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_D 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 0.000 176.580 176.600 -0.033 0.000 1.382 28 E CA 0.000 56.499 56.400 0.165 0.000 0.976 28 E CB 0.000 29.784 29.700 0.139 0.000 0.812 29 T N 1.435 115.787 114.554 -0.337 0.000 2.852 29 T HA 0.608 4.958 4.350 -0.000 0.000 0.281 29 T C 1.281 175.912 174.700 -0.115 0.000 0.993 29 T CA 0.459 62.405 62.100 -0.257 0.000 0.933 29 T CB 1.085 69.759 68.868 -0.323 0.000 1.187 29 T HN 0.548 nan 8.240 nan 0.000 0.559 30 A N 0.262 122.987 122.820 -0.158 0.000 1.930 30 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 30 A C 2.284 179.784 177.584 -0.139 0.000 1.175 30 A CA 1.050 52.923 52.037 -0.274 0.000 0.627 30 A CB -0.741 17.880 19.000 -0.630 0.000 0.815 30 A HN 0.900 nan 8.150 nan 0.000 0.443 31 W N -0.182 121.119 121.300 0.001 0.000 2.363 31 W HA -0.131 4.528 4.660 -0.000 0.000 0.296 31 W C 2.270 178.967 176.519 0.297 0.000 1.212 31 W CA 1.299 58.731 57.345 0.145 0.000 1.260 31 W CB -0.976 28.551 29.460 0.113 0.000 1.131 31 W HN 0.659 nan 8.180 nan 0.000 0.530 32 H N -0.192 119.062 119.070 0.307 0.000 2.256 32 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 32 H C 2.447 177.850 175.328 0.125 0.000 1.071 32 H CA 1.167 57.323 56.048 0.179 0.000 1.280 32 H CB -0.299 29.542 29.762 0.131 0.000 1.370 32 H HN -0.059 nan 8.280 nan 0.000 0.490 33 R N 0.222 120.865 120.500 0.239 0.000 2.133 33 R HA -0.246 4.094 4.340 -0.000 0.000 0.247 33 R C 2.348 178.724 176.300 0.126 0.000 1.151 33 R CA 1.892 58.071 56.100 0.132 0.000 0.971 33 R CB -0.549 29.798 30.300 0.078 0.000 0.866 33 R HN 0.419 nan 8.270 nan 0.000 0.447 34 Y N 2.072 122.403 120.300 0.052 0.000 2.145 34 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 34 Y C 2.123 178.058 175.900 0.058 0.000 1.145 34 Y CA 1.516 59.638 58.100 0.036 0.000 1.148 34 Y CB -0.156 38.318 38.460 0.023 0.000 0.981 34 Y HN -0.041 nan 8.280 nan 0.000 0.507 35 E N 0.888 121.014 120.200 -0.123 0.000 2.058 35 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 35 E C 2.001 178.491 176.600 -0.183 0.000 0.997 35 E CA 1.799 58.068 56.400 -0.219 0.000 0.801 35 E CB -0.348 29.348 29.700 -0.007 0.000 0.746 35 E HN 0.596 nan 8.360 nan 0.000 0.450 36 K N 0.552 120.907 120.400 -0.075 0.000 2.280 36 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 36 K C 1.999 178.554 176.600 -0.075 0.000 1.047 36 K CA 0.673 56.928 56.287 -0.053 0.000 0.942 36 K CB 0.046 32.544 32.500 -0.005 0.000 0.739 36 K HN 0.047 nan 8.250 nan 0.000 0.457 37 Q N 0.539 120.269 119.800 -0.116 0.000 2.389 37 Q HA 0.013 4.352 4.340 -0.000 0.000 0.204 37 Q C 0.273 176.193 176.000 -0.133 0.000 0.944 37 Q CA 0.698 56.443 55.803 -0.097 0.000 0.908 37 Q CB 0.282 28.984 28.738 -0.061 0.000 1.002 37 Q HN 0.308 nan 8.270 nan 0.000 0.493 38 Q N 2.144 121.812 119.800 -0.220 0.000 2.311 38 Q HA 0.168 4.508 4.340 -0.000 0.000 0.272 38 Q C -1.884 174.057 176.000 -0.097 0.000 1.012 38 Q CA -1.004 54.686 55.803 -0.187 0.000 0.891 38 Q CB 0.266 28.855 28.738 -0.249 0.000 1.201 38 Q HN 0.160 nan 8.270 nan 0.000 0.391 39 P HA 0.186 nan 4.420 nan 0.000 0.293 39 P C -0.773 176.510 177.300 -0.028 0.000 1.300 39 P CA -0.446 62.626 63.100 -0.047 0.000 0.792 39 P CB 1.107 32.792 31.700 -0.025 0.000 0.925 40 Q N 1.027 120.815 119.800 -0.020 0.000 2.373 40 Q HA 0.157 4.497 4.340 -0.000 0.000 0.255 40 Q C 0.308 176.319 176.000 0.018 0.000 0.980 40 Q CA -0.418 55.389 55.803 0.006 0.000 0.882 40 Q CB 0.645 29.401 28.738 0.031 0.000 1.249 40 Q HN 0.558 nan 8.270 nan 0.000 0.438 41 C N 2.485 121.804 119.300 0.032 0.000 2.378 41 C HA -0.003 4.457 4.460 -0.000 0.000 0.395 41 C C 1.826 176.840 174.990 0.040 0.000 1.476 41 C CA 0.562 59.615 59.018 0.058 0.000 1.541 41 C CB -0.761 27.027 27.740 0.080 0.000 2.524 41 C HN 0.996 nan 8.230 nan 0.000 0.595 42 G N 3.566 112.373 108.800 0.011 0.000 2.408 42 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.215 42 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.215 42 G C 1.143 175.968 174.900 -0.125 0.000 1.156 42 G CA 0.518 45.564 45.100 -0.090 0.000 0.793 42 G HN 0.774 nan 8.290 nan 0.000 0.535 43 F N 1.714 121.637 119.950 -0.045 0.000 2.126 43 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 43 F C 2.899 178.649 175.800 -0.082 0.000 1.096 43 F CA 1.167 59.125 58.000 -0.070 0.000 1.255 43 F CB -0.475 38.481 39.000 -0.072 0.000 0.997 43 F HN 0.193 nan 8.300 nan 0.000 0.479 44 G N -0.772 108.099 108.800 0.118 0.000 2.453 44 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.215 44 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.215 44 G C 1.850 176.736 174.900 -0.023 0.000 1.201 44 G CA 1.121 46.225 45.100 0.007 0.000 0.784 44 G HN 0.327 nan 8.290 nan 0.000 0.545 45 S N 1.038 116.733 115.700 -0.008 0.000 2.392 45 S HA -0.148 4.322 4.470 -0.000 0.000 0.232 45 S C 2.585 177.167 174.600 -0.030 0.000 1.041 45 S CA 1.445 59.636 58.200 -0.015 0.000 1.026 45 S CB -0.350 62.843 63.200 -0.012 0.000 0.845 45 S HN 0.630 nan 8.310 nan 0.000 0.465 46 A N -0.011 122.784 122.820 -0.042 0.000 2.123 46 A HA 0.455 4.775 4.320 -0.000 0.000 0.214 46 A C 1.738 179.297 177.584 -0.040 0.000 1.152 46 A CA 1.002 53.008 52.037 -0.050 0.000 0.728 46 A CB -0.729 18.216 19.000 -0.091 0.000 0.814 46 A HN 1.019 nan 8.150 nan 0.000 0.464 47 G N -1.181 107.590 108.800 -0.050 0.000 2.136 47 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.242 47 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.242 47 G C 0.327 175.199 174.900 -0.047 0.000 0.989 47 G CA 0.359 45.413 45.100 -0.077 0.000 0.682 47 G HN 0.521 nan 8.290 nan 0.000 0.522 48 L N 0.231 121.457 121.223 0.006 0.000 2.928 48 L HA 0.472 4.812 4.340 -0.000 0.000 0.236 48 L C 0.944 177.858 176.870 0.074 0.000 1.290 48 L CA -0.280 54.597 54.840 0.062 0.000 1.099 48 L CB 0.239 42.373 42.059 0.125 0.000 1.437 48 L HN 0.406 nan 8.230 nan 0.000 0.493 49 C N -0.521 118.767 119.300 -0.020 0.000 2.888 49 C HA 0.736 5.196 4.460 -0.000 0.000 0.308 49 C C -0.817 174.117 174.990 -0.093 0.000 1.213 49 C CA -1.054 57.922 59.018 -0.070 0.000 1.461 49 C CB 1.385 29.084 27.740 -0.068 0.000 1.934 49 C HN 0.541 nan 8.230 nan 0.000 0.474 50 C N 5.733 124.986 119.300 -0.078 0.000 2.551 50 C HA 0.702 5.162 4.460 -0.000 0.000 0.332 50 C C 0.122 175.082 174.990 -0.049 0.000 1.139 50 C CA -0.422 58.564 59.018 -0.054 0.000 1.328 50 C CB 0.655 28.376 27.740 -0.032 0.000 1.903 50 C HN 1.058 nan 8.230 nan 0.000 0.459 51 R N 4.416 124.897 120.500 -0.032 0.000 2.700 51 R HA 0.285 4.625 4.340 -0.000 0.000 0.377 51 R C 1.055 177.339 176.300 -0.026 0.000 1.130 51 R CA -0.172 55.909 56.100 -0.032 0.000 1.055 51 R CB 0.243 30.528 30.300 -0.025 0.000 1.387 51 R HN 0.779 nan 8.270 nan 0.000 0.580 52 I N 0.623 121.175 120.570 -0.030 0.000 2.700 52 I HA -0.183 3.987 4.170 -0.000 0.000 0.261 52 I C 1.096 177.159 176.117 -0.091 0.000 1.219 52 I CA 0.758 62.029 61.300 -0.048 0.000 1.463 52 I CB -0.015 37.954 38.000 -0.050 0.000 1.092 52 I HN 0.354 nan 8.210 nan 0.000 0.452 53 C N -2.367 116.884 119.300 -0.082 0.000 3.291 53 C HA 0.361 4.821 4.460 -0.000 0.000 0.316 53 C C 1.183 176.139 174.990 -0.056 0.000 1.391 53 C CA -1.121 57.844 59.018 -0.089 0.000 1.394 53 C CB 0.975 28.641 27.740 -0.122 0.000 1.744 53 C HN 0.182 nan 8.230 nan 0.000 0.461 54 L N 0.726 121.922 121.223 -0.045 0.000 2.465 54 L HA 0.011 4.351 4.340 -0.000 0.000 0.224 54 L C 2.333 179.183 176.870 -0.034 0.000 1.145 54 L CA 0.983 55.803 54.840 -0.033 0.000 0.834 54 L CB -0.544 41.501 42.059 -0.023 0.000 0.944 54 L HN 0.805 nan 8.230 nan 0.000 0.451 55 K N 0.416 120.793 120.400 -0.038 0.000 2.504 55 K HA 0.006 4.326 4.320 -0.000 0.000 0.195 55 K C 1.248 177.825 176.600 -0.038 0.000 1.036 55 K CA 0.338 56.604 56.287 -0.034 0.000 0.984 55 K CB 0.043 32.523 32.500 -0.033 0.000 0.788 55 K HN 0.352 nan 8.250 nan 0.000 0.488 56 G N 2.029 110.803 108.800 -0.044 0.000 2.606 56 G HA2 0.231 4.191 3.960 -0.000 0.000 0.262 56 G HA3 0.231 4.191 3.960 -0.000 0.000 0.262 56 G C -2.479 172.389 174.900 -0.053 0.000 1.394 56 G CA -0.893 44.176 45.100 -0.051 0.000 1.044 56 G HN -0.037 nan 8.290 nan 0.000 0.553 57 P HA 0.306 nan 4.420 nan 0.000 0.282 57 P C -0.668 176.570 177.300 -0.103 0.000 1.262 57 P CA -0.227 62.825 63.100 -0.080 0.000 0.773 57 P CB 0.781 32.430 31.700 -0.086 0.000 0.879 58 C N 4.987 124.231 119.300 -0.093 0.000 2.388 58 C HA 0.531 4.990 4.460 -0.000 0.000 0.362 58 C C 1.071 175.978 174.990 -0.139 0.000 1.266 58 C CA -0.460 58.498 59.018 -0.099 0.000 2.028 58 C CB 0.006 27.713 27.740 -0.055 0.000 2.440 58 C HN 0.628 nan 8.230 nan 0.000 0.547 59 R N 2.571 122.952 120.500 -0.199 0.000 2.854 59 R HA 0.806 5.145 4.340 -0.000 0.000 0.271 59 R C -1.569 174.655 176.300 -0.126 0.000 0.994 59 R CA -0.710 55.235 56.100 -0.258 0.000 0.945 59 R CB 1.043 30.890 30.300 -0.755 0.000 1.194 59 R HN 0.400 nan 8.270 nan 0.000 0.476 60 I N 1.630 122.207 120.570 0.012 0.000 2.378 60 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 60 I C -0.665 175.505 176.117 0.088 0.000 0.992 60 I CA -0.828 60.483 61.300 0.017 0.000 1.154 60 I CB 1.378 39.369 38.000 -0.014 0.000 1.315 60 I HN 0.738 nan 8.210 nan 0.000 0.448 61 D N 9.675 130.078 120.400 0.005 0.000 2.365 61 D HA 0.241 4.881 4.640 -0.000 0.000 0.237 61 D C -1.275 174.868 176.300 -0.262 0.000 1.190 61 D CA -1.730 52.225 54.000 -0.075 0.000 0.867 61 D CB 1.408 42.192 40.800 -0.027 0.000 1.050 61 D HN 0.243 nan 8.370 nan 0.000 0.491 62 P HA -0.208 nan 4.420 nan 0.000 0.214 62 P C 0.806 177.891 177.300 -0.359 0.000 1.163 62 P CA 1.565 64.359 63.100 -0.510 0.000 0.889 62 P CB -0.001 31.240 31.700 -0.766 0.000 0.790 63 F N -1.222 118.711 119.950 -0.028 0.000 2.534 63 F HA 0.506 5.033 4.527 -0.000 0.000 0.274 63 F C 2.326 178.113 175.800 -0.020 0.000 0.917 63 F CA 0.173 58.157 58.000 -0.027 0.000 1.145 63 F CB -1.929 37.053 39.000 -0.030 0.000 1.145 63 F HN -0.201 nan 8.300 nan 0.000 0.746 64 G N 1.807 110.884 108.800 0.461 0.000 3.097 64 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.198 64 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.198 64 G C 0.349 175.309 174.900 0.100 0.000 1.199 64 G CA 0.661 45.905 45.100 0.240 0.000 0.985 64 G HN 0.718 nan 8.290 nan 0.000 0.518 65 E N -2.294 117.942 120.200 0.060 0.000 2.038 65 E HA -0.224 4.126 4.350 -0.000 0.000 0.181 65 E C 0.899 177.499 176.600 0.000 0.000 1.383 65 E CA 0.225 56.631 56.400 0.010 0.000 0.677 65 E CB -1.768 27.940 29.700 0.013 0.000 1.051 65 E HN 0.444 nan 8.360 nan 0.000 0.317 66 G N 1.710 110.505 108.800 -0.008 0.000 3.329 66 G HA2 0.407 4.367 3.960 -0.000 0.000 0.180 66 G HA3 0.407 4.367 3.960 -0.000 0.000 0.180 66 G C -2.136 172.740 174.900 -0.040 0.000 1.640 66 G CA -0.201 44.894 45.100 -0.007 0.000 1.018 66 G HN 0.348 nan 8.290 nan 0.000 0.581 67 P HA 0.410 nan 4.420 nan 0.000 0.282 67 P C -0.853 176.375 177.300 -0.121 0.000 1.262 67 P CA -0.109 62.952 63.100 -0.066 0.000 0.773 67 P CB 2.132 33.800 31.700 -0.053 0.000 0.879 68 K N 1.883 122.151 120.400 -0.221 0.000 2.360 68 K HA 0.238 4.558 4.320 -0.000 0.000 0.196 68 K C -0.049 176.234 176.600 -0.528 0.000 1.049 68 K CA 0.486 56.513 56.287 -0.434 0.000 1.049 68 K CB 0.182 32.282 32.500 -0.667 0.000 0.881 68 K HN 0.506 nan 8.250 nan 0.000 0.542 69 Y N -1.671 118.617 120.300 -0.020 0.000 2.669 69 Y HA 0.575 5.124 4.550 -0.000 0.000 0.335 69 Y C 0.730 176.613 175.900 -0.030 0.000 1.116 69 Y CA -1.833 56.254 58.100 -0.021 0.000 1.081 69 Y CB 1.608 40.058 38.460 -0.016 0.000 1.297 69 Y HN -0.130 nan 8.280 nan 0.000 0.484 70 G N -0.152 108.749 108.800 0.168 0.000 2.477 70 G HA2 0.378 4.338 3.960 -0.000 0.000 0.304 70 G HA3 0.378 4.338 3.960 -0.000 0.000 0.304 70 G C 0.466 175.393 174.900 0.044 0.000 1.175 70 G CA -0.605 44.531 45.100 0.060 0.000 0.907 70 G HN 0.525 nan 8.290 nan 0.000 0.509 71 V N 0.211 120.132 119.914 0.011 0.000 2.828 71 V HA -0.228 3.892 4.120 -0.000 0.000 0.260 71 V C 2.662 178.750 176.094 -0.011 0.000 1.101 71 V CA 1.970 64.271 62.300 0.001 0.000 1.123 71 V CB -1.022 30.794 31.823 -0.012 0.000 0.704 71 V HN 0.920 nan 8.190 nan 0.000 0.493 72 C N -1.511 117.778 119.300 -0.017 0.000 2.735 72 C HA 0.656 5.116 4.460 -0.000 0.000 0.271 72 C C 1.974 176.932 174.990 -0.054 0.000 1.281 72 C CA 0.139 59.138 59.018 -0.032 0.000 1.719 72 C CB -0.103 27.617 27.740 -0.033 0.000 2.024 72 C HN 0.727 nan 8.230 nan 0.000 0.566 73 G N 0.470 109.234 108.800 -0.060 0.000 2.211 73 G HA2 0.180 4.140 3.960 -0.000 0.000 0.201 73 G HA3 0.180 4.140 3.960 -0.000 0.000 0.201 73 G C 0.268 175.083 174.900 -0.142 0.000 0.997 73 G CA 0.088 45.089 45.100 -0.166 0.000 0.652 73 G HN 1.379 nan 8.290 nan 0.000 0.500 74 A N 1.404 124.209 122.820 -0.025 0.000 2.511 74 A HA 0.497 4.817 4.320 -0.000 0.000 0.242 74 A C 0.597 178.264 177.584 0.138 0.000 1.069 74 A CA 0.827 52.879 52.037 0.025 0.000 0.763 74 A CB 0.120 19.133 19.000 0.023 0.000 1.001 74 A HN 0.694 nan 8.150 nan 0.000 0.498 75 D N 2.181 122.678 120.400 0.161 0.000 2.326 75 D HA 0.192 4.832 4.640 -0.000 0.000 0.251 75 D C 1.235 177.604 176.300 0.114 0.000 1.023 75 D CA -0.654 53.498 54.000 0.252 0.000 0.966 75 D CB 0.640 41.617 40.800 0.297 0.000 1.156 75 D HN 0.649 nan 8.370 nan 0.000 0.494 76 R N 0.676 121.219 120.500 0.071 0.000 2.133 76 R HA -0.228 4.112 4.340 -0.000 0.000 0.247 76 R C 0.491 176.811 176.300 0.033 0.000 1.151 76 R CA 1.539 57.656 56.100 0.030 0.000 0.971 76 R CB -0.690 29.608 30.300 -0.003 0.000 0.866 76 R HN 0.396 nan 8.270 nan 0.000 0.447 77 D N 0.634 121.060 120.400 0.044 0.000 2.097 77 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 77 D C 1.854 178.179 176.300 0.042 0.000 0.984 77 D CA 1.950 55.974 54.000 0.040 0.000 0.826 77 D CB -0.477 40.349 40.800 0.043 0.000 0.973 77 D HN 0.292 nan 8.370 nan 0.000 0.460 78 T N 1.954 116.537 114.554 0.048 0.000 2.595 78 T HA -0.121 4.229 4.350 -0.000 0.000 0.264 78 T C 2.300 177.025 174.700 0.043 0.000 1.058 78 T CA 0.754 62.880 62.100 0.042 0.000 1.166 78 T CB -0.434 68.457 68.868 0.039 0.000 0.863 78 T HN 0.124 nan 8.240 nan 0.000 0.415 79 I N 0.931 121.526 120.570 0.041 0.000 2.113 79 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 79 I C 2.493 178.636 176.117 0.044 0.000 1.064 79 I CA 1.309 62.630 61.300 0.035 0.000 1.320 79 I CB -0.612 37.402 38.000 0.022 0.000 1.028 79 I HN 0.107 nan 8.210 nan 0.000 0.406 80 V N 0.825 120.761 119.914 0.036 0.000 2.515 80 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 80 V C 2.604 178.737 176.094 0.064 0.000 1.058 80 V CA 1.828 64.153 62.300 0.042 0.000 1.064 80 V CB -0.951 30.885 31.823 0.022 0.000 0.675 80 V HN 0.504 nan 8.190 nan 0.000 0.461 81 A N 0.577 123.429 122.820 0.053 0.000 1.854 81 A HA -0.187 4.133 4.320 -0.000 0.000 0.214 81 A C 2.347 179.964 177.584 0.055 0.000 1.192 81 A CA 1.670 53.737 52.037 0.049 0.000 0.611 81 A CB -0.455 18.571 19.000 0.044 0.000 0.832 81 A HN 0.495 nan 8.150 nan 0.000 0.442 82 R N -1.305 119.232 120.500 0.061 0.000 2.105 82 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 82 R C 2.219 178.557 176.300 0.063 0.000 1.135 82 R CA 1.757 57.891 56.100 0.057 0.000 0.967 82 R CB -0.670 29.664 30.300 0.056 0.000 0.861 82 R HN 0.800 nan 8.270 nan 0.000 0.442 83 H N 0.255 119.325 119.070 -0.000 0.000 2.357 83 H HA -0.012 4.544 4.556 -0.000 0.000 0.301 83 H C 1.820 177.140 175.328 -0.013 0.000 1.082 83 H CA 1.235 57.279 56.048 -0.007 0.000 1.342 83 H CB 0.032 29.788 29.762 -0.010 0.000 1.389 83 H HN 0.017 nan 8.280 nan 0.000 0.511 84 L N 0.052 121.277 121.223 0.003 0.000 2.046 84 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 84 L C 2.346 179.169 176.870 -0.079 0.000 1.077 84 L CA 1.209 56.015 54.840 -0.057 0.000 0.747 84 L CB -0.843 41.209 42.059 -0.013 0.000 0.896 84 L HN 0.297 nan 8.230 nan 0.000 0.432 85 V N -0.020 119.873 119.914 -0.035 0.000 2.261 85 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 85 V C 2.625 178.693 176.094 -0.044 0.000 1.047 85 V CA 1.697 63.987 62.300 -0.016 0.000 1.015 85 V CB -0.552 31.280 31.823 0.015 0.000 0.642 85 V HN 0.432 nan 8.190 nan 0.000 0.446 86 R N -0.882 119.575 120.500 -0.071 0.000 2.200 86 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 86 R C 2.262 178.484 176.300 -0.130 0.000 1.127 86 R CA 1.403 57.453 56.100 -0.084 0.000 0.989 86 R CB -0.304 29.949 30.300 -0.078 0.000 0.869 86 R HN 0.482 nan 8.270 nan 0.000 0.459 87 M N -0.205 119.275 119.600 -0.198 0.000 2.200 87 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 87 M C 2.060 178.297 176.300 -0.105 0.000 1.066 87 M CA 1.533 56.719 55.300 -0.190 0.000 1.127 87 M CB -0.051 32.405 32.600 -0.240 0.000 1.379 87 M HN 0.130 nan 8.290 nan 0.000 0.420 88 I N -0.018 120.511 120.570 -0.069 0.000 2.252 88 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 88 I C 2.691 178.804 176.117 -0.007 0.000 1.102 88 I CA 1.117 62.405 61.300 -0.019 0.000 1.385 88 I CB -0.606 37.404 38.000 0.017 0.000 1.064 88 I HN 0.225 nan 8.210 nan 0.000 0.414 89 A N 0.939 123.751 122.820 -0.013 0.000 1.908 89 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 89 A C 2.543 180.117 177.584 -0.018 0.000 1.181 89 A CA 2.027 54.062 52.037 -0.004 0.000 0.627 89 A CB -0.825 18.174 19.000 -0.002 0.000 0.818 89 A HN 0.446 nan 8.150 nan 0.000 0.445 90 A N -0.622 122.173 122.820 -0.042 0.000 1.933 90 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 90 A C 2.394 179.937 177.584 -0.069 0.000 1.175 90 A CA 1.856 53.860 52.037 -0.055 0.000 0.628 90 A CB -1.304 17.652 19.000 -0.072 0.000 0.814 90 A HN 0.738 nan 8.150 nan 0.000 0.444 91 G N -1.288 107.467 108.800 -0.074 0.000 2.408 91 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 91 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 91 G C 1.545 176.404 174.900 -0.068 0.000 1.150 91 G CA 1.587 46.621 45.100 -0.110 0.000 0.776 91 G HN 0.423 nan 8.290 nan 0.000 0.542 92 T N 1.646 116.208 114.554 0.013 0.000 2.737 92 T HA 0.018 4.368 4.350 -0.000 0.000 0.265 92 T C 2.843 177.565 174.700 0.037 0.000 1.038 92 T CA 1.492 63.629 62.100 0.062 0.000 1.144 92 T CB -0.405 68.490 68.868 0.045 0.000 0.866 92 T HN 0.350 nan 8.240 nan 0.000 0.434 93 A N 1.314 124.139 122.820 0.007 0.000 1.978 93 A HA 0.090 4.410 4.320 -0.000 0.000 0.220 93 A C 2.565 180.150 177.584 0.001 0.000 1.170 93 A CA 1.916 53.960 52.037 0.012 0.000 0.636 93 A CB -0.973 18.027 19.000 0.001 0.000 0.810 93 A HN 0.517 nan 8.150 nan 0.000 0.448 94 A N -0.979 121.808 122.820 -0.054 0.000 1.873 94 A HA -0.126 4.193 4.320 -0.000 0.000 0.215 94 A C 1.967 179.532 177.584 -0.032 0.000 1.186 94 A CA 1.637 53.611 52.037 -0.104 0.000 0.616 94 A CB -0.893 17.967 19.000 -0.233 0.000 0.823 94 A HN 0.723 nan 8.150 nan 0.000 0.442 95 H N -0.156 118.923 119.070 0.015 0.000 2.326 95 H HA -0.111 4.445 4.556 -0.000 0.000 0.301 95 H C 2.805 178.161 175.328 0.046 0.000 1.081 95 H CA 1.575 57.657 56.048 0.056 0.000 1.334 95 H CB 0.095 29.895 29.762 0.063 0.000 1.385 95 H HN 0.684 nan 8.280 nan 0.000 0.504 96 S N 0.799 116.599 115.700 0.167 0.000 2.365 96 S HA -0.255 4.215 4.470 -0.000 0.000 0.225 96 S C 2.085 176.782 174.600 0.162 0.000 1.039 96 S CA 1.757 60.057 58.200 0.166 0.000 1.033 96 S CB -0.197 63.088 63.200 0.143 0.000 0.887 96 S HN 0.366 nan 8.310 nan 0.000 0.447 97 E N 0.841 121.075 120.200 0.056 0.000 2.267 97 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 97 E C 1.795 178.205 176.600 -0.316 0.000 0.998 97 E CA 1.560 57.870 56.400 -0.149 0.000 0.830 97 E CB -0.601 29.025 29.700 -0.123 0.000 0.751 97 E HN 0.912 nan 8.360 nan 0.000 0.491 98 H N -1.782 117.192 119.070 -0.161 0.000 2.333 98 H HA -0.004 4.552 4.556 -0.000 0.000 0.302 98 H C 1.919 177.214 175.328 -0.055 0.000 1.075 98 H CA 0.994 56.997 56.048 -0.074 0.000 1.348 98 H CB -0.026 29.774 29.762 0.063 0.000 1.393 98 H HN 0.267 nan 8.280 nan 0.000 0.509 99 G N 0.840 109.615 108.800 -0.042 0.000 2.414 99 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 99 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 99 G C 1.780 176.626 174.900 -0.090 0.000 1.188 99 G CA 0.419 45.455 45.100 -0.106 0.000 0.783 99 G HN 0.312 nan 8.290 nan 0.000 0.537 100 R N 0.026 120.423 120.500 -0.173 0.000 2.140 100 R HA -0.210 4.130 4.340 -0.000 0.000 0.250 100 R C 2.218 178.383 176.300 -0.225 0.000 1.150 100 R CA 2.151 57.937 56.100 -0.523 0.000 0.966 100 R CB -0.696 29.214 30.300 -0.650 0.000 0.869 100 R HN 0.653 nan 8.270 nan 0.000 0.445 101 H N -0.501 118.491 119.070 -0.131 0.000 2.319 101 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 101 H C 2.235 177.491 175.328 -0.120 0.000 1.092 101 H CA 1.629 57.620 56.048 -0.096 0.000 1.302 101 H CB -0.048 29.718 29.762 0.007 0.000 1.373 101 H HN 0.250 nan 8.280 nan 0.000 0.497 102 I N 0.454 121.057 120.570 0.054 0.000 2.439 102 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 102 I C 2.757 178.823 176.117 -0.085 0.000 1.139 102 I CA 0.601 61.888 61.300 -0.021 0.000 1.438 102 I CB -0.232 37.772 38.000 0.007 0.000 1.085 102 I HN 0.278 nan 8.210 nan 0.000 0.427 103 A N 1.164 123.925 122.820 -0.099 0.000 1.933 103 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 103 A C 2.280 179.781 177.584 -0.138 0.000 1.175 103 A CA 1.291 53.272 52.037 -0.094 0.000 0.628 103 A CB -0.731 18.205 19.000 -0.107 0.000 0.814 103 A HN 0.389 nan 8.150 nan 0.000 0.444 104 L N -0.981 120.122 121.223 -0.200 0.000 2.291 104 L HA -0.125 4.215 4.340 -0.000 0.000 0.214 104 L C 2.963 179.585 176.870 -0.413 0.000 1.120 104 L CA 0.727 55.385 54.840 -0.303 0.000 0.799 104 L CB -0.436 41.435 42.059 -0.313 0.000 0.925 104 L HN 0.453 nan 8.230 nan 0.000 0.446 105 A N -0.243 122.404 122.820 -0.289 0.000 1.929 105 A HA -0.159 4.160 4.320 -0.000 0.000 0.216 105 A C 2.326 179.815 177.584 -0.158 0.000 1.176 105 A