.000 1.079 618 D CA -2.690 51.341 54.000 0.050 0.000 0.864 618 D CB 1.815 42.638 40.800 0.039 0.000 1.048 618 D HN -0.143 nan 8.370 nan 0.000 0.523 619 P HA -0.269 nan 4.420 nan 0.000 0.219 619 P C 1.205 178.513 177.300 0.014 0.000 1.161 619 P CA 1.521 64.643 63.100 0.037 0.000 0.909 619 P CB 0.252 31.969 31.700 0.030 0.000 0.793 620 K N -0.660 119.749 120.400 0.015 0.000 2.009 620 K HA -0.132 4.187 4.320 -0.000 0.000 0.210 620 K C 2.356 178.959 176.600 0.005 0.000 1.049 620 K CA 1.678 57.971 56.287 0.009 0.000 0.929 620 K CB -1.443 31.063 32.500 0.011 0.000 0.714 620 K HN 0.127 nan 8.250 nan 0.000 0.440 621 S N 0.655 116.362 115.700 0.011 0.000 2.370 621 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 621 S C 2.064 176.660 174.600 -0.006 0.000 1.033 621 S CA 1.443 59.652 58.200 0.014 0.000 1.011 621 S CB -0.201 63.016 63.200 0.028 0.000 0.852 621 S HN 0.366 nan 8.310 nan 0.000 0.457 622 A N 1.022 123.813 122.820 -0.048 0.000 1.865 622 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 622 A C 2.432 179.922 177.584 -0.156 0.000 1.191 622 A CA 1.995 53.915 52.037 -0.195 0.000 0.623 622 A CB -1.842 16.868 19.000 -0.483 0.000 0.826 622 A HN 0.656 nan 8.150 nan 0.000 0.444 623 G N -0.286 108.465 108.800 -0.081 0.000 2.469 623 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 623 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 623 G C 1.127 176.051 174.900 0.040 0.000 1.150 623 G CA 1.434 46.530 45.100 -0.007 0.000 0.763 623 G HN 0.481 nan 8.290 nan 0.000 0.561 624 D N 0.493 120.913 120.400 0.033 0.000 2.144 624 D HA -0.026 4.614 4.640 -0.000 0.000 0.200 624 D C 2.548 178.904 176.300 0.094 0.000 0.978 624 D CA 0.832 54.875 54.000 0.073 0.000 0.833 624 D CB -0.125 40.704 40.800 0.047 0.000 0.961 624 D HN 0.334 nan 8.370 nan 0.000 0.470 625 K N 0.128 120.562 120.400 0.056 0.000 2.103 625 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 625 K C 2.280 178.922 176.600 0.070 0.000 1.052 625 K CA 0.407 56.735 56.287 0.069 0.000 0.945 625 K CB -0.008 32.533 32.500 0.068 0.000 0.722 625 K HN 0.152 nan 8.250 nan 0.000 0.443 626 L N -0.181 121.065 121.223 0.038 0.000 1.976 626 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 626 L C 2.517 179.423 176.870 0.060 0.000 1.071 626 L CA 1.494 56.349 54.840 0.024 0.000 0.746 626 L CB -0.593 41.459 42.059 -0.011 0.000 0.890 626 L HN 0.143 nan 8.230 nan 0.000 0.432 627 Y N 0.500 120.790 120.300 -0.017 0.000 2.207 627 Y HA -0.321 4.229 4.550 0.000 0.000 0.287 627 Y C 2.461 178.365 175.900 0.005 0.000 1.156 627 Y CA 1.376 59.471 58.100 -0.008 0.000 1.182 627 Y CB -0.110 38.348 38.460 -0.002 0.000 0.979 627 Y HN 0.171 nan 8.280 nan 0.000 0.521 628 A N 0.151 123.021 122.820 0.082 0.000 1.902 628 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 