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 1wdl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIYEGKAITV TALESGIVEL KFDLKGESVN KFNRLTLNEL RQAVDAIKAD DATA SEQUENCE ASVKGVIVSS GKDVFIVGAD ITEFVENFKL PDAELIAGNL EANKIFSDFE DATA SEQUENCE DLNVPTVAAI NGIALGGGLE MCLAADFRVM ADSAKIGLPE VKLGIYPGFG DATA SEQUENCE GTVRLPRLIG VDNAVEWIAS GKENRAEDAL KVSAVDAVVT ADKLGAAALD DATA SEQUENCE LIKRAISGEL DYKAKRQPKL EKLKLNAIEQ MMAFETAKGF VAGQAGPNYP DATA SEQUENCE APVEAIKTIQ KAANFGRDKA LEVEAAGFAK LAKTSASNCL IGLFLNDQEL DATA SEQUENCE KKKAKVYDKI AKDVKQAAVL GAGIMGGGIA YQSASKGTPI LMKDINEHGI DATA SEQUENCE EQGLAEAAKL LVGRVDKGRM TPAKMAEVLN GIRPTLSYGD FGNVDLVVEA DATA SEQUENCE VVENPKVKQA VLAEVENHVR EDAILASNTS TISISLLAKA LKRPENFVGM DATA SEQUENCE HFFNPVHMMP LVEVIRGEKS SDLAVATTVA YAKKMGKNPI VVNDCPGFLV DATA SEQUENCE NRVLFPYFGG FAKLVSAGVD FVRIDKVMEK FGWPMGPAYL MDVVGIDTGH DATA SEQUENCE HGRDVMAEGF PDRMKDDRRS AIDALYEAKR LGQKNGKGFY AYEADKKGKQ DATA SEQUENCE KKLVDSSVLE VLKPIVYEQR DVTDEDIINW MMIPLCLETV RCLEDGIVET DATA SEQUENCE AAEADMGLVY GIGFPLFRGG ALRYIDSIGV AEFVALADQY AELGALYHPT DATA SEQUENCE AKLREMAKNG QSFFG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.026 0.000 1.302 2 I N -0.404 120.182 120.570 0.026 0.000 2.226 2 I HA -0.074 4.095 4.170 -0.001 0.000 0.245 2 I C 0.148 176.347 176.117 0.137 0.000 1.100 2 I CA 1.924 63.259 61.300 0.058 0.000 1.374 2 I CB -0.150 37.880 38.000 0.050 0.000 1.057 2 I HN 0.583 nan 8.210 nan 0.000 0.413 3 Y N 0.567 120.843 120.300 -0.040 0.000 2.390 3 Y HA 0.459 5.009 4.550 -0.001 0.000 0.324 3 Y C -0.720 175.147 175.900 -0.055 0.000 1.151 3 Y CA -1.036 57.035 58.100 -0.048 0.000 1.053 3 Y CB 0.895 39.321 38.460 -0.057 0.000 1.277 3 Y HN -0.081 nan 8.280 nan 0.000 0.432 4 E N 3.373 123.137 120.200 -0.728 0.000 2.593 4 E HA 0.636 4.985 4.350 -0.001 0.000 0.232 4 E C -0.159 175.996 176.600 -0.742 0.000 1.026 4 E CA -0.236 55.819 56.400 -0.575 0.000 0.772 4 E CB 0.742 30.272 29.700 -0.283 0.000 1.310 4 E HN 1.115 nan 8.360 nan 0.000 0.413 5 G N -0.512 107.760 108.800 -0.880 0.000 2.532 5 G HA2 0.536 4.496 3.960 -0.001 0.000 0.291 5 G HA3 0.536 4.496 3.960 -0.001 0.000 0.291 5 G C 1.054 175.822 174.900 -0.220 0.000 1.349 5 G CA 0.387 45.188 45.100 -0.499 0.000 1.038 5 G HN 0.871 nan 8.290 nan 0.000 0.518 6 K N -1.611 118.724 120.400 -0.107 0.000 2.379 6 K HA 0.623 4.942 4.320 -0.001 0.000 0.194 6 K C 1.661 178.233 176.600 -0.047 0.000 1.031 6 K CA 1.408 57.654 56.287 -0.068 0.000 1.037 6 K CB 0.264 32.741 32.500 -0.039 0.000 0.824 6 K HN 0.927 nan 8.250 nan 0.000 0.516 7 A N -0.426 122.371 122.820 -0.038 0.000 2.066 7 A HA 0.523 4.842 4.320 -0.001 0.000 0.198 7 A C 0.411 177.959 177.584 -0.059 0.000 1.405 7 A CA 0.176 52.199 52.037 -0.023 0.000 0.973 7 A CB 0.649 19.652 19.000 0.004 0.000 1.026 7 A HN 0.276 nan 8.150 nan 0.000 0.474 8 I N 1.482 122.008 120.570 -0.074 0.000 2.499 8 I HA 0.331 4.501 4.170 -0.001 0.000 0.288 8 I C -0.801 175.264 176.117 -0.087 0.000 1.048 8 I CA -0.519 60.693 61.300 -0.147 0.000 1.062 8 I CB 2.450 40.327 38.000 -0.206 0.000 1.238 8 I HN 0.142 nan 8.210 nan 0.000 0.426 9 T N 2.492 116.976 114.554 -0.117 0.000 2.977 9 T HA 0.426 4.776 4.350 -0.001 0.000 0.346 9 T C -0.333 174.342 174.700 -0.042 0.000 1.140 9 T CA -0.664 61.373 62.100 -0.105 0.000 1.040 9 T CB 0.771 69.573 68.868 -0.109 0.000 1.046 9 T HN 0.169 nan 8.240 nan 0.000 0.494 10 V N 4.654 124.596 119.914 0.046 0.000 2.364 10 V HA 0.228 4.347 4.120 -0.001 0.000 0.252 10 V C 0.717 176.826 176.094 0.025 0.000 1.075 10 V CA -0.098 62.231 62.300 0.047 0.000 1.033 10 V CB -0.617 31.269 31.823 0.105 0.000 1.116 10 V HN 0.983 nan 8.190 nan 0.000 0.488 11 T N 4.265 118.821 114.554 0.002 0.000 2.907 11 T HA 0.691 5.040 4.350 -0.001 0.000 0.284 11 T C 0.439 175.141 174.700 0.003 0.000 1.004 11 T CA -0.207 61.892 62.100 -0.002 0.000 1.063 11 T CB 1.807 70.668 68.868 -0.010 0.000 0.992 11 T HN 0.776 nan 8.240 nan 0.000 0.483 12 A N 2.491 125.311 122.820 0.001 0.000 2.287 12 A HA 0.841 5.161 4.320 -0.001 0.000 0.273 12 A C -0.313 177.271 177.584 -0.001 0.000 1.091 12 A CA -0.491 51.546 52.037 -0.000 0.000 0.817 12 A CB 0.228 19.227 19.000 -0.002 0.000 1.069 12 A HN 0.834 nan 8.150 nan 0.000 0.492 13 L N -1.248 119.973 121.223 -0.003 0.000 2.305 13 L HA 0.385 4.724 4.340 -0.001 0.000 0.239 13 L C 0.205 177.071 176.870 -0.007 0.000 1.146 13 L CA -1.006 53.832 54.840 -0.003 0.000 1.038 13 L CB 1.178 43.237 42.059 -0.001 0.000 1.591 13 L HN 0.977 nan 8.230 nan 0.000 0.438 14 E N -0.898 119.297 120.200 -0.007 0.000 2.392 14 E HA 0.156 4.506 4.350 -0.001 0.000 0.256 14 E C -0.157 176.435 176.600 -0.013 0.000 1.145 14 E CA -0.029 56.366 56.400 -0.009 0.000 0.929 14 E CB 0.587 30.282 29.700 -0.008 0.000 0.998 14 E HN 0.501 nan 8.360 nan 0.000 0.442 15 S N 0.683 116.375 115.700 -0.013 0.000 3.477 15 S HA -0.227 4.243 4.470 -0.001 0.000 0.357 15 S C 1.090 175.678 174.600 -0.019 0.000 1.083 15 S CA 0.864 59.055 58.200 -0.016 0.000 1.042 15 S CB -1.965 61.224 63.200 -0.019 0.000 0.911 15 S HN 1.321 nan 8.310 nan 0.000 0.490 16 G N -0.357 108.433 108.800 -0.017 0.000 2.189 16 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.267 16 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.267 16 G C 0.102 174.987 174.900 -0.025 0.000 0.975 16 G CA 0.365 45.453 45.100 -0.020 0.000 0.644 16 G HN 0.767 nan 8.290 nan 0.000 0.537 17 I N 0.481 121.036 120.570 -0.024 0.000 2.529 17 I HA 0.444 4.613 4.170 -0.001 0.000 0.284 17 I C 0.676 176.785 176.117 -0.015 0.000 1.082 17 I CA -0.420 60.864 61.300 -0.027 0.000 1.406 17 I CB 1.432 39.417 38.000 -0.025 0.000 1.405 17 I HN -0.019 nan 8.210 nan 0.000 0.548 18 V N 6.524 126.431 119.914 -0.012 0.000 2.715 18 V HA 0.370 4.489 4.120 -0.001 