CA 1.110 52.986 52.037 -0.270 0.000 0.628 105 A CB -0.228 18.601 19.000 -0.284 0.000 0.816 105 A HN 0.205 nan 8.150 nan 0.000 0.444 106 M N -0.529 119.000 119.600 -0.118 0.000 2.067 106 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 106 M C 2.366 178.649 176.300 -0.028 0.000 1.069 106 M CA 2.036 57.302 55.300 -0.056 0.000 1.117 106 M CB -1.483 31.101 32.600 -0.027 0.000 1.334 106 M HN 0.714 nan 8.290 nan 0.000 0.407 107 Q N -0.074 119.699 119.800 -0.045 0.000 2.045 107 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 107 Q C 1.927 177.987 176.000 0.101 0.000 0.991 107 Q CA 2.011 57.818 55.803 0.006 0.000 0.851 107 Q CB -0.256 28.467 28.738 -0.025 0.000 0.911 107 Q HN 0.653 nan 8.270 nan 0.000 0.418 108 H N -0.435 118.612 119.070 -0.039 0.000 2.387 108 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 108 H C 2.216 177.517 175.328 -0.045 0.000 1.090 108 H CA 1.026 57.052 56.048 -0.036 0.000 1.332 108 H CB 0.089 29.807 29.762 -0.074 0.000 1.386 108 H HN 0.313 nan 8.280 nan 0.000 0.516 109 I N 0.679 121.296 120.570 0.078 0.000 2.179 109 I HA -0.236 3.933 4.170 -0.000 0.000 0.242 109 I C 2.353 178.488 176.117 0.031 0.000 1.088 109 I CA 1.370 62.689 61.300 0.031 0.000 1.357 109 I CB -0.256 37.750 38.000 0.009 0.000 1.051 109 I HN 0.260 nan 8.210 nan 0.000 0.409 110 S N -0.095 115.623 115.700 0.031 0.000 2.727 110 S HA -0.071 4.399 4.470 -0.000 0.000 0.226 110 S C 1.237 175.856 174.600 0.031 0.000 0.963 110 S CA 0.470 58.686 58.200 0.026 0.000 0.950 110 S CB -0.238 62.974 63.200 0.019 0.000 0.779 110 S HN 0.545 nan 8.310 nan 0.000 0.532 111 Q N -0.512 119.309 119.800 0.036 0.000 2.127 111 Q HA 0.343 4.683 4.340 -0.000 0.000 0.222 111 Q C 1.111 177.122 176.000 0.019 0.000 0.794 111 Q CA 0.165 55.985 55.803 0.028 0.000 1.010 111 Q CB 1.006 29.765 28.738 0.035 0.000 1.170 111 Q HN 0.659 nan 8.270 nan 0.000 0.479 112 G N 1.198 110.010 108.800 0.021 0.000 2.179 112 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 112 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 112 G C 0.141 175.016 174.900 -0.043 0.000 0.977 112 G CA 0.408 45.527 45.100 0.031 0.000 0.641 112 G HN 0.354 nan 8.290 nan 0.000 0.533 113 E N -0.737 119.407 120.200 -0.094 0.000 2.622 113 E HA 0.585 4.935 4.350 -0.000 0.000 0.255 113 E C 0.534 176.948 176.600 -0.311 0.000 1.313 113 E CA -0.811 55.460 56.400 -0.215 0.000 1.011 113 E CB 0.474 30.095 29.700 -0.131 0.000 1.173 113 E HN 0.464 nan 8.360 nan 0.000 0.601 114 L N 1.960 122.990 121.223 -0.323 0.000 3.339 114 L HA -0.211 4.129 4.340 -0.000 0.000 0.610 114 L C 0.567 177.311 176.870 -0.210 0.000 1.015 114 L CA 0.568 55.282 54.840 -0.211 0.000 1.223 114 L CB -1.029 41.014 42.059 -0.027 0.000 1.327 114 L HN 0.669 nan 8.230 nan 0.000 0.716 115 H N 0.517 119.613 119.070 0.043 0.000 2.465 115 H HA 0.085 4.641 4.556 -0.000 0.000 0.289 115 H C 1.204 176.511 175.328 -0.035 0.000 1.022 115 H CA 1.119 57.175 56.048 0.012 0.000 1.340 115 H CB 0.382 30.147 29.762 0.004 0.000 1.437 115 H HN 0.616 nan 8.280 nan 0.000 0.539 116 D N 0.476 120.862 120.400 -0.023 0.000 2.264 116 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 116 D C -0.003 176.111 176.300 -0.309 0.000 0.966 116 D CA 0.844 54.714 54.000 -0.217 0.000 0.864 116 D CB 0.085 40.639 40.800 -0.410 0.000 0.933 116 D HN 0.339 nan 8.370 nan 0.000 0.499 117 Y N 0.099 120.408 120.300 0.015 0.000 2.387 117 Y HA 0.331 4.881 4.550 -0.000 0.000 0.336 117 Y C 0.914 176.783 175.900 -0.053 0.000 1.067 117 Y CA -0.705 57.377 58.100 -0.030 0.000 1.114 117 Y CB 1.819 40.245 38.460 -0.055 0.000 1.208 117 Y HN -0.223 nan 8.280 nan 0.000 0.458 118 S N 1.187 116.929 115.700 0.069 0.000 2.819 118 S HA 0.571 5.041 4.470 -0.000 0.000 0.299 118 S C -1.444 173.137 174.600 -0.032 0.000 1.192 118 S CA -0.913 57.300 58.200 0.022 0.000 0.847 118 S CB 1.200 64.417 63.200 0.028 0.000 1.224 118 S HN 0.354 nan 8.310 nan 0.000 0.537 119 I N 2.572 123.134 120.570 -0.013 0.000 2.243 119 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 119 I C 1.598 177.711 176.117 -0.006 0.000 1.140 119 I CA -0.308 60.981 61.300 -0.018 0.000 1.289 119 I CB -0.313 37.696 38.000 0.016 0.000 1.498 119 I HN 0.690 nan 8.210 nan 0.000 0.561 120 R N 1.576 122.063 120.500 -0.023 0.000 2.193 120 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 120 R C 0.228 176.536 176.300 0.014 0.000 1.110 120 R CA 0.778 56.881 56.100 0.006 0.000 0.988 120 R CB 0.170 30.485 30.300 0.025 0.000 0.871 120 R HN 0.432 nan 8.270 nan 0.000 0.458 121 D N 0.897 121.306 120.400 0.014 0.000 2.441 121 D HA 0.070 4.710 4.640 -0.000 0.000 0.287 121 D C 0.250 176.577 176.300 0.045 0.000 1.198 121 D CA -0.108 53.907 54.000 0.025 0.000 0.894 121 D CB 0.586 41.404 40.800 0.030 0.000 1.070 121 D HN 0.070 nan 8.370 nan 0.000 0.499 122 E N 0.884 121.112 120.200 0.045 0.000 2.333 122 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 122 E C 1.701 178.368 176.600 0.111 0.000 1.007 122 E CA 0.567 57.024 56.400 0.094 0.000 0.845 122 E CB 0.315 30.049 29.700 0.056 0.000 0.766 122 E HN 0.458 nan 8.360 nan 0.000 0.507 123 A N 1.715 124.561 122.820 0.043 0.000 1.930 123 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 123 A C 2.104 179.747 177.584 0.098 0.000 1.175 123 A CA 1.524 53.583 52.037 0.038 0.000 0.627 123 A CB -0.176 18.826 19.000 0.004 0.000 0.815 123 A HN -0.009 nan 8.150 nan 0.000 0.443 124 K N -0.146 120.306 120.400 0.087 0.000 1.984 124 K HA -0.059 4.260 4.320 -0.000 0.000 0.209 124 K C 1.806 178.471 176.600 0.109 0.000 1.046 124 K CA 1.471 57.811 56.287 0.088 0.000 0.934 124 K CB -0.706 31.837 32.500 0.071 0.000 0.717 124 K HN 0.300 nan 8.250 nan 0.000 0.438 125 L N 0.155 121.446 121.223 0.113 0.000 2.137 125 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 125 L C 1.821 178.726 176.870 0.059 0.000 1.085 125 L CA 1.805 56.699 54.840 0.088 0.000 0.760 125 L CB -0.660 41.452 42.059 0.088 0.000 0.893 125 L HN 0.293 nan 8.230 nan 0.000 0.434 126 Y N -0.260 120.042 120.300 0.002 0.000 2.153 126 Y HA -0.065 4.484 4.550 -0.000 0.000 0.289 126 Y C 2.602 178.494 175.900 -0.013 0.000 1.127 126 Y CA 1.694 59.789 58.100 -0.007 0.000 1.131 126 Y CB -0.870 37.586 38.460 -0.006 0.000 0.995 126 Y HN 0.280 nan 8.280 nan 0.000 0.505 127 A N -0.268 122.633 122.820 0.136 0.000 2.015 127 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 127 A C 2.239 179.833 177.584 0.017 0.000 1.163 127 A CA 1.363 53.440 52.037 0.067 0.000 0.646 127 A CB -0.969 18.071 19.000 0.068 0.000 0.806 127 A HN 0.490 nan 8.150 nan 0.000 0.448 128 I N -0.413 120.170 120.570 0.022 0.000 2.090 128 I HA -0.291 3.879 4.170 -0.000 0.000 0.236 128 I C 3.050 179.099 176.117 -0.113 0.000 1.064 128 I CA 1.068 62.362 61.300 -0.010 0.000 1.324 128 I CB -0.599 37.437 38.000 0.060 0.000 1.044 128 I HN 0.369 nan 8.210 nan 0.000 0.399 129 A N 0.900 123.647 122.820 -0.122 0.000 1.909 129 A HA -0.385 3.934 4.320 -0.000 0.000 0.221 129 A C 2.330 179.818 177.584 -0.160 0.000 1.223 129 A CA 2.755 54.686 52.037 -0.177 0.000 0.658 129 A CB -0.919 17.938 19.000 -0.240 0.000 0.831 129 A HN 0.457 nan 8.150 nan 0.000 0.462 130 K N -1.011 119.321 120.400 -0.113 0.000 1.978 130 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 130 K C 2.175 178.717 176.600 -0.097 0.000 1.049 130 K CA 2.457 58.695 56.287 -0.082 0.000 0.939 130 K CB -0.539 31.942 32.500 -0.031 0.000 0.721 130 K HN 0.644 nan 8.250 nan 0.000 0.441 131 T N 0.168 114.665 114.554 -0.096 0.000 2.881 131 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 131 T C 1.748 176.338 174.700 -0.183 0.000 1.068 131 T CA 0.723 62.756 62.100 -0.112 0.000 1.131 131 T CB -0.121 68.696 68.868 -0.084 0.000 0.871 131 T HN 0.164 nan 8.240 nan 0.000 0.479 132 L N 1.092 122.163 121.223 -0.254 0.000 2.599 132 L HA 0.265 4.605 4.340 -0.000 0.000 0.230 132 L C 1.781 178.503 176.870 -0.246 0.000 1.141 132 L CA 1.361 55.986 54.840 -0.357 0.000 0.877 132 L CB -1.297 40.474 42.059 -0.481 0.000 1.009 132 L HN 0.705 nan 8.230 nan 0.000 0.447 133 G N 0.118 108.813 108.800 -0.175 0.000 2.143 133 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.249 133 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.249 133 G C 0.225 175.052 174.900 -0.121 0.000 0.981 133 G CA 0.343 45.365 45.100 -0.131 0.000 0.665 133 G HN 0.182 nan 8.290 nan 0.000 0.528 134 V N 0.974 120.804 119.914 -0.140 0.000 2.546 134 V HA 0.674 4.794 4.120 -0.000 0.000 0.284 134 V C 1.032 177.055 176.094 -0.119 0.000 1.050 134 V CA -0.113 62.109 62.300 -0.131 0.000 0.981 134 V CB 1.454 33.185 31.823 -0.155 0.000 0.990 134 V HN 1.072 nan 8.190 nan 0.000 0.474 135 A N 3.477 126.239 122.820 -0.097 0.000 2.363 135 A HA 0.574 4.894 4.320 -0.000 0.000 0.270 135 A C 0.888 178.412 177.584 -0.100 0.000 1.121 135 A CA 0.376 52.366 52.037 -0.080 0.000 0.800 135 A CB 0.400 19.366 19.000 -0.057 0.000 1.052 135 A HN 1.104 nan 8.150 nan 0.000 0.493 136 T N -0.913 113.588 114.554 -0.088 0.000 3.130 136 T HA 0.213 4.563 4.350 -0.000 0.000 0.288 136 T C 0.254 174.950 174.700 -0.007 0.000 0.936 136 T CA 0.005 62.043 62.100 -0.103 0.000 0.897 136 T CB -0.403 68.311 68.868 -0.257 0.000 1.178 136 T HN 0.692 nan 8.240 nan 0.000 0.543 137 E N 1.660 121.863 120.200 0.006 0.000 2.558 137 E HA 0.353 4.703 4.350 -0.000 0.000 0.255 137 E C 1.160 177.775 176.600 0.026 0.000 0.968 137 E CA 0.709 57.125 56.400 0.027 0.000 0.939 137 E CB -0.159 29.549 29.700 0.013 0.000 0.921 137 E HN 0.595 nan 8.360 nan 0.000 0.477 138 G N 4.578 113.404 108.800 0.042 0.000 2.441 138 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.298 138 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.298 138 G C 0.821 175.739 174.900 0.029 0.000 0.949 138 G CA 0.623 45.744 45.100 0.036 0.000 1.072 138 G HN 0.594 nan 8.290 nan 0.000 0.512 139 R N -0.571 119.950 120.500 0.035 0.000 2.103 139 R HA 0.355 4.695 4.340 -0.000 0.000 0.212 139 R C 1.937 178.253 176.300 0.027 0.000 1.107 139 R CA 1.690 57.798 56.100 0.014 0.000 1.025 139 R CB 0.029 30.317 30.300 -0.020 0.000 0.929 139 R HN 1.213 nan 8.270 nan 0.000 0.456 140 G N -0.129 108.708 108.800 0.062 0.000 2.145 140 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.203 140 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.203 140 G C -0.090 174.872 174.900 0.103 0.000 1.096 140 G CA 0.005 45.147 45.100 0.070 0.000 1.282 140 G HN 0.205 nan 8.290 nan 0.000 0.474 141 L N -1.974 119.287 121.223 0.062 0.000 1.589 141 L HA 0.410 4.750 4.340 -0.000 0.000 0.094 141 L C 2.305 179.191 176.870 0.026 0.000 1.503 141 L CA 1.064 55.948 54.840 0.074 0.000 1.083 141 L CB -0.911 41.207 42.059 0.098 0.000 2.178 141 L HN 0.484 nan 8.230 nan 0.000 0.449 142 L N 1.978 123.217 121.223 0.028 0.000 2.191 142 L HA 0.005 4.345 4.340 -0.000 0.000 0.212 142 L C 2.821 179.693 176.870 0.003 0.000 1.103 142 L CA 1.869 56.720 54.840 0.017 0.000 0.769 142 L CB -1.123 40.950 42.059 0.024 0.000 0.908 142 L HN 0.464 nan 8.230 nan 0.000 0.438 143 A N -0.144 122.675 122.820 -0.002 0.000 1.877 143 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 143 A C 2.310 179.874 177.584 -0.033 0.000 1.186 143 A CA 1.794 53.823 52.037 -0.013 0.000 0.620 143 A CB -0.664 18.328 19.000 -0.013 0.000 0.822 143 A HN 0.346 nan 8.150 nan 0.000 0.443 144 I N -0.525 120.012 120.570 -0.055 0.000 2.113 144 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 144 I C 2.352 178.430 176.117 -0.065 0.000 1.070 144 I CA 1.307 62.549 61.300 -0.097 0.000 1.332 144 I CB -0.520 37.371 38.000 -0.182 0.000 1.044 144 I HN 0.142 nan 8.210 nan 0.000 0.402 145 V N 1.283 121.174 119.914 -0.039 0.000 2.439 145 V HA -0.289 3.831 4.120 -0.000 0.000 0.253 145 V C 2.461 178.551 176.094 -0.007 0.000 1.074 145 V CA 2.271 64.562 62.300 -0.014 0.000 1.076 145 V CB -1.377 30.446 31.823 0.001 0.000 0.664 145 V HN 0.646 nan 8.190 nan 0.000 0.461 146 G N -1.263 107.532 108.800 -0.008 0.000 2.448 146 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 146 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 146 G C 1.199 176.096 174.900 -0.006 0.000 1.135 146 G CA 0.753 45.852 45.100 -0.001 0.000 0.784 146 G HN 0.500 nan 8.290 nan 0.000 0.543 147 D N 0.118 120.504 120.400 -0.023 0.000 2.183 147 D HA 0.063 4.703 4.640 -0.000 0.000 0.205 147 D C 2.627 178.908 176.300 -0.031 0.000 0.962 147 D CA 0.144 54.125 54.000 -0.033 0.000 0.849 147 D CB -0.009 40.757 40.800 -0.057 0.000 0.978 147 D HN 0.228 nan 8.370 nan 0.000 0.488 148 L N 0.368 121.574 121.223 -0.028 0.000 2.093 148 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 148 L C 2.364 179.272 176.870 0.064 0.000 1.085 148 L CA 1.018 55.855 54.840 -0.004 0.000 0.755 148 L CB -0.357 41.710 42.059 0.013 0.000 0.904 148 L HN -0.006 nan 8.230 nan 0.000 0.435 149 A N -0.110 122.738 122.820 0.046 0.000 1.969 149 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 149 A C 2.458 180.073 177.584 0.052 0.000 1.169 149 A CA 1.586 53.653 52.037 0.049 0.000 0.635 149 A CB -0.454 18.555 19.000 0.015 0.000 0.810 149 A HN 0.406 nan 8.150 nan 0.000 0.445 150 A N -0.235 122.607 122.820 0.037 0.000 1.930 150 A HA 0.100 4.420 4.320 -0.000 0.000 0.215 150 A C 2.077 179.693 177.584 0.054 0.000 1.176 150 A CA 1.132 53.191 52.037 0.037 0.000 0.632 150 A CB -0.432 18.578 19.000 0.017 0.000 0.819 150 A HN 0.455 nan 8.150 nan 0.000 0.445 151 I N -0.737 119.857 120.570 0.041 0.000 2.163 151 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 151 I C 2.653 178.852 176.117 0.136 0.000 1.081 151 I CA 1.735 63.054 61.300 0.031 0.000 1.353 151 I CB -0.738 37.224 38.000 -0.064 0.000 1.054 151 I HN 0.224 nan 8.210 nan 0.000 0.407 152 T N 1.303 116.005 114.554 0.246 0.000 2.652 152 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 152 T C 1.826 176.751 174.700 0.375 0.000 1.039 152 T CA 1.478 63.853 62.100 0.458 0.000 1.153 152 T CB -0.307 68.842 68.868 0.468 0.000 0.863 152 T HN 0.070 nan 8.240 nan 0.000 0.428 153 L N 1.051 122.413 121.223 0.233 0.000 2.265 153 L HA 0.054 4.394 4.340 -0.000 0.000 0.215 153 L C 2.637 179.663 176.870 0.260 0.000 1.117 153 L CA 1.338 56.299 54.840 0.201 0.000 0.782 153 L CB -1.174 40.915 42.059 0.049 0.000 0.914 153 L HN 0.354 nan 8.230 nan 0.000 0.441 154 G N -1.257 107.655 108.800 0.187 0.000 2.422 154 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 154 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 154 G C 1.229 176.202 174.900 0.122 0.000 1.146 154 G CA 0.614 45.791 45.100 0.128 0.000 0.769 154 G HN 0.311 nan 8.290 nan 0.000 0.547 155 D N -0.249 120.235 120.400 0.140 0.000 2.384 155 D HA -0.015 4.625 4.640 -0.000 0.000 0.222 155 D C 1.257 177.423 176.300 -0.222 0.000 0.976 155 D CA 0.492 54.472 54.000 -0.032 0.000 0.915 155 D CB -0.120 40.662 40.800 -0.030 0.000 0.896 155 D HN 0.420 nan 8.370 nan 0.000 0.523 156 F N -0.477 119.460 119.950 -0.022 0.000 2.706 156 F HA 0.176 4.703 4.527 -0.000 0.000 0.308 156 F C 1.847 177.627 175.800 -0.033 0.000 1.095 156 F CA -0.037 57.940 58.000 -0.038 0.000 1.244 156 F CB 0.400 39.385 39.000 -0.024 0.000 1.063 156 F HN -0.058 nan 8.300 nan 0.000 0.582 157 Q N -1.010 118.871 119.800 0.136 0.000 2.211 157 Q HA 0.158 4.497 4.340 -0.000 0.000 0.242 157 Q C 0.209 176.244 176.000 0.059 0.000 0.825 157 Q CA -0.244 55.612 55.803 0.089 0.000 0.951 157 Q CB -0.150 28.642 28.738 0.092 0.000 1.130 157 Q HN 0.077 nan 8.270 nan 0.000 0.496 158 N N 1.987 120.711 118.700 0.041 0.000 2.412 158 N HA -0.093 4.647 4.740 -0.000 0.000 0.258 158 N C 0.255 175.841 175.510 0.128 0.000 1.236 158 N CA 0.627 53.717 53.050 0.068 0.000 0.882 158 N CB 0.724 39.245 38.487 0.056 0.000 1.066 158 N HN 0.079 nan 8.380 nan 0.000 0.465 159 Q N 0.981 120.874 119.800 0.155 0.000 2.219 159 Q HA 0.081 4.421 4.340 -0.000 0.000 0.209 159 Q C -0.728 175.393 176.000 0.203 0.000 0.854 159 Q CA 0.003 55.925 55.803 0.198 0.000 0.960 159 Q CB 0.042 28.851 28.738 0.119 0.000 1.116 159 Q HN 0.626 nan 8.270 nan 0.000 0.500 160 D N -0.100 120.417 120.400 0.196 0.000 2.428 160 D HA -0.008 4.632 4.640 -0.000 0.000 0.221 160 D C 0.534 176.844 176.300 0.017 0.000 1.123 160 D CA -0.581 53.480 54.000 0.100 0.000 0.869 160 D CB 0.191 41.033 40.800 0.070 0.000 1.032 160 D HN 0.001 nan 8.370 nan 0.000 0.506 161 Y N 2.827 122.926 120.300 -0.334 0.000 2.365 161 Y HA -0.193 4.357 4.550 -0.000 0.000 0.287 161 Y C 0.965 176.677 175.900 -0.313 0.000 1.162 161 Y CA 1.649 59.325 58.100 -0.706 0.000 1.260 161 Y CB 0.381 38.566 38.460 -0.458 0.000 0.976 161 Y HN 0.422 nan 8.280 nan 0.000 0.548 162 D N -0.578 119.787 120.400 -0.059 0.000 2.369 162 D HA 0.026 4.666 4.640 -0.000 0.000 0.211 162 D C 0.173 176.452 176.300 -0.035 0.000 1.077 162 D CA 0.258 54.231 54.000 -0.044 0.000 0.842 162 D CB 0.069 40.879 40.800 0.017 0.000 0.947 162 D HN 0.207 nan 8.370 nan 0.000 0.509 163 K N 2.332 122.726 120.400 -0.010 0.000 2.266 163 K HA 0.267 4.587 4.320 -0.000 0.000 0.274 163 K C -2.687 173.918 176.600 0.009 0.000 1.090 163 K CA -1.891 54.400 56.287 0.006 0.000 0.925 163 K CB 1.180 33.696 32.500 0.026 0.000 1.225 163 K HN -0.232 nan 8.250 nan 0.000 0.458 164 P HA -0.101 nan 4.420 nan 0.000 0.269 164 P C -0.415 176.871 177.300 -0.023 0.000 1.205 164 P CA -0.288 62.795 63.100 -0.028 0.000 0.780 164 P CB 0.446 32.124 31.700 -0.037 0.000 0.858 165 C N 1.897 121.176 119.300 -0.035 0.000 2.662 165 C HA 0.218 4.678 4.460 -0.000 0.000 0.420 165 C C 2.178 177.162 174.990 -0.010 0.000 1.314 165 C CA 0.672 59.673 59.018 -0.028 0.000 1.963 165 C CB -0.401 27.308 27.740 -0.052 0.000 2.686 165 C HN 0.693 nan 8.230 nan 0.000 0.609 166 A N 2.727 125.543 122.820 -0.007 0.000 1.849 166 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 166 A C 1.799 179.325 177.584 -0.096 0.000 1.202 166 A CA 1.822 53.809 52.037 -0.084 0.000 0.629 166 A CB -0.857 18.049 19.000 -0.156 0.000 0.834 166 A HN 0.996 nan 8.150 nan 0.000 0.447 167 W N -0.108 121.142 121.300 -0.084 0.000 2.305 167 W HA -0.173 4.487 4.660 -0.000 0.000 0.308 167 W C 2.213 178.667 176.519 -0.108 0.000 1.226 167 W CA 1.411 58.700 57.345 -0.094 0.000 1.253 167 W CB -0.640 28.756 29.460 -0.107 0.000 1.146 167 W HN 0.263 nan 8.180 nan 0.000 0.507 168 L N -0.456 120.826 121.223 0.098 0.000 2.005 168 L HA -0.196 4.143 4.340 -0.000 0.000 0.207 168 L C 2.654 179.511 176.870 -0.022 0.000 1.072 168 L CA 1.436 56.276 54.840 0.000 0.000 0.744 168 L CB -1.274 40.761 42.059 -0.041 0.000 0.895 168 L HN 0.011 nan 8.230 nan 0.000 0.433 169 A N -0.382 122.419 122.820 -0.032 0.000 2.024 169 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 169 A C 2.323 179.874 177.584 -0.054 0.000 1.164 169 A CA 1.794 53.804 52.037 -0.044 0.000 0.643 169 A CB -0.523 18.447 19.000 -0.049 0.000 0.806 169 A HN 0.462 nan 8.150 nan 0.000 0.451 170 A N -1.533 121.246 122.820 -0.070 0.000 2.044 170 A HA 0.229 4.549 4.320 -0.000 0.000 0.213 170 A C 2.047 179.598 177.584 -0.055 0.000 1.169 170 A CA 1.325 53.308 52.037 -0.090 0.000 0.724 170 A CB -0.098 18.798 19.000 -0.173 0.000 0.840 170 A HN 0.379 nan 8.150 nan 0.000 0.463 171 S N -0.575 115.114 115.700 -0.019 0.000 2.524 171 S HA 0.388 4.858 4.470 -0.000 0.000 0.215 171 S C 0.366 174.956 174.600 -0.017 0.000 0.986 171 S CA -0.249 57.952 58.200 0.001 0.000 0.911 171 S CB -0.049 63.184 63.200 0.056 0.000 0.805 171 S HN 0.385 nan 8.310 nan 0.000 0.501 172 L N 2.030 123.237 121.223 -0.027 0.000 2.352 172 L HA 0.410 4.750 4.340 -0.000 0.000 0.269 172 L C 0.780 177.637 176.870 -0.021 0.000 1.034 172 L CA -0.932 53.890 54.840 -0.029 0.000 0.806 172 L CB 0.800 42.837 42.059 -0.036 0.000 1.244 172 L HN 0.094 nan 8.230 nan 0.000 0.447 173 T N -1.749 112.795 114.554 -0.016 0.000 2.946 173 T HA 0.034 4.384 4.350 -0.000 0.000 0.312 173 T C -1.485 173.207 174.700 -0.015 0.000 1.066 173 T CA -1.030 61.063 62.100 -0.012 0.000 1.138 173 T CB 0.530 69.393 68.868 -0.008 0.000 1.014 173 T HN 0.507 nan 8.240 nan 0.000 0.544 174 P HA -0.136 nan 4.420 nan 0.000 0.219 174 P C 1.464 178.756 177.300 -0.012 0.000 1.146 174 P CA 0.861 63.952 63.100 -0.016 0.000 0.808 174 P CB 0.135 31.825 31.700 -0.016 0.000 0.779 175 R N -0.212 120.282 120.500 -0.009 0.000 2.073 175 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 175 R C 2.658 178.955 176.300 -0.005 0.000 1.134 175 R CA 1.112 57.209 56.100 -0.006 0.000 0.952 175 R CB -0.310 29.988 30.300 -0.004 0.000 0.850 175 R HN -0.117 nan 8.270 nan 0.000 0.433 176 R N 0.313 120.809 120.500 -0.006 0.000 2.073 176 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 176 R C 2.166 178.461 176.300 -0.008 0.000 1.134 176 R CA 1.358 57.455 56.100 -0.004 0.000 0.952 176 R CB -0.812 29.485 30.300 -0.006 0.000 0.850 176 R HN 0.189 nan 8.270 nan 0.000 0.433 177 V N 1.838 121.743 119.914 -0.014 0.000 2.392 177 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 177 V C 2.637 178.723 176.094 -0.014 0.000 1.059 177 V CA 1.683 63.972 62.300 -0.018 0.000 1.051 177 V CB -0.476 31.334 31.823 -0.023 0.000 0.658 177 V HN 0.255 nan 8.190 nan 0.000 0.455 178 K N 0.157 120.551 120.400 -0.010 0.000 2.062 178 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 178 K C 2.348 178.946 176.600 -0.003 0.000 1.051 178 K CA 1.383 57.666 56.287 -0.007 0.000 0.941 178 K CB -0.162 32.335 32.500 -0.006 0.000 0.719 178 K HN 0.379 nan 8.250 nan 0.000 0.440 179 R N 0.526 121.025 120.500 -0.001 0.000 2.070 179 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 179 R C 2.537 178.841 176.300 0.006 0.000 1.138 179 R CA 1.286 57.389 56.100 0.005 0.000 0.936 179 R CB -0.326 29.978 30.300 0.007 0.000 0.839 179 R HN 0.116 nan 8.270 nan 0.000 0.429 180 L N -0.258 120.968 121.223 0.004 0.000 2.042 180 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 180 L C 2.586 179.456 176.870 0.000 0.000 1.076 180 L CA 1.550 56.394 54.840 0.005 0.000 0.749 180 L CB -1.047 41.012 42.059 0.001 0.000 0.893 180 L HN 0.520 nan 8.230 nan 0.000 0.432 181 G N 0.001 108.797 108.800 -0.007 0.000 2.476 181 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 181 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 181 G C 1.151 176.051 174.900 0.000 0.000 1.164 181 G CA 1.026 46.120 45.100 -0.010 0.000 0.768 181 G HN 0.350 nan 8.290 nan 0.000 0.560 182 D N 0.184 120.587 120.400 0.004 0.000 2.219 182 D HA -0.041 4.599 4.640 -0.000 0.000 0.205 182 D C 2.107 178.417 176.300 0.017 0.000 0.970 182 D CA 0.540 54.546 54.000 0.010 0.000 0.851 182 D CB 0.011 40.817 40.800 0.009 0.000 0.943 182 D HN 0.215 nan 8.370 nan 0.000 0.488 183 L N -0.412 120.822 121.223 0.018 0.000 2.591 183 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 183 L C 1.641 178.532 176.870 0.034 0.000 1.133 183 L CA 0.378 55.234 54.840 0.027 0.000 0.880 183 L CB -0.451 41.624 42.059 0.028 0.000 1.033 183 L HN 0.066 nan 8.230 nan 0.000 0.450 184 G N -0.188 108.627 108.800 0.026 0.000 2.179 184 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.257 184 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.257 184 G C 0.821 175.731 174.900 0.016 0.000 1.010 184 G CA 0.558 45.676 45.100 0.030 0.000 0.736 184 G HN 0.387 nan 8.290 nan 0.000 0.513 185 L N -1.067 120.163 121.223 0.010 0.000 2.628 185 L HA 0.375 4.715 4.340 -0.000 0.000 0.229 185 L C 0.765 177.629 176.870 -0.011 0.000 1.137 185 L CA -0.299 54.549 54.840 0.014 0.000 0.909 185 L CB 0.191 42.268 42.059 0.030 0.000 1.137 185 L HN 0.163 nan 8.230 nan 0.000 0.470 186 L N 2.676 123.875 121.223 -0.040 0.000 2.257 186 L HA 0.401 4.741 4.340 -0.000 0.000 0.290 186 L C -1.916 174.900 176.870 -0.090 0.000 1.044 186 L CA -1.822 52.985 54.840 -0.055 0.000 0.810 186 L CB 0.831 42.859 42.059 -0.051 0.000 1.193 186 L HN -0.183 nan 8.230 nan 0.000 0.425 187 P HA 0.110 nan 4.420 nan 0.000 0.272 187 P C -0.353 176.912 177.300 -0.058 0.000 1.230 187 P CA 0.077 63.132 63.100 -0.075 0.000 0.788 187 P CB 0.723 32.374 31.700 -0.083 0.000 0.949 188 H N -0.162 118.779 119.070 -0.215 0.000 2.885 188 H HA 0.258 4.814 4.556 -0.000 0.000 0.260 188 H C -0.313 174.949 175.328 -0.109 0.000 0.985 188 H CA 0.045 55.997 56.048 -0.160 0.000 1.210 188 H CB 0.386 30.038 29.762 -0.183 0.000 1.466 188 H HN 0.347 nan 8.280 nan 0.000 0.493 189 N N 0.689 118.951 118.700 -0.730 0.000 2.537 189 N HA 0.129 4.869 4.740 -0.000 0.000 0.281 189 N C 0.471 175.726 175.510 -0.426 0.000 1.097 189 N CA -0.398 52.311 53.050 -0.568 0.000 0.964 189 N CB 1.204 39.292 38.487 -0.666 0.000 1.588 189 N HN 0.061 nan 8.380 nan 0.000 0.511 190 I N 1.366 121.680 120.570 -0.427 0.000 2.099 190 I HA -0.260 3.909 4.170 -0.000 0.000 0.239 190 I C 1.248 177.239 176.117 -0.210 0.000 1.066 190 I CA 1.209 62.281 61.300 -0.379 0.000 1.324 190 I CB -0.056 37.544 38.000 -0.666 0.000 1.037 190 I HN 0.503 nan 8.210 nan 0.000 0.401 191 D N 1.004 121.320 120.400 -0.140 0.000 2.117 191 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 191 D C 2.227 178.515 176.300 -0.021 0.000 0.987 191 D CA 1.607 55.605 54.000 -0.002 0.000 0.829 191 D CB -0.235 40.626 40.800 0.103 0.000 0.961 191 D HN 0.371 nan 8.370 nan 0.000 0.460 192 A N 0.330 123.109 122.820 -0.069 0.000 1.933 192 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 192 A C 2.422 180.012 177.584 0.009 0.000 1.175 192 A CA 1.749 53.770 52.037 -0.027 0.000 0.628 192 A CB -0.502 18.448 19.000 -0.083 0.000 0.814 192 A HN 0.149 nan 8.150 nan 0.000 0.444 193 S N -0.472 115.198 115.700 -0.049 0.000 2.356 193 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 193 S C 1.925 176.541 174.600 0.027 0.000 1.032 193 S CA 1.439 59.644 58.200 0.009 0.000 1.005 193 S CB -0.483 62.695 63.200 -0.037 0.000 0.867 193 S HN 0.356 nan 8.310 nan 0.000 0.449 194 V N 2.041 121.959 119.914 0.006 0.000 2.287 194 V HA -0.235 3.884 4.120 -0.000 0.000 0.248 194 V C 2.651 178.762 176.094 0.028 0.000 1.053 194 V CA 1.833 64.143 62.300 0.016 0.000 1.027 194 V CB -1.231 30.599 31.823 0.011 0.000 0.646 194 V HN 0.545 nan 8.190 nan 0.000 0.447 195 A N -0.778 122.061 122.820 0.032 0.000 1.877 195 A HA -0.288 4.032 4.320 -0.000 0.000 0.216 195 A C 2.143 179.755 177.584 0.047 0.000 1.186 195 A CA 1.952 54.012 52.037 0.037 0.000 0.620 195 A CB -0.527 18.496 19.000 0.038 0.000 0.822 195 A HN 0.645 nan 8.150 nan 0.000 0.443 196 Q N -0.955 118.885 119.800 0.066 0.000 2.291 196 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 196 Q C 1.919 177.960 176.000 0.068 0.000 0.970 196 Q CA 1.529 57.379 55.803 0.077 0.000 0.876 196 Q CB -0.266 28.549 28.738 0.128 0.000 0.935 196 Q HN 0.673 nan 8.270 nan 0.000 0.455 197 T N 0.570 115.161 114.554 0.062 0.000 2.851 197 T HA -0.042 4.308 4.350 -0.000 0.000 0.262 197 T C 1.724 176.451 174.700 0.046 0.000 1.043 197 T CA 0.783 62.915 62.100 0.053 0.000 1.140 197 T CB 0.058 68.951 68.868 0.042 0.000 0.872 197 T HN 0.173 nan 8.240 nan 0.000 0.446 198 M N 1.260 120.885 119.600 0.041 0.000 2.254 198 M HA 0.083 4.563 4.480 -0.000 0.000 0.265 198 M C 2.613 178.951 176.300 0.064 0.000 1.066 198 M CA 0.955 56.282 55.300 0.045 0.000 1.123 198 M CB -1.571 31.051 32.600 0.037 0.000 1.388 198 M HN 0.229 nan 8.290 nan 0.000 0.425 199 S N 1.140 116.870 115.700 0.050 0.000 2.383 199 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 199 S C 2.004 176.638 174.600 0.056 0.000 1.026 199 S CA 1.153 59.376 58.200 0.037 0.000 0.981 199 S CB -0.118 63.090 63.200 0.013 0.000 0.818 199 S HN 0.600 nan 8.310 nan 0.000 0.472 200 R N 0.518 121.051 120.500 0.056 0.000 2.276 200 R HA 0.039 4.379 4.340 -0.000 0.000 0.203 200 R C 1.295 177.637 176.300 0.069 0.000 1.017 200 R CA 1.473 57.606 56.100 0.055 0.000 1.010 200 R CB -0.942 29.387 30.300 0.048 0.000 0.900 200 R HN 0.518 nan 8.270 nan 0.000 0.469 201 T N -2.514 112.087 114.554 0.079 0.000 3.134 201 T HA 0.065 4.415 4.350 -0.000 0.000 0.260 201 T C 0.165 174.919 174.700 0.090 0.000 1.027 201 T CA -0.556 61.587 62.100 0.071 0.000 0.913 201 T CB -0.351 68.548 68.868 0.052 0.000 1.046 201 T HN 0.390 nan 8.240 nan 0.000 0.553 202 H N 0.977 120.055 119.070 0.013 0.000 2.671 202 H HA 0.484 5.040 4.556 -0.000 0.000 0.372 202 H C 0.416 175.749 175.328 0.008 0.000 1.227 202 H CA -0.230 55.824 56.048 0.010 0.000 1.426 202 H CB 0.756 30.523 29.762 0.007 0.000 1.480 202 H HN 0.096 nan 8.280 nan 0.000 0.611 203 V N 3.119 122.743 119.914 -0.484 0.000 2.788 203 V HA 0.184 4.304 4.120 -0.000 0.000 0.307 203 V C 1.053 177.143 176.094 -0.006 0.000 1.069 203 V CA 1.208 63.368 62.300 -0.233 0.000 1.173 203 V CB -0.291 31.349 31.823 -0.306 0.000 0.925 203 V HN 1.238 nan 8.190 nan 0.000 0.492 204 G N 3.792 112.596 108.800 0.007 0.000 2.273 204 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 204 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 204 G C 0.203 175.140 174.900 0.062 0.000 1.047 204 G CA 0.291 45.413 45.100 0.036 0.000 0.869 204 G HN 1.063 nan 8.290 nan 0.000 0.502 205 C N -1.339 117.998 119.300 0.062 0.000 3.570 205 C HA 0.616 5.075 4.460 -0.000 0.000 0.117 205 C C 0.895 175.907 174.990 0.036 0.000 2.588 205 C CA -0.061 58.992 59.018 0.059 0.000 1.911 205 C CB 0.406 28.199 27.740 0.088 0.000 3.282 205 C HN 0.582 nan 8.230 nan 0.000 0.406 206 D N 0.271 120.693 120.400 0.038 0.000 2.401 206 D HA 0.427 5.067 4.640 -0.000 0.000 0.254 206 D C 0.299 176.616 176.300 0.029 0.000 1.192 206 D CA 0.499 54.517 54.000 0.030 0.000 0.885 206 D CB 0.888 41.709 40.800 0.035 0.000 1.147 206 D HN 0.567 nan 8.370 nan 0.000 0.478 207 A N 3.554 126.387 122.820 0.022 0.000 2.312 207 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 207 A C 0.709 178.307 177.584 0.023 0.000 1.256 207 A CA -0.248 51.801 52.037 0.020 0.000 0.966 207 A CB 0.036 19.041 19.000 0.009 0.000 1.053 207 A HN 0.588 nan 8.150 nan 0.000 0.510 208 D N 0.623 121.037 120.400 0.022 0.000 2.401 208 D HA 0.251 4.891 4.640 -0.000 0.000 0.254 208 D C -1.563 174.756 176.300 0.032 0.000 1.192 208 D CA -1.300 52.715 54.000 0.025 0.000 0.885 208 D CB 1.125 41.938 40.800 0.022 0.000 1.147 208 D HN 0.006 nan 8.370 nan 0.000 0.478 209 P HA -0.189 nan 4.420 nan 0.000 0.216 209 P C 1.106 178.431 177.300 0.041 0.000 1.157 209 P CA 1.436 64.559 63.100 0.038 0.000 0.880 209 P CB 0.150 31.873 31.700 0.038 0.000 0.791 210 T N -1.240 113.337 114.554 0.039 0.000 2.777 210 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 210 T C 1.770 176.497 174.700 0.045 0.000 1.040 210 T CA 1.165 63.290 62.100 0.043 0.000 1.141 210 T CB -0.959 67.932 68.868 0.038 0.000 0.868 210 T HN 0.190 nan 8.240 nan 0.000 0.444 211 N N 1.017 119.741 118.700 0.040 0.000 2.120 211 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 211 N C 1.940 177.479 175.510 0.049 0.000 1.024 211 N CA 0.991 54.067 53.050 0.043 0.000 0.852 211 N CB -0.214 38.294 38.487 0.035 0.000 1.003 211 N HN 0.349 nan 8.380 nan 0.000 0.424 212 L N 0.795 122.045 121.223 0.046 0.000 2.046 212 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 212 L C 2.293 179.196 176.870 0.055 0.000 1.077 212 L CA 0.717 55.586 54.840 0.049 0.000 0.747 212 L CB -0.313 41.773 42.059 0.044 0.000 0.896 212 L HN 0.180 nan 8.230 nan 0.000 0.432 213 I N -0.301 120.304 120.570 0.057 0.000 2.394 213 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 213 I C 2.451 178.613 176.117 0.075 0.000 1.136 213 I CA 1.509 62.849 61.300 0.067 0.000 1.425 213 I CB -0.834 37.209 38.000 0.072 0.000 1.079 213 I HN 0.280 nan 8.210 nan 0.000 0.425 214 L N 0.413 121.678 121.223 0.069 0.000 2.027 214 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 214 L C 2.656 179.571 176.870 0.076 0.000 1.074 214 L CA 1.499 56.382 54.840 0.071 0.000 0.745 214 L CB -1.083 41.015 42.059 0.065 0.000 0.898 214 L HN 0.262 nan 8.230 nan 0.000 0.433 215 G N -0.469 108.377 108.800 0.077 0.000 2.450 215 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 215 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 215 G C 1.530 176.477 174.900 0.077 0.000 1.130 215 G CA 0.789 45.940 45.100 0.084 0.000 0.760 215 G HN 0.509 nan 8.290 nan 0.000 0.557 216 G N 0.706 109.549 108.800 0.072 0.000 2.394 216 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 216 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 216 G C 1.749 176.701 174.900 0.087 0.000 1.165 216 G CA 0.445 45.587 45.100 0.071 0.000 0.784 216 G HN 0.409 nan 8.290 nan 0.000 0.535 217 L N -0.084 121.195 121.223 0.094 0.000 2.131 217 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 217 L C 2.900 179.826 176.870 0.092 0.000 1.092 217 L CA 1.238 56.139 54.840 0.103 0.000 0.759 217 L CB -0.323 41.793 42.059 0.094 0.000 0.903 217 L HN 0.234 nan 8.230 nan 0.000 0.435 218 R N 0.235 120.779 120.500 0.074 0.000 2.066 218 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 218 R C 2.183 178.511 176.300 0.047 0.000 1.131 218 R CA 1.466 57.597 56.100 0.052 0.000 0.955 218 R CB -0.186 30.144 30.300 0.049 0.000 0.851 218 R HN 0.138 nan 8.270 nan 0.000 0.432 219 V N 1.245 121.194 119.914 0.058 0.000 2.490 219 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 219 V C 2.490 178.628 176.094 0.074 0.000 1.061 219 V CA 1.747 64.076 62.300 0.047 0.000 1.064 219 V CB -0.999 30.853 31.823 0.049 0.000 0.670 219 V HN 0.529 nan 8.190 nan 0.000 0.461 220 A N -0.194 122.697 122.820 0.117 0.000 1.933 220 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 220 A C 2.202 179.928 177.584 0.237 0.000 1.175 220 A CA 1.884 54.048 52.037 0.212 0.000 0.628 220 A CB -0.441 18.691 19.000 0.221 0.000 0.814 220 A HN 0.404 nan 8.150 nan 0.000 0.444 221 M N -0.523 119.146 119.600 0.114 0.000 2.296 221 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 221 M C 2.314 178.564 176.300 -0.084 0.000 1.064 221 M CA 1.228 56.531 55.300 0.005 0.000 1.109 221 M CB -1.361 31.234 32.600 -0.008 0.000 1.396 221 M HN 0.489 nan 8.290 nan 0.000 0.430 222 A N -0.322 122.469 122.820 -0.048 0.000 2.066 222 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 222 A C 1.885 179.410 177.584 -0.099 0.000 1.157 222 A CA 1.860 53.833 52.037 -0.107 0.000 0.670 222 A CB -0.754 18.185 19.000 -0.101 0.000 0.804 222 A HN 0.492 nan 8.150 nan 0.000 0.453 223 D N -0.559 119.845 120.400 0.007 0.000 2.123 223 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 223 D C 1.822 178.055 176.300 -0.111 0.000 0.976 223 D CA 0.848 54.911 54.000 0.105 0.000 0.831 223 D CB -0.103 40.937 40.800 0.400 0.000 0.974 223 D HN 0.339 nan 8.370 nan 0.000 0.469 224 L N 0.169 121.111 121.223 -0.468 0.000 1.994 224 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 224 L C 1.948 178.525 176.870 -0.490 0.000 1.071 224 L CA 1.980 56.287 54.840 -0.889 0.000 0.745 224 L CB -0.458 40.892 42.059 -1.180 0.000 0.892 224 L HN 0.141 nan 8.230 nan 0.000 0.431 225 D N -0.645 119.547 120.400 -0.347 0.000 2.133 225 D HA -0.215 4.425 4.640 -0.000 0.000 0.192 225 D C 2.007 178.106 176.300 -0.334 0.000 1.001 225 D CA 1.720 55.564 54.000 -0.260 0.000 0.844 225 D CB -0.173 40.505 40.800 -0.202 0.000 0.944 225 D HN 0.408 nan 8.370 nan 0.000 0.447 226 G N -1.043 107.582 108.800 -0.292 0.000 2.422 226 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 226 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 226 G C 1.794 176.511 174.900 -0.305 0.000 1.146 226 G CA 0.944 45.891 45.100 -0.254 0.000 0.769 226 G HN 0.274 nan 8.290 nan 0.000 0.547 227 S N 0.361 115.867 115.700 -0.323 0.000 2.368 227 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 227 S C 2.421 176.804 174.600 -0.363 0.000 1.029 227 S CA 1.262 59.252 58.200 -0.350 0.000 0.988 227 S CB -0.214 62.787 63.200 -0.332 0.000 0.838 227 S HN 0.370 nan 8.310 nan 0.000 0.462 228 M N 1.065 120.425 119.600 -0.400 0.000 2.064 228 M HA -0.026 4.454 4.480 -0.000 0.000 0.260 228 M C 2.326 178.200 176.300 -0.709 0.000 1.073 228 M CA 1.246 56.316 55.300 -0.383 0.000 1.124 228 M CB -0.757 31.705 32.600 -0.231 0.000 1.326 228 M HN 0.283 nan 8.290 nan 0.000 0.410 229 L N 0.739 121.292 121.223 -1.118 0.000 2.034 229 L HA -0.280 4.059 4.340 -0.000 0.000 0.217 229 L C 2.530 178.895 176.870 -0.841 0.000 1.077 229 L CA 2.068 55.918 54.840 -1.649 0.000 0.769 229 L CB -0.439 40.944 42.059 -1.125 0.000 0.890 229 L HN 0.314 nan 8.230 nan 0.000 0.435 230 A N -1.045 121.445 122.820 -0.549 0.000 1.929 230 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 230 A C 2.173 179.579 177.584 -0.297 0.000 1.176 230 A CA 1.908 53.696 52.037 -0.416 0.000 0.628 230 A CB -0.876 17.803 19.000 -0.535 0.000 0.816 230 A HN 0.561 nan 8.150 nan 0.000 0.444 231 T N -0.083 114.312 114.554 -0.265 0.000 2.698 231 T HA -0.094 4.255 4.350 -0.000 0.000 0.260 231 T C 1.856 176.512 174.700 -0.072 0.000 1.044 231 T CA 1.333 63.358 62.100 -0.124 0.000 1.149 231 T CB -0.244 68.568 68.868 -0.093 0.000 0.864 231 T HN 0.451 nan 8.240 nan 0.000 0.419 232 E N 1.465 121.601 120.200 -0.106 0.000 2.021 232 E HA -0.115 4.235 4.350 -0.000 0.000 0.200 232 E C 2.362 178.986 176.600 0.041 0.000 1.015 232 E CA 1.104 57.516 56.400 0.020 0.000 0.824 232 E CB -0.747 29.045 29.700 0.154 0.000 0.762 232 E HN 0.437 nan 8.360 nan 0.000 0.454 233 L N 1.004 122.219 121.223 -0.013 0.000 2.127 233 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 233 L C 2.586 179.469 176.870 0.022 0.000 1.089 233 L CA 0.867 55.719 54.840 0.021 0.000 0.757 233 L CB -0.393 41.657 42.059 -0.014 0.000 0.899 233 L HN 0.031 nan 8.230 nan 0.000 0.434 234 S N -0.453 115.272 115.700 0.043 0.000 2.368 234 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 234 S C 1.543 176.264 174.600 0.202 0.000 1.029 234 S CA 1.198 59.505 58.200 0.178 0.000 0.988 234 S CB -0.189 63.119 63.200 0.180 0.000 0.838 234 S HN 0.435 nan 8.310 nan 0.000 0.462 235 D N 1.635 122.108 120.400 0.122 0.000 2.117 235 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 235 D C 2.115 178.461 176.300 0.077 0.000 0.987 235 D CA 1.199 55.265 54.000 0.110 0.000 0.829 235 D CB -0.422 40.424 40.800 0.076 0.000 0.961 235 D HN 0.369 nan 8.370 nan 0.000 0.460 236 A N 0.459 123.308 122.820 0.048 0.000 1.902 236 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 236 A C 2.393 179.940 177.584 -0.061 0.000 1.181 236 A CA 0.952 52.998 52.037 0.016 0.000 0.623 236 A CB -0.724 18.292 19.000 0.028 0.000 0.818 236 A HN 0.226 nan 8.150 nan 0.000 0.443 237 L N -2.610 118.512 121.223 -0.169 0.000 2.156 237 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 237 L C 1.487 177.951 176.870 -0.677 0.000 1.095 237 L CA 1.045 55.585 54.840 -0.499 0.000 0.770 237 L CB -0.135 41.428 42.059 -0.827 0.000 0.914 237 L HN 0.488 nan 8.230 nan 0.000 0.439 238 F N -1.097 118.914 119.950 0.102 0.000 2.798 238 F HA 0.451 4.978 4.527 -0.000 0.000 0.328 238 F C 0.859 176.703 175.800 0.075 0.000 1.098 238 F CA -0.035 58.039 58.000 0.122 0.000 1.172 238 F CB 0.711 39.808 39.000 0.162 0.000 1.072 238 F HN -0.061 nan 8.300 nan 0.000 0.555 239 G N 1.582 110.478 108.800 0.160 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 -0.384 174.556 174.900 0.068 0.000 1.105 239 G CA -0.635 44.513 45.100 0.079 0.000 0.831 239 G HN 0.240 nan 8.290 nan 0.000 0.578 240 T N 3.850 118.429 114.554 0.040 0.000 2.888 240 T HA 0.556 4.906 4.350 -0.000 0.000 0.301 240 T C -1.032 173.665 174.700 -0.006 0.000 1.001 240 T CA -0.369 61.750 62.100 0.030 0.000 1.147 240 T CB 0.773 69.657 68.868 0.027 0.000 0.931 240 T HN 0.610 nan 8.240 nan 0.000 0.541 241 P HA 0.201 nan 4.420 nan 0.000 0.268 241 P C -1.222 176.023 177.300 -0.091 0.000 1.205 241 P CA -0.271 62.796 63.100 -0.055 0.000 0.771 241 P CB 0.662 32.339 31.700 -0.039 0.000 0.858 242 Q N 2.529 122.250 119.800 -0.132 0.000 2.451 242 Q HA 0.639 4.979 4.340 -0.000 0.000 0.281 242 Q C -2.870 172.978 176.000 -0.254 0.000 1.099 242 Q CA -2.907 52.785 55.803 -0.186 0.000 0.806 242 Q CB -0.751 27.905 28.738 -0.137 0.000 1.419 242 Q HN 0.212 nan 8.270 nan 0.000 0.427 243 P HA -0.017 nan 4.420 nan 0.000 0.261 243 P C -1.090 176.100 177.300 -0.183 0.000 1.158 243 P CA 0.286 63.122 63.100 -0.440 0.000 0.758 243 P CB 0.371 31.790 31.700 -0.468 0.000 0.763 244 V N 4.404 124.261 119.914 -0.096 0.000 3.120 244 V HA 0.373 4.493 4.120 -0.000 0.000 0.303 244 V C -0.910 175.208 176.094 0.040 0.000 1.238 244 V CA -0.823 61.462 62.300 -0.024 0.000 1.008 244 V CB 2.642 34.447 31.823 -0.029 0.000 1.064 244 V HN 0.103 nan 8.190 nan 0.000 0.434 245 V N 4.191 124.132 119.914 0.045 0.000 2.617 245 V HA 0.871 4.991 4.120 -0.000 0.000 0.298 245 V C 0.329 176.461 176.094 0.064 0.000 1.048 245 V CA 0.561 62.902 62.300 0.068 0.000 0.964 245 V CB 1.626 33.483 31.823 0.058 0.000 1.004 245 V HN 1.108 nan 8.190 nan 0.000 0.466 246 S N 1.700 117.447 115.700 0.078 0.000 2.800 246 S HA 0.908 5.378 4.470 -0.000 0.000 0.293 246 S C -1.081 173.565 174.600 0.077 0.000 1.209 246 S CA 0.191 58.435 58.200 0.073 0.000 0.884 246 S CB 1.691 64.939 63.200 0.080 0.000 1.244 246 S HN 1.254 nan 8.310 nan 0.000 0.540 247 A N 0.059 122.924 122.820 0.074 0.000 2.479 247 A HA 1.020 5.340 4.320 -0.000 0.000 0.296 247 A C -0.548 177.085 177.584 0.081 0.000 1.121 247 A CA -0.105 51.977 52.037 0.075 0.000 0.743 247 A CB 1.226 20.263 19.000 0.061 0.000 1.323 247 A HN 1.666 nan 8.150 nan 0.000 0.415 248 A N 0.549 123.420 122.820 0.085 0.000 2.564 248 A HA 0.875 5.195 4.320 -0.000 0.000 0.288 248 A C -0.321 177.311 177.584 0.080 0.000 1.164 248 A CA -0.278 51.810 52.037 0.084 0.000 0.712 248 A CB 0.902 19.962 19.000 0.100 0.000 1.303 248 A HN 1.893 nan 8.150 nan 0.000 0.418 249 N N -1.959 116.780 118.700 0.065 0.000 4.753 249 N HA -0.148 4.592 4.740 -0.000 0.000 0.349 249 N C 0.296 175.839 175.510 0.055 0.000 1.769 249 N CA 0.551 53.635 53.050 0.058 0.000 2.863 249 N CB -0.362 38.182 38.487 0.094 0.000 0.423 249 N HN 0.946 nan 8.380 nan 0.000 0.781 250 L N 2.252 123.492 121.223 0.027 0.000 2.171 250 L HA -0.139 4.201 4.340 -0.000 0.000 0.216 250 L C 2.100 179.010 176.870 0.067 0.000 1.084 250 L CA 2.728 57.583 54.840 0.025 0.000 0.771 250 L CB -0.909 41.144 42.059 -0.011 0.000 0.890 250 L HN 0.692 nan 8.230 nan 0.000 0.437 251 G N -1.863 107.010 108.800 0.121 0.000 3.284 251 G HA2 0.254 4.214 3.960 -0.000 0.000 0.251 251 G HA3 0.254 4.214 3.960 -0.000 0.000 0.251 251 G C 0.736 175.688 174.900 0.087 0.000 0.913 251 G CA 0.415 45.593 45.100 0.131 0.000 1.947 251 G HN 0.233 nan 8.290 nan 0.000 0.635 252 V N 0.504 120.456 119.914 0.063 0.000 3.426 252 V HA 0.343 4.463 4.120 -0.000 0.000 0.279 252 V C 1.101 177.216 176.094 0.036 0.000 1.544 252 V CA -0.025 62.303 62.300 0.047 0.000 1.017 252 V CB -0.036 31.810 31.823 0.040 0.000 0.821 252 V HN 0.470 nan 8.190 nan 0.000 0.432 253 M N 1.251 120.874 119.600 0.040 0.000 2.242 253 M HA 0.285 4.765 4.480 -0.000 0.000 0.344 253 M C -0.195 176.134 176.300 0.048 0.000 1.140 253 M CA 0.771 56.095 55.300 0.039 0.000 1.160 253 M CB 0.669 33.293 32.600 0.040 0.000 1.491 253 M HN -0.001 nan 8.290 nan 0.000 0.459 254 K N 1.655 122.085 120.400 0.050 0.000 2.206 254 K HA 0.356 4.676 4.320 -0.000 0.000 0.264 254 K C 0.608 177.261 176.600 0.088 0.000 0.967 254 K CA -0.871 55.449 56.287 0.056 0.000 0.844 254 K CB 1.842 34.362 32.500 0.034 0.000 1.099 254 K HN 0.514 nan 8.250 nan 0.000 0.441 255 R N 1.359 121.912 120.500 0.089 0.000 2.075 255 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 255 R C 1.596 177.996 176.300 0.166 0.000 1.126 255 R CA 1.580 57.749 56.100 0.115 0.000 0.963 255 R CB -0.299 30.050 30.300 0.081 0.000 0.858 255 R HN 0.900 nan 8.270 nan 0.000 0.435 256 G N -0.600 108.271 108.800 0.118 0.000 2.985 256 G HA2 0.256 4.216 3.960 -0.000 0.000 0.209 256 G HA3 0.256 4.216 3.960 -0.000 0.000 0.209 256 G C 0.081 175.005 174.900 0.040 0.000 1.165 256 G CA 0.406 45.576 45.100 0.117 0.000 0.776 256 G HN 0.373 nan 8.290 nan 0.000 0.541 