628 A C 2.371 179.942 177.584 -0.022 0.000 1.181 628 A CA 1.778 53.831 52.037 0.026 0.000 0.623 628 A CB -1.380 17.663 19.000 0.072 0.000 0.818 628 A HN 0.571 nan 8.150 nan 0.000 0.443 629 A N -0.156 122.671 122.820 0.012 0.000 1.898 629 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 629 A C 2.108 179.665 177.584 -0.046 0.000 1.181 629 A CA 1.358 53.417 52.037 0.037 0.000 0.620 629 A CB -0.556 18.494 19.000 0.085 0.000 0.819 629 A HN 0.483 nan 8.150 nan 0.000 0.442 630 I N -0.930 119.566 120.570 -0.123 0.000 2.208 630 I HA -0.287 3.882 4.170 -0.000 0.000 0.245 630 I C 2.785 178.770 176.117 -0.221 0.000 1.097 630 I CA 1.690 62.881 61.300 -0.182 0.000 1.363 630 I CB -0.252 37.594 38.000 -0.257 0.000 1.051 630 I HN 0.327 nan 8.210 nan 0.000 0.413 631 Q N 0.574 120.189 119.800 -0.308 0.000 2.079 631 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 631 Q C 2.100 178.029 176.000 -0.118 0.000 0.974 631 Q CA 1.457 57.109 55.803 -0.251 0.000 0.840 631 Q CB -0.202 28.376 28.738 -0.266 0.000 0.898 631 Q HN 0.284 nan 8.270 nan 0.000 0.430 632 E N -0.113 120.040 120.200 -0.078 0.000 2.110 632 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 632 E C 1.754 178.338 176.600 -0.027 0.000 0.988 632 E CA 0.881 57.261 56.400 -0.033 0.000 0.804 632 E CB 0.107 29.807 29.700 -0.001 0.000 0.745 632 E HN 0.151 nan 8.360 nan 0.000 0.458 633 R N 0.497 120.978 120.500 -0.032 0.000 2.096 633 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 633 R C 2.319 178.599 176.300 -0.035 0.000 1.127 633 R CA 0.626 56.712 56.100 -0.024 0.000 0.968 633 R CB -0.568 29.713 30.300 -0.031 0.000 0.861 633 R HN 0.119 nan 8.270 nan 0.000 0.440 634 R N 0.504 120.970 120.500 -0.056 0.000 2.094 634 R HA -0.092 4.247 4.340 -0.000 0.000 0.239 634 R C 2.138 178.418 176.300 -0.033 0.000 1.137 634 R CA 1.665 57.734 56.100 -0.051 0.000 0.943 634 R CB -0.936 29.320 30.300 -0.074 0.000 0.850 634 R HN 0.242 nan 8.270 nan 0.000 0.433 635 A N 0.354 123.155 122.820 -0.032 0.000 1.927 635 A HA -0.159 4.160 4.320 -0.000 0.000 0.220 635 A C 2.239 179.814 177.584 -0.014 0.000 1.185 635 A CA 2.075 54.100 52.037 -0.020 0.000 0.639 635 A CB -1.207 17.782 19.000 -0.018 0.000 0.820 635 A HN 0.486 nan 8.150 nan 0.000 0.451 636 G N -1.484 107.308 108.800 -0.013 0.000 2.807 636 G HA2 0.302 4.261 3.960 -0.000 0.000 0.207 636 G HA3 0.302 4.261 3.960 -0.000 0.000 0.207 636 G C 0.426 175.321 174.900 -0.008 0.000 1.151 636 G CA 0.443 45.539 45.100 -0.008 0.000 0.800 636 G HN 0.403 nan 8.290 nan 0.000 0.523 637 L N 0.000 121.217 121.223 -0.011 0.000 2.949 637 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 637 L CA 0.000 54.834 54.840 -0.009 0.000 0.813 637 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 637 L HN 0.000 nan 8.230 nan 0.000 0.502