0.000 0.310 18 V C -0.412 175.694 176.094 0.020 0.000 1.054 18 V CA -0.391 61.910 62.300 0.002 0.000 0.928 18 V CB 1.983 33.806 31.823 -0.000 0.000 1.007 18 V HN 0.869 nan 8.190 nan 0.000 0.437 19 E N 5.441 125.655 120.200 0.024 0.000 2.102 19 E HA 0.331 4.681 4.350 -0.001 0.000 0.263 19 E C -1.136 175.480 176.600 0.026 0.000 0.894 19 E CA -0.597 55.825 56.400 0.038 0.000 0.746 19 E CB 1.486 31.205 29.700 0.032 0.000 1.129 19 E HN 0.769 nan 8.360 nan 0.000 0.416 20 L N 5.447 126.694 121.223 0.040 0.000 2.342 20 L HA 0.314 4.654 4.340 -0.001 0.000 0.285 20 L C -0.455 176.357 176.870 -0.097 0.000 1.095 20 L CA -0.134 54.685 54.840 -0.035 0.000 0.843 20 L CB 0.192 42.249 42.059 -0.003 0.000 1.201 20 L HN 0.404 nan 8.230 nan 0.000 0.445 21 K N 4.621 124.940 120.400 -0.136 0.000 2.159 21 K HA 0.347 4.666 4.320 -0.001 0.000 0.266 21 K C -1.297 175.150 176.600 -0.254 0.000 0.975 21 K CA -0.602 55.616 56.287 -0.115 0.000 0.865 21 K CB 1.008 33.482 32.500 -0.044 0.000 1.087 21 K HN 0.388 nan 8.250 nan 0.000 0.446 22 F N 3.035 122.902 119.950 -0.139 0.000 2.350 22 F HA 0.196 4.723 4.527 -0.001 0.000 0.365 22 F C -0.119 175.576 175.800 -0.175 0.000 1.122 22 F CA -0.301 57.569 58.000 -0.218 0.000 1.139 22 F CB 1.054 39.814 39.000 -0.401 0.000 1.220 22 F HN 0.469 nan 8.300 nan 0.000 0.499 23 D N 4.630 125.042 120.400 0.019 0.000 2.381 23 D HA 0.098 4.738 4.640 -0.001 0.000 0.245 23 D C -1.213 175.079 176.300 -0.013 0.000 1.297 23 D CA -0.451 53.546 54.000 -0.004 0.000 0.931 23 D CB 0.796 41.584 40.800 -0.019 0.000 1.334 23 D HN 0.281 nan 8.370 nan 0.000 0.535 24 L N 4.021 125.239 121.223 -0.008 0.000 2.574 24 L HA 0.179 4.519 4.340 -0.001 0.000 0.281 24 L C 0.085 176.947 176.870 -0.013 0.000 1.212 24 L CA -0.005 54.829 54.840 -0.010 0.000 1.082 24 L CB -0.362 41.690 42.059 -0.012 0.000 1.362 24 L HN 0.111 nan 8.230 nan 0.000 0.451 25 K N 4.329 124.717 120.400 -0.019 0.000 2.466 25 K HA 0.237 4.557 4.320 -0.001 0.000 0.278 25 K C 1.202 177.795 176.600 -0.012 0.000 1.048 25 K CA 0.788 57.064 56.287 -0.019 0.000 1.088 25 K CB -0.016 32.466 32.500 -0.030 0.000 0.884 25 K HN 0.862 nan 8.250 nan 0.000 0.478 26 G N 2.719 111.514 108.800 -0.009 0.000 2.313 26 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.215 26 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.215 26 G C 0.057 174.957 174.900 0.000 0.000 1.023 26 G CA -0.338 44.760 45.100 -0.004 0.000 0.626 26 G HN 0.536 nan 8.290 nan 0.000 0.503 27 E N 0.557 120.758 120.200 0.001 0.000 2.254 27 E HA 0.548 4.897 4.350 -0.001 0.000 0.261 27 E C 1.440 178.041 176.600 0.001 0.000 1.051 27 E CA 0.179 56.581 56.400 0.005 0.000 0.902 27 E CB 1.382 31.088 29.700 0.010 0.000 1.168 27 E HN 0.379 nan 8.360 nan 0.000 0.423 28 S N -0.848 114.854 115.700 0.003 0.000 2.458 28 S HA 0.031 4.501 4.470 -0.001 0.000 0.223 28 S C 1.139 175.739 174.600 0.000 0.000 1.019 28 S CA 0.219 58.420 58.200 0.002 0.000 0.937 28 S CB -0.237 62.964 63.200 0.002 0.000 0.788 28 S HN 0.374 nan 8.310 nan 0.000 0.511 29 V N -1.155 118.758 119.914 -0.001 0.000 3.158 29 V HA 0.641 4.761 4.120 -0.001 0.000 0.311 29 V C -1.425 174.652 176.094 -0.028 0.000 1.181 29 V CA -1.419 60.876 62.300 -0.009 0.000 1.054 29 V CB 1.545 33.370 31.823 0.003 0.000 1.085 29 V HN 0.131 nan 8.190 nan 0.000 0.446 30 N N 2.036 120.695 118.700 -0.068 0.000 2.430 30 N HA 0.618 5.358 4.740 -0.001 0.000 0.292 30 N C -1.020 174.401 175.510 -0.149 0.000 1.051 30 N CA -0.529 52.440 53.050 -0.136 0.000 0.917 30 N CB 1.863 40.203 38.487 -0.245 0.000 1.164 30 N HN 0.917 nan 8.380 nan 0.000 0.484 31 K N -0.354 119.951 120.400 -0.159 0.000 2.575 31 K HA 0.382 4.702 4.320 -0.001 0.000 0.279 31 K C -1.356 175.173 176.600 -0.118 0.000 0.969 31 K CA -0.727 55.518 56.287 -0.069 0.000 0.868 31 K CB 0.801 33.345 32.500 0.074 0.000 1.457 31 K HN 0.094 nan 8.250 nan 0.000 0.426 32 F N 2.763 122.744 119.950 0.050 0.000 2.626 32 F HA 0.136 4.663 4.527 -0.001 0.000 0.353 32 F C 0.252 176.215 175.800 0.272 0.000 1.230 32 F CA -0.408 57.663 58.000 0.118 0.000 1.298 32 F CB -0.561 38.492 39.000 0.088 0.000 1.670 32 F HN 0.548 nan 8.300 nan 0.000 0.633 33 N N -0.403 118.507 118.700 0.351 0.000 2.418 33 N HA 0.247 4.986 4.740 -0.001 0.000 0.283 33 N C 1.293 177.011 175.510 0.348 0.000 1.267 33 N CA -0.784 52.525 53.050 0.431 0.000 0.975 33 N CB 0.482 39.114 38.487 0.242 0.000 1.167 33 N HN 0.077 nan 8.380 nan 0.000 0.581 34 R N -0.703 119.881 120.500 0.140 0.000 2.094 34 R HA -0.084 4.256 4.340 -0.001 0.000 0.239 34 R C 1.808 178.137 176.300 0.050 0.000 1.137 34 R CA 1.284 57.372 56.100 -0.020 0.000 0.943 34 R CB -1.268 28.957 30.300 -0.125 0.000 0.850 34 R HN 0.696 nan 8.270 nan 0.000 0.433 35 L N 0.094 121.349 121.223 0.053 0.000 2.013 35 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 35 L C 1.825 178.729 176.870 0.057 0.000 1.073 35 L CA 2.474 57.342 54.840 0.046 0.000 0.753 35 L CB -1.107 40.976 42.059 0.039 0.000 0.890 35 L HN 0.292 nan 8.230 nan 0.000 0.432 36 T N -0.132 114.464 114.554 0.070 0.000 2.674 36 T HA -0.174 4.175 4.350 -0.001 0.000 0.265 36 T C 1.999 176.747 174.700 0.080 0.000 1.039 36 T CA 1.787 63.913 62.100 0.043 0.000 1.150 36 T CB -0.414 68.423 68.868 -0.052 0.000 0.864 36 T HN 0.311 nan 8.240 nan 0.000 0.427 37 L N 0.869 122.198 121.223 0.176 0.000 2.079 37 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 37 L C 2.487 179.398 176.870 0.070 0.000 1.081 37 L CA 1.343 56.298 54.840 0.191 0.000 0.752 37 L CB -0.548 41.676 42.059 0.275 0.000 0.896 37 L HN 0.399 nan 8.230 nan 0.000 0.433 38 N N -0.660 118.072 118.700 0.054 0.000 2.106 38 N HA -0.196 4.543 4.740 -0.001 0.000 0.188 38 N C 1.598 177.100 175.510 -0.012 0.000 1.029 38 N CA 1.074 54.133 