257 A N -0.433 122.401 122.820 0.023 0.000 2.354 257 A HA 0.698 5.017 4.320 -0.000 0.000 0.321 257 A C -0.581 176.917 177.584 -0.144 0.000 1.125 257 A CA -0.479 51.493 52.037 -0.109 0.000 0.799 257 A CB 1.772 20.739 19.000 -0.055 0.000 1.293 257 A HN 0.185 nan 8.150 nan 0.000 0.452 258 V N 2.960 122.686 119.914 -0.315 0.000 2.427 258 V HA 0.133 4.253 4.120 -0.000 0.000 0.268 258 V C -0.246 175.829 176.094 -0.032 0.000 1.046 258 V CA -0.559 61.615 62.300 -0.210 0.000 0.970 258 V CB 0.247 31.904 31.823 -0.277 0.000 1.001 258 V HN 0.741 nan 8.190 nan 0.000 0.476 259 N N 5.953 124.694 118.700 0.068 0.000 2.426 259 N HA 0.528 5.268 4.740 -0.000 0.000 0.257 259 N C -0.703 174.815 175.510 0.013 0.000 1.002 259 N CA -0.173 52.899 53.050 0.036 0.000 0.942 259 N CB 2.012 40.534 38.487 0.059 0.000 1.112 259 N HN 0.549 nan 8.380 nan 0.000 0.499 260 I N 1.396 121.955 120.570 -0.020 0.000 2.439 260 I HA 0.392 4.562 4.170 -0.000 0.000 0.285 260 I C -0.132 175.953 176.117 -0.054 0.000 1.021 260 I CA -0.905 60.372 61.300 -0.038 0.000 1.091 260 I CB 1.720 39.694 38.000 -0.044 0.000 1.242 260 I HN 0.341 nan 8.210 nan 0.000 0.439 261 A N 6.507 129.289 122.820 -0.063 0.000 2.292 261 A HA 0.757 5.077 4.320 -0.000 0.000 0.319 261 A C -0.315 177.217 177.584 -0.087 0.000 1.206 261 A CA -0.545 51.448 52.037 -0.074 0.000 0.835 261 A CB 1.087 20.042 19.000 -0.075 0.000 1.164 261 A HN 0.581 nan 8.150 nan 0.000 0.505 262 V N 1.070 120.924 119.914 -0.100 0.000 2.398 262 V HA 0.748 4.868 4.120 -0.000 0.000 0.286 262 V C -0.566 175.458 176.094 -0.117 0.000 1.026 262 V CA -0.800 61.430 62.300 -0.116 0.000 0.868 262 V CB 1.142 32.883 31.823 -0.137 0.000 0.982 262 V HN 0.847 nan 8.190 nan 0.000 0.443 263 N N 2.896 121.535 118.700 -0.102 0.000 2.310 263 N HA 0.875 5.615 4.740 -0.000 0.000 0.292 263 N C -0.125 175.350 175.510 -0.059 0.000 1.049 263 N CA 0.693 53.691 53.050 -0.088 0.000 0.849 263 N CB 2.307 40.757 38.487 -0.062 0.000 1.532 263 N HN 1.319 nan 8.380 nan 0.000 0.479 264 G N 1.547 110.311 108.800 -0.060 0.000 2.470 264 G HA2 0.004 3.964 3.960 -0.000 0.000 0.145 264 G HA3 0.004 3.964 3.960 -0.000 0.000 0.145 264 G C -0.664 174.215 174.900 -0.036 0.000 1.223 264 G CA -0.262 44.867 45.100 0.049 0.000 1.058 264 G HN 0.593 nan 8.290 nan 0.000 0.469 265 H N -0.414 118.577 119.070 -0.131 0.000 3.580 265 H HA 0.292 4.848 4.556 -0.000 0.000 0.245 265 H C 0.624 175.718 175.328 -0.389 0.000 1.015 265 H CA 0.214 56.138 56.048 -0.208 0.000 1.113 265 H CB 0.454 30.084 29.762 -0.221 0.000 1.469 265 H HN 0.334 nan 8.280 nan 0.000 0.554 266 N N 3.938 122.507 118.700 -0.218 0.000 2.401 266 N HA 0.043 4.783 4.740 -0.000 0.000 0.255 266 N C -1.667 173.775 175.510 -0.113 0.000 1.110 266 N CA -1.645 51.297 53.050 -0.179 0.000 0.949 266 N CB 1.233 39.699 38.487 -0.035 0.000 1.110 266 N HN 0.065 nan 8.380 nan 0.000 0.490 267 P HA -0.137 nan 4.420 nan 0.000 0.223 267 P C 1.300 178.402 177.300 -0.330 0.000 1.151 267 P CA 0.932 63.879 63.100 -0.255 0.000 0.787 267 P CB 0.234 31.749 31.700 -0.308 0.000 0.788 268 M N -1.306 118.265 119.600 -0.048 0.000 2.260 268 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 268 M C 1.912 178.361 176.300 0.248 0.000 1.066 268 M CA 1.471 56.918 55.300 0.244 0.000 1.082 268 M CB -0.425 32.299 32.600 0.206 0.000 1.388 268 M HN 0.010 nan 8.290 nan 0.000 0.419 269 L N -0.648 120.488 121.223 -0.145 0.000 2.187 269 L HA 0.005 4.345 4.340 -0.000 0.000 0.197 269 L C 2.542 179.234 176.870 -0.296 0.000 1.090 269 L CA 2.029 56.559 54.840 -0.517 0.000 0.781 269 L CB -1.137 40.387 42.059 -0.891 0.000 0.956 269 L HN 0.295 nan 8.230 nan 0.000 0.463 270 S N -1.035 114.502 115.700 -0.273 0.000 2.372 270 S HA -0.313 4.157 4.470 -0.000 0.000 0.227 270 S C 1.957 176.425 174.600 -0.220 0.000 1.044 270 S CA 1.666 59.727 58.200 -0.230 0.000 1.050 270 S CB -1.229 61.840 63.200 -0.219 0.000 0.901 270 S HN 0.651 nan 8.310 nan 0.000 0.447 271 D N 1.319 121.557 120.400 -0.270 0.000 2.104 271 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 271 D C 1.985 178.220 176.300 -0.109 0.000 0.994 271 D CA 1.498 55.336 54.000 -0.270 0.000 0.830 271 D CB -0.125 40.399 40.800 -0.459 0.000 0.959 271 D HN 0.354 nan 8.370 nan 0.000 0.452 272 I N 1.407 121.975 120.570 -0.004 0.000 2.286 272 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 272 I C 2.595 178.697 176.117 -0.025 0.000 1.115 272 I CA 0.603 61.920 61.300 0.029 0.000 1.392 272 I CB -0.958 37.105 38.000 0.106 0.000 1.065 272 I HN 0.147 nan 8.210 nan 0.000 0.418 273 I N 0.142 120.670 120.570 -0.069 0.000 2.226 273 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 273 I C 2.683 178.748 176.117 -0.087 0.000 1.100 273 I CA 1.060 62.312 61.300 -0.079 0.000 1.374 273 I CB -0.337 37.596 38.000 -0.113 0.000 1.057 273 I HN 0.242 nan 8.210 nan 0.000 0.413 274 C N 0.512 119.736 119.300 -0.127 0.000 2.413 274 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 274 C C 2.426 177.360 174.990 -0.093 0.000 1.265 274 C CA 0.686 59.620 59.018 -0.140 0.000 1.752 274 C CB -1.013 26.574 27.740 -0.255 0.000 1.998 274 C HN 0.530 nan 8.230 nan 0.000 0.489 275 D N 0.660 121.018 120.400 -0.070 0.000 2.075 275 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 275 D C 2.199 178.485 176.300 -0.024 0.000 0.985 275 D CA 1.304 55.287 54.000 -0.029 0.000 0.834 275 D CB -0.516 40.282 40.800 -0.003 0.000 0.987 275 D HN 0.262 nan 8.370 nan 0.000 0.452 276 V N 1.992 121.892 119.914 -0.023 0.000 2.453 276 V HA -0.270 3.850 4.120 -0.000 0.000 0.252 276 V C 2.537 178.616 176.094 -0.025 0.000 1.068 276 V CA 1.744 64.033 62.300 -0.018 0.000 1.070 276 V CB -0.894 30.923 31.823 -0.010 0.000 0.664 276 V HN 0.168 nan 8.190 nan 0.000 0.461 277 A N 0.347 123.144 122.820 -0.037 0.000 1.865 277 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 277 A C 2.499 180.060 177.584 -0.038 0.000 1.191 277 A CA 2.226 54.237 52.037 -0.043 0.000 0.623 277 A CB -0.981 17.986 19.000 -0.056 0.000 0.826 277 A HN 0.607 nan 8.150 nan 0.000 0.444 278 A N 0.078 122.878 122.820 -0.032 0.000 1.948 278 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 278 A C 1.654 179.226 177.584 -0.021 0.000 1.177 278 A CA 1.956 53.979 52.037 -0.024 0.000 0.636 278 A CB -0.638 18.354 19.000 -0.014 0.000 0.815 278 A HN 0.549 nan 8.150 nan 0.000 0.449 279 D N -0.201 120.188 120.400 -0.019 0.000 2.312 279 D HA -0.020 4.620 4.640 -0.000 0.000 0.211 279 D C 1.273 177.562 176.300 -0.018 0.000 0.964 279 D CA 0.641 54.632 54.000 -0.015 0.000 0.877 279 D CB -0.100 40.693 40.800 -0.011 0.000 0.924 279 D HN 0.449 nan 8.370 nan 0.000 0.515 280 L N 1.742 122.951 121.223 -0.025 0.000 2.685 280 L HA 0.138 4.478 4.340 -0.000 0.000 0.233 280 L C 2.195 179.043 176.870 -0.038 0.000 1.173 280 L CA -0.152 54.671 54.840 -0.027 0.000 0.961 280 L CB -0.063 41.980 42.059 -0.028 0.000 1.217 280 L HN -0.037 nan 8.230 nan 0.000 0.478 281 R N 0.345 120.823 120.500 -0.036 0.000 2.103 281 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 281 R C 0.849 177.124 176.300 -0.041 0.000 1.142 281 R CA 1.833 57.907 56.100 -0.043 0.000 0.960 281 R CB -0.799 29.482 30.300 -0.032 0.000 0.858 281 R HN 0.312 nan 8.270 nan 0.000 0.439 282 D N 1.057 121.440 120.400 -0.028 0.000 2.149 282 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 282 D C 1.914 178.200 176.300 -0.022 0.000 0.972 282 D CA 0.964 54.951 54.000 -0.022 0.000 0.835 282 D CB -0.101 40.691 40.800 -0.013 0.000 0.966 282 D HN 0.507 nan 8.370 nan 0.000 0.476 283 E N 0.994 121.180 120.200 -0.024 0.000 2.072 283 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 283 E C 2.105 178.685 176.600 -0.034 0.000 0.985 283 E CA 0.901 57.290 56.400 -0.019 0.000 0.801 283 E CB 0.022 29.712 29.700 -0.016 0.000 0.750 283 E HN 0.169 nan 8.360 nan 0.000 0.452 284 A N 1.634 124.415 122.820 -0.065 0.000 1.841 284 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 284 A C 2.230 179.738 177.584 -0.127 0.000 1.195 284 A CA 0.957 52.918 52.037 -0.126 0.000 0.611 284 A CB -0.698 18.200 19.000 -0.169 0.000 0.835 284 A HN 0.107 nan 8.150 nan 0.000 0.443 285 I N 0.058 120.574 120.570 -0.090 0.000 2.194 285 I HA -0.363 3.807 4.170 -0.000 0.000 0.246 285 I C 2.981 179.086 176.117 -0.020 0.000 1.093 285 I CA 1.194 62.459 61.300 -0.059 0.000 1.355 285 I CB -0.474 37.504 38.000 -0.036 0.000 1.046 285 I HN 0.394 nan 8.210 nan 0.000 0.413 286 A N 0.976 123.789 122.820 -0.012 0.000 1.865 286 A HA -0.211 4.108 4.320 -0.000 0.000 0.217 286 A C 2.466 180.071 177.584 0.036 0.000 1.191 286 A CA 2.001 54.045 52.037 0.011 0.000 0.623 286 A CB -1.016 17.989 19.000 0.008 0.000 0.826 286 A HN 0.451 nan 8.150 nan 0.000 0.444 287 A N -1.867 120.977 122.820 0.039 0.000 2.272 287 A HA 0.320 4.639 4.320 -0.000 0.000 0.213 287 A C 1.791 179.497 177.584 0.203 0.000 1.183 287 A CA 1.564 53.664 52.037 0.106 0.000 0.719 287 A CB -1.197 17.869 19.000 0.110 0.000 0.771 287 A HN 2.140 nan 8.150 nan 0.000 0.484 288 G N -3.058 105.832 108.800 0.149 0.000 2.138 288 G HA2 0.171 4.131 3.960 -0.000 0.000 0.193 288 G HA3 0.171 4.131 3.960 -0.000 0.000 0.193 288 G C 0.192 175.266 174.900 0.290 0.000 0.998 288 G CA 0.027 45.270 45.100 0.239 0.000 0.668 288 G HN 1.624 nan 8.290 nan 0.000 0.516 289 A N 0.302 123.091 122.820 -0.052 0.000 2.621 289 A HA 0.875 5.195 4.320 -0.000 0.000 0.329 289 A C 1.549 179.058 177.584 -0.124 0.000 1.458 289 A CA 0.887 52.716 52.037 -0.347 0.000 1.052 289 A CB 0.260 18.843 19.000 -0.696 0.000 1.142 289 A HN 1.753 nan 8.150 nan 0.000 0.523 290 A N 2.260 125.072 122.820 -0.013 0.000 1.849 290 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 290 A C 1.502 179.070 177.584 -0.026 0.000 1.202 290 A CA 1.904 53.942 52.037 0.002 0.000 0.629 290 A CB -0.460 18.562 19.000 0.037 0.000 0.834 290 A HN 0.760 nan 8.150 nan 0.000 0.447 291 E N -0.577 119.604 120.200 -0.031 0.000 2.463 291 E HA 0.348 4.698 4.350 -0.000 0.000 0.191 291 E C 1.122 177.683 176.600 -0.064 0.000 1.083 291 E CA 0.119 56.499 56.400 -0.034 0.000 0.872 291 E CB -0.289 29.402 29.700 -0.014 0.000 0.966 291 E HN 0.773 nan 8.360 nan 0.000 0.491 292 G N 1.980 110.715 108.800 -0.107 0.000 2.509 292 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.259 292 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.259 292 G C -0.168 174.634 174.900 -0.162 0.000 1.169 292 G CA -0.365 44.659 45.100 -0.128 0.000 0.953 292 G HN 0.204 nan 8.290 nan 0.000 0.563 293 I N 1.736 122.237 120.570 -0.115 0.000 2.321 293 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 293 I C -0.135 175.939 176.117 -0.072 0.000 0.998 293 I CA -0.477 60.759 61.300 -0.105 0.000 1.227 293 I CB 1.625 39.574 38.000 -0.085 0.000 1.368 293 I HN 0.462 nan 8.210 nan 0.000 0.466 294 N N 8.479 127.142 118.700 -0.062 0.000 2.707 294 N HA 0.336 5.076 4.740 -0.000 0.000 0.235 294 N C -0.634 174.855 175.510 -0.035 0.000 1.028 294 N CA -0.590 52.437 53.050 -0.038 0.000 0.906 294 N CB 0.565 39.039 38.487 -0.020 0.000 1.131 294 N HN 0.527 nan 8.380 nan 0.000 0.509 295 I N 1.731 122.274 120.570 -0.045 0.000 2.371 295 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 295 I C -0.010 176.077 176.117 -0.050 0.000 1.028 295 I CA -0.811 60.457 61.300 -0.053 0.000 1.345 295 I CB 0.509 38.466 38.000 -0.071 0.000 1.407 295 I HN 0.320 nan 8.210 nan 0.000 0.501 296 I N 3.161 123.701 120.570 -0.050 0.000 2.603 296 I HA 0.894 5.064 4.170 -0.000 0.000 0.300 296 I C 0.276 176.351 176.117 -0.071 0.000 1.017 296 I CA -0.710 60.561 61.300 -0.048 0.000 1.098 296 I CB 1.793 39.773 38.000 -0.033 0.000 1.279 296 I HN 0.679 nan 8.210 nan 0.000 0.437 297 G N 5.129 113.881 108.800 -0.080 0.000 2.488 297 G HA2 0.766 4.726 3.960 -0.000 0.000 0.318 297 G HA3 0.766 4.726 3.960 -0.000 0.000 0.318 297 G C -0.853 173.965 174.900 -0.135 0.000 1.188 297 G CA -0.816 44.213 45.100 -0.118 0.000 0.944 297 G HN 0.660 nan 8.290 nan 0.000 0.495 298 I N -0.177 120.289 120.570 -0.173 0.000 2.586 298 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 298 I C 0.102 176.082 176.117 -0.228 0.000 1.147 298 I CA -0.374 60.825 61.300 -0.168 0.000 1.047 298 I CB 1.428 39.365 38.000 -0.105 0.000 1.244 298 I HN 0.779 nan 8.210 nan 0.000 0.429 299 C N 2.639 121.770 119.300 -0.281 0.000 0.168 299 C HA -0.280 4.180 4.460 -0.000 0.000 0.017 299 C C 2.329 177.044 174.990 -0.458 0.000 0.171 299 C CA -0.052 58.818 59.018 -0.246 0.000 0.499 299 C CB -1.636 26.049 27.740 -0.092 0.000 3.212 299 C HN 1.034 nan 8.230 nan 0.000 1.118 300 C N -0.088 119.081 119.300 -0.220 0.000 2.388 300 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 300 C C 2.774 177.667 174.990 -0.161 0.000 1.210 300 C CA 2.357 61.307 59.018 -0.114 0.000 1.743 300 C CB -1.674 25.767 27.740 -0.498 0.000 2.047 300 C HN 1.034 nan 8.230 nan 0.000 0.458 301 T N -0.100 114.297 114.554 -0.263 0.000 2.778 301 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 301 T C 1.720 176.317 174.700 -0.171 0.000 1.050 301 T CA 2.080 64.071 62.100 -0.181 0.000 1.137 301 T CB -0.497 68.264 68.868 -0.178 0.000 0.860 301 T HN 0.673 nan 8.240 nan 0.000 0.468 302 G N -0.703 107.953 108.800 -0.239 0.000 2.402 302 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 302 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 302 G C 1.224 176.010 174.900 -0.189 0.000 1.162 302 G CA 0.849 45.803 45.100 -0.242 0.000 0.777 302 G HN 0.649 nan 8.290 nan 0.000 0.539 303 H N 0.202 119.266 119.070 -0.010 0.000 2.423 303 H HA 0.037 4.593 4.556 -0.000 0.000 0.297 303 H C 2.568 177.877 175.328 -0.032 0.000 1.075 303 H CA 1.056 57.122 56.048 0.031 0.000 1.342 303 H CB 0.304 30.144 29.762 0.131 0.000 1.395 303 H HN 0.233 nan 8.280 nan 0.000 0.530 304 E N 0.615 120.851 120.200 0.059 0.000 2.038 304 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 304 E C 2.519 179.126 176.600 0.011 0.000 1.000 304 E CA 1.670 58.083 56.400 0.021 0.000 0.803 304 E CB -0.397 29.286 29.700 -0.029 0.000 0.750 304 E HN 0.501 nan 8.360 nan 0.000 0.448 305 V N -0.909 118.987 119.914 -0.029 0.000 2.871 305 V HA -0.056 4.064 4.120 -0.000 0.000 0.256 305 V C 2.329 178.457 176.094 0.056 0.000 1.082 305 V CA 1.442 63.740 62.300 -0.003 0.000 1.105 305 V CB -0.564 31.185 31.823 -0.123 0.000 0.713 305 V HN 0.103 nan 8.190 nan 0.000 0.473 306 M N -0.749 118.863 119.600 0.019 0.000 2.288 306 M HA -0.034 4.446 4.480 -0.000 0.000 0.266 306 M C 2.166 178.465 176.300 -0.002 0.000 1.072 306 M CA 1.629 56.944 55.300 0.026 0.000 1.132 306 M CB 0.007 32.635 32.600 0.045 0.000 1.386 306 M HN 0.284 nan 8.290 nan 0.000 0.432 307 M N 0.105 119.680 119.600 -0.042 0.000 2.098 307 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 307 M C 2.156 178.434 176.300 -0.037 0.000 1.072 307 M CA 1.727 56.974 55.300 -0.088 0.000 1.133 307 M CB -1.081 31.459 32.600 -0.100 0.000 1.344 307 M HN 0.310 nan 8.290 nan 0.000 0.414 308 R N -1.042 119.471 120.500 0.021 0.000 2.055 308 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 308 R C 0.454 176.636 176.300 -0.197 0.000 1.143 308 R CA 0.942 57.001 56.100 -0.068 0.000 0.945 308 R CB -0.315 29.990 30.300 0.009 0.000 0.841 308 R HN 0.417 nan 8.270 nan 0.000 0.429 309 H N -2.220 116.842 119.070 -0.015 0.000 2.630 309 H HA 0.277 4.833 4.556 -0.000 0.000 0.343 309 H C 1.182 176.502 175.328 -0.013 0.000 1.232 309 H CA -0.322 55.719 56.048 -0.010 0.000 1.294 309 H CB 0.578 30.335 29.762 -0.008 0.000 1.746 309 H HN 0.156 nan 8.280 nan 0.000 0.593 310 G N -0.109 108.766 108.800 0.125 0.000 2.509 310 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 310 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 310 G C -0.083 174.852 174.900 0.059 0.000 1.124 310 G CA 0.222 45.364 45.100 0.070 0.000 0.776 310 G HN 0.446 nan 8.290 nan 0.000 0.547 311 V N 3.427 123.374 119.914 0.055 0.000 2.996 311 V HA -0.052 4.068 4.120 -0.000 0.000 0.289 311 V C -1.368 174.736 176.094 0.017 0.000 1.171 311 V CA -0.448 61.859 62.300 0.013 0.000 1.298 311 V CB -0.261 31.546 31.823 -0.025 0.000 0.803 311 V HN 0.278 nan 8.190 nan 0.000 0.448 312 P HA 0.175 nan 4.420 nan 0.000 0.276 312 P C -0.553 176.754 177.300 0.011 0.000 1.230 312 P CA -0.579 62.538 63.100 0.027 0.000 0.776 312 P CB 1.297 33.013 31.700 0.027 0.000 0.888 313 L N 3.442 124.683 121.223 0.030 0.000 2.281 313 L HA 0.391 4.731 4.340 -0.000 0.000 0.285 313 L C 1.355 178.227 176.870 0.004 0.000 1.074 313 L CA 0.002 54.844 54.840 0.004 0.000 0.817 313 L CB 0.428 42.517 42.059 0.050 0.000 1.168 313 L HN 0.512 nan 8.230 nan 0.000 0.434 314 A N 3.411 126.216 122.820 -0.025 0.000 1.872 314 A HA 0.203 4.523 4.320 -0.000 0.000 0.214 314 A C 1.048 178.626 177.584 -0.011 0.000 1.187 314 A CA 1.459 53.487 52.037 -0.016 0.000 0.614 314 A CB -0.222 18.758 19.000 -0.034 0.000 0.826 314 A HN 0.772 nan 8.150 nan 0.000 0.442 315 T N -3.451 111.088 114.554 -0.024 0.000 2.652 315 T HA 0.373 4.723 4.350 -0.000 0.000 0.303 315 T C -1.093 173.601 174.700 -0.009 0.000 1.738 315 T CA -0.096 62.000 62.100 -0.006 0.000 0.969 315 T CB -0.121 68.742 68.868 -0.007 0.000 1.778 315 T HN 0.489 nan 8.240 nan 0.000 0.494 316 N N 0.292 119.011 118.700 0.031 0.000 2.592 316 N HA 0.306 5.046 4.740 -0.000 0.000 0.290 316 N C 0.907 176.463 175.510 0.077 0.000 1.364 316 N CA -0.255 52.838 53.050 0.072 0.000 0.878 316 N CB -0.762 37.796 38.487 0.119 0.000 1.104 316 N HN 0.577 nan 8.380 nan 0.000 0.485 317 Y N 0.040 120.336 120.300 -0.007 0.000 2.090 317 Y HA 0.109 4.659 4.550 -0.000 0.000 0.274 317 Y C 2.069 177.908 175.900 -0.102 0.000 1.110 317 Y CA 1.451 59.525 58.100 -0.043 0.000 1.092 317 Y CB -0.775 37.664 38.460 -0.035 0.000 0.992 317 Y HN 0.312 nan 8.280 nan 0.000 0.479 318 L N 0.020 121.018 121.223 -0.375 0.000 2.129 318 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 318 L C 1.935 178.513 176.870 -0.487 0.000 1.087 318 L CA 1.891 56.342 54.840 -0.648 0.000 0.757 318 L CB -0.759 40.971 42.059 -0.548 0.000 0.896 318 L HN 0.373 nan 8.230 nan 0.000 0.434 319 S N -1.174 114.448 115.700 -0.131 0.000 2.634 319 S HA -0.030 4.440 4.470 -0.000 0.000 0.221 319 S C 1.472 176.041 174.600 -0.052 0.000 0.952 319 S CA -0.239 57.989 58.200 0.047 0.000 0.930 319 S CB -0.055 63.225 63.200 0.133 0.000 0.780 319 S HN 0.555 nan 8.310 nan 0.000 0.498 320 Q N 1.637 121.346 119.800 -0.152 0.000 2.437 320 Q HA -0.095 4.245 4.340 -0.000 0.000 0.210 320 Q C 1.208 177.136 176.000 -0.120 0.000 0.972 320 Q CA 1.357 57.082 55.803 -0.129 0.000 0.903 320 Q CB -0.595 28.054 28.738 -0.148 0.000 0.967 320 Q HN 0.716 nan 8.270 nan 0.000 0.486 321 E N 0.743 120.870 120.200 -0.121 0.000 2.216 321 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 321 E C 1.800 178.347 176.600 -0.089 0.000 0.973 321 E CA 0.049 56.385 56.400 -0.107 0.000 0.851 321 E CB 0.086 29.724 29.700 -0.103 0.000 0.804 321 E HN 0.184 nan 8.360 nan 0.000 0.477 322 L N 1.182 122.381 121.223 -0.041 0.000 2.189 322 L HA -0.125 4.215 4.340 -0.000 0.000 0.214 322 L C -0.546 176.278 176.870 -0.077 0.000 1.097 322 L CA 1.718 56.536 54.840 -0.037 0.000 0.764 322 L CB -2.172 39.885 42.059 -0.003 0.000 0.900 322 L HN 0.082 nan 8.230 nan 0.000 0.436 323 P HA -0.122 nan 4.420 nan 0.000 0.218 323 P C 2.123 179.327 177.300 -0.160 0.000 1.149 323 P CA 1.115 64.158 63.100 -0.095 0.000 0.817 323 P CB 0.116 31.765 31.700 -0.085 0.000 0.785 324 I N -1.262 119.164 120.570 -0.239 0.000 2.226 324 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 324 I C 2.137 177.822 176.117 -0.720 0.000 1.100 324 I CA 1.290 62.316 61.300 -0.456 0.000 1.374 324 I CB -0.826 36.892 38.000 -0.469 0.000 1.057 324 I HN -0.098 nan 8.210 nan 0.000 0.413 325 L N 0.104 121.074 121.223 -0.420 0.000 2.187 325 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 325 L C 2.550 179.418 176.870 -0.003 0.000 1.100 325 L CA 1.277 56.015 54.840 -0.170 0.000 0.765 325 L CB -1.301 40.766 42.059 0.014 0.000 0.904 325 L HN 0.260 nan 8.230 nan 0.000 0.437 326 T N -0.080 114.441 114.554 -0.056 0.000 2.822 326 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 326 T C 1.494 176.266 174.700 0.120 0.000 1.064 326 T CA 1.464 63.585 62.100 0.035 0.000 1.131 326 T CB -0.414 68.460 68.868 0.010 0.000 0.858 326 T HN 0.736 nan 8.240 nan 0.000 0.483 327 G N 0.229 109.096 108.800 0.112 0.000 2.155 327 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.257 327 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.257 327 G C 0.508 175.592 174.900 0.307 0.000 0.983 327 G CA 0.267 45.594 45.100 0.378 0.000 0.676 327 G HN 0.902 nan 8.290 nan 0.000 0.528 328 A N -0.968 121.969 122.820 0.195 0.000 2.606 328 A HA 0.712 5.032 4.320 -0.000 0.000 0.290 328 A C 0.286 177.984 177.584 0.190 0.000 1.174 328 A CA 0.285 52.442 52.037 0.201 0.000 0.958 328 A CB 0.409 19.489 19.000 0.134 0.000 1.194 328 A HN 1.124 nan 8.150 nan 0.000 0.526 329 L N 0.513 121.804 121.223 0.112 0.000 2.272 329 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 329 L C 0.784 177.600 176.870 -0.089 0.000 1.045 329 L CA -0.107 54.730 54.840 -0.006 0.000 0.842 329 L CB 0.797 42.788 42.059 -0.113 0.000 1.224 329 L HN 0.239 nan 8.230 nan 0.000 0.430 330 E N 3.312 123.551 120.200 0.065 0.000 2.031 330 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 330 E C 0.219 176.774 176.600 -0.076 0.000 0.994 330 E CA 1.494 57.930 56.400 0.060 0.000 0.800 330 E CB -0.015 29.800 29.700 0.191 0.000 0.752 330 E HN 0.694 nan 8.360 nan 0.000 0.447 331 A N -0.676 122.110 122.820 -0.056 0.000 2.612 331 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 331 A C -1.417 176.124 177.584 -0.072 0.000 1.075 331 A CA -0.656 51.340 52.037 -0.069 0.000 0.680 331 A CB 1.298 20.276 19.000 -0.036 0.000 1.279 331 A HN 0.092 nan 8.150 nan 0.000 0.411 332 M N 2.359 121.914 119.600 -0.075 0.000 2.093 332 M HA 0.530 5.010 4.480 -0.000 0.000 0.297 