53.050 0.016 0.000 0.848 38 N CB 0.075 38.573 38.487 0.018 0.000 1.007 38 N HN 0.380 nan 8.380 nan 0.000 0.423 39 E N 0.882 121.087 120.200 0.009 0.000 2.204 39 E HA -0.126 4.223 4.350 -0.001 0.000 0.194 39 E C 2.030 178.549 176.600 -0.134 0.000 0.989 39 E CA 0.346 56.749 56.400 0.004 0.000 0.824 39 E CB 0.026 29.798 29.700 0.120 0.000 0.756 39 E HN 0.371 nan 8.360 nan 0.000 0.477 40 L N 0.831 121.992 121.223 -0.103 0.000 2.046 40 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 40 L C 2.695 179.455 176.870 -0.183 0.000 1.077 40 L CA 1.086 55.829 54.840 -0.162 0.000 0.747 40 L CB -0.089 41.897 42.059 -0.121 0.000 0.896 40 L HN 0.040 nan 8.230 nan 0.000 0.432 41 R N 0.154 120.571 120.500 -0.138 0.000 2.080 41 R HA -0.227 4.113 4.340 -0.001 0.000 0.236 41 R C 2.210 178.406 176.300 -0.173 0.000 1.137 41 R CA 1.967 57.996 56.100 -0.119 0.000 0.943 41 R CB -0.450 29.808 30.300 -0.070 0.000 0.846 41 R HN 0.456 nan 8.270 nan 0.000 0.431 42 Q N -0.714 118.938 119.800 -0.245 0.000 2.167 42 Q HA -0.052 4.288 4.340 -0.001 0.000 0.202 42 Q C 2.092 177.731 176.000 -0.602 0.000 0.970 42 Q CA 1.439 57.015 55.803 -0.379 0.000 0.855 42 Q CB -0.148 28.344 28.738 -0.409 0.000 0.911 42 Q HN 0.480 nan 8.270 nan 0.000 0.438 43 A N 0.597 123.026 122.820 -0.651 0.000 1.854 43 A HA -0.109 4.210 4.320 -0.001 0.000 0.214 43 A C 2.374 179.818 177.584 -0.234 0.000 1.192 43 A CA 1.174 52.886 52.037 -0.541 0.000 0.611 43 A CB -0.736 18.049 19.000 -0.359 0.000 0.832 43 A HN 0.183 nan 8.150 nan 0.000 0.442 44 V N 1.000 120.829 119.914 -0.141 0.000 2.287 44 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 44 V C 2.139 178.195 176.094 -0.063 0.000 1.053 44 V CA 2.345 64.629 62.300 -0.027 0.000 1.027 44 V CB -0.858 30.979 31.823 0.023 0.000 0.646 44 V HN 0.519 nan 8.190 nan 0.000 0.447 45 D N 0.121 120.463 120.400 -0.098 0.000 2.178 45 D HA -0.120 4.520 4.640 -0.001 0.000 0.201 45 D C 2.197 178.449 176.300 -0.081 0.000 0.980 45 D CA 1.560 55.512 54.000 -0.080 0.000 0.842 45 D CB -0.099 40.650 40.800 -0.085 0.000 0.948 45 D HN 0.476 nan 8.370 nan 0.000 0.472 46 A N 1.181 123.931 122.820 -0.117 0.000 1.841 46 A HA -0.135 4.184 4.320 -0.001 0.000 0.214 46 A C 2.386 179.941 177.584 -0.049 0.000 1.195 46 A CA 0.884 52.873 52.037 -0.082 0.000 0.611 46 A CB -0.785 18.154 19.000 -0.102 0.000 0.835 46 A HN 0.141 nan 8.150 nan 0.000 0.443 47 I N -0.448 120.091 120.570 -0.051 0.000 2.163 47 I HA -0.308 3.862 4.170 -0.001 0.000 0.243 47 I C 2.568 178.657 176.117 -0.047 0.000 1.085 47 I CA 2.038 63.313 61.300 -0.040 0.000 1.347 47 I CB -0.339 37.637 38.000 -0.039 0.000 1.044 47 I HN 0.391 nan 8.210 nan 0.000 0.408 48 K N 1.238 121.607 120.400 -0.051 0.000 2.044 48 K HA -0.233 4.086 4.320 -0.001 0.000 0.210 48 K C 2.171 178.750 176.600 -0.034 0.000 1.049 48 K CA 1.818 58.077 56.287 -0.046 0.000 0.927 48 K CB -0.180 32.296 32.500 -0.039 0.000 0.713 48 K HN 0.329 nan 8.250 nan 0.000 0.443 49 A N 0.800 123.601 122.820 -0.032 0.000 1.930 49 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 49 A C 0.759 178.331 177.584 -0.020 0.000 1.175 49 A CA 1.152 53.175 52.037 -0.024 0.000 0.627 49 A CB -0.379 18.607 19.000 -0.023 0.000 0.815 49 A HN 0.448 nan 8.150 nan 0.000 0.443 50 D N -0.015 120.372 120.400 -0.021 0.000 2.346 50 D HA 0.432 5.072 4.640 -0.001 0.000 0.260 50 D C 0.829 177.117 176.300 -0.020 0.000 1.252 50 D CA 0.585 54.575 54.000 -0.017 0.000 0.895 50 D CB 1.111 41.902 40.800 -0.015 0.000 1.097 50 D HN 0.156 nan 8.370 nan 0.000 0.489 51 A N 2.892 125.703 122.820 -0.016 0.000 2.238 51 A HA -0.021 4.299 4.320 -0.001 0.000 0.208 51 A C 1.866 179.441 177.584 -0.015 0.000 1.177 51 A CA 0.738 52.766 52.037 -0.015 0.000 0.804 51 A CB -0.196 18.797 19.000 -0.011 0.000 0.823 51 A HN 0.535 nan 8.150 nan 0.000 0.482 52 S N -0.690 115.001 115.700 -0.015 0.000 2.527 52 S HA 0.108 4.578 4.470 -0.001 0.000 0.222 52 S C 0.553 175.141 174.600 -0.020 0.000 0.985 52 S CA 0.170 58.361 58.200 -0.014 0.000 0.921 52 S CB -0.687 62.507 63.200 -0.011 0.000 0.772 52 S HN 0.110 nan 8.310 nan 0.000 0.529 53 V N 2.896 122.795 119.914 -0.026 0.000 2.673 53 V HA 0.159 4.278 4.120 -0.001 0.000 0.303 53 V C 0.832 176.899 176.094 -0.045 0.000 1.046 53 V CA 0.201 62.480 62.300 -0.036 0.000 1.126 53 V CB 0.566 32.362 31.823 -0.045 0.000 0.934 53 V HN 0.342 nan 8.190 nan 0.000 0.487 54 K N 2.868 123.238 120.400 -0.050 0.000 2.469 54 K HA 0.427 4.747 4.320 -0.001 0.000 0.204 54 K C 0.348 176.893 176.600 -0.093 0.000 1.047 54 K CA 0.431 56.682 56.287 -0.060 0.000 1.072 54 K CB 1.278 33.753 32.500 -0.042 0.000 0.863 54 K HN 0.961 nan 8.250 nan 0.000 0.530 55 G N -0.150 108.589 108.800 -0.102 0.000 2.358 55 G HA2 0.242 4.201 3.960 -0.001 0.000 0.303 55 G HA3 0.242 4.201 3.960 -0.001 0.000 0.303 55 G C -1.845 173.003 174.900 -0.087 0.000 1.537 55 G CA -0.756 44.267 45.100 -0.128 0.000 0.928 55 G HN -0.143 nan 8.290 nan 0.000 0.656 56 V N 1.131 120.996 119.914 -0.081 0.000 2.577 56 V HA 0.624 4.744 4.120 -0.001 0.000 0.303 56 V C -0.115 176.024 176.094 0.075 0.000 1.042 56 V CA -0.638 61.658 62.300 -0.007 0.000 0.872 56 V CB 1.692 33.495 31.823 -0.034 0.000 0.998 56 V HN 0.717 nan 8.190 nan 0.000 0.423 57 I N 4.423 125.053 120.570 0.099 0.000 2.378 57 I HA 0.524 4.693 4.170 -0.001 0.000 0.291 57 I C -0.584 175.644 176.117 0.185 0.000 0.992 57 I CA -0.939 60.440 61.300 0.132 0.000 1.154 57 I CB 2.055 40.105 38.000 0.084 0.000 1.315 57 I HN 0.275 nan 8.210 nan 0.000 0.448 58 V N 5.437 125.506 119.914 0.257 0.000 2.394 58 V HA 0.526 4.646 4.120 -0.001 0.000 0.282 58 V C 0.235 176.552 176.094 0.373 0.000 1.031 58 V CA -0.212 62.276 62.300 0.313 0.000 0.881 58 V CB 1.214 33.283 31.823 0.409 0.000 0.982 58 V HN 0.953 