332 M C -1.806 174.454 176.300 -0.067 0.000 0.938 332 M CA -0.556 54.700 55.300 -0.075 0.000 0.920 332 M CB 1.214 33.766 32.600 -0.081 0.000 1.517 332 M HN 0.443 nan 8.290 nan 0.000 0.427 333 V N 6.057 125.926 119.914 -0.076 0.000 2.385 333 V HA 0.445 4.565 4.120 -0.000 0.000 0.269 333 V C -0.100 175.942 176.094 -0.087 0.000 1.043 333 V CA -0.708 61.541 62.300 -0.085 0.000 0.906 333 V CB 0.791 32.549 31.823 -0.108 0.000 0.995 333 V HN 0.667 nan 8.190 nan 0.000 0.467 334 V N 2.029 121.905 119.914 -0.065 0.000 2.628 334 V HA 0.710 4.829 4.120 -0.000 0.000 0.306 334 V C 0.191 176.261 176.094 -0.040 0.000 1.045 334 V CA -0.456 61.817 62.300 -0.046 0.000 0.905 334 V CB 1.932 33.747 31.823 -0.014 0.000 0.997 334 V HN 0.770 nan 8.190 nan 0.000 0.436 335 D N 3.633 124.011 120.400 -0.036 0.000 2.999 335 D HA 0.206 4.846 4.640 -0.000 0.000 0.273 335 D C 0.182 176.504 176.300 0.036 0.000 1.485 335 D CA 0.370 54.357 54.000 -0.021 0.000 1.101 335 D CB 0.908 41.666 40.800 -0.070 0.000 1.109 335 D HN 0.494 nan 8.370 nan 0.000 0.368 336 V N 1.708 121.650 119.914 0.045 0.000 2.841 336 V HA 0.281 4.401 4.120 -0.000 0.000 0.310 336 V C -1.040 175.084 176.094 0.049 0.000 1.090 336 V CA -0.903 61.429 62.300 0.054 0.000 0.930 336 V CB 1.614 33.471 31.823 0.057 0.000 1.014 336 V HN 0.623 nan 8.190 nan 0.000 0.425 337 Q N 3.032 122.836 119.800 0.005 0.000 3.245 337 Q HA -0.266 4.074 4.340 -0.000 0.000 0.028 337 Q C 0.183 176.220 176.000 0.063 0.000 1.716 337 Q CA 0.401 56.178 55.803 -0.043 0.000 0.237 337 Q CB -1.575 27.027 28.738 -0.228 0.000 0.589 337 Q HN 1.421 nan 8.270 nan 0.000 0.323 338 C N 1.102 120.434 119.300 0.053 0.000 4.497 338 C HA -0.168 4.292 4.460 -0.000 0.000 0.292 338 C C 0.365 175.493 174.990 0.230 0.000 1.366 338 C CA 0.773 59.879 59.018 0.147 0.000 1.987 338 C CB -2.388 25.473 27.740 0.201 0.000 1.241 338 C HN 0.561 nan 8.230 nan 0.000 0.788 339 I N 0.587 121.242 120.570 0.142 0.000 2.354 339 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 339 I C 0.532 176.689 176.117 0.067 0.000 1.007 339 I CA -0.267 61.086 61.300 0.089 0.000 1.167 339 I CB 0.893 38.926 38.000 0.055 0.000 1.320 339 I HN 0.213 nan 8.210 nan 0.000 0.458 340 M N 7.663 127.279 119.600 0.027 0.000 2.252 340 M HA 0.112 4.592 4.480 -0.000 0.000 0.348 340 M C -1.509 174.785 176.300 -0.010 0.000 1.334 340 M CA -1.029 54.265 55.300 -0.009 0.000 1.071 340 M CB 0.256 32.791 32.600 -0.108 0.000 1.763 340 M HN 0.256 nan 8.290 nan 0.000 0.452 341 P HA -0.068 nan 4.420 nan 0.000 0.234 341 P C 0.953 178.249 177.300 -0.007 0.000 1.167 341 P CA 0.804 63.906 63.100 0.002 0.000 0.763 341 P CB 0.037 31.742 31.700 0.008 0.000 0.835 342 S N -1.162 114.525 115.700 -0.022 0.000 2.461 342 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 342 S C 1.853 176.438 174.600 -0.024 0.000 1.005 342 S CA 0.417 58.603 58.200 -0.023 0.000 0.942 342 S CB -1.225 61.951 63.200 -0.040 0.000 0.776 342 S HN -0.073 nan 8.310 nan 0.000 0.514 343 L N 2.381 123.582 121.223 -0.036 0.000 2.010 343 L HA -0.081 4.259 4.340 -0.000 0.000 0.219 343 L C -0.309 176.546 176.870 -0.024 0.000 1.077 343 L CA 2.284 57.098 54.840 -0.042 0.000 0.773 343 L CB -2.813 39.218 42.059 -0.046 0.000 0.892 343 L HN 0.253 nan 8.230 nan 0.000 0.436 344 P HA -0.184 nan 4.420 nan 0.000 0.215 344 P C 1.754 179.064 177.300 0.017 0.000 1.163 344 P CA 1.595 64.698 63.100 0.005 0.000 0.894 344 P CB -0.134 31.574 31.700 0.012 0.000 0.791 345 R N -0.847 119.664 120.500 0.020 0.000 2.103 345 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 345 R C 2.247 178.579 176.300 0.055 0.000 1.132 345 R CA 1.631 57.752 56.100 0.035 0.000 0.925 345 R CB -1.696 28.621 30.300 0.029 0.000 0.842 345 R HN 0.143 nan 8.270 nan 0.000 0.430 346 I N 1.416 122.011 120.570 0.040 0.000 2.181 346 I HA -0.323 3.847 4.170 -0.000 0.000 0.247 346 I C 2.573 178.749 176.117 0.099 0.000 1.081 346 I CA 1.901 63.237 61.300 0.061 0.000 1.340 346 I CB -0.640 37.356 38.000 -0.006 0.000 1.036 346 I HN 0.277 nan 8.210 nan 0.000 0.417 347 A N -0.140 122.701 122.820 0.035 0.000 2.014 347 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 347 A C 2.360 180.028 177.584 0.141 0.000 1.163 347 A CA 1.629 53.687 52.037 0.035 0.000 0.652 347 A CB -1.078 17.900 19.000 -0.036 0.000 0.808 347 A HN 0.455 nan 8.150 nan 0.000 0.449 348 E N -0.950 119.317 120.200 0.112 0.000 2.267 348 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 348 E C 1.682 178.363 176.600 0.135 0.000 0.998 348 E CA 1.557 58.018 56.400 0.102 0.000 0.830 348 E CB -1.584 28.156 29.700 0.067 0.000 0.751 348 E HN 0.743 nan 8.360 nan 0.000 0.491 349 C N -0.727 118.705 119.300 0.220 0.000 2.500 349 C HA 0.396 4.856 4.460 -0.000 0.000 0.273 349 C C 0.827 175.848 174.990 0.052 0.000 1.428 349 C CA -0.380 58.724 59.018 0.143 0.000 1.766 349 C CB -1.354 26.491 27.740 0.175 0.000 1.817 349 C HN 0.570 nan 8.230 nan 0.000 0.543 350 F N -0.497 119.484 119.950 0.051 0.000 3.145 350 F HA 0.319 4.846 4.527 -0.000 0.000 0.324 350 F C 1.729 177.611 175.800 0.137 0.000 1.467 350 F CA -0.539 57.532 58.000 0.118 0.000 1.048 350 F CB -0.372 38.715 39.000 0.145 0.000 1.698 350 F HN -0.001 nan 8.300 nan 0.000 0.427 351 H N -1.873 117.350 119.070 0.255 0.000 2.654 351 H HA 0.245 4.801 4.556 -0.000 0.000 0.264 351 H C -0.024 175.362 175.328 0.096 0.000 0.954 351 H CA 0.490 56.612 56.048 0.124 0.000 1.199 351 H CB -1.430 28.384 29.762 0.086 0.000 1.446 351 H HN 0.256 nan 8.280 nan 0.000 0.516 352 T N 3.624 117.869 114.554 -0.514 0.000 2.903 352 T HA -0.023 4.327 4.350 -0.000 0.000 0.299 352 T C 0.305 174.910 174.700 -0.158 0.000 1.041 352 T CA 0.370 62.222 62.100 -0.414 0.000 1.138 352 T CB 0.757 69.416 68.868 -0.348 0.000 1.040 352 T HN 0.312 nan 8.240 nan 0.000 0.524 353 Q N 1.984 121.712 119.800 -0.121 0.000 2.293 353 Q HA 0.390 4.729 4.340 -0.000 0.000 0.261 353 Q C -0.472 175.497 176.000 -0.052 0.000 0.960 353 Q CA -0.673 55.098 55.803 -0.053 0.000 0.882 353 Q CB 1.838 30.560 28.738 -0.026 0.000 1.275 353 Q HN 0.483 nan 8.270 nan 0.000 0.445 354 I N 4.626 125.178 120.570 -0.030 0.000 2.310 354 I HA 0.319 4.488 4.170 -0.000 0.000 0.287 354 I C 0.131 176.245 176.117 -0.006 0.000 1.073 354 I CA -0.418 60.866 61.300 -0.026 0.000 1.216 354 I CB 0.199 38.189 38.000 -0.017 0.000 1.415 354 I HN 0.466 nan 8.210 nan 0.000 0.480 355 I N 6.281 126.840 120.570 -0.018 0.000 2.297 355 I HA 0.159 4.329 4.170 -0.000 0.000 0.291 355 I C 0.859 176.966 176.117 -0.016 0.000 1.033 355 I CA -0.373 60.918 61.300 -0.015 0.000 1.253 355 I CB 1.173 39.152 38.000 -0.034 0.000 1.396 355 I HN 0.503 nan 8.210 nan 0.000 0.476 356 T N 0.766 115.338 114.554 0.030 0.000 2.899 356 T HA 0.372 4.722 4.350 -0.000 0.000 0.284 356 T C 0.838 175.502 174.700 -0.061 0.000 1.004 356 T CA -0.202 61.941 62.100 0.071 0.000 1.043 356 T CB 1.717 70.728 68.868 0.238 0.000 1.013 356 T HN 0.730 nan 8.240 nan 0.000 0.518 357 T N -3.080 111.456 114.554 -0.030 0.000 2.993 357 T HA 0.221 4.571 4.350 -0.000 0.000 0.260 357 T C 0.089 174.817 174.700 0.046 0.000 0.939 357 T CA -0.267 61.763 62.100 -0.117 0.000 0.886 357 T CB 0.164 68.984 68.868 -0.080 0.000 1.209 357 T HN 0.687 nan 8.240 nan 0.000 0.518 358 D N 1.273 121.777 120.400 0.174 0.000 2.177 358 D HA 0.310 4.950 4.640 -0.000 0.000 0.247 358 D C 0.693 177.142 176.300 0.249 0.000 1.063 358 D CA -0.382 53.725 54.000 0.178 0.000 0.867 358 D CB 1.917 42.794 40.800 0.128 0.000 1.168 358 D HN 0.053 nan 8.370 nan 0.000 0.445 359 K N 1.494 121.986 120.400 0.153 0.000 2.103 359 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 359 K C 0.651 177.390 176.600 0.232 0.000 1.048 359 K CA 1.014 57.381 56.287 0.133 0.000 0.930 359 K CB -0.014 32.501 32.500 0.025 0.000 0.716 359 K HN 0.452 nan 8.250 nan 0.000 0.444 360 H N -0.338 118.781 119.070 0.081 0.000 2.605 360 H HA 0.187 4.743 4.556 -0.000 0.000 0.308 360 H C -0.247 175.113 175.328 0.054 0.000 1.080 360 H CA -0.119 55.964 56.048 0.057 0.000 1.119 360 H CB -0.224 29.579 29.762 0.069 0.000 1.479 360 H HN 0.091 nan 8.280 nan 0.000 0.537 361 N N 1.139 119.943 118.700 0.173 0.000 2.679 361 N HA 0.028 4.768 4.740 -0.000 0.000 0.240 361 N C -1.048 174.525 175.510 0.104 0.000 1.537 361 N CA -0.104 53.019 53.050 0.122 0.000 0.793 361 N CB 0.599 39.161 38.487 0.125 0.000 1.391 361 N HN 0.169 nan 8.380 nan 0.000 0.524 362 K N 1.179 121.607 120.400 0.047 0.000 2.138 362 K HA 0.565 4.885 4.320 -0.000 0.000 0.263 362 K C -0.210 176.401 176.600 0.018 0.000 0.965 362 K CA -0.476 55.818 56.287 0.010 0.000 0.868 362 K CB 2.149 34.584 32.500 -0.107 0.000 1.083 362 K HN 0.219 nan 8.250 nan 0.000 0.443 363 I N 1.527 122.116 120.570 0.032 0.000 2.418 363 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 363 I C -0.160 175.968 176.117 0.020 0.000 1.008 363 I CA -0.751 60.563 61.300 0.024 0.000 1.104 363 I CB 2.044 40.062 38.000 0.029 0.000 1.264 363 I HN 0.471 nan 8.210 nan 0.000 0.438 364 S N 4.408 120.114 115.700 0.011 0.000 2.546 364 S HA 0.306 4.776 4.470 -0.000 0.000 0.290 364 S C 1.069 175.679 174.600 0.017 0.000 1.262 364 S CA 0.835 59.041 58.200 0.011 0.000 1.083 364 S CB 0.547 63.752 63.200 0.008 0.000 0.859 364 S HN 1.138 nan 8.310 nan 0.000 0.495 365 G N 2.164 110.977 108.800 0.021 0.000 2.376 365 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.208 365 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.208 365 G C 0.253 175.171 174.900 0.030 0.000 1.032 365 G CA -0.164 44.950 45.100 0.024 0.000 0.641 365 G HN 1.138 nan 8.290 nan 0.000 0.503 366 A N 0.715 123.556 122.820 0.035 0.000 2.346 366 A HA 0.653 4.972 4.320 -0.000 0.000 0.252 366 A C 0.858 178.479 177.584 0.061 0.000 1.089 366 A CA 1.323 53.386 52.037 0.043 0.000 0.797 366 A CB 0.107 19.137 19.000 0.051 0.000 1.047 366 A HN 1.704 nan 8.150 nan 0.000 0.494 367 T N -0.586 114.004 114.554 0.060 0.000 2.749 367 T HA 0.465 4.815 4.350 -0.000 0.000 0.287 367 T C -0.409 174.354 174.700 0.103 0.000 0.970 367 T CA -0.302 61.842 62.100 0.074 0.000 0.980 367 T CB 0.514 69.410 68.868 0.047 0.000 0.924 367 T HN 0.645 nan 8.240 nan 0.000 0.456 368 H N 2.193 121.278 119.070 0.024 0.000 2.620 368 H HA 0.530 5.086 4.556 -0.000 0.000 0.313 368 H C -0.791 174.560 175.328 0.037 0.000 1.075 368 H CA -0.352 55.714 56.048 0.031 0.000 1.397 368 H CB 0.676 30.458 29.762 0.033 0.000 1.446 368 H HN 0.525 nan 8.280 nan 0.000 0.493 369 V N 8.564 128.267 119.914 -0.351 0.000 2.380 369 V HA 0.218 4.338 4.120 -0.000 0.000 0.268 369 V C -2.256 173.675 176.094 -0.271 0.000 1.008 369 V CA -1.694 60.489 62.300 -0.195 0.000 0.823 369 V CB 0.960 32.736 31.823 -0.077 0.000 1.053 369 V HN 0.841 nan 8.190 nan 0.000 0.446 370 P HA -0.065 nan 4.420 nan 0.000 0.260 370 P C -0.610 176.713 177.300 0.039 0.000 1.172 370 P CA 0.335 63.386 63.100 -0.082 0.000 0.760 370 P CB 0.064 31.790 31.700 0.044 0.000 0.773 371 F N 4.678 124.578 119.950 -0.083 0.000 2.368 371 F HA 0.200 4.727 4.527 -0.000 0.000 0.362 371 F C 0.209 176.010 175.800 0.001 0.000 1.137 371 F CA -0.731 57.246 58.000 -0.037 0.000 1.161 371 F CB 0.134 39.111 39.000 -0.038 0.000 1.265 371 F HN 0.171 nan 8.300 nan 0.000 0.530 372 D N 5.262 125.428 120.400 -0.390 0.000 2.359 372 D HA 0.075 4.715 4.640 -0.000 0.000 0.230 372 D C 0.673 176.636 176.300 -0.562 0.000 1.118 372 D CA -0.081 53.720 54.000 -0.331 0.000 0.844 372 D CB 1.198 41.930 40.800 -0.115 0.000 1.059 372 D HN 0.622 nan 8.370 nan 0.000 0.493 373 E N 1.901 121.777 120.200 -0.541 0.000 2.130 373 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 373 E C 1.261 177.768 176.600 -0.155 0.000 0.998 373 E CA 1.415 57.608 56.400 -0.344 0.000 0.806 373 E CB -0.271 29.344 29.700 -0.142 0.000 0.738 373 E HN 0.640 nan 8.360 nan 0.000 0.459 374 H N -0.090 118.931 119.070 -0.082 0.000 2.543 374 H HA 0.052 4.608 4.556 -0.000 0.000 0.286 374 H C 0.348 175.640 175.328 -0.060 0.000 1.037 374 H CA 0.987 57.005 56.048 -0.049 0.000 1.250 374 H CB 0.199 29.925 29.762 -0.061 0.000 1.373 374 H HN -0.035 nan 8.280 nan 0.000 0.580 375 K N -0.480 119.899 120.400 -0.034 0.000 3.012 375 K HA 0.337 4.657 4.320 -0.000 0.000 0.207 375 K C 0.849 177.377 176.600 -0.119 0.000 1.130 375 K CA 0.145 56.402 56.287 -0.050 0.000 1.021 375 K CB 1.308 33.789 32.500 -0.030 0.000 0.736 375 K HN 0.117 nan 8.250 nan 0.000 0.448 376 A N 0.723 123.438 122.820 -0.176 0.000 1.848 376 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 376 A C 2.045 179.666 177.584 0.063 0.000 1.220 376 A CA 1.994 53.968 52.037 -0.105 0.000 0.645 376 A CB -0.789 18.138 19.000 -0.122 0.000 0.842 376 A HN 0.110 nan 8.150 nan 0.000 0.451 377 V N 0.249 120.158 119.914 -0.008 0.000 2.370 377 V HA -0.343 3.777 4.120 -0.000 0.000 0.252 377 V C 2.433 178.542 176.094 0.025 0.000 1.068 377 V CA 2.558 64.864 62.300 0.009 0.000 1.061 377 V CB -1.115 30.695 31.823 -0.022 0.000 0.656 377 V HN 0.654 nan 8.190 nan 0.000 0.455 378 E N -0.211 119.997 120.200 0.014 0.000 2.077 378 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 378 E C 2.328 178.950 176.600 0.036 0.000 0.989 378 E CA 1.806 58.216 56.400 0.017 0.000 0.800 378 E CB -0.282 29.421 29.700 0.006 0.000 0.746 378 E HN 0.607 nan 8.360 nan 0.000 0.452 379 T N 0.785 115.374 114.554 0.058 0.000 2.857 379 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 379 T C 1.965 176.740 174.700 0.125 0.000 1.048 379 T CA 0.949 63.111 62.100 0.103 0.000 1.139 379 T CB -0.162 68.807 68.868 0.168 0.000 0.874 379 T HN 0.228 nan 8.240 nan 0.000 0.455 380 A N 2.161 125.069 122.820 0.147 0.000 1.883 380 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 380 A C 2.248 179.855 177.584 0.038 0.000 1.186 380 A CA 1.773 53.864 52.037 0.089 0.000 0.624 380 A CB -0.509 18.538 19.000 0.078 0.000 0.822 380 A HN 0.460 nan 8.150 nan 0.000 0.444 381 K N -0.955 119.465 120.400 0.033 0.000 2.063 381 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 381 K C 2.142 178.752 176.600 0.017 0.000 1.048 381 K CA 1.829 58.126 56.287 0.016 0.000 0.928 381 K CB -0.494 32.013 32.500 0.013 0.000 0.713 381 K HN 0.521 nan 8.250 nan 0.000 0.442 382 T N 1.735 116.304 114.554 0.025 0.000 2.684 382 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 382 T C 1.932 176.643 174.700 0.018 0.000 1.036 382 T CA 1.350 63.464 62.100 0.022 0.000 1.148 382 T CB -0.243 68.640 68.868 0.026 0.000 0.863 382 T HN 0.141 nan 8.240 nan 0.000 0.436 383 I N 0.632 121.212 120.570 0.017 0.000 2.142 383 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 383 I C 2.315 178.430 176.117 -0.002 0.000 1.078 383 I CA 1.410 62.712 61.300 0.002 0.000 1.343 383 I CB -0.465 37.529 38.000 -0.010 0.000 1.046 383 I HN 0.201 nan 8.210 nan 0.000 0.405 384 I N 0.211 120.778 120.570 -0.005 0.000 2.361 384 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 384 I C 2.678 178.796 176.117 0.001 0.000 1.133 384 I CA 1.086 62.380 61.300 -0.011 0.000 1.413 384 I CB -0.351 37.638 38.000 -0.018 0.000 1.073 384 I HN 0.168 nan 8.210 nan 0.000 0.424 385 R N 0.640 121.145 120.500 0.008 0.000 2.081 385 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 385 R C 2.246 178.564 176.300 0.030 0.000 1.131 385 R CA 1.515 57.625 56.100 0.017 0.000 0.960 385 R CB -0.519 29.792 30.300 0.018 0.000 0.856 385 R HN 0.275 nan 8.270 nan 0.000 0.436 386 M N -0.640 118.976 119.600 0.026 0.000 2.195 386 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 386 M C 2.111 178.439 176.300 0.048 0.000 1.066 386 M CA 1.931 57.251 55.300 0.033 0.000 1.089 386 M CB -0.261 32.352 32.600 0.021 0.000 1.377 386 M HN 0.248 nan 8.290 nan 0.000 0.411 387 A N 0.479 123.324 122.820 0.041 0.000 1.874 387 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 387 A C 1.972 179.621 177.584 0.108 0.000 1.189 387 A CA 0.991 53.064 52.037 0.061 0.000 0.615 387 A CB -0.718 18.297 19.000 0.026 0.000 0.830 387 A HN 0.449 nan 8.150 nan 0.000 0.443 388 I N 0.018 120.629 120.570 0.069 0.000 2.657 388 I HA -0.260 3.910 4.170 -0.000 0.000 0.261 388 I C 2.635 178.847 176.117 0.159 0.000 1.212 388 I CA 0.805 62.152 61.300 0.078 0.000 1.453 388 I CB -0.246 37.765 38.000 0.020 0.000 1.092 388 I HN 0.386 nan 8.210 nan 0.000 0.452 389 A N 0.795 123.693 122.820 0.130 0.000 1.862 389 A HA 0.134 4.454 4.320 -0.000 0.000 0.211 389 A C 2.546 180.223 177.584 0.155 0.000 1.220 389 A CA 0.968 53.079 52.037 0.124 0.000 0.616 389 A CB -0.825 18.224 19.000 0.082 0.000 0.878 389 A HN 0.328 nan 8.150 nan 0.000 0.453 390 A N -1.150 121.765 122.820 0.159 0.000 2.139 390 A HA -0.096 4.224 4.320 -0.000 0.000 0.221 390 A C 1.895 179.653 177.584 0.290 0.000 1.159 390 A CA 1.621 53.778 52.037 0.201 0.000 0.662 390 A CB -0.802 18.296 19.000 0.163 0.000 0.796 390 A HN 0.692 nan 8.150 nan 0.000 0.463 391 F N 1.048 121.072 119.950 0.123 0.000 2.075 391 F HA -0.017 4.510 4.527 -0.000 0.000 0.297 391 F C 2.156 177.980 175.800 0.041 0.000 1.113 391 F CA 1.647 59.705 58.000 0.097 0.000 1.218 391 F CB -0.758 38.276 39.000 0.058 0.000 0.984 391 F HN 0.183 nan 8.300 nan 0.000 0.472 392 G N -0.507 108.275 108.800 -0.030 0.000 2.776 392 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.209 392 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.209 392 G C 1.585 176.402 174.900 -0.138 0.000 1.145 392 G CA 0.237 45.246 45.100 -0.151 0.000 0.791 392 G HN 0.388 nan 8.290 nan 0.000 0.530 393 R N -0.311 120.131 120.500 -0.097 0.000 2.437 393 R HA 0.215 4.555 4.340 -0.000 0.000 0.257 393 R C 1.113 177.299 176.300 -0.190 0.000 0.927 393 R CA -0.610 55.453 56.100 -0.062 0.000 1.078 393 R CB 0.129 30.462 30.300 0.057 0.000 1.161 393 R HN 0.238 nan 8.270 nan 0.000 0.529 394 R N 0.924 121.173 120.500 -0.418 0.000 2.491 394 R HA -0.015 4.325 4.340 -0.000 0.000 0.283 394 R C -0.746 175.276 176.300 -0.463 0.000 1.072 394 R CA -0.088 55.514 56.100 -0.830 0.000 1.048 394 R CB 0.577 30.432 30.300 -0.741 0.000 0.983 394 R HN -0.083 nan 8.270 nan 0.000 0.450 395 D N 5.765 125.941 120.400 -0.374 0.000 2.338 395 D HA 0.062 4.702 4.640 -0.000 0.000 0.255 395 D C -1.472 174.739 176.300 -0.149 0.000 1.237 395 D CA -2.033 51.855 54.000 -0.186 0.000 0.883 395 D CB 1.520 42.251 40.800 -0.115 0.000 1.087 395 D HN 0.488 nan 8.370 nan 0.000 0.485 396 P HA -0.071 nan 4.420 nan 0.000 0.223 396 P C 0.411 177.681 177.300 -0.050 0.000 1.151 396 P CA 0.583 63.626 63.100 -0.095 0.000 0.787 396 P CB 0.548 32.191 31.700 -0.094 0.000 0.788 397 N N -0.183 118.488 118.700 -0.049 0.000 2.280 397 N HA 0.083 4.823 4.740 -0.000 0.000 0.192 397 N C 1.379 176.878 175.510 -0.018 0.000 1.109 397 N CA 0.173 53.206 53.050 -0.030 0.000 0.855 397 N CB 0.249 38.715 38.487 -0.034 0.000 0.974 397 N HN 0.301 nan 8.380 nan 0.000 0.482 398 R N -0.050 120.444 120.500 -0.011 0.000 2.446 398 R HA 0.229 4.569 4.340 -0.000 0.000 0.254 398 R C 0.236 176.588 176.300 0.086 0.000 0.918 398 R CA -0.126 55.987 56.100 0.021 0.000 1.069 398 R CB 0.866 31.158 30.300 -0.014 0.000 1.194 398 R HN -0.101 nan 8.270 nan 0.000 0.534 399 V N 1.608 121.561 119.914 0.065 0.000 3.032 399 V HA 0.207 4.327 4.120 -0.000 0.000 0.307 399 V C 0.375 176.518 176.094 0.083 0.000 1.097 399 V CA 0.411 62.763 62.300 0.086 0.000 1.191 399 V CB 1.233 33.088 31.823 0.053 0.000 0.964 399 V HN 0.357 nan 8.190 nan 0.000 0.494 400 A N 5.711 128.586 122.820 0.092 0.000 2.480 400 A HA 0.550 4.870 4.320 -0.000 0.000 0.302 400 A C -1.014 176.618 177.584 0.081 0.000 1.151 400 A CA -0.493 51.593 52.037 0.082 0.000 0.907 400 A CB 0.187 19.238 19.000 0.086 0.000 1.487 400 A HN 0.630 nan 8.150 nan 0.000 0.396 401 I N 2.963 123.581 120.570 0.080 0.000 2.359 401 I HA 0.333 4.503 4.170 -0.000 0.000 0.284 401 I C -2.103 174.081 176.117 0.112 0.000 1.018 401 I CA -1.929 59.421 61.300 0.084 0.000 1.173 401 I CB 1.502 39.547 38.000 0.076 0.000 1.326 401 I HN 0.361 nan 8.210 nan 0.000 0.462 402 P HA -0.014 nan 4.420 nan 0.000 0.266 402 P C 0.624 178.084 177.300 0.268 0.000 1.186 402 P CA 0.044 63.321 63.100 0.294 0.000 0.767 402 P CB 0.878 32.784 31.700 0.344 0.000 0.820 403 A N 2.628 125.553 122.820 0.176 0.000 2.014 403 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 403 A C 0.670 178.265 177.584 0.018 0.000 1.163 403 A CA 0.230 52.273 52.037 0.009 0.000 0.652 403 A CB -1.141 17.780 19.000 -0.133 0.000 0.808 403 A HN 0.585 nan 8.150 nan 0.000 0.449 404 F N 0.630 120.589 119.950 0.016 0.000 2.374 404 F HA -0.026 4.500 4.527 -0.000 0.000 0.405 404 F C 0.964 176.777 175.800 0.022 0.000 0.976 404 F CA 1.049 59.059 58.000 0.018 0.000 1.037 404 F CB 0.008 39.016 39.000 0.015 0.000 0.888 404 F HN 0.161 nan 8.300 nan 0.000 0.519 405 K N 3.472 123.954 120.400 0.138 0.000 2.950 405 K HA 0.145 4.465 4.320 -0.000 0.000 0.199 405 K C -0.683 175.969 176.600 0.087 0.000 1.144 405 K CA -0.778 55.571 56.287 0.103 0.000 0.983 405 K CB 0.506 33.046 32.500 0.068 0.000 1.187 405 K HN 0.482 nan 8.250 nan 0.000 0.595 406 Q N 2.705 122.570 119.800 0.107 0.000 2.311 406 Q HA 0.098 4.438 4.340 -0.000 0.000 0.272 406 Q C -0.954 175.098 176.000 0.086 0.000 1.012 406 Q CA 0.501 56.361 55.803 0.095 0.000 0.891 406 Q CB 0.792 29.595 28.738 0.108 0.000 1.201 406 Q HN 0.182 nan 8.270 nan 0.000 0.391 407 K N 1.427 121.873 120.400 0.077 0.000 2.185 407 K HA 0.537 4.857 4.320 -0.000 0.000 0.271 407 K C -0.902 175.752 176.600 0.091 0.000 1.013 407 K CA -0.075 56.258 56.287 0.077 0.000 0.943 407 K CB 1.232 33.771 32.500 0.065 0.000 0.998 407 K HN 0.662 nan 8.250 nan 0.000 0.468 408 S N 1.385 117.146 115.700 0.102 0.000 2.540 408 S HA 0.535 5.004 4.470 -0.000 0.000 0.275 408 S C -0.744 173.941 174.600 0.141 0.000 1.123 408 S CA -0.792 57.483 58.200 0.125 0.000 0.907 408 S CB 1.007 64.297 63.200 0.150 0.000 1.081 408 S HN 0.389 nan 8.310 nan 0.000 0.476 409 I N 3.118 123.788 120.570 0.166 0.000 2.330 409 I HA 0.441 4.611 4.170 -0.000 0.000 0.286 409 I C -0.046 176.282 176.117 0.352 0.000 1.025 409 I CA -0.575 60.860 61.300 0.226 0.000 1.197 409 I CB 0.832 38.974 38.000 0.236 0.000 1.358 409 I HN 0.514 nan 8.210 nan 0.000 0.467 410 V N 2.018 122.118 119.914 0.310 0.000 3.182 410 V HA 0.970 5.090 4.120 -0.000 0.000 0.311 410 V C 0.632 176.837 176.094 0.185 0.000 1.221 410 V CA -0.289 62.218 62.300 0.346 0.000 1.060 410 V CB 1.302 33.223 31.823 0.164 0.000 1.164 410 V HN 0.883 nan 8.190 nan 0.000 0.466 411 G N -0.372 108.487 108.800 0.098 0.000 2.167 411 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.194 411 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.194 411 G C -0.594 174.192 174.900 -0.191 0.000 1.027 411 G CA 0.078 45.129 45.100 -0.082 0.000 0.717 411 G HN 0.955 nan 8.290 nan 0.000 0.501 412 F N 3.124 123.084 119.950 0.017 0.000 2.573 412 F HA 0.461 4.988 4.527 -0.000 0.000 0.349 412 F C 1.456 177.277 175.800 0.035 0.000 1.213 412 F CA -0.283 57.737 58.000 0.034 0.000 1.300 412 F CB 0.206 39.238 39.000 0.052 0.000 1.661 412 F HN 0.314 nan 8.300 nan 0.000 0.616 413 S N 0.293 116.034 115.700 0.068 0.000 2.589 413 S HA 0.409 4.879 4.470 -0.000 0.000 0.265 413 S C 1.523 176.171 174.600 0.080 0.000 1.342 413 S CA -0.327 57.914 58.200 0.067 0.000 1.005 413 S CB 1.319 64.533 63.200 0.023 0.000 0.909 413 S HN 0.529 nan 8.310 nan 0.000 0.555 414 A N 0.812 123.675 122.820 0.072 0.000 1.978 414 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 414 A C 2.006 179.621 177.584 0.051 0.000 1.170 414 A CA 1.834 53.911 52.037 0.067 0.000 0.636 414 A CB -1.090 17.943 19.000 0.054 0.000 0.810 414 A HN 0.892 nan 8.150 nan 0.000 0.448 415 E N 0.088 120.310 120.200 0.036 0.000 2.017 415 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 415 E C 2.350 178.955 176.600 0.010 0.000 0.997 415 E CA 1.438 57.850 56.400 0.021 0.000 0.804 415 E CB -0.624 29.084 29.700 0.012 0.000 0.757 415 E HN 0.538 nan 8.360 nan 0.000 0.448 416 A N 0.626 123.438 122.820 -0.013 0.000 1.927 416 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 416 A C 2.518 180.105 177.584 0.005 0.000 1.185 416 A CA 1.901 53.903 52.037 -0.058 0.000 0.639 416 A CB -0.993 17.904 19.000 -0.171 0.000 0.820 416 A HN 0.160 nan 8.150 nan 0.000 0.451 417 V N -0.576 119.386 119.914 0.080 0.000 2.343 417 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 417 V C 2.535 178.675 176.094 0.077 0.000 1.051 417 V CA 2.004 64.383 62.300 0.131 0.000 1.036 417 V CB -0.618 31.292 31.823 0.144 0.000 0.654 417 V HN 0.398 nan 8.190 nan 0.000 0.451 418 V N 0.147 120.092 119.914 0.051 0.000 2.548 418 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 418 V C 2.616 178.726 176.094 0.026 0.000 1.055 418 V CA 1.570 63.892 62.300 0.036 0.000 1.065 418 V CB -0.950 30.890 31.823 0.028 0.000 0.681 418 V HN 0.539 nan 8.190 nan 0.000 0.462 419 A N 0.264 123.095 122.820 0.018 0.000 1.898 419 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 419 A C 2.427 180.018 177.584 0.012 0.000 1.181 419 A CA 1.946 53.986 52.037 0.006 0.000 0.620 419 A CB -0.660 18.332 19.000 -0.013 0.000 0.819 419 A HN 0.537 nan 8.150 nan 0.000 0.442 420 A N -0.216 122.620 122.820 0.026 0.000 1.898 420 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 420 A C 2.056 179.664 177.584 0.040 0.000 1.181 420 A CA 1.362 53.424 52.037 0.041 0.000 0.620 420 A CB -0.614 18.436 19.000 0.083 0.000 0.819 420 A HN 0.456 nan 8.150 nan 0.000 0.442 421 L N -0.650 120.598 121.223 0.042 0.000 2.353 421 L HA -0.162 4.178 4.340 -0.000 0.000 0.220 421 L C 2.872 179.756 176.870 0.024 0.000 1.133 421 L CA 0.596 55.456 54.840 0.034 0.000 0.798 421 L CB -0.433 41.646 42.059 0.034 0.000 0.922 421 L HN 0.472 nan 8.230 nan 0.000 0.445 422 A N -0.177 122.655 122.820 0.020 0.000 1.897 422 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 422 A C 1.919 179.511 177.584 0.013 0.000 1.181 422 A CA 1.035 53.080 52.037 0.014 0.000 0.620 422 A CB -0.184 18.822 19.000 0.009 0.000 0.821 422 A HN 0.117 nan 8.150 nan 0.000 0.443 423 K N -0.647 119.761 120.400 0.015 0.000 2.699 423 K HA 0.178 4.498 4.320 -0.000 0.000 0.205 423 K C 0.619 177.228 176.600 0.016 0.000 1.008 423 K CA 0.604 56.899 56.287 0.014 0.000 1.100 423 K CB 0.032 32.541 32.500 0.015 0.000 0.878 423 K HN 0.272 nan 8.250 nan 0.000 0.496 424 V N -1.277 118.646 119.914 0.016 0.000 3.400 424 V HA 0.247 4.367 4.120 -0.000 0.000 0.281 424 V C -1.147 174.955 176.094 0.013 0.000 1.617 424 V CA -0.143 62.166 62.300 0.015 0.000 1.044 424 V CB -0.012 31.822 31.823 0.019 0.000 0.858 424 V HN 0.503 nan 8.190 nan 0.000 0.425 425 N N -0.321 118.386 118.700 0.012 0.000 4.193 425 N HA 0.221 4.961 4.740 -0.000 0.000 0.161 425 N C 0.449 175.965 175.510 0.009 0.000 1.406 425 N CA 0.609 53.664 53.050 0.010 0.000 0.884 425 N CB 0.658 39.151 38.487 0.010 0.000 1.738 425 N HN 0.148 nan 8.380 nan 0.000 0.780 426 A N 1.423 124.248 122.820 0.007 0.000 2.121 426 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 426 A C 1.454 179.041 177.584 0.005 0.000 1.154 426 A CA 1.306 53.346 52.037 0.006 0.000 0.679 426 A CB -0.070 18.932 19.000 0.004 0.000 0.795 426 A HN 0.727 nan 8.150 nan 0.000 0.458 427 D N 0.125 120.529 120.400 0.005 0.000 2.149 427 D HA -0.021 4.619 4.640 -0.000 0.000 0.206 427 D C -0.245 176.058 176.300 0.005 0.000 0.967 427 D CA 0.835 54.838 54.000 0.004 0.000 0.848 427 D CB -0.026 40.776 40.800 0.004 0.000 0.998 427 D HN 0.371 nan 8.370 nan 0.000 0.474 428 D N 0.413 120.817 120.400 0.007 0.000 2.400 428 D HA 0.166 4.806 4.640 -0.000 0.000 0.272 428 D C -1.930 174.376 176.300 0.010 0.000 1.220 428 D CA -1.350 52.654 54.000 0.007 0.000 0.897 428 D CB 2.340 43.144 40.800 0.006 0.000 1.134 428 D HN -0.122 nan 8.370 nan 0.000 0.507 429 P HA -0.130 nan 4.420 nan 0.000 0.217 429 P C 1.526 178.836 177.300 0.016 0.000 1.148 429 P CA 0.546 63.654 63.100 0.015 0.000 0.828 429 P CB 0.501 32.211 31.700 0.016 0.000 0.783 430 L N -0.860 120.372 121.223 0.014 0.000 2.313 430 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 430 L C 2.290 179.167 176.870 0.011 0.000 1.119 430 L CA 1.498 56.346 54.840 0.013 0.000 0.809 430 L CB -1.361 40.705 42.059 0.011 0.000 0.933 430 L HN -0.109 nan 8.230 nan 0.000 0.449 431 K N 1.184 121.590 120.400 0.010 0.000 2.000 431 K HA -0.181 4.139 4.320 -0.000 0.000 0.218 431 K C -0.634 175.972 176.600 0.009 0.000 1.053 431 K CA 2.254 58.546 56.287 0.008 0.000 0.946 431 K CB -1.568 30.937 32.500 0.008 0.000 0.723 431 K HN 0.179 nan 8.250 nan 0.000 0.446 432 P HA -0.224 nan 4.420 nan 0.000 0.216 432 P C 1.668 178.975 177.300 0.012 0.000 1.153 432 P CA 1.334 64.441 63.100 0.012 0.000 0.858 432 P CB -0.213 31.496 31.700 0.015 0.000 0.789 433 L N 0.051 121.282 121.223 0.014 0.000 2.046 433 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 433 L C 2.393 179.268 176.870 0.009 0.000 1.077 433 L CA 1.844 56.691 54.840 0.013 0.000 0.747 433 L CB -1.149 40.920 42.059 0.016 0.000 0.896 433 L HN -0.128 nan 8.230 nan 0.000 0.432 434 V N 0.684 120.602 119.914 0.007 0.000 2.261 434 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 434 V C 2.441 178.537 176.094 0.004 0.000 1.047 434 V CA 2.040 64.342 62.300 0.004 0.000 1.015 434 V CB -0.653 31.172 31.823 0.004 0.000 0.642 434 V HN 0.441 nan 8.190 nan 0.000 0.446 435 D N 0.456 120.859 120.400 0.005 0.000 2.156 435 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 435 D C 1.986 178.289 176.300 0.006 0.000 0.998 435 D CA 1.659 55.662 54.000 0.005 0.000 0.842 435 D CB -0.684 40.120 40.800 0.006 0.000 0.974 435 D HN 0.380 nan 8.370 nan 0.000 0.447 436 N N 0.489 119.194 118.700 0.007 0.000 2.247 436 N HA -0.132 4.608 4.740 -0.000 0.000 0.189 436 N C 1.928 177.442 175.510 0.007 0.000 1.009 436 N CA 0.572 53.627 53.050 0.009 0.000 0.872 436 N CB -0.131 38.362 38.487 0.011 0.000 0.980 436 N HN 0.110 nan 8.380 nan 0.000 0.436 437 V N 0.412 120.328 119.914 0.004 0.000 2.719 437 V HA -0.074 4.045 4.120 -0.000 0.000 0.252 437 V C 2.312 178.405 176.094 -0.002 0.000 1.065 437 V CA 0.723 63.023 62.300 -0.000 0.000 1.086 437 V CB -0.019 31.802 31.823 -0.004 0.000 0.700 437 V HN 0.039 nan 8.190 nan 0.000 0.467 438 V N 2.040 121.954 119.914 -0.001 0.000 2.407 438 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 438 V C 2.284 178.378 176.094 0.001 0.000 1.041 438 V CA 2.140 64.439 62.300 -0.002 0.000 1.040 438 V CB -0.923 30.899 31.823 -0.000 0.000 0.671 438 V HN 0.865 nan 8.190 nan 0.000 0.455 439 N N 0.655 119.358 118.700 0.004 0.000 2.300 439 N HA 0.152 4.892 4.740 -0.000 0.000 0.179 439 N C 1.371 176.887 175.510 0.010 0.000 1.016 439 N CA 1.676 54.730 53.050 0.007 0.000 0.876 439 N CB 0.056 38.548 38.487 0.008 0.000 0.979 439 N HN 0.426 nan 8.380 nan 0.000 0.432 440 G N -1.030 107.777 108.800 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 0.797 175.712 174.900 0.026 0.000 1.000 440 G CA 0.132 45.242 45.100 0.018 0.000 0.693 440 G HN 0.223 nan 8.290 nan 0.000 0.480 441 N N 0.319 119.031 118.700 0.021 0.000 2.094 441 N HA -0.060 4.680 4.740 -0.000 0.000 0.191 441 N C 0.849 176.375 175.510 0.027 0.000 1.023 441 N CA 1.290 54.354 53.050 0.023 0.000 0.857 441 N CB 0.123 38.620 38.487 0.017 0.000 1.013 441 N HN 0.497 nan 8.380 nan 0.000 0.426 442 I N 1.737 122.321 120.570 0.023 0.000 2.390 442 I HA 0.088 4.258 4.170 -0.000 0.000 0.283 442 I C 0.965 177.095 176.117 0.022 0.000 1.016 442 I CA -0.404 60.910 61.300 0.023 0.000 1.151 442 I CB 1.825 39.832 38.000 0.012 0.000 1.293 442 I HN -0.130 nan 8.210 nan 0.000 0.458 443 Q N 3.868 123.695 119.800 0.045 0.000 2.084 443 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 443 Q C 0.944 176.930 176.000 -0.023 0.000 0.978 443 Q CA 0.928 56.747 55.803 0.027 0.000 0.844 443 Q CB 0.308 29.119 28.738 0.121 0.000 0.898 443 Q HN 0.901 nan 8.270 nan 0.000 0.426 444 G N -1.182 107.615 108.800 -0.004 0.000 2.427 444 G HA2 0.494 4.454 3.960 -0.000 0.000 0.306 444 G HA3 0.494 4.454 3.960 -0.000 0.000 0.306 444 G C -1.631 173.254 174.900 -0.024 0.000 1.280 444 G CA -0.845 44.236 45.100 -0.031 0.000 0.837 444 G HN 0.038 nan 8.290 nan 0.000 0.482 445 I N 0.075 120.617 120.570 -0.045 0.000 2.533 445 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 445 I C -0.729 175.326 176.117 -0.103 0.000 1.056 445 I CA -1.182 60.083 61.300 -0.059 0.000 1.057 445 I CB 2.219 40.191 38.000 -0.047 0.000 1.240 445 I HN 0.365 nan 8.210 nan 0.000 0.423 446 V N 7.352 127.174 119.914 -0.153 0.000 2.459 446 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 446 V C -0.861 175.029 176.094 -0.341 0.000 1.029 446 V CA -0.535 61.588 62.300 -0.295 0.000 0.874 446 V CB 2.059 33.621 31.823 -0.434 0.000 0.985 446 V HN 0.542 nan 8.190 nan 0.000 0.438 447 L N 7.370 128.403 121.223 -0.316 0.000 2.276 447 L HA 0.559 4.898 4.340 -0.000 0.000 0.286 447 L C -1.211 175.523 176.870 -0.226 0.000 1.024 447 L CA -0.351 54.374 54.840 -0.192 0.000 0.826 447 L CB 1.119 43.129 42.059 -0.083 0.000 1.211 447 L HN 0.629 nan 8.230 nan 0.000 0.422 448 F N 5.250 125.230 119.950 0.049 0.000 2.404 448 F HA 0.414 4.941 4.527 -0.000 0.000 0.358 448 F C 0.457 176.255 175.800 -0.004 0.000 1.120 448 F CA -0.469 57.578 58.000 0.079 0.000 1.144 448 F CB 1.587 40.709 39.000 0.204 0.000 1.133 448 F HN 0.297 nan 8.300 nan 0.000 0.495 449 V N 1.147 121.171 119.914 0.183 0.000 3.102 449 V HA 1.087 5.207 4.120 -0.000 0.000 0.312 449 V C -0.305 175.851 176.094 0.103 0.000 1.135 449 V CA -0.421 61.923 62.300 0.073 0.000 1.022 449 V CB 1.367 33.203 31.823 0.020 0.000 1.056 449 V HN 1.111 nan 8.190 nan 0.000 0.436 450 G N 0.093 108.935 108.800 0.070 0.000 2.353 450 G HA2 0.266 4.226 3.960 -0.000 0.000 0.424 450 G HA3 0.266 4.226 3.960 -0.000 0.000 0.424 450 G C -0.537 174.441 174.900 0.129 0.000 1.320 450 G CA -0.079 45.094 45.100 0.121 0.000 0.995 450 G HN 1.520 nan 8.290 nan 0.000 0.580 451 C N -0.911 118.458 119.300 0.114 0.000 2.050 451 C HA 0.864 5.324 4.460 -0.000 0.000 0.222 451 C C 0.170 175.239 174.990 0.133 0.000 2.975 451 C CA -0.805 58.254 59.018 0.067 0.000 1.922 451 C CB 0.718 28.403 27.740 -0.091 0.000 2.650 451 C HN 0.763 nan 8.230 nan 0.000 0.318 452 N N 0.571 119.315 118.700 0.074 0.000 2.581 452 N HA 0.323 5.063 4.740 -0.000 0.000 0.279 452 N C -1.050 174.472 175.510 0.020 0.000 1.124 452 N CA 0.147 53.238 53.050 0.068 0.000 0.833 452 N CB 1.599 40.175 38.487 0.148 0.000 1.338 452 N HN 0.656 nan 8.380 nan 0.000 0.533 453 T N -0.426 114.081 114.554 -0.079 0.000 2.922 453 T HA 0.286 4.636 4.350 -0.000 0.000 0.285 453 T C 1.418 176.000 174.700 -0.196 0.000 1.005 453 T CA -0.216 61.812 62.100 -0.120 0.000 1.061 453 T CB 0.653 69.446 68.868 -0.125 0.000 1.007 453 T HN 0.523 nan 8.240 nan 0.000 0.502 454 T N 1.272 115.630 114.554 -0.327 0.000 3.067 454 T HA 0.123 4.473 4.350 -0.000 0.000 0.261 454 T C 1.366 175.703 174.700 -0.605 0.000 1.110 454 T CA 0.434 62.200 62.100 -0.558 0.000 1.113 454 T CB -0.108 68.192 68.868 -0.948 0.000 0.917 454 T HN 0.656 nan 8.240 nan 0.000 0.499 455 K N 0.980 121.146 120.400 -0.390 0.000 2.589 455 K HA 0.287 4.607 4.320 -0.000 0.000 0.192 455 K C -0.371 176.165 176.600 -0.106 0.000 1.029 455 K CA 0.037 56.212 56.287 -0.187 0.000 1.031 455 K CB 0.120 32.578 32.500 -0.070 0.000 0.821 455 K HN 0.255 nan 8.250 nan 0.000 0.502 456 V N 0.994 120.831 119.914 -0.130 0.000 2.932 456 V HA 0.052 4.172 4.120 -0.000 0.000 0.307 456 V C -0.751 175.305 176.094 -0.063 0.000 1.147 456 V CA -1.159 61.087 62.300 -0.090 0.000 0.951 456 V CB 2.150 33.897 31.823 -0.127 0.000 1.031 456 V HN 0.106 nan 8.190 nan 0.000 0.426 457 Q N 3.309 123.090 119.800 -0.031 0.000 2.247 457 Q HA 0.025 4.365 4.340 -0.000 0.000 0.288 457 Q C 0.989 176.991 176.000 0.003 0.000 1.079 457 Q CA 0.123 55.932 55.803 0.010 0.000 0.932 457 Q CB 0.439 29.173 28.738 -0.007 0.000 1.133 457 Q HN 0.621 nan 8.270 nan 0.000 0.377 458 Q N 1.969 121.832 119.800 0.105 0.000 2.473 458 Q HA -0.336 4.004 4.340 -0.000 0.000 0.238 458 Q C -0.005 176.003 176.000 0.013 0.000 1.088 458 Q CA 2.230 58.105 55.803 0.120 0.000 0.989 458 Q CB -0.163 28.674 28.738 0.165 0.000 0.972 458 Q HN 0.751 nan 8.270 nan 0.000 0.543 459 D N -0.885 119.514 120.400 -0.002 0.000 2.696 459 D HA 0.153 4.793 4.640 -0.000 0.000 0.269 459 D C 0.844 177.108 176.300 -0.060 0.000 1.319 459 D CA 0.190 54.181 54.000 -0.016 0.000 0.826 459 D CB 0.380 41.194 40.800 0.022 0.000 1.086 459 D HN 0.152 nan 8.370 nan 0.000 0.481 460 S N 0.978 116.624 115.700 -0.091 0.000 2.349 460 S HA -0.166 4.304 4.470 -0.000 0.000 0.216 460 S C 2.155 176.704 174.600 -0.085 0.000 1.033 460 S CA 1.605 59.762 58.200 -0.072 0.000 1.021 460 S CB 0.109 63.273 63.200 -0.060 0.000 0.968 460 S HN 0.295 nan 8.310 nan 0.000 0.426 461 A N 0.317 123.047 122.820 -0.151 0.000 1.892 461 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 461 A C 1.971 179.513 177.584 -0.070 0.000 1.188 461 A CA 1.885 53.853 52.037 -0.116 0.000 0.631 461 A CB -1.435 17.469 19.000 -0.159 0.000 0.822 461 A HN 0.789 nan 8.150 nan 0.000 0.447 462 Y N -0.339 119.862 120.300 -0.166 0.000 2.040 462 Y HA -0.299 4.251 4.550 -0.000 0.000 0.275 462 Y C 2.661 178.487 175.900 -0.123 0.000 1.171 462 Y CA 1.240 59.135 58.100 -0.342 0.000 1.123 462 Y CB -0.496 37.568 38.460 -0.660 0.000 0.963 462 Y HN 0.151 nan 8.280 nan 0.000 0.493 463 V N 0.209 120.186 119.914 0.105 0.000 2.295 463 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 463 V C 1.670 177.774 176.094 0.017 0.000 1.049 463 V CA 2.122 64.482 62.300 0.100 0.000 1.024 463 V CB -0.547 31.296 31.823 0.032 0.000 0.648 463 V HN 0.463 nan 8.190 nan 0.000 0.447 464 D N -0.299 120.106 120.400 0.008 0.000 2.149 464 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 464 D C 2.127 178.444 176.300 0.028 0.000 0.972 464 D CA 0.961 54.962 54.000 0.002 0.000 0.835 464 D CB -0.045 40.759 40.800 0.006 0.000 0.966 464 D HN 0.338 nan 8.370 nan 0.000 0.476 465 L N 0.666 121.928 121.223 0.065 0.000 2.093 465 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 465 L C 2.401 179.403 176.870 0.220 0.000 1.085 465 L CA 0.845 55.779 54.840 0.156 0.000 0.755 465 L CB -0.124 42.091 42.059 0.259 0.000 0.904 465 L HN -0.050 nan 8.230 nan 0.000 0.435 466 A N 0.066 122.939 122.820 0.088 0.000 1.841 466 A HA -0.230 4.090 4.320 -0.000 0.000 0.214 466 A C 2.250 179.830 177.584 -0.006 0.000 1.195 466 A CA 1.726 53.787 52.037 0.039 0.000 0.611 466 A CB -0.377 18.450 19.000 -0.289 0.000 0.835 466 A HN 0.310 nan 8.150 nan 0.000 0.443 467 K N -0.257 120.093 120.400 -0.084 0.000 2.063 467 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 467 K C 2.445 179.038 176.600 -0.013 0.000 1.048 467 K CA 1.359 57.584 56.287 -0.104 0.000 0.928 467 K CB -0.309 32.074 32.500 -0.194 0.000 0.713 467 K HN 0.445 nan 8.250 nan 0.000 0.442 468 S N 1.291 116.995 115.700 0.007 0.000 2.369 468 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 468 S C 1.903 176.494 174.600 -0.015 0.000 1.043 468 S CA 1.379 59.581 58.200 0.004 0.000 1.074 468 S CB -0.233 62.983 63.200 0.025 0.000 0.962 468 S HN 0.227 nan 8.310 nan 0.000 0.433 469 L N 0.790 122.035 121.223 0.036 0.000 2.179 469 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 469 L C 2.877 179.764 176.870 0.028 0.000 1.096 469 L CA 0.866 55.728 54.840 0.037 0.000 0.779 469 L CB -0.610 41.513 42.059 0.107 0.000 0.922 469 L HN 0.407 nan 8.230 nan 0.000 0.443 470 A N 0.141 122.979 122.820 0.030 0.000 2.019 470 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 470 A C 2.288 179.886 177.584 0.023 0.000 1.164 470 A CA 1.729 53.780 52.037 0.023 0.000 0.644 470 A CB -0.290 18.714 19.000 0.006 0.000 0.805 470 A HN 0.195 nan 8.150 nan 0.000 0.449 471 K N -0.119 120.286 120.400 0.008 0.000 2.062 471 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 471 K C 1.561 178.136 176.600 -0.041 0.000 1.051 471 K CA 1.015 57.302 56.287 -0.001 0.000 0.941 471 K CB -0.171 32.324 32.500 -0.008 0.000 0.719 471 K HN 0.219 nan 8.250 nan 0.000 0.440 472 R N 1.544 121.977 120.500 -0.112 0.000 2.346 472 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 472 R C -0.468 175.864 176.300 0.053 0.000 1.052 472 R CA 0.312 56.295 56.100 -0.195 0.000 1.116 472 R CB -0.794 29.050 30.300 -0.760 0.000 1.003 472 R HN 0.305 nan 8.270 nan 0.000 0.482 473 N N -0.853 117.878 118.700 0.051 0.000 2.783 473 N HA -0.155 4.585 4.740 -0.000 0.000 0.247 473 N C -1.342 174.228 175.510 0.099 0.000 1.089 473 N CA 0.866 53.962 53.050 0.076 0.000 0.690 473 N CB -1.288 37.250 38.487 0.085 0.000 0.991 473 N HN -0.019 nan 8.380 nan 0.000 0.552 474 V N 1.195 121.163 119.914 0.089 0.000 2.384 474 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 474 V C 0.841 176.948 176.094 0.022 0.000 1.020 474 V CA -0.840 61.504 62.300 0.074 0.000 0.850 474 V CB 2.116 34.005 31.823 0.111 0.000 0.987 474 V HN 0.274 nan 8.190 nan 0.000 0.436 475 L N 5.956 127.179 121.223 -0.001 0.000 2.416 475 L HA 0.451 4.791 4.340 -0.000 0.000 0.272 475 L C -0.493 176.349 176.870 -0.048 0.000 1.161 475 L CA 0.161 54.986 54.840 -0.026 0.000 0.845 475 L CB 1.098 43.142 42.059 -0.025 0.000 1.119 475 L HN 0.485 nan 8.230 nan 0.000 0.464 476 V N 6.567 126.442 119.914 -0.066 0.000 2.384 476 V HA 0.416 4.536 4.120 -0.000 0.000 0.287 476 V C 0.016 176.061 176.094 -0.081 0.000 1.020 476 V CA -0.509 61.750 62.300 -0.069 0.000 0.850 476 V CB 1.377 33.157 31.823 -0.071 0.000 0.987 476 V HN 0.588 nan 8.190 nan 0.000 0.436 477 L N 4.116 125.314 121.223 -0.042 0.000 2.346 477 L HA 0.994 5.334 4.340 -0.000 0.000 0.274 477 L C 0.006 176.920 176.870 0.075 0.000 1.007 477 L CA -0.582 54.253 54.840 -0.009 0.000 0.818 477 L CB 2.018 44.075 42.059 -0.003 0.000 1.284 477 L HN 0.748 nan 8.230 nan 0.000 0.424 478 A N 1.131 124.001 122.820 0.083 0.000 2.572 478 A HA 0.881 5.201 4.320 -0.000 0.000 0.295 478 A C -0.557 177.035 177.584 0.013 0.000 1.072 478 A CA -0.387 51.728 52.037 0.130 0.000 0.691 478 A CB 2.107 21.283 19.000 0.293 0.000 1.291 478 A HN 0.710 nan 8.150 nan 0.000 0.404 479 T N -1.662 112.872 114.554 -0.032 0.000 2.742 479 T HA 0.855 5.205 4.350 -0.000 0.000 0.282 479 T C 0.966 175.537 174.700 -0.215 0.000 1.025 479 T CA 0.268 62.323 62.100 -0.075 0.000 1.020 479 T CB 0.755 69.646 68.868 0.039 0.000 1.317 479 T HN 2.618 nan 8.240 nan 0.000 0.538 480 G N -0.266 108.402 108.800 -0.219 0.000 2.602 480 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.306 480 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.306 480 G C 1.208 175.914 174.900 -0.323 0.000 1.301 480 G CA 0.411 45.383 45.100 -0.213 0.000 0.974 480 G HN 1.289 nan 8.290 nan 0.000 0.547 481 C N 1.018 120.289 119.300 -0.048 0.000 2.432 481 C HA 0.275 4.735 4.460 -0.000 0.000 0.280 481 C C 3.475 178.324 174.990 -0.235 0.000 1.353 481 C CA 1.665 60.690 59.018 0.012 0.000 1.766 481 C CB -1.691 26.116 27.740 0.112 0.000 1.924 481 C HN 1.030 nan 8.230 nan 0.000 0.509 482 A N 1.066 123.610 122.820 -0.461 0.000 1.865 482 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 482 A C 2.410 179.394 177.584 -1.000 0.000 1.191 482 A CA 2.218 53.507 52.037 -1.248 0.000 0.623 482 A CB -1.082 17.327 19.000 -0.984 0.000 0.826 482 A HN 0.565 nan 8.150 nan 0.000 0.444 483 A N -0.651 121.829 122.820 -0.567 0.000 1.978 483 A HA 0.106 4.425 4.320 -0.000 0.000 0.220 483 A C 2.373 179.708 177.584 -0.416 0.000 1.170 483 A CA 1.955 53.707 52.037 -0.474 0.000 0.636 483 A CB -1.344 17.189 19.000 -0.778 0.000 0.810 483 A HN 0.780 nan 8.150 nan 0.000 0.448 484 G N -0.459 108.165 108.800 -0.293 0.000 2.418 484 G HA2 0.006 3.966 3.960 -0.000 0.000 0.217 484 G HA3 0.006 3.966 3.960 -0.000 0.000 0.217 484 G C 1.741 176.595 174.900 -0.077 0.000 1.158 484 G CA 1.456 46.571 45.100 0.026 0.000 0.771 484 G HN 0.766 nan 8.290 nan 0.000 0.545 485 A N 0.975 123.642 122.820 -0.254 0.000 1.841 