nan 8.190 nan 0.000 0.451 59 S N 3.065 118.959 115.700 0.323 0.000 2.851 59 S HA 0.858 5.327 4.470 -0.001 0.000 0.313 59 S C -0.508 174.241 174.600 0.249 0.000 1.163 59 S CA -0.696 57.705 58.200 0.336 0.000 0.850 59 S CB 2.107 65.421 63.200 0.190 0.000 1.245 59 S HN 0.785 nan 8.310 nan 0.000 0.558 60 S N -1.373 114.441 115.700 0.189 0.000 2.540 60 S HA 0.643 5.112 4.470 -0.001 0.000 0.275 60 S C 0.180 174.819 174.600 0.066 0.000 1.123 60 S CA -0.207 58.032 58.200 0.064 0.000 0.907 60 S CB 1.175 64.369 63.200 -0.010 0.000 1.081 60 S HN 1.383 nan 8.310 nan 0.000 0.476 61 G N 3.359 112.178 108.800 0.032 0.000 3.609 61 G HA2 0.300 4.259 3.960 -0.001 0.000 0.280 61 G HA3 0.300 4.259 3.960 -0.001 0.000 0.280 61 G C 0.107 175.019 174.900 0.020 0.000 1.155 61 G CA -0.241 44.874 45.100 0.026 0.000 0.876 61 G HN 0.459 nan 8.290 nan 0.000 0.535 62 K N -0.353 120.061 120.400 0.024 0.000 2.246 62 K HA 0.342 4.661 4.320 -0.001 0.000 0.239 62 K C 0.059 176.682 176.600 0.039 0.000 1.089 62 K CA -0.810 55.490 56.287 0.020 0.000 0.892 62 K CB 0.834 33.336 32.500 0.003 0.000 1.334 62 K HN -0.180 nan 8.250 nan 0.000 0.507 63 D N 0.489 120.910 120.400 0.035 0.000 2.289 63 D HA -0.020 4.619 4.640 -0.001 0.000 0.207 63 D C 0.799 177.136 176.300 0.061 0.000 0.966 63 D CA 0.842 54.868 54.000 0.044 0.000 0.868 63 D CB 0.388 41.208 40.800 0.032 0.000 0.943 63 D HN 0.272 nan 8.370 nan 0.000 0.514 64 V N -2.187 117.763 119.914 0.060 0.000 2.919 64 V HA 0.354 4.473 4.120 -0.001 0.000 0.316 64 V C 0.868 177.032 176.094 0.117 0.000 1.077 64 V CA -1.070 61.283 62.300 0.089 0.000 0.977 64 V CB 1.806 33.667 31.823 0.063 0.000 1.039 64 V HN -0.160 nan 8.190 nan 0.000 0.441 65 F N 2.593 122.551 119.950 0.012 0.000 2.012 65 F HA 0.436 4.963 4.527 -0.000 0.000 0.289 65 F C 0.724 176.491 175.800 -0.054 0.000 1.185 65 F CA 1.114 59.116 58.000 0.003 0.000 1.149 65 F CB 0.237 39.246 39.000 0.015 0.000 0.994 65 F HN 0.406 nan 8.300 nan 0.000 0.481 66 I N 1.553 122.123 120.570 0.001 0.000 2.529 66 I HA 0.219 4.389 4.170 -0.001 0.000 0.284 66 I C -1.005 175.154 176.117 0.070 0.000 1.088 66 I CA -1.032 60.169 61.300 -0.164 0.000 1.062 66 I CB 1.724 39.512 38.000 -0.354 0.000 1.218 66 I HN 0.004 nan 8.210 nan 0.000 0.442 67 V N 2.879 122.821 119.914 0.047 0.000 2.953 67 V HA 0.723 4.842 4.120 -0.001 0.000 0.304 67 V C 1.339 177.516 176.094 0.139 0.000 1.073 67 V CA 0.233 62.591 62.300 0.098 0.000 1.064 67 V CB 0.699 32.569 31.823 0.079 0.000 1.047 67 V HN 0.896 nan 8.190 nan 0.000 0.478 68 G N 1.900 110.787 108.800 0.146 0.000 3.304 68 G HA2 0.127 4.086 3.960 -0.001 0.000 0.859 68 G HA3 0.127 4.086 3.960 -0.001 0.000 0.859 68 G C 0.388 175.388 174.900 0.166 0.000 0.958 68 G CA 1.628 46.819 45.100 0.151 0.000 0.765 68 G HN 2.285 nan 8.290 nan 0.000 1.149 69 A N -1.506 121.380 122.820 0.111 0.000 2.574 69 A HA 0.560 4.880 4.320 -0.001 0.000 0.297 69 A C -1.263 176.323 177.584 0.004 0.000 1.062 69 A CA 0.154 52.222 52.037 0.051 0.000 0.686 69 A CB 1.769 20.684 19.000 -0.142 0.000 1.285 69 A HN 0.629 nan 8.150 nan 0.000 0.403 70 D N 2.169 122.655 120.400 0.142 0.000 2.468 70 D HA 0.422 5.061 4.640 -0.001 0.000 0.218 70 D C 0.870 177.249 176.300 0.131 0.000 1.155 70 D CA -0.190 53.995 54.000 0.308 0.000 0.924 70 D CB -0.072 40.935 40.800 0.344 0.000 1.029 70 D HN 0.402 nan 8.370 nan 0.000 0.515 71 I N 1.763 122.109 120.570 -0.373 0.000 2.916 71 I HA -0.177 3.992 4.170 -0.001 0.000 0.267 71 I C 2.285 178.537 176.117 0.226 0.000 1.263 71 I CA 0.696 61.887 61.300 -0.182 0.000 1.471 71 I CB -0.546 37.131 38.000 -0.539 0.000 1.089 71 I HN 0.460 nan 8.210 nan 0.000 0.468 72 T N -0.376 114.361 114.554 0.306 0.000 2.822 72 T HA -0.237 4.113 4.350 -0.001 0.000 0.270 72 T C 1.320 176.172 174.700 0.254 0.000 1.064 72 T CA 1.590 63.872 62.100 0.303 0.000 1.131 72 T CB -0.540 68.507 68.868 0.298 0.000 0.858 72 T HN 0.672 nan 8.240 nan 0.000 0.483 73 E N -0.413 119.965 120.200 0.296 0.000 2.444 73 E HA 0.220 4.569 4.350 -0.001 0.000 0.191 73 E C 0.386 176.975 176.600 -0.020 0.000 1.041 73 E CA -0.234 56.244 56.400 0.130 0.000 0.883 73 E CB -0.131 29.605 29.700 0.060 0.000 1.024 73 E HN 0.553 nan 8.360 nan 0.000 0.470 74 F N -0.022 119.949 119.950 0.035 0.000 2.706 74 F HA 0.152 4.679 4.527 -0.001 0.000 0.308 74 F C 1.800 177.521 175.800 -0.131 0.000 1.095 74 F CA -0.291 57.650 58.000 -0.099 0.000 1.244 74 F CB 0.529 39.488 39.000 -0.069 0.000 1.063 74 F HN -0.113 nan 8.300 nan 0.000 0.582 75 V N -0.067 120.030 119.914 0.305 0.000 2.332 75 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 75 V C 2.371 178.593 176.094 0.213 0.000 1.055 75 V CA 1.818 64.347 62.300 0.382 0.000 1.038 75 V CB -0.348 31.630 31.823 0.258 0.000 0.651 75 V HN 0.222 nan 8.190 nan 0.000 0.450 76 E N 0.159 120.407 120.200 0.081 0.000 2.338 76 E HA -0.145 4.205 4.350 -0.001 0.000 0.197 76 E C 1.341 177.930 176.600 -0.018 0.000 1.007 76 E CA 0.684 57.104 56.400 0.033 0.000 0.849 76 E CB -0.339 29.362 29.700 0.002 0.000 0.774 76 E HN 0.607 nan 8.360 nan 0.000 0.506 77 N N -0.748 117.878 118.700 -0.123 0.000 2.378 77 N HA 0.051 4.791 4.740 -0.001 0.000 0.243 77 N C -0.174 175.134 175.510 -0.337 0.000 1.137 77 N CA 0.011 52.923 53.050 -0.231 0.000 0.862 77 N CB 0.126 38.419 38.487 -0.324 0.000 1.116 77 N HN -0.057 nan 8.380 nan 0.000 0.499 78 F N -1.030 118.947 119.950 0.045 0.000 2.856 78 F HA 0.334 4.860 4.527 -0.001 0.000 0.338 78 F C 1.683 177.480 175.800 -0.003 0.000 1.005 78 F CA -0.154 57.857 58.000 0.018 0.000 1.155 78 F CB 0.389 39.387 39.000 -0.004 0.000 1.010 78 F HN -0.063 nan 8.300 nan 0.000 0.587 79 K N 0.709 121.214 120.400 0.175 0.000 2.486 79 K HA 0.114 4.434 4.320 -0.001 0.000 0.194 79 K C 0.599 177.238 176.600 0.065 0.000 1.033 79 K CA 0.264 56.609 56.287 0.098 0.000 1.004 79 K CB 0.087 32.631 32.500 0.073 0.000 0.798 79 K HN 0.161 nan 8.250 nan 0.000 0.495 80 L N 1.424 122.685 121.223 0.062 0.000 2.472 80 L HA 0.126 4.466 4.340 -0.001 0.000 0.260 80 L C -2.070 174.828 176.870 0.046 0.000 1.209 80 L CA -2.038 52.827 54.840 0.041 0.000 0.817 80 L CB -0.024 42.051 42.059 0.026 0.000 1.106 80 L HN -0.165 nan 8.230 nan 0.000 0.479 81 P HA -0.001 nan 4.420 nan 0.000 0.269 81 P C -0.375 176.950 177.300 0.042 0.000 1.217 81 P CA -0.074 63.046 63.100 0.033 0.000 0.783 81 P CB 0.434 32.149 31.700 0.025 0.000 0.898 82 D N 0.818 121.242 120.400 0.040 0.000 2.271 82 D HA -0.175 4.465 4.640 -0.001 0.000 0.207 82 D C 1.739 178.069 176.300 0.051 0.000 0.983 82 D CA 1.739 55.767 54.000 0.048 0.000 0.878 82 D CB -0.347 40.476 40.800 0.038 0.000 0.920 82 D HN 0.331 nan 8.370 nan 0.000 0.479 83 A N 0.671 123.515 122.820 0.040 0.000 1.878 83 A HA -0.083 4.236 4.320 -0.001 0.000 0.213 83 A C 1.810 179.417 177.584 0.038 0.000 1.192 83 A CA 0.692 52.752 52.037 0.037 0.000 0.619 83 A CB -0.273 18.744 19.000 0.028 0.000 0.837 83 A HN 0.119 nan 8.150 nan 0.000 0.446 84 E N -0.550 119.671 120.200 0.034 0.000 2.516 84 E HA 0.053 4.403 4.350 -0.001 0.000 0.199 84 E C 1.409 178.030 176.600 0.035 0.000 1.069 84 E CA 0.118 56.535 56.400 0.029 0.000 0.876 84 E CB 0.007 29.719 29.700 0.020 0.000 0.843 84 E HN 0.623 nan 8.360 nan 0.000 0.530 85 L N -0.206 121.050 121.223 0.055 0.000 2.435 85 L HA 0.094 4.433 4.340 -0.001 0.000 0.195 85 L C 2.026 178.956 176.870 0.099 0.000 1.072 85 L CA 0.279 55.168 54.840 0.081 0.000 0.833 85 L CB 0.206 42.337 42.059 0.119 0.000 1.081 85 L HN 0.065 nan 8.230 nan 0.000 0.485 86 I N 0.489 121.116 120.570 0.095 0.000 2.127 86 I HA -0.295 3.874 4.170 -0.001 0.000 0.241 86 I C 2.662 178.824 176.117 0.075 0.000 1.075 86 I CA 1.398 62.755 61.300 0.095 0.000 1.334 86 I CB -0.480 37.567 38.000 0.079 0.000 1.040 86 I HN 0.301 nan 8.210 nan 0.000 0.405 87 A N 0.856 123.711 122.820 0.058 0.000 2.024 87 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 87 A C 2.373 179.989 177.584 0.053 0.000 1.164 87 A CA 1.822 53.888 52.037 0.049 0.000 0.643 87 A CB -1.312 17.710 19.000 0.037 0.000 0.806 87 A HN 0.509 nan 8.150 nan 0.000 0.451 88 G N 0.058 108.890 108.800 0.053 0.000 2.414 88 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.215 88 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.215 88 G C 1.432 176.380 174.900 0.080 0.000 1.188 88 G CA 0.974 46.103 45.100 0.048 0.000 0.783 88 G HN 0.713 nan 8.290 nan 0.000 0.537 89 N N 0.001 118.753 118.700 0.087 0.000 2.188 89 N HA -0.063 4.676 4.740 -0.001 0.000 0.184 89 N C 2.099 177.678 175.510 0.115 0.000 1.018 89 N CA 0.423 53.528 53.050 0.093 0.000 0.858 89 N CB -0.107 38.389 38.487 0.015 0.000 0.989 89 N HN 0.103 nan 8.380 nan 0.000 0.426 90 L N 1.833 123.109 121.223 0.089 0.000 2.013 90 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 90 L C 2.435 179.367 176.870 0.102 0.000 1.073 90 L CA 1.626 56.517 54.840 0.086 0.000 0.753 90 L CB -0.619 41.478 42.059 0.064 0.000 0.890 90 L HN 0.213 nan 8.230 nan 0.000 0.432 91 E N -0.949 119.307 120.200 0.095 0.000 2.153 91 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 91 E C 2.138 178.815 176.600 0.127 0.000 0.988 91 E CA 0.995 57.449 56.400 0.090 0.000 0.811 91 E CB -0.007 29.733 29.700 0.067 0.000 0.746 91 E HN 0.504 nan 8.360 nan 0.000 0.466 92 A N 1.145 124.075 122.820 0.184 0.000 1.929 92 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 92 A C 1.880 179.646 177.584 0.303 0.000 1.176 92 A CA 1.170 53.367 52.037 0.266 0.000 0.628 92 A CB -0.386 18.889 19.000 0.460 0.000 0.816 92 A HN 0.247 nan 8.150 nan 0.000 0.444 93 N N -0.009 118.862 118.700 0.286 0.000 2.396 93 N HA -0.086 4.653 4.740 -0.001 0.000 0.180 93 N C 1.424 177.079 175.510 0.243 0.000 1.028 93 N CA 0.871 54.090 53.050 0.282 0.000 0.893 93 N CB -0.185 38.406 38.487 0.173 0.000 0.967 93 N HN 0.539 nan 8.380 nan 0.000 0.440 94 K N 0.864 121.366 120.400 0.170 0.000 2.152 94 K HA -0.056 4.264 4.320 -0.001 0.000 0.206 94 K C 1.986 178.656 176.600 0.116 0.000 1.048 94 K CA 0.752 57.111 56.287 0.121 0.000 0.933 94 K CB -0.014 32.535 32.500 0.082 0.000 0.721 94 K HN 0.176 nan 8.250 nan 0.000 0.447 95 I N 0.139 120.772 120.570 0.105 0.000 2.058 95 I HA -0.299 3.871 4.170 -0.001 0.000 0.235 95 I C 1.989 178.110 176.117 0.007 0.000 1.053 95 I CA 1.564 62.857 61.300 -0.011 0.000 1.313 95 I CB -0.534 37.362 38.000 -0.174 0.000 1.039 95 I HN 0.013 nan 8.210 nan 0.000 0.396 96 F N 1.151 121.123 119.950 0.036 0.000 2.126 96 F HA -0.232 4.294 4.527 -0.001 0.000 0.299 96 F C 2.850 178.734 175.800 0.140 0.000 1.096 96 F CA 1.595 59.637 58.000 0.070 0.000 1.255 96 F CB -1.053 37.938 39.000 -0.015 0.000 0.997 96 F HN -0.011 nan 8.300 nan 0.000 0.479 97 S N -0.263 115.610 115.700 0.289 0.000 2.370 97 S HA -0.201 4.269 4.470 -0.001 0.000 0.226 97 S C 1.727 176.422 174.600 0.158 0.000 1.033 97 S CA 1.556 59.872 58.200 0.193 0.000 1.011 97 S CB -0.395 62.889 63.200 0.141 0.000 0.852 97 S HN 0.379 nan 8.310 nan 0.000 0.457 98 D N 0.443 120.926 120.400 0.138 0.000 2.117 98 D HA -0.055 4.584 4.640 -0.001 0.000 0.198 98 D C 1.621 177.986 176.300 0.110 0.000 0.982 98 D CA 0.766 54.823 54.000 0.095 0.000 0.828 98 D CB -0.336 40.502 40.800 0.064 0.000 0.967 98 D HN 0.378 nan 8.370 nan 0.000 0.464 99 F N 1.800 121.760 119.950 0.015 0.000 2.202 99 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 99 F C 2.215 178.050 175.800 0.059 0.000 1.082 99 F CA 1.310 59.321 58.000 0.018 0.000 1.313 99 F CB 0.130 39.130 39.000 -0.001 0.000 1.024 99 F HN -0.107 nan 8.300 nan 0.000 0.495 100 E N -0.575 119.767 120.200 