485 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 485 A C 2.197 179.657 177.584 -0.206 0.000 1.199 485 A CA 1.621 53.500 52.037 -0.262 0.000 0.621 485 A CB -0.862 17.888 19.000 -0.417 0.000 0.835 485 A HN 0.366 nan 8.150 nan 0.000 0.445 486 F N 0.274 120.129 119.950 -0.158 0.000 2.154 486 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 486 F C 2.814 178.573 175.800 -0.069 0.000 1.087 486 F CA 0.659 58.575 58.000 -0.139 0.000 1.274 486 F CB -0.348 38.532 39.000 -0.200 0.000 1.009 486 F HN 0.315 nan 8.300 nan 0.000 0.485 487 A N 0.701 123.585 122.820 0.107 0.000 1.845 487 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 487 A C 2.131 179.776 177.584 0.102 0.000 1.195 487 A CA 1.950 54.058 52.037 0.117 0.000 0.616 487 A CB -0.716 18.366 19.000 0.137 0.000 0.832 487 A HN 0.316 nan 8.150 nan 0.000 0.443 488 K N -0.181 120.265 120.400 0.076 0.000 2.103 488 K HA -0.050 4.269 4.320 -0.000 0.000 0.207 488 K C 2.199 178.847 176.600 0.081 0.000 1.048 488 K CA 1.203 57.534 56.287 0.073 0.000 0.930 488 K CB -0.359 32.168 32.500 0.046 0.000 0.716 488 K HN 0.453 nan 8.250 nan 0.000 0.444 489 A N 0.343 123.207 122.820 0.073 0.000 1.972 489 A HA -0.001 4.318 4.320 -0.000 0.000 0.219 489 A C 1.712 179.349 177.584 0.089 0.000 1.169 489 A CA 1.604 53.689 52.037 0.079 0.000 0.635 489 A CB -0.606 18.445 19.000 0.086 0.000 0.810 489 A HN 0.467 nan 8.150 nan 0.000 0.446 490 G N -2.020 106.838 108.800 0.096 0.000 2.138 490 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.193 490 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.193 490 G C 0.567 175.514 174.900 0.078 0.000 0.998 490 G CA 0.284 45.439 45.100 0.091 0.000 0.668 490 G HN 0.435 nan 8.290 nan 0.000 0.516 491 L N -0.131 121.129 121.223 0.063 0.000 2.558 491 L HA 0.327 4.667 4.340 -0.000 0.000 0.225 491 L C 1.929 178.784 176.870 -0.024 0.000 1.128 491 L CA 0.357 55.194 54.840 -0.006 0.000 0.868 491 L CB -0.081 41.923 42.059 -0.092 0.000 1.006 491 L HN 0.319 nan 8.230 nan 0.000 0.454 492 M N 0.430 120.046 119.600 0.027 0.000 3.654 492 M HA 0.183 4.663 4.480 -0.000 0.000 0.212 492 M C -0.508 175.820 176.300 0.048 0.000 1.354 492 M CA 0.338 55.650 55.300 0.020 0.000 1.564 492 M CB -0.123 32.527 32.600 0.084 0.000 1.056 492 M HN -0.068 nan 8.290 nan 0.000 0.608 493 T N -0.993 113.581 114.554 0.033 0.000 2.916 493 T HA 0.246 4.596 4.350 -0.000 0.000 0.305 493 T C 0.975 175.700 174.700 0.041 0.000 1.119 493 T CA -0.592 61.540 62.100 0.053 0.000 1.008 493 T CB 1.968 70.877 68.868 0.068 0.000 1.129 493 T HN 0.513 nan 8.240 nan 0.000 0.480 494 S N 1.860 117.589 115.700 0.049 0.000 2.348 494 S HA -0.168 4.302 4.470 -0.000 0.000 0.221 494 S C 1.851 176.473 174.600 0.037 0.000 1.033 494 S CA 1.351 59.576 58.200 0.041 0.000 1.010 494 S CB -0.403 62.826 63.200 0.048 0.000 0.891 494 S HN 0.871 nan 8.310 nan 0.000 0.442 495 E N 2.926 123.149 120.200 0.040 0.000 2.110 495 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 495 E C 2.228 178.857 176.600 0.048 0.000 0.988 495 E CA 1.153 57.572 56.400 0.031 0.000 0.804 495 E CB -0.824 28.892 29.700 0.027 0.000 0.745 495 E HN 0.587 nan 8.360 nan 0.000 0.458 496 A N 1.519 124.392 122.820 0.087 0.000 1.997 496 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 496 A C 2.414 180.107 177.584 0.181 0.000 1.172 496 A CA 2.438 54.580 52.037 0.174 0.000 0.645 496 A CB -1.153 17.925 19.000 0.129 0.000 0.813 496 A HN 0.374 nan 8.150 nan 0.000 0.454 497 T N -0.311 114.292 114.554 0.083 0.000 2.812 497 T HA -0.102 4.248 4.350 -0.000 0.000 0.264 497 T C 2.176 176.899 174.700 0.038 0.000 1.042 497 T CA 2.005 64.140 62.100 0.058 0.000 1.140 497 T CB -0.617 68.263 68.868 0.020 0.000 0.870 497 T HN 0.850 nan 8.240 nan 0.000 0.445 498 T N 0.161 114.723 114.554 0.014 0.000 2.977 498 T HA -0.089 4.261 4.350 -0.000 0.000 0.271 498 T C 1.763 176.424 174.700 -0.065 0.000 1.105 498 T CA 1.101 63.191 62.100 -0.017 0.000 1.116 498 T CB -0.193 68.665 68.868 -0.016 0.000 0.878 498 T HN 0.404 nan 8.240 nan 0.000 0.509 499 Q N -1.225 118.511 119.800 -0.106 0.000 2.352 499 Q HA 0.192 4.532 4.340 -0.000 0.000 0.212 499 Q C 0.509 176.181 176.000 -0.547 0.000 0.888 499 Q CA 0.145 55.742 55.803 -0.343 0.000 0.934 499 Q CB 0.411 28.862 28.738 -0.478 0.000 1.093 499 Q HN 0.782 nan 8.270 nan 0.000 0.523 500 Y N -1.896 118.396 120.300 -0.013 0.000 2.459 500 Y HA 0.431 4.981 4.550 -0.000 0.000 0.271 500 Y C 0.277 176.165 175.900 -0.020 0.000 1.063 500 Y CA -0.268 57.823 58.100 -0.016 0.000 1.216 500 Y CB 0.654 39.103 38.460 -0.018 0.000 1.335 500 Y HN 0.002 nan 8.280 nan 0.000 0.550 501 A N 1.923 124.814 122.820 0.119 0.000 2.476 501 A HA 0.456 4.776 4.320 -0.000 0.000 0.275 501 A C 1.041 178.646 177.584 0.035 0.000 1.133 501 A CA 0.384 52.458 52.037 0.062 0.000 0.797 501 A CB -0.691 18.331 19.000 0.038 0.000 1.081 501 A HN 0.387 nan 8.150 nan 0.000 0.510 502 G N 2.520 111.338 108.800 0.031 0.000 2.321 502 G HA2 0.186 4.146 3.960 -0.000 0.000 0.237 502 G HA3 0.186 4.146 3.960 -0.000 0.000 0.237 502 G C 0.656 175.565 174.900 0.016 0.000 1.282 502 G CA 0.317 45.428 45.100 0.017 0.000 0.886 502 G HN 0.893 nan 8.290 nan 0.000 0.528 503 E N 1.754 121.959 120.200 0.010 0.000 2.160 503 E HA -0.329 4.021 4.350 -0.000 0.000 0.237 503 E C 2.684 179.292 176.600 0.014 0.000 1.069 503 E CA 1.758 58.163 56.400 0.009 0.000 0.950 503 E CB -0.511 29.193 29.700 0.007 0.000 0.832 503 E HN 0.646 nan 8.360 nan 0.000 0.496 504 G N 1.968 110.779 108.800 0.018 0.000 2.703 504 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.222 504 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.222 504 G C 1.388 176.301 174.900 0.021 0.000 1.183 504 G CA 1.255 46.368 45.100 0.022 0.000 0.775 504 G HN 0.175 nan 8.290 nan 0.000 0.615 505 L N 1.071 122.308 121.223 0.024 0.000 1.973 505 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 505 L C 2.686 179.565 176.870 0.014 0.000 1.073 505 L CA 2.814 57.666 54.840 0.020 0.000 0.746 505 L CB -1.131 40.942 42.059 0.024 0.000 0.891 505 L HN 0.407 nan 8.230 nan 0.000 0.433 506 K N -0.542 119.867 120.400 0.015 0.000 2.207 506 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 506 K C 1.782 178.388 176.600 0.010 0.000 1.046 506 K CA 1.719 58.013 56.287 0.011 0.000 0.929 506 K CB -0.384 32.122 32.500 0.010 0.000 0.720 506 K HN 0.566 nan 8.250 nan 0.000 0.463 507 G N 0.776 109.583 108.800 0.011 0.000 2.575 507 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 507 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 507 G C 1.406 176.313 174.900 0.012 0.000 1.262 507 G CA 0.935 46.041 45.100 0.011 0.000 0.807 507 G HN 0.292 nan 8.290 nan 0.000 0.567 508 V N 0.709 120.631 119.914 0.013 0.000 2.380 508 V HA -0.128 3.992 4.120 -0.000 0.000 0.251 508 V C 2.591 178.695 176.094 0.016 0.000 1.063 508 V CA 1.806 64.114 62.300 0.015 0.000 1.055 508 V CB -0.360 31.472 31.823 0.014 0.000 0.657 508 V HN 0.275 nan 8.190 nan 0.000 0.455 509 L N 1.118 122.348 121.223 0.012 0.000 2.013 509 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 509 L C 2.828 179.708 176.870 0.017 0.000 1.073 509 L CA 2.943 57.788 54.840 0.009 0.000 0.753 509 L CB -1.310 40.749 42.059 0.001 0.000 0.890 509 L HN 0.759 nan 8.230 nan 0.000 0.432 510 S N -1.029 114.681 115.700 0.017 0.000 2.414 510 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 510 S C 2.133 176.747 174.600 0.023 0.000 1.022 510 S CA 0.661 58.873 58.200 0.020 0.000 0.958 510 S CB -0.325 62.884 63.200 0.015 0.000 0.797 510 S HN 0.382 nan 8.310 nan 0.000 0.493 511 A N 2.896 125.728 122.820 0.021 0.000 1.841 511 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 511 A C 2.206 179.807 177.584 0.028 0.000 1.199 511 A CA 1.706 53.755 52.037 0.021 0.000 0.621 511 A CB -1.072 17.939 19.000 0.019 0.000 0.835 511 A HN 0.542 nan 8.150 nan 0.000 0.445 512 I N -0.192 120.398 120.570 0.033 0.000 2.151 512 I HA -0.254 3.915 4.170 -0.000 0.000 0.243 512 I C 2.744 178.894 176.117 0.055 0.000 1.080 512 I CA 1.309 62.636 61.300 0.044 0.000 1.339 512 I CB -1.028 37.003 38.000 0.052 0.000 1.039 512 I HN 0.412 nan 8.210 nan 0.000 0.409 513 G N 0.592 109.428 108.800 0.058 0.000 2.476 513 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.218 513 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.218 513 G C 1.654 176.586 174.900 0.054 0.000 1.164 513 G CA 1.670 46.812 45.100 0.070 0.000 0.768 513 G HN 0.351 nan 8.290 nan 0.000 0.560 514 T N 1.722 116.299 114.554 0.040 0.000 2.737 514 T HA 0.045 4.395 4.350 -0.000 0.000 0.265 514 T C 2.804 177.521 174.700 0.028 0.000 1.038 514 T CA 1.502 63.621 62.100 0.031 0.000 1.144 514 T CB -0.446 68.436 68.868 0.024 0.000 0.866 514 T HN 0.385 nan 8.240 nan 0.000 0.434 515 A N 1.449 124.286 122.820 0.028 0.000 2.024 515 A HA 0.203 4.522 4.320 -0.000 0.000 0.220 515 A C 2.302 179.901 177.584 0.025 0.000 1.164 515 A CA 1.507 53.558 52.037 0.024 0.000 0.643 515 A CB -0.773 18.241 19.000 0.024 0.000 0.806 515 A HN 0.515 nan 8.150 nan 0.000 0.451 516 A N -1.662 121.178 122.820 0.033 0.000 2.291 516 A HA 0.426 4.746 4.320 -0.000 0.000 0.220 516 A C 1.883 179.481 177.584 0.024 0.000 1.262 516 A CA 1.076 53.131 52.037 0.031 0.000 0.867 516 A CB -1.219 17.811 19.000 0.051 0.000 0.888 516 A HN 1.794 nan 8.150 nan 0.000 0.487 517 G N -0.636 108.177 108.800 0.022 0.000 2.412 517 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 517 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 517 G C 0.413 175.328 174.900 0.025 0.000 1.038 517 G CA 0.555 45.666 45.100 0.018 0.000 0.628 517 G HN 1.458 nan 8.290 nan 0.000 0.531 518 L N 2.517 123.761 121.223 0.036 0.000 2.584 518 L HA 0.579 4.919 4.340 -0.000 0.000 0.272 518 L C 1.094 177.991 176.870 0.044 0.000 1.195 518 L CA 0.305 55.174 54.840 0.049 0.000 0.920 518 L CB 0.391 42.499 42.059 0.081 0.000 1.173 518 L HN 0.675 nan 8.230 nan 0.000 0.489 519 G N 4.317 113.139 108.800 0.038 0.000 2.661 519 G HA2 0.493 4.453 3.960 -0.000 0.000 0.292 519 G HA3 0.493 4.453 3.960 -0.000 0.000 0.292 519 G C 0.474 175.395 174.900 0.035 0.000 0.781 519 G CA 0.419 45.538 45.100 0.032 0.000 1.860 519 G HN 1.458 nan 8.290 nan 0.000 0.512 520 G N 2.796 111.617 108.800 0.035 0.000 2.316 520 G HA2 0.141 4.101 3.960 -0.000 0.000 0.349 520 G HA3 0.141 4.101 3.960 -0.000 0.000 0.349 520 G C -3.267 171.656 174.900 0.039 0.000 1.274 520 G CA -0.449 44.670 45.100 0.033 0.000 1.018 520 G HN 0.492 nan 8.290 nan 0.000 0.486 521 P HA 0.568 nan 4.420 nan 0.000 0.281 521 P C 0.344 177.668 177.300 0.040 0.000 1.264 521 P CA -0.559 62.561 63.100 0.033 0.000 0.824 521 P CB 1.048 32.760 31.700 0.021 0.000 1.092 522 L N 1.314 122.558 121.223 0.034 0.000 2.479 522 L HA 0.147 4.487 4.340 -0.000 0.000 0.270 522 L C -1.876 174.962 176.870 -0.053 0.000 1.236 522 L CA -1.529 53.317 54.840 0.010 0.000 0.823 522 L CB -0.825 41.221 42.059 -0.022 0.000 1.098 522 L HN 0.251 nan 8.230 nan 0.000 0.500 523 P HA -0.059 nan 4.420 nan 0.000 0.271 523 P C 0.602 177.815 177.300 -0.145 0.000 1.216 523 P CA -0.303 62.722 63.100 -0.125 0.000 0.776 523 P CB 0.537 32.132 31.700 -0.175 0.000 0.881 524 L N 3.623 124.792 121.223 -0.090 0.000 2.129 524 L HA -0.079 4.260 4.340 -0.000 0.000 0.212 524 L C -0.013 176.749 176.870 -0.179 0.000 1.087 524 L CA 2.231 57.014 54.840 -0.095 0.000 0.757 524 L CB -0.126 41.901 42.059 -0.053 0.000 0.896 524 L HN 0.066 nan 8.230 nan 0.000 0.434 525 V N 0.961 120.737 119.914 -0.231 0.000 2.483 525 V HA 0.300 4.420 4.120 -0.000 0.000 0.297 525 V C 0.118 176.056 176.094 -0.261 0.000 1.027 525 V CA -0.458 61.662 62.300 -0.301 0.000 0.855 525 V CB 1.717 33.239 31.823 -0.502 0.000 0.995 525 V HN 0.093 nan 8.190 nan 0.000 0.424 526 M N 4.504 123.944 119.600 -0.267 0.000 2.084 526 M HA 0.384 4.864 4.480 -0.000 0.000 0.351 526 M C -0.204 176.068 176.300 -0.047 0.000 1.240 526 M CA -0.537 54.551 55.300 -0.353 0.000 1.083 526 M CB 0.566 32.904 32.600 -0.437 0.000 1.593 526 M HN 0.645 nan 8.290 nan 0.000 0.463 527 H N 5.266 124.323 119.070 -0.021 0.000 3.086 527 H HA 0.169 4.725 4.556 -0.000 0.000 0.265 527 H C 0.107 175.529 175.328 0.157 0.000 1.092 527 H CA 0.553 56.658 56.048 0.094 0.000 1.487 527 H CB 0.577 30.424 29.762 0.142 0.000 1.514 527 H HN 0.760 nan 8.280 nan 0.000 0.497 528 M N 3.593 123.426 119.600 0.388 0.000 2.431 528 M HA 0.178 4.658 4.480 -0.000 0.000 0.237 528 M C 0.930 177.367 176.300 0.229 0.000 1.130 528 M CA 0.522 55.981 55.300 0.264 0.000 1.002 528 M CB 0.500 33.204 32.600 0.173 0.000 1.524 528 M HN 0.817 nan 8.290 nan 0.000 0.482 529 G N 0.392 109.402 108.800 0.351 0.000 2.352 529 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.324 529 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.324 529 G C -0.398 174.625 174.900 0.204 0.000 1.249 529 G CA -0.412 44.805 45.100 0.195 0.000 1.053 529 G HN 0.388 nan 8.290 nan 0.000 0.492 530 S N -1.141 114.659 115.700 0.168 0.000 2.633 530 S HA 0.368 4.838 4.470 -0.000 0.000 0.257 530 S C 1.797 176.485 174.600 0.148 0.000 1.265 530 S CA 0.492 58.793 58.200 0.168 0.000 0.980 530 S CB 0.560 63.879 63.200 0.198 0.000 1.017 530 S HN 1.450 nan 8.310 nan 0.000 0.577 531 C N 0.509 119.933 119.300 0.207 0.000 2.413 531 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 531 C C 2.948 178.012 174.990 0.122 0.000 1.228 531 C CA 0.888 60.043 59.018 0.228 0.000 1.731 531 C CB -1.951 26.060 27.740 0.451 0.000 2.042 531 C HN 0.809 nan 8.230 nan 0.000 0.468 532 V N 0.271 120.222 119.914 0.061 0.000 2.469 532 V HA -0.168 3.952 4.120 -0.000 0.000 0.251 532 V C 1.341 177.416 176.094 -0.032 0.000 1.064 532 V CA 2.427 64.659 62.300 -0.114 0.000 1.066 532 V CB -1.007 30.746 31.823 -0.117 0.000 0.667 532 V HN 0.377 nan 8.190 nan 0.000 0.461 533 D N 0.986 121.413 120.400 0.046 0.000 2.379 533 D HA -0.041 4.599 4.640 -0.000 0.000 0.243 533 D C 1.631 177.980 176.300 0.080 0.000 1.088 533 D CA 0.424 54.457 54.000 0.056 0.000 0.925 533 D CB -0.627 40.226 40.800 0.088 0.000 0.888 533 D HN 0.494 nan 8.370 nan 0.000 0.529 534 N N -0.285 118.481 118.700 0.110 0.000 2.512 534 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 534 N C 1.507 177.116 175.510 0.165 0.000 1.073 534 N CA 0.336 53.501 53.050 0.191 0.000 0.911 534 N CB 0.228 38.917 38.487 0.336 0.000 0.964 534 N HN 0.186 nan 8.380 nan 0.000 0.447 535 S N 0.236 115.960 115.700 0.039 0.000 2.453 535 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 535 S C 1.796 176.397 174.600 0.000 0.000 1.005 535 S CA 0.190 58.357 58.200 -0.055 0.000 0.949 535 S CB 0.057 63.171 63.200 -0.144 0.000 0.774 535 S HN 0.172 nan 8.310 nan 0.000 0.510 536 R N 1.705 122.224 120.500 0.033 0.000 2.105 536 R HA 0.064 4.403 4.340 -0.000 0.000 0.239 536 R C 2.554 178.889 176.300 0.058 0.000 1.135 536 R CA 1.419 57.549 56.100 0.049 0.000 0.967 536 R CB -1.038 29.304 30.300 0.070 0.000 0.861 536 R HN 0.596 nan 8.270 nan 0.000 0.442 537 A N 0.500 123.364 122.820 0.074 0.000 1.930 537 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 537 A C 2.413 180.034 177.584 0.062 0.000 1.176 537 A CA 0.952 53.033 52.037 0.073 0.000 0.632 537 A CB -0.346 18.707 19.000 0.090 0.000 0.819 537 A HN 0.087 nan 8.150 nan 0.000 0.445 538 V N 0.143 120.095 119.914 0.063 0.000 2.407 538 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 538 V C 3.005 179.106 176.094 0.011 0.000 1.055 538 V CA 1.866 64.185 62.300 0.032 0.000 1.049 538 V CB -1.321 30.475 31.823 -0.045 0.000 0.662 538 V HN 0.599 nan 8.190 nan 0.000 0.455 539 A N -0.300 122.527 122.820 0.012 0.000 1.858 539 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 539 A C 2.293 179.890 177.584 0.022 0.000 1.190 539 A CA 1.965 54.012 52.037 0.016 0.000 0.617 539 A CB -0.634 18.382 19.000 0.025 0.000 0.827 539 A HN 0.450 nan 8.150 nan 0.000 0.443 540 L N -0.769 120.472 121.223 0.030 0.000 2.042 540 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 540 L C 2.994 179.877 176.870 0.022 0.000 1.076 540 L CA 1.422 56.280 54.840 0.030 0.000 0.749 540 L CB -0.465 41.618 42.059 0.040 0.000 0.893 540 L HN 0.469 nan 8.230 nan 0.000 0.432 541 A N -0.206 122.627 122.820 0.021 0.000 1.865 541 A HA -0.274 4.045 4.320 -0.000 0.000 0.217 541 A C 2.317 179.907 177.584 0.009 0.000 1.191 541 A CA 2.618 54.664 52.037 0.014 0.000 0.623 541 A CB -1.224 17.788 19.000 0.019 0.000 0.826 541 A HN 0.592 nan 8.150 nan 0.000 0.444 542 T N -1.811 112.748 114.554 0.008 0.000 2.833 542 T HA 0.031 4.381 4.350 -0.000 0.000 0.269 542 T C 1.899 176.602 174.700 0.004 0.000 1.054 542 T CA 1.771 63.873 62.100 0.003 0.000 1.135 542 T CB -0.619 68.248 68.868 -0.002 0.000 0.869 542 T HN 0.610 nan 8.240 nan 0.000 0.466 543 A N 1.775 124.599 122.820 0.008 0.000 1.858 543 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 543 A C 2.405 179.993 177.584 0.007 0.000 1.190 543 A CA 1.446 53.488 52.037 0.008 0.000 0.617 543 A CB -1.058 17.950 19.000 0.013 0.000 0.827 543 A HN 0.536 nan 8.150 nan 0.000 0.443 544 L N -0.660 120.568 121.223 0.008 0.000 2.042 544 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 544 L C 2.790 179.662 176.870 0.002 0.000 1.076 544 L CA 1.657 56.501 54.840 0.006 0.000 0.749 544 L CB -0.436 41.627 42.059 0.006 0.000 0.893 544 L HN 0.413 nan 8.230 nan 0.000 0.432 545 A N 0.176 122.997 122.820 0.001 0.000 1.908 545 A HA -0.245 4.074 4.320 -0.000 0.000 0.218 545 A C 1.927 179.510 177.584 -0.001 0.000 1.181 545 A CA 2.001 54.038 52.037 -0.001 0.000 0.627 545 A CB -0.693 18.307 19.000 -0.001 0.000 0.818 545 A HN 0.600 nan 8.150 nan 0.000 0.445 546 N N -0.263 118.437 118.700 -0.001 0.000 2.188 546 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 546 N C 1.657 177.167 175.510 -0.001 0.000 1.018 546 N CA 1.574 54.623 53.050 -0.002 0.000 0.858 546 N CB -0.321 38.164 38.487 -0.003 0.000 0.989 546 N HN 0.463 nan 8.380 nan 0.000 0.426 547 K N 1.461 121.862 120.400 0.000 0.000 2.063 547 K HA 0.026 4.346 4.320 -0.000 0.000 0.208 547 K C 1.634 178.234 176.600 -0.000 0.000 1.048 547 K CA 0.996 57.283 56.287 0.001 0.000 0.928 547 K CB -0.356 32.145 32.500 0.003 0.000 0.713 547 K HN 0.163 nan 8.250 nan 0.000 0.442 548 L N -0.453 120.769 121.223 -0.001 0.000 2.599 548 L HA 0.172 4.511 4.340 -0.000 0.000 0.230 548 L C 0.933 177.801 176.870 -0.002 0.000 1.141 548 L CA 0.327 55.166 54.840 -0.001 0.000 0.877 548 L CB -0.542 41.516 42.059 -0.002 0.000 1.009 548 L HN 0.519 nan 8.230 nan 0.000 0.447 549 G N 0.976 109.775 108.800 -0.002 0.000 2.305 549 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 549 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 549 G C -0.101 174.797 174.900 -0.003 0.000 1.036 549 G CA 0.689 45.788 45.100 -0.003 0.000 0.887 549 G HN 0.252 nan 8.290 nan 0.000 0.505 550 V N -1.340 118.573 119.914 -0.003 0.000 3.145 550 V HA 0.861 4.981 4.120 -0.000 0.000 0.311 550 V C -0.679 175.414 176.094 -0.002 0.000 1.238 550 V CA -0.428 61.871 62.300 -0.002 0.000 1.066 550 V CB 2.141 33.962 31.823 -0.003 0.000 1.144 550 V HN 0.274 nan 8.190 nan 0.000 0.465 551 D N -0.456 119.943 120.400 -0.001 0.000 2.340 551 D HA 0.386 5.026 4.640 -0.000 0.000 0.243 551 D C 0.779 177.079 176.300 -0.001 0.000 0.988 551 D CA -0.333 53.666 54.000 -0.001 0.000 0.959 551 D CB 1.946 42.747 40.800 0.001 0.000 1.226 551 D HN 0.290 nan 8.370 nan 0.000 0.509 552 L N 1.135 122.358 121.223 -0.000 0.000 2.127 552 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 552 L C 2.227 179.093 176.870 -0.007 0.000 1.089 552 L CA 1.543 56.381 54.840 -0.002 0.000 0.757 552 L CB -0.840 41.221 42.059 0.004 0.000 0.899 552 L HN 0.427 nan 8.230 nan 0.000 0.434 553 S N -1.691 114.008 115.700 -0.001 0.000 2.595 553 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 553 S C 1.078 175.682 174.600 0.006 0.000 0.974 553 S CA 1.003 59.205 58.200 0.004 0.000 0.942 553 S CB -0.393 62.815 63.200 0.014 0.000 0.766 553 S HN 0.498 nan 8.310 nan 0.000 0.536 554 D N 0.420 120.819 120.400 -0.001 0.000 2.473 554 D HA 0.273 4.913 4.640 -0.000 0.000 0.230 554 D C 0.491 176.785 176.300 -0.010 0.000 1.097 554 D CA -0.050 53.949 54.000 -0.002 0.000 0.861 554 D CB 0.227 41.026 40.800 -0.002 0.000 1.114 554 D HN 0.374 nan 8.370 nan 0.000 0.500 555 L N 2.915 124.130 121.223 -0.014 0.000 2.452 555 L HA 0.159 4.499 4.340 -0.000 0.000 0.267 555 L C -1.755 175.096 176.870 -0.032 0.000 1.188 555 L CA -1.293 53.535 54.840 -0.020 0.000 0.821 555 L CB 0.340 42.389 42.059 -0.018 0.000 1.102 555 L HN -0.227 nan 8.230 nan 0.000 0.470 556 P HA 0.090 nan 4.420 nan 0.000 0.218 556 P C -0.718 176.545 177.300 -0.061 0.000 1.793 556 P CA -0.157 62.908 63.100 -0.058 0.000 0.941 556 P CB 0.162 31.823 31.700 -0.066 0.000 1.919 557 L N 1.607 122.795 121.223 -0.058 0.000 2.282 557 L HA 0.571 4.911 4.340 -0.000 0.000 0.288 557 L C -0.850 175.966 176.870 -0.090 0.000 1.033 557 L CA -0.613 54.188 54.840 -0.065 0.000 0.807 557 L CB 1.875 43.907 42.059 -0.045 0.000 1.209 557 L HN -0.104 nan 8.230 nan 0.000 0.423 558 V N 5.005 124.852 119.914 -0.112 0.000 2.789 558 V HA 0.929 5.049 4.120 -0.000 0.000 0.311 558 V C -0.639 175.354 176.094 -0.168 0.000 1.073 558 V CA -0.070 62.144 62.300 -0.143 0.000 0.921 558 V CB 1.979 33.723 31.823 -0.131 0.000 1.009 558 V HN 1.085 nan 8.190 nan 0.000 0.426 559 A N 3.997 126.716 122.820 -0.168 0.000 2.324 559 A HA 0.911 5.231 4.320 -0.000 0.000 0.330 559 A C -0.355 177.170 177.584 -0.097 0.000 1.165 559 A CA -0.192 51.749 52.037 -0.160 0.000 0.813 559 A CB 1.734 20.635 19.000 -0.164 0.000 1.197 559 A HN 1.353 nan 8.150 nan 0.000 0.484 560 S N 0.625 116.285 115.700 -0.066 0.000 2.619 560 S HA 0.632 5.102 4.470 -0.000 0.000 0.280 560 S C -0.741 174.029 174.600 0.284 0.000 1.150 560 S CA 0.211 58.515 58.200 0.173 0.000 0.978 560 S CB 1.281 64.603 63.200 0.204 0.000 1.041 560 S HN 1.946 nan 8.310 nan 0.000 0.485 561 