0.237 0.000 2.358 100 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 100 E C 0.976 177.618 176.600 0.071 0.000 1.010 100 E CA 0.974 57.474 56.400 0.167 0.000 0.856 100 E CB -0.062 29.756 29.700 0.196 0.000 0.795 100 E HN 0.400 nan 8.360 nan 0.000 0.504 101 D N 0.271 120.699 120.400 0.047 0.000 2.349 101 D HA 0.021 4.661 4.640 -0.001 0.000 0.214 101 D C -0.170 176.128 176.300 -0.004 0.000 1.063 101 D CA -0.079 53.939 54.000 0.030 0.000 0.847 101 D CB 0.318 41.139 40.800 0.035 0.000 0.933 101 D HN 0.134 nan 8.370 nan 0.000 0.513 102 L N 1.847 123.026 121.223 -0.074 0.000 2.584 102 L HA -0.045 4.295 4.340 -0.001 0.000 0.272 102 L C 0.821 177.665 176.870 -0.044 0.000 1.195 102 L CA 0.226 54.997 54.840 -0.115 0.000 0.920 102 L CB 0.070 41.958 42.059 -0.285 0.000 1.173 102 L HN -0.194 nan 8.230 nan 0.000 0.489 103 N N 3.358 122.054 118.700 -0.006 0.000 3.027 103 N HA 0.264 5.004 4.740 -0.001 0.000 0.309 103 N C -1.102 174.426 175.510 0.031 0.000 1.222 103 N CA 0.133 53.223 53.050 0.067 0.000 1.187 103 N CB -0.076 38.442 38.487 0.052 0.000 1.458 103 N HN 0.337 nan 8.380 nan 0.000 0.535 104 V N 1.684 121.554 119.914 -0.074 0.000 3.174 104 V HA 0.356 4.476 4.120 -0.001 0.000 0.280 104 V C -2.528 173.180 176.094 -0.643 0.000 1.554 104 V CA -1.599 60.519 62.300 -0.303 0.000 1.016 104 V CB 2.354 34.057 31.823 -0.200 0.000 1.197 104 V HN 0.241 nan 8.190 nan 0.000 0.453 105 P HA 0.344 nan 4.420 nan 0.000 0.268 105 P C -1.152 175.984 177.300 -0.273 0.000 1.205 105 P CA 0.196 62.870 63.100 -0.710 0.000 0.771 105 P CB 0.429 31.824 31.700 -0.508 0.000 0.858 106 T N -0.485 114.027 114.554 -0.070 0.000 2.928 106 T HA 0.618 4.967 4.350 -0.001 0.000 0.296 106 T C -0.815 174.018 174.700 0.222 0.000 1.000 106 T CA -0.668 61.459 62.100 0.046 0.000 0.989 106 T CB 0.606 69.457 68.868 -0.027 0.000 1.005 106 T HN 0.024 nan 8.240 nan 0.000 0.442 107 V N 1.820 121.861 119.914 0.212 0.000 2.735 107 V HA 0.861 4.981 4.120 -0.001 0.000 0.310 107 V C -0.031 176.199 176.094 0.226 0.000 1.061 107 V CA -1.102 61.336 62.300 0.230 0.000 0.913 107 V CB 2.018 33.924 31.823 0.139 0.000 1.005 107 V HN 1.272 nan 8.190 nan 0.000 0.428 108 A N 3.086 126.021 122.820 0.191 0.000 2.316 108 A HA 0.780 5.100 4.320 -0.001 0.000 0.324 108 A C 0.286 177.897 177.584 0.045 0.000 1.375 108 A CA -0.249 51.872 52.037 0.141 0.000 0.882 108 A CB 0.656 19.700 19.000 0.073 0.000 1.152 108 A HN 1.303 nan 8.150 nan 0.000 0.512 109 A N 4.068 126.949 122.820 0.102 0.000 2.805 109 A HA 0.499 4.818 4.320 -0.001 0.000 0.301 109 A C 0.141 177.739 177.584 0.024 0.000 1.557 109 A CA -0.209 51.871 52.037 0.072 0.000 1.254 109 A CB -0.837 18.233 19.000 0.116 0.000 1.114 109 A HN 0.757 nan 8.150 nan 0.000 0.553 110 I N 3.416 123.901 120.570 -0.142 0.000 2.494 110 I HA -0.030 4.140 4.170 -0.001 0.000 0.289 110 I C 1.359 177.472 176.117 -0.006 0.000 1.106 110 I CA -0.337 60.812 61.300 -0.250 0.000 1.369 110 I CB 0.328 38.145 38.000 -0.305 0.000 1.410 110 I HN 0.838 nan 8.210 nan 0.000 0.523 111 N N 5.308 124.086 118.700 0.129 0.000 2.387 111 N HA 0.061 4.800 4.740 -0.001 0.000 0.176 111 N C 0.640 176.214 175.510 0.107 0.000 1.022 111 N CA 0.507 53.631 53.050 0.124 0.000 0.883 111 N CB 0.595 39.176 38.487 0.157 0.000 1.019 111 N HN 0.597 nan 8.380 nan 0.000 0.435 112 G N 0.476 109.366 108.800 0.149 0.000 3.085 112 G HA2 0.457 4.417 3.960 -0.001 0.000 0.264 112 G HA3 0.457 4.417 3.960 -0.001 0.000 0.264 112 G C -0.798 174.177 174.900 0.125 0.000 1.206 112 G CA -0.665 44.505 45.100 0.115 0.000 0.809 112 G HN 0.013 nan 8.290 nan 0.000 0.592 113 I N 1.686 122.319 120.570 0.106 0.000 2.821 113 I HA 0.265 4.434 4.170 -0.001 0.000 0.294 113 I C 0.698 176.914 176.117 0.164 0.000 1.210 113 I CA 0.322 61.681 61.300 0.098 0.000 1.430 113 I CB 0.118 38.161 38.000 0.072 0.000 1.356 113 I HN 0.527 nan 8.210 nan 0.000 0.563 114 A N 8.562 131.464 122.820 0.137 0.000 3.082 114 A HA 0.639 4.959 4.320 -0.001 0.000 0.328 114 A C -0.389 177.275 177.584 0.134 0.000 1.089 114 A CA -0.507 51.647 52.037 0.195 0.000 0.802 114 A CB 0.253 19.313 19.000 0.100 0.000 1.138 114 A HN 0.624 nan 8.150 nan 0.000 0.474 115 L N 0.887 122.185 121.223 0.125 0.000 2.352 115 L HA 0.742 5.081 4.340 -0.001 0.000 0.269 115 L C 1.519 178.450 176.870 0.102 0.000 1.034 115 L CA 0.135 55.030 54.840 0.092 0.000 0.806 115 L CB 1.395 43.495 42.059 0.068 0.000 1.244 115 L HN 0.895 nan 8.230 nan 0.000 0.447 116 G N 1.438 110.281 108.800 0.071 0.000 2.660 116 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.321 116 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.321 116 G C 0.926 175.846 174.900 0.034 0.000 1.246 116 G CA 0.464 45.591 45.100 0.046 0.000 1.000 116 G HN 1.001 nan 8.290 nan 0.000 0.550 117 G N 0.536 109.355 108.800 0.032 0.000 2.470 117 G HA2 0.230 4.189 3.960 -0.001 0.000 0.220 117 G HA3 0.230 4.189 3.960 -0.001 0.000 0.220 117 G C 1.813 176.702 174.900 -0.017 0.000 1.121 117 G CA 1.824 46.876 45.100 -0.081 0.000 0.766 117 G HN 1.698 nan 8.290 nan 0.000 0.553 118 G N 0.650 109.584 108.800 0.224 0.000 2.422 118 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.218 118 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.218 118 G C 1.680 176.766 174.900 0.310 0.000 1.146 118 G CA 0.696 46.012 45.100 0.360 0.000 0.769 118 G HN 0.426 nan 8.290 nan 0.000 0.547 119 L N -0.148 121.176 121.223 0.168 0.000 2.131 119 L HA 0.089 4.429 4.340 -0.001 0.000 0.206 119 L C 2.823 179.738 176.870 0.075 0.000 1.087 119 L CA 0.893 55.801 54.840 0.114 0.000 0.767 119 L CB -0.206 41.920 42.059 0.111 0.000 0.917 119 L HN 0.293 nan 8.230 nan 0.000 0.441 120 E N -0.489 119.712 120.200 0.003 0.000 2.160 120 E HA -0.312 4.037 4.350 -0.001 0.000 0.195 120 E C 1.943 178.518 176.600 -0.041 0.000 0.991 120 E CA 1.521 57.857 56.400 -0.108 0.000 0.810 120 E CB -0.106 29.420 29.700 -0.289 0.000 0.742 120 E HN 0.388 nan 8.360 nan 0.000 0.466 121 M N 0.253 119.934 119.600 0.136 0.000 2.175 121 M HA -0.101 4.379 4.480 -0.001 0.000 0.264 121 M C 1.995 178.456 176.300 0.269 0.000 1.063 121 M CA 1.524 57.071 55.300 0.412 0.000 1.119 121 M CB -0.208 32.725 32.600 0.555 0.000 1.377 121 M HN 0.101 nan 8.290 nan 0.000 0.415 122 C N -0.170 119.252 119.300 0.203 0.000 2.453 122 C HA -0.048 4.412 4.460 -0.001 0.000 0.277 122 C C 2.586 177.644 174.990 0.113 0.000 1.262 122 C CA 0.702 59.789 59.018 0.115 0.000 1.718 122 C CB -1.379 26.347 27.740 -0.024 0.000 2.031 122 C HN 0.612 nan 8.230 nan 0.000 0.480 123 L N 1.235 122.509 121.223 0.085 0.000 2.261 123 L HA -0.183 4.157 4.340 -0.001 0.000 0.216 123 L C 2.761 179.694 176.870 0.105 0.000 1.114 123 L CA 1.314 56.189 54.840 0.059 0.000 0.777 123 L CB -0.697 41.374 42.059 0.021 0.000 0.910 123 L HN 0.383 nan 8.230 nan 0.000 0.440 124 A N 0.220 123.149 122.820 0.182 0.000 1.897 124 A HA 0.127 4.447 4.320 -0.001 0.000 0.215 124 A C 1.634 179.415 177.584 0.329 0.000 1.181 124 A CA 0.890 53.092 52.037 0.276 0.000 0.620 124 A CB -0.475 18.762 19.000 0.396 0.000 0.821 124 A HN 0.330 nan 8.150 nan 0.000 0.443 125 A N 0.023 123.064 122.820 0.368 0.000 2.409 125 A HA 0.285 4.605 4.320 -0.001 0.000 0.246 125 A C 0.765 178.468 177.584 0.198 0.000 1.099 125 A CA 0.401 52.670 52.037 0.387 0.000 0.789 125 A CB 0.117 19.361 19.000 0.407 0.000 1.053 125 A HN 0.406 nan 8.150 nan 0.000 0.503 126 D N -0.618 119.888 120.400 0.176 0.000 2.110 126 D HA 0.072 4.712 4.640 -0.001 0.000 0.202 126 D C -0.041 176.146 176.300 -0.187 0.000 0.975 126 D CA 1.401 55.410 54.000 0.015 0.000 0.839 126 D CB -0.134 40.757 40.800 0.152 0.000 0.996 126 D HN 0.441 nan 8.370 nan 0.000 0.464 127 F N -0.031 119.974 119.950 0.091 0.000 2.523 127 F HA 0.503 5.030 4.527 -0.001 0.000 0.329 127 F C 0.421 176.257 175.800 0.059 0.000 1.061 127 F CA -0.817 57.223 58.000 0.066 0.000 0.967 127 F CB 1.413 40.446 39.000 0.056 0.000 1.218 127 F HN -0.504 nan 8.300 nan 0.000 0.480 128 R N 1.059 121.687 120.500 0.214 0.000 2.502 128 R HA 0.617 4.957 4.340 -0.001 0.000 0.298 128 R C -1.776 174.578 176.300 0.091 0.000 1.018 128 R CA -0.643 55.523 56.100 0.112 0.000 0.899 128 R CB 2.142 32.470 30.300 0.046 0.000 1.181 128 R HN 0.390 nan 8.270 nan 0.000 0.444 129 V N 3.947 123.900 119.914 0.066 0.000 2.612 129 V HA 0.555 4.674 4.120 -0.001 0.000 0.301 129 V C 0.067 176.169 176.094 0.014 0.000 1.046 129 V CA -0.606 61.723 62.300 0.049 0.000 0.946 129 V CB 1.723 33.576 31.823 0.049 0.000 1.003 129 V HN 0.723 nan 8.190 nan 0.000 0.459 130 M N 2.768 122.379 119.600 0.019 0.000 2.433 130 M HA 0.742 5.222 4.480 -0.001 0.000 0.290 130 M C -0.629 175.684 176.300 0.020 0.000 1.173 130 M CA -0.572 54.732 55.300 0.007 0.000 0.905 130 M CB 2.134 34.740 32.600 0.010 0.000 1.692 130 M HN 0.771 nan 8.290 nan 0.000 0.462 131 A N 2.020 124.853 122.820 0.021 0.000 2.366 131 A HA 0.321 4.641 4.320 -0.001 0.000 0.272 131 A C 0.448 178.047 177.584 0.025 0.000 1.135 131 A CA -0.364 51.689 52.037 0.027 0.000 0.804 131 A CB 0.084 19.105 19.000 0.034 0.000 1.064 131 A HN 0.937 nan 8.150 nan 0.000 0.499 132 D N 1.746 122.160 120.400 0.024 0.000 2.315 132 D HA -0.179 4.460 4.640 -0.001 0.000 0.211 132 D C 1.229 177.540 176.300 0.018 0.000 0.977 132 D CA 1.626 55.639 54.000 0.021 0.000 0.894 132 D CB -0.349 40.462 40.800 0.019 0.000 0.910 132 D HN 0.458 nan 8.370 nan 0.000 0.490 133 S N -1.562 114.150 115.700 0.020 0.000 2.582 133 S HA 0.599 5.069 4.470 -0.001 0.000 0.234 133 S C 0.644 175.255 174.600 0.019 0.000 0.961 133 S CA -0.394 57.816 58.200 0.018 0.000 0.953 133 S CB -0.010 63.202 63.200 0.020 0.000 0.800 133 S HN 0.450 nan 8.310 nan 0.000 0.471 134 A N 1.433 124.265 122.820 0.020 0.000 2.261 134 A HA 0.858 5.178 4.320 -0.001 0.000 0.323 134 A C -0.194 177.396 177.584 0.010 0.000 1.107 134 A CA -0.797 51.253 52.037 0.022 0.000 0.883 134 A CB 0.993 20.008 19.000 0.025 0.000 1.251 134 A HN 0.454 nan 8.150 nan 0.000 0.502 135 K N -0.456 119.949 120.400 0.009 0.000 2.527 135 K HA 0.619 4.939 4.320 -0.001 0.000 0.260 135 K C -1.485 175.111 176.600 -0.007 0.000 0.937 135 K CA -0.310 55.969 56.287 -0.014 0.000 0.826 135 K CB 2.410 34.893 32.500 -0.028 0.000 1.359 135 K HN 0.756 nan 8.250 nan 0.000 0.434 136 I N -2.250 118.298 120.570 -0.035 0.000 2.894 136 I HA 0.909 5.079 4.170 -0.001 0.000 0.302 136 I C -0.431 175.626 176.117 -0.098 0.000 1.188 136 I CA -0.749 60.550 61.300 -0.001 0.000 1.014 136 I CB 2.534 40.587 38.000 0.089 0.000 1.242 136 I HN 0.697 nan 8.210 nan 0.000 0.430 137 G N 3.671 112.458 108.800 -0.022 0.000 2.349 137 G HA2 0.497 4.456 3.960 -0.001 0.000 0.294 137 G HA3 0.497 4.456 3.960 -0.001 0.000 0.294 137 G C -1.926 172.998 174.900 0.040 0.000 1.380 137 G CA -0.928 44.130 45.100 -0.070 0.000 0.811 137 G HN 0.661 nan 8.290 nan 0.000 0.519 138 L N 1.468 122.722 121.223 0.052 0.000 2.457 138 L HA 0.352 4.692 4.340 -0.001 0.000 0.252 138 L C -1.833 175.064 176.870 0.044 0.000 1.132 138 L CA -1.585 53.296 54.840 0.068 0.000 0.938 138 L CB 2.298 44.423 42.059 0.109 0.000 1.246 138 L HN 0.386 nan 8.230 nan 0.000 0.476 139 P HA -0.010 nan 4.420 nan 0.000 0.256 139 P C 0.570 177.883 177.300 0.023 0.000 1.335 139 P CA 0.186 63.295 63.100 0.015 0.000 0.808 139 P CB 0.312 32.017 31.700 0.008 0.000 1.305 140 E N 0.657 120.878 120.200 0.034 0.000 2.130 140 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 140 E C 2.047 178.660 176.600 0.022 0.000 0.998 140 E CA 1.731 58.148 56.400 0.029 0.000 0.806 140 E CB -1.188 28.544 29.700 0.054 0.000 