A N 6.585 129.514 122.820 0.182 0.000 3.064 561 A HA 0.617 4.937 4.320 -0.000 0.000 0.339 561 A C -2.173 175.451 177.584 0.066 0.000 1.078 561 A CA -1.511 50.625 52.037 0.165 0.000 0.869 561 A CB 0.231 19.253 19.000 0.037 0.000 1.067 561 A HN 0.627 nan 8.150 nan 0.000 0.480 562 P HA -0.196 nan 4.420 nan 0.000 0.216 562 P C 0.510 177.700 177.300 -0.184 0.000 1.154 562 P CA 1.581 64.712 63.100 0.051 0.000 0.865 562 P CB 0.284 31.985 31.700 0.001 0.000 0.789 563 E N -1.602 118.431 120.200 -0.278 0.000 2.869 563 E HA 0.125 4.475 4.350 -0.000 0.000 0.207 563 E C -0.001 176.541 176.600 -0.096 0.000 0.986 563 E CA -0.424 55.826 56.400 -0.249 0.000 1.131 563 E CB -0.374 29.069 29.700 -0.428 0.000 1.098 563 E HN 0.286 nan 8.360 nan 0.000 0.459 564 C N -0.103 119.166 119.300 -0.052 0.000 2.702 564 C HA 0.254 4.714 4.460 -0.000 0.000 0.411 564 C C 1.271 176.214 174.990 -0.079 0.000 1.286 564 C CA -0.257 58.736 59.018 -0.042 0.000 1.979 564 C CB 0.630 28.343 27.740 -0.046 0.000 2.728 564 C HN 0.562 nan 8.230 nan 0.000 0.652 565 M N 1.866 121.409 119.600 -0.095 0.000 1.744 565 M HA 0.147 4.626 4.480 -0.000 0.000 0.255 565 M C 0.628 176.854 176.300 -0.124 0.000 1.044 565 M CA 0.627 55.859 55.300 -0.113 0.000 1.003 565 M CB -0.637 31.880 32.600 -0.138 0.000 1.880 565 M HN 0.950 nan 8.290 nan 0.000 0.673 566 S N 0.865 116.474 115.700 -0.151 0.000 2.632 566 S HA 0.297 4.767 4.470 -0.000 0.000 0.267 566 S C 0.658 175.184 174.600 -0.124 0.000 1.276 566 S CA -0.262 57.846 58.200 -0.154 0.000 0.998 566 S CB 1.160 64.244 63.200 -0.192 0.000 0.953 566 S HN 0.399 nan 8.310 nan 0.000 0.547 567 E N 0.657 120.781 120.200 -0.127 0.000 2.150 567 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 567 E C 1.853 178.381 176.600 -0.119 0.000 0.985 567 E CA 0.912 57.242 56.400 -0.117 0.000 0.814 567 E CB -0.107 29.523 29.700 -0.116 0.000 0.752 567 E HN 0.608 nan 8.360 nan 0.000 0.466 568 K N 0.547 120.847 120.400 -0.167 0.000 2.026 568 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 568 K C 2.238 178.795 176.600 -0.073 0.000 1.048 568 K CA 1.077 57.238 56.287 -0.211 0.000 0.929 568 K CB -0.144 32.109 32.500 -0.411 0.000 0.713 568 K HN 0.048 nan 8.250 nan 0.000 0.439 569 A N 1.277 124.055 122.820 -0.070 0.000 1.908 569 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 569 A C 2.053 179.599 177.584 -0.064 0.000 1.181 569 A CA 1.274 53.284 52.037 -0.045 0.000 0.627 569 A CB -0.544 18.425 19.000 -0.052 0.000 0.818 569 A HN 0.196 nan 8.150 nan 0.000 0.445 570 L N -0.619 120.563 121.223 -0.068 0.000 2.191 570 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 570 L C 2.716 179.566 176.870 -0.034 0.000 1.103 570 L CA 1.742 56.547 54.840 -0.060 0.000 0.769 570 L CB -0.651 41.360 42.059 -0.081 0.000 0.908 570 L HN 0.392 nan 8.230 nan 0.000 0.438 571 A N -0.531 122.271 122.820 -0.029 0.000 1.854 571 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 571 A C 2.239 179.730 177.584 -0.155 0.000 1.192 571 A CA 1.595 53.644 52.037 0.021 0.000 0.611 571 A CB -0.691 18.377 19.000 0.113 0.000 0.832 571 A HN 0.354 nan 8.150 nan 0.000 0.442 572 I N 0.003 120.427 120.570 -0.244 0.000 2.113 572 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 572 I C 2.705 178.206 176.117 -1.027 0.000 1.064 572 I CA 1.482 62.278 61.300 -0.841 0.000 1.320 572 I CB -0.793 36.991 38.000 -0.360 0.000 1.028 572 I HN 0.427 nan 8.210 nan 0.000 0.406 573 G N -0.223 108.323 108.800 -0.423 0.000 2.440 573 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 573 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 573 G C 1.749 176.529 174.900 -0.201 0.000 1.154 573 G CA 1.040 45.997 45.100 -0.238 0.000 0.767 573 G HN 0.382 nan 8.290 nan 0.000 0.552 574 S N 0.230 115.925 115.700 -0.009 0.000 2.368 574 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 574 S C 1.983 176.597 174.600 0.023 0.000 1.030 574 S CA 1.458 59.723 58.200 0.108 0.000 0.999 574 S CB -0.418 62.893 63.200 0.184 0.000 0.844 574 S HN 0.852 nan 8.310 nan 0.000 0.459 575 W N 1.587 122.896 121.300 0.015 0.000 2.518 575 W HA 0.266 4.926 4.660 -0.000 0.000 0.273 575 W C 2.056 178.540 176.519 -0.059 0.000 1.247 575 W CA 0.428 57.762 57.345 -0.019 0.000 1.288 575 W CB -0.701 28.754 29.460 -0.008 0.000 1.107 575 W HN 0.255 nan 8.180 nan 0.000 0.586 576 A N 1.907 124.628 122.820 -0.164 0.000 1.908 576 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 576 A C 2.232 179.746 177.584 -0.117 0.000 1.181 576 A CA 2.483 54.434 52.037 -0.143 0.000 0.627 576 A CB -1.034 17.695 19.000 -0.452 0.000 0.818 576 A HN 0.154 nan 8.150 nan 0.000 0.445 577 V N -0.397 119.360 119.914 -0.262 0.000 2.427 577 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 577 V C 2.666 178.697 176.094 -0.104 0.000 1.051 577 V CA 2.351 64.467 62.300 -0.307 0.000 1.048 577 V CB -0.963 30.507 31.823 -0.588 0.000 0.666 577 V HN 0.621 nan 8.190 nan 0.000 0.456 578 T N -0.231 114.322 114.554 -0.003 0.000 2.951 578 T HA 0.037 4.386 4.350 -0.000 0.000 0.268 578 T C 1.824 176.558 174.700 0.058 0.000 1.073 578 T CA 1.000 63.129 62.100 0.048 0.000 1.134 578 T CB -0.130 68.793 68.868 0.093 0.000 0.884 578 T HN 0.304 nan 8.240 nan 0.000 0.479 579 I N 0.480 121.109 120.570 0.098 0.000 2.493 579 I HA -0.038 4.132 4.170 -0.000 0.000 0.254 579 I C 2.094 178.232 176.117 0.035 0.000 1.160 579 I CA 1.284 62.633 61.300 0.082 0.000 1.445 579 I CB -0.089 38.003 38.000 0.153 0.000 1.086 579 I HN 0.533 nan 8.210 nan 0.000 0.433 580 G N -0.037 108.768 108.800 0.007 0.000 2.425 580 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.177 580 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.177 580 G C 0.225 175.090 174.900 -0.058 0.000 0.999 580 G CA -0.606 44.486 45.100 -0.014 0.000 0.723 580 G HN 0.121 nan 8.290 nan 0.000 0.491 581 L N 1.295 122.462 121.223 -0.092 0.000 2.371 581 L HA 0.423 4.763 4.340 -0.000 0.000 0.272 581 L C -2.300 174.383 176.870 -0.312 0.000 1.124 581 L CA -1.852 52.892 54.840 -0.160 0.000 0.816 581 L CB 0.806 42.786 42.059 -0.132 0.000 1.129 581 L HN -0.132 nan 8.230 nan 0.000 0.448 582 P HA 0.140 nan 4.420 nan 0.000 0.281 582 P C -0.900 176.111 177.300 -0.481 0.000 1.286 582 P CA -0.038 62.603 63.100 -0.765 0.000 0.772 582 P CB 0.877 32.141 31.700 -0.728 0.000 0.862 583 T N 3.509 117.771 114.554 -0.487 0.000 2.794 583 T HA 0.246 4.596 4.350 -0.000 0.000 0.280 583 T C -0.497 174.180 174.700 -0.040 0.000 0.987 583 T CA -0.366 61.565 62.100 -0.281 0.000 0.993 583 T CB 0.406 69.017 68.868 -0.428 0.000 0.939 583 T HN 0.414 nan 8.240 nan 0.000 0.449 584 H N 2.721 121.770 119.070 -0.035 0.000 2.459 584 H HA 0.591 5.147 4.556 -0.000 0.000 0.332 584 H C -0.978 174.417 175.328 0.112 0.000 1.094 584 H CA -0.802 55.284 56.048 0.063 0.000 1.224 584 H CB 1.117 30.909 29.762 0.050 0.000 1.449 584 H HN 0.469 nan 8.280 nan 0.000 0.484 585 V N 2.490 122.156 119.914 -0.413 0.000 2.448 585 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 585 V C 0.763 176.541 176.094 -0.527 0.000 1.025 585 V CA -0.374 61.688 62.300 -0.398 0.000 0.859 585 V CB 1.399 33.143 31.823 -0.132 0.000 0.988 585 V HN 0.881 nan 8.190 nan 0.000 0.431 586 G N 1.834 110.371 108.800 -0.439 0.000 3.523 586 G HA2 0.286 4.246 3.960 -0.000 0.000 0.270 586 G HA3 0.286 4.246 3.960 -0.000 0.000 0.270 586 G C 0.603 175.446 174.900 -0.095 0.000 1.134 586 G CA 0.538 45.535 45.100 -0.171 0.000 0.825 586 G HN 0.704 nan 8.290 nan 0.000 0.534 587 S N -0.669 114.966 115.700 -0.108 0.000 2.593 587 S HA 0.224 4.694 4.470 -0.000 0.000 0.235 587 S C 0.400 174.962 174.600 -0.063 0.000 1.059 587 S CA 0.163 58.315 58.200 -0.080 0.000 0.953 587 S CB 0.883 64.030 63.200 -0.088 0.000 0.897 587 S HN 0.486 nan 8.310 nan 0.000 0.507 588 V N 2.176 122.045 119.914 -0.076 0.000 3.765 588 V HA -0.112 4.008 4.120 -0.000 0.000 0.447 588 V C -2.824 173.226 176.094 -0.073 0.000 0.680 588 V CA -0.656 61.605 62.300 -0.066 0.000 1.894 588 V CB -1.946 29.856 31.823 -0.034 0.000 2.321 588 V HN 0.243 nan 8.190 nan 0.000 0.492 589 P HA 0.342 nan 4.420 nan 0.000 0.274 589 P C -2.304 174.963 177.300 -0.055 0.000 1.246 589 P CA -1.447 61.596 63.100 -0.094 0.000 0.795 589 P CB 0.321 31.919 31.700 -0.169 0.000 1.006 590 P HA -0.033 nan 4.420 nan 0.000 0.229 590 P C 0.099 177.396 177.300 -0.005 0.000 1.597 590 P CA 0.749 63.851 63.100 0.004 0.000 1.030 590 P CB -0.418 31.314 31.700 0.053 0.000 1.897 591 V N 1.360 121.255 119.914 -0.032 0.000 2.996 591 V HA -0.065 4.054 4.120 -0.000 0.000 0.235 591 V C 2.290 178.371 176.094 -0.022 0.000 1.205 591 V CA 0.374 62.655 62.300 -0.032 0.000 1.225 591 V CB -0.799 30.984 31.823 -0.066 0.000 0.995 591 V HN 0.269 nan 8.190 nan 0.000 0.484 592 I N 0.972 121.529 120.570 -0.023 0.000 2.367 592 I HA -0.199 3.971 4.170 -0.000 0.000 0.256 592 I C 2.125 178.232 176.117 -0.016 0.000 1.132 592 I CA 2.144 63.436 61.300 -0.014 0.000 1.397 592 I CB -1.216 36.777 38.000 -0.011 0.000 1.074 592 I HN 0.328 nan 8.210 nan 0.000 0.435 593 G N 0.368 109.153 108.800 -0.026 0.000 2.586 593 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 593 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 593 G C 0.656 175.542 174.900 -0.023 0.000 1.128 593 G CA 0.736 45.814 45.100 -0.036 0.000 0.774 593 G HN 0.478 nan 8.290 nan 0.000 0.543 594 S N -1.127 114.568 115.700 -0.009 0.000 2.647 594 S HA 0.390 4.860 4.470 -0.000 0.000 0.300 594 S C 0.772 175.377 174.600 0.008 0.000 1.129 594 S CA -0.611 57.590 58.200 0.002 0.000 1.029 594 S CB 1.615 64.820 63.200 0.010 0.000 1.007 594 S HN 0.302 nan 8.310 nan 0.000 0.484 595 Q N 3.066 122.874 119.800 0.012 0.000 2.163 595 Q HA 0.013 4.353 4.340 -0.000 0.000 0.198 595 Q C 1.283 177.297 176.000 0.023 0.000 0.954 595 Q CA 1.114 56.928 55.803 0.018 0.000 0.851 595 Q CB -0.154 28.595 28.738 0.018 0.000 0.928 595 Q HN 0.774 nan 8.270 nan 0.000 0.459 596 I N 0.039 120.623 120.570 0.025 0.000 2.163 596 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 596 I C 2.180 178.317 176.117 0.034 0.000 1.085 596 I CA 1.157 62.475 61.300 0.029 0.000 1.347 596 I CB -0.610 37.409 38.000 0.031 0.000 1.044 596 I HN -0.012 nan 8.210 nan 0.000 0.408 597 V N -0.110 119.822 119.914 0.031 0.000 2.270 597 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 597 V C 2.455 178.570 176.094 0.035 0.000 1.043 597 V CA 2.436 64.756 62.300 0.033 0.000 1.014 597 V CB -1.239 30.598 31.823 0.023 0.000 0.645 597 V HN 0.450 nan 8.190 nan 0.000 0.447 598 T N -0.293 114.276 114.554 0.025 0.000 2.721 598 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 598 T C 1.905 176.637 174.700 0.054 0.000 1.038 598 T CA 2.124 64.242 62.100 0.030 0.000 1.145 598 T CB -0.230 68.652 68.868 0.023 0.000 0.858 598 T HN 0.498 nan 8.240 nan 0.000 0.459 599 K N 0.716 121.145 120.400 0.048 0.000 1.984 599 K HA 0.007 4.327 4.320 -0.000 0.000 0.209 599 K C 2.322 178.962 176.600 0.066 0.000 1.046 599 K CA 0.999 57.316 56.287 0.050 0.000 0.934 599 K CB -0.359 32.162 32.500 0.036 0.000 0.717 599 K HN 0.256 nan 8.250 nan 0.000 0.438 600 L N 1.219 122.482 121.223 0.066 0.000 2.021 600 L HA -0.223 4.117 4.340 -0.000 0.000 0.215 600 L C 2.387 179.330 176.870 0.121 0.000 1.074 600 L CA 1.733 56.621 54.840 0.080 0.000 0.760 600 L CB -0.606 41.497 42.059 0.073 0.000 0.889 600 L HN 0.265 nan 8.230 nan 0.000 0.433 601 V N -4.513 115.494 119.914 0.154 0.000 3.573 601 V HA 0.009 4.129 4.120 -0.000 0.000 0.270 601 V C 1.666 177.968 176.094 0.346 0.000 1.221 601 V CA 1.330 63.797 62.300 0.278 0.000 1.163 601 V CB -0.466 31.536 31.823 0.298 0.000 0.847 601 V HN 0.606 nan 8.190 nan 0.000 0.468 602 T N -4.505 110.187 114.554 0.230 0.000 3.058 602 T HA 0.390 4.740 4.350 -0.000 0.000 0.278 602 T C 1.003 175.770 174.700 0.113 0.000 0.974 602 T CA 0.531 62.776 62.100 0.243 0.000 0.893 602 T CB 0.479 69.470 68.868 0.205 0.000 1.138 602 T HN 0.535 nan 8.240 nan 0.000 0.529 603 E N 0.693 120.935 120.200 0.071 0.000 3.155 603 E HA 0.101 4.451 4.350 -0.000 0.000 0.208 603 E C 1.461 178.067 176.600 0.010 0.000 1.060 603 E CA 0.526 56.922 56.400 -0.006 0.000 1.522 603 E CB 0.169 29.865 29.700 -0.006 0.000 1.433 603 E HN 0.221 nan 8.360 nan 0.000 0.709 604 T N 1.460 116.038 114.554 0.040 0.000 2.962 604 T HA -0.072 4.278 4.350 -0.000 0.000 0.270 604 T C 1.868 176.601 174.700 0.055 0.000 1.088 604 T CA 1.104 63.228 62.100 0.041 0.000 1.127 604 T CB -0.099 68.797 68.868 0.047 0.000 0.883 604 T HN 0.182 nan 8.240 nan 0.000 0.493 605 A N 1.743 124.614 122.820 0.084 0.000 1.968 605 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 605 A C 2.248 179.891 177.584 0.098 0.000 1.169 605 A CA 1.027 53.123 52.037 0.097 0.000 0.638 605 A CB -0.342 18.736 19.000 0.129 0.000 0.812 605 A HN 0.406 nan 8.150 nan 0.000 0.446 606 K N -0.062 120.392 120.400 0.091 0.000 2.113 606 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 606 K C 1.164 177.792 176.600 0.047 0.000 1.047 606 K CA 1.662 57.993 56.287 0.074 0.000 0.928 606 K CB -0.142 32.306 32.500 -0.088 0.000 0.716 606 K HN 0.546 nan 8.250 nan 0.000 0.446 607 D N 0.572 120.989 120.400 0.029 0.000 2.278 607 D HA -0.045 4.595 4.640 -0.000 0.000 0.228 607 D C 2.106 178.425 176.300 0.031 0.000 1.020 607 D CA 0.565 54.579 54.000 0.023 0.000 0.922 607 D CB -0.488 40.320 40.800 0.014 0.000 1.051 607 D HN 0.006 nan 8.370 nan 0.000 0.452 608 L N 0.581 121.824 121.223 0.034 0.000 2.058 608 L HA -0.213 4.127 4.340 -0.000 0.000 0.226 608 L C 2.240 179.131 176.870 0.036 0.000 1.089 608 L CA 1.375 56.236 54.840 0.035 0.000 0.799 608 L CB -0.240 41.844 42.059 0.043 0.000 0.900 608 L HN 0.001 nan 8.230 nan 0.000 0.442 609 V N -1.765 118.175 119.914 0.042 0.000 3.398 609 V HA 0.324 4.444 4.120 -0.000 0.000 0.298 609 V C 1.200 177.317 176.094 0.039 0.000 1.496 609 V CA 0.784 63.106 62.300 0.037 0.000 1.044 609 V CB 0.668 32.513 31.823 0.036 0.000 0.880 609 V HN 0.679 nan 8.190 nan 0.000 0.443 610 G N 0.399 109.232 108.800 0.055 0.000 2.396 610 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 610 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 610 G C 0.792 175.759 174.900 0.112 0.000 1.069 610 G CA 0.349 45.492 45.100 0.072 0.000 0.633 610 G HN 1.304 nan 8.290 nan 0.000 0.517 611 G N -0.584 108.248 108.800 0.054 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 -0.554 174.388 174.900 0.070 0.000 1.210 611 G CA -0.082 44.998 45.100 -0.032 0.000 0.960 611 G HN 1.705 nan 8.290 nan 0.000 0.497 612 Y N -3.019 117.188 120.300 -0.156 0.000 2.662 612 Y HA 0.619 5.169 4.550 -0.000 0.000 0.334 612 Y C -1.515 174.280 175.900 -0.174 0.000 1.185 612 Y CA -2.089 55.940 58.100 -0.118 0.000 1.074 612 Y CB 0.652 39.103 38.460 -0.014 0.000 1.330 612 Y HN 0.437 nan 8.280 nan 0.000 0.458 613 F N 2.370 122.405 119.950 0.142 0.000 2.375 613 F HA 0.623 5.149 4.527 -0.000 0.000 0.333 613 F C 0.168 176.068 175.800 0.167 0.000 1.104 613 F CA -0.526 57.512 58.000 0.063 0.000 1.149 613 F CB 1.200 40.227 39.000 0.043 0.000 1.190 613 F HN 0.388 nan 8.300 nan 0.000 0.533 614 I N 3.772 124.545 120.570 0.338 0.000 2.537 614 I HA 0.190 4.360 4.170 -0.000 0.000 0.276 614 I C -1.159 175.132 176.117 0.290 0.000 1.063 614 I CA -0.592 60.891 61.300 0.305 0.000 1.144 614 I CB 0.996 39.157 38.000 0.268 0.000 1.252 614 I HN 0.158 nan 8.210 nan 0.000 0.480 615 V N 4.205 124.244 119.914 0.208 0.000 2.455 615 V HA 0.322 4.442 4.120 -0.000 0.000 0.273 615 V C -0.046 176.141 176.094 0.156 0.000 1.045 615 V CA 0.058 62.436 62.300 0.130 0.000 0.976 615 V CB 0.828 32.684 31.823 0.055 0.000 0.993 615 V HN 0.625 nan 8.190 nan 0.000 0.475 616 D N 3.137 123.654 120.400 0.194 0.000 2.688 616 D HA 0.116 4.756 4.640 -0.000 0.000 0.210 616 D C 0.635 177.052 176.300 0.195 0.000 1.333 616 D CA -0.135 53.975 54.000 0.183 0.000 0.920 616 D CB 2.357 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 0.026 114.643 114.554 0.106 0.000 3.169 617 T HA 0.114 4.463 4.350 -0.000 0.000 0.250 617 T C 0.428 175.170 174.700 0.070 0.000 1.111 617 T CA -0.227 61.920 62.100 0.077 0.000 1.010 617 T CB 0.111 69.001 68.868 0.037 0.000 0.984 617 T HN 0.203 nan 8.240 nan 0.000 0.537 618 D N 1.471 121.918 120.400 0.078 0.000 2.441 618 D HA 0.370 5.010 4.640 -0.000 0.000 0.231 618 D C -1.821 174.510 176.300 0.050 0.000 1.073 618 D CA -2.682 51.349 54.000 0.052 0.000 0.850 618 D CB 1.833 42.657 40.800 0.039 0.000 1.062 618 D HN -0.146 nan 8.370 nan 0.000 0.524 619 P HA -0.265 nan 4.420 nan 0.000 0.217 619 P C 1.195 178.504 177.300 0.016 0.000 1.162 619 P CA 1.525 64.648 63.100 0.039 0.000 0.901 619 P CB 0.250 31.968 31.700 0.030 0.000 0.793 620 K N -0.660 119.749 120.400 0.016 0.000 2.009 620 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 620 K C 2.353 178.957 176.600 0.006 0.000 1.049 620 K CA 1.645 57.938 56.287 0.010 0.000 0.929 620 K CB -1.428 31.079 32.500 0.011 0.000 0.714 620 K HN 0.125 nan 8.250 nan 0.000 0.440 621 S N 0.685 116.392 115.700 0.012 0.000 2.359 621 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 621 S C 2.076 176.673 174.600 -0.004 0.000 1.035 621 S CA 1.484 59.693 58.200 0.015 0.000 1.018 621 S CB -0.220 62.998 63.200 0.029 0.000 0.876 621 S HN 0.365 nan 8.310 nan 0.000 0.448 622 A N 1.021 123.815 122.820 -0.045 0.000 1.865 622 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 622 A C 2.432 179.923 177.584 -0.155 0.000 1.191 622 A CA 2.054 53.977 52.037 -0.190 0.000 0.623 622 A CB -1.854 16.868 19.000 -0.464 0.000 0.826 622 A HN 0.665 nan 8.150 nan 0.000 0.444 623 G N -0.307 108.445 108.800 -0.080 0.000 2.469 623 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 623 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 623 G C 1.127 176.050 174.900 0.039 0.000 1.150 623 G CA 1.426 46.521 45.100 -0.007 0.000 0.763 623 G HN 0.485 nan 8.290 nan 0.000 0.561 624 D N 0.490 120.910 120.400 0.033 0.000 2.144 624 D HA -0.025 4.615 4.640 -0.000 0.000 0.200 624 D C 2.540 178.896 176.300 0.092 0.000 0.978 624 D CA 0.824 54.867 54.000 0.072 0.000 0.833 624 D CB -0.125 40.703 40.800 0.047 0.000 0.961 624 D HN 0.333 nan 8.370 nan 0.000 0.470 625 K N 0.132 120.564 120.400 0.054 0.000 2.103 625 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 625 K C 2.278 178.919 176.600 0.068 0.000 1.052 625 K CA 0.399 56.726 56.287 0.067 0.000 0.945 625 K CB -0.005 32.534 32.500 0.065 0.000 0.722 625 K HN 0.151 nan 8.250 nan 0.000 0.443 626 L N -0.189 121.055 121.223 0.036 0.000 1.976 626 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 626 L C 2.509 179.414 176.870 0.059 0.000 1.071 626 L CA 1.486 56.339 54.840 0.021 0.000 0.746 626 L CB -0.576 41.473 42.059 -0.017 0.000 0.890 626 L HN 0.146 nan 8.230 nan 0.000 0.432 627 Y N 0.462 120.751 120.300 -0.019 0.000 2.256 627 Y HA -0.310 4.240 4.550 -0.000 0.000 0.288 627 Y C 2.443 178.345 175.900 0.004 0.000 1.155 627 Y CA 1.316 59.410 58.100 -0.009 0.000 1.203 627 Y CB -0.089 38.369 38.460 -0.003 0.000 0.980 627 Y HN 0.170 nan 8.280 nan 0.000 0.530 628 A N 0.121 122.990 122.820 0.081 0.000 1.902 628 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 628 A C 2.369 179.938 177.584 -0.025 0.000 1.181 628 A CA 1.699 53.751 52.037 0.024 0.000 0.623 628 A CB -1.355 17.688 19.000 0.071 0.000 0.818 628 A HN 0.558 nan 8.150 nan 0.000 0.443 629 A N -0.151 122.676 122.820 0.010 0.000 1.930 629 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 629 A C 2.101 179.655 177.584 -0.049 0.000 1.175 629 A CA 1.358 53.416 52.037 0.035 0.000 0.627 629 A CB -0.557 18.492 19.000 0.082 0.000 0.815 629 A HN 0.483 nan 8.150 nan 0.000 0.443 630 I N -0.954 119.541 120.570 -0.125 0.000 2.226 630 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 630 I C 2.769 178.753 176.117 -0.222 0.000 1.100 630 I CA 1.652 62.842 61.300 -0.184 0.000 1.374 630 I CB -0.228 37.618 38.000 -0.256 0.000 1.057 630 I HN 0.324 nan 8.210 nan 0.000 0.413 631 Q N 0.559 120.175 119.800 -0.307 0.000 2.119 631 Q HA -0.212 4.128 4.340 -0.000 0.000 0.201 631 Q C 2.100 178.028 176.000 -0.120 0.000 0.972 631 Q CA 1.415 57.066 55.803 -0.253 0.000 0.847 631 Q CB -0.179 28.397 28.738 -0.270 0.000 0.903 631 Q HN 0.281 nan 8.270 nan 0.000 0.433 632 E N -0.103 120.050 120.200 -0.080 0.000 2.110 632 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 632 E C 1.742 178.325 176.600 -0.028 0.000 0.988 632 E CA 0.868 57.248 56.400 -0.034 0.000 0.804 632 E CB 0.114 29.813 29.700 -0.002 0.000 0.745 632 E HN 0.155 nan 8.360 nan 0.000 0.458 633 R N 0.496 120.976 120.500 -0.034 0.000 2.096 633 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 633 R C 2.320 178.599 176.300 -0.036 0.000 1.127 633 R CA 0.622 56.707 56.100 -0.026 0.000 0.968 633 R CB -0.562 29.718 30.300 -0.033 0.000 0.861 633 R HN 0.119 nan 8.270 nan 0.000 0.440 634 R N 0.506 120.972 120.500 -0.057 0.000 2.094 634 R HA -0.090 4.250 4.340 -0.000 0.000 0.239 634 R C 2.141 178.421 176.300 -0.034 0.000 1.137 634 R CA 1.648 57.717 56.100 -0.052 0.000 0.943 634 R CB -0.924 29.331 30.300 -0.074 0.000 0.850 634 R HN 0.240 nan 8.270 nan 0.000 0.433 635 A N 0.370 123.170 122.820 -0.033 0.000 1.903 635 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 635 A C 2.243 179.818 177.584 -0.015 0.000 1.191 635 A CA 2.075 54.100 52.037 -0.021 0.000 0.638 635 A CB -1.213 17.775 19.000 -0.019 0.000 0.823 635 A HN 0.485 nan 8.150 nan 0.000 0.451 636 G N -1.489 107.302 108.800 -0.014 0.000 2.740 636 G HA2 0.297 4.257 3.960 -0.000 0.000 0.208 636 G HA3 0.297 4.257 3.960 -0.000 0.000 0.208 636 G C 0.427 175.322 174.900 -0.009 0.000 1.148 636 G CA 0.476 45.571 45.100 -0.009 0.000 0.795 636 G HN 0.405 nan 8.290 nan 0.000 0.526 637 L N 0.000 121.216 121.223 -0.012 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 -0.010 0.000 0.813 637 L CB 0.000 42.052 42.059 -0.012 0.000 0.961 637 L HN 0.000 nan 8.230 nan 0.000 0.502