0.738 140 E HN 0.315 nan 8.360 nan 0.000 0.459 141 V N -0.045 119.894 119.914 0.042 0.000 2.453 141 V HA -0.245 3.874 4.120 -0.001 0.000 0.252 141 V C 1.908 177.988 176.094 -0.024 0.000 1.068 141 V CA 1.941 64.261 62.300 0.033 0.000 1.070 141 V CB -0.644 31.218 31.823 0.066 0.000 0.664 141 V HN -0.031 nan 8.190 nan 0.000 0.461 142 K N 0.608 120.985 120.400 -0.038 0.000 2.442 142 K HA 0.183 4.503 4.320 -0.001 0.000 0.198 142 K C 1.659 178.194 176.600 -0.109 0.000 1.044 142 K CA 1.118 57.356 56.287 -0.082 0.000 0.948 142 K CB -0.470 31.994 32.500 -0.060 0.000 0.762 142 K HN 0.623 nan 8.250 nan 0.000 0.472 143 L N -1.945 119.231 121.223 -0.079 0.000 2.616 143 L HA 0.260 4.599 4.340 -0.001 0.000 0.229 143 L C 0.982 177.761 176.870 -0.153 0.000 1.110 143 L CA 0.283 55.064 54.840 -0.099 0.000 0.884 143 L CB 0.188 42.214 42.059 -0.056 0.000 1.115 143 L HN 0.323 nan 8.230 nan 0.000 0.481 144 G N 1.816 110.536 108.800 -0.133 0.000 2.141 144 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.242 144 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.242 144 G C 0.146 174.946 174.900 -0.168 0.000 0.982 144 G CA 0.415 45.430 45.100 -0.142 0.000 0.662 144 G HN 0.441 nan 8.290 nan 0.000 0.527 145 I N -2.717 117.769 120.570 -0.140 0.000 3.074 145 I HA 0.884 5.054 4.170 -0.001 0.000 0.310 145 I C -0.172 175.968 176.117 0.037 0.000 1.153 145 I CA -2.152 59.041 61.300 -0.178 0.000 0.993 145 I CB 1.714 39.552 38.000 -0.271 0.000 1.237 145 I HN 0.246 nan 8.210 nan 0.000 0.443 146 Y N 0.343 120.736 120.300 0.154 0.000 2.587 146 Y HA 0.833 5.383 4.550 -0.000 0.000 0.337 146 Y C -2.934 172.997 175.900 0.051 0.000 1.065 146 Y CA -3.867 54.289 58.100 0.094 0.000 1.126 146 Y CB -0.343 38.154 38.460 0.063 0.000 1.279 146 Y HN 0.290 nan 8.280 nan 0.000 0.489 147 P HA -0.003 nan 4.420 nan 0.000 0.259 147 P C 0.456 177.641 177.300 -0.191 0.000 1.155 147 P CA 1.580 64.677 63.100 -0.005 0.000 0.759 147 P CB 0.471 32.179 31.700 0.014 0.000 0.753 148 G N 1.615 110.011 108.800 -0.673 0.000 3.192 148 G HA2 0.067 4.027 3.960 -0.001 0.000 0.239 148 G HA3 0.067 4.027 3.960 -0.001 0.000 0.239 148 G C -0.073 174.332 174.900 -0.825 0.000 1.084 148 G CA 0.115 44.560 45.100 -1.092 0.000 0.784 148 G HN 0.355 nan 8.290 nan 0.000 0.540 149 F N 1.185 120.863 119.950 -0.454 0.000 2.848 149 F HA 0.466 4.993 4.527 -0.001 0.000 0.321 149 F C 1.437 176.953 175.800 -0.473 0.000 1.281 149 F CA -1.137 56.530 58.000 -0.554 0.000 1.209 149 F CB 0.814 39.263 39.000 -0.920 0.000 1.152 149 F HN 0.137 nan 8.300 nan 0.000 0.521 150 G N -0.105 108.618 108.800 -0.128 0.000 2.179 150 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.260 150 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.260 150 G C 1.519 176.372 174.900 -0.078 0.000 0.977 150 G CA 0.289 45.339 45.100 -0.083 0.000 0.641 150 G HN 0.753 nan 8.290 nan 0.000 0.533 151 G N 0.444 109.188 108.800 -0.093 0.000 2.446 151 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.217 151 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.217 151 G C 1.861 176.733 174.900 -0.047 0.000 1.168 151 G CA 2.362 47.427 45.100 -0.058 0.000 0.771 151 G HN 1.584 nan 8.290 nan 0.000 0.551 152 T N -1.515 113.003 114.554 -0.060 0.000 3.160 152 T HA 0.199 4.548 4.350 -0.001 0.000 0.257 152 T C 1.873 176.531 174.700 -0.071 0.000 1.147 152 T CA 1.008 63.047 62.100 -0.102 0.000 1.064 152 T CB 0.306 69.041 68.868 -0.221 0.000 0.949 152 T HN 0.056 nan 8.240 nan 0.000 0.526 153 V N 0.727 120.614 119.914 -0.045 0.000 2.627 153 V HA 0.194 4.314 4.120 -0.001 0.000 0.239 153 V C 2.847 178.927 176.094 -0.022 0.000 1.077 153 V CA 0.478 62.765 62.300 -0.022 0.000 1.103 153 V CB -0.269 31.552 31.823 -0.002 0.000 0.802 153 V HN 0.289 nan 8.190 nan 0.000 0.482 154 R N -0.102 120.383 120.500 -0.026 0.000 2.062 154 R HA -0.022 4.318 4.340 -0.001 0.000 0.229 154 R C 2.248 178.515 176.300 -0.055 0.000 1.128 154 R CA 1.190 57.273 56.100 -0.028 0.000 0.960 154 R CB -0.605 29.686 30.300 -0.014 0.000 0.855 154 R HN 0.289 nan 8.270 nan 0.000 0.432 155 L N 1.788 122.972 121.223 -0.065 0.000 2.012 155 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 155 L C -0.981 175.815 176.870 -0.125 0.000 1.073 155 L CA 2.012 56.788 54.840 -0.107 0.000 0.748 155 L CB -0.954 41.053 42.059 -0.087 0.000 0.891 155 L HN 0.021 nan 8.230 nan 0.000 0.431 156 P HA -0.149 nan 4.420 nan 0.000 0.216 156 P C 1.137 178.389 177.300 -0.079 0.000 1.150 156 P CA 1.651 64.705 63.100 -0.078 0.000 0.837 156 P CB -0.050 31.627 31.700 -0.037 0.000 0.786 157 R N -1.605 118.855 120.500 -0.066 0.000 2.246 157 R HA 0.183 4.523 4.340 -0.001 0.000 0.199 157 R C 2.138 178.390 176.300 -0.080 0.000 0.984 157 R CA 0.285 56.349 56.100 -0.060 0.000 1.015 157 R CB -0.529 29.749 30.300 -0.036 0.000 0.930 157 R HN 0.249 nan 8.270 nan 0.000 0.475 158 L N 0.881 122.043 121.223 -0.101 0.000 2.145 158 L HA 0.117 4.456 4.340 -0.001 0.000 0.201 158 L C 1.985 178.764 176.870 -0.151 0.000 1.075 158 L CA 1.025 55.794 54.840 -0.118 0.000 0.773 158 L CB 0.239 42.226 42.059 -0.120 0.000 0.936 158 L HN 0.150 nan 8.230 nan 0.000 0.451 159 I N -3.865 116.586 120.570 -0.197 0.000 4.181 159 I HA 0.480 4.650 4.170 -0.001 0.000 0.331 159 I C 0.546 176.544 176.117 -0.198 0.000 1.312 159 I CA 0.222 61.379 61.300 -0.237 0.000 1.146 159 I CB 0.594 38.353 38.000 -0.401 0.000 1.074 159 I HN 0.137 nan 8.210 nan 0.000 0.402 160 G N 1.009 109.709 108.800 -0.166 0.000 2.640 160 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.686 160 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.686 160 G C -0.082 174.732 174.900 -0.142 0.000 1.229 160 G CA -0.471 44.544 45.100 -0.142 0.000 0.796 160 G HN -0.060 nan 8.290 nan 0.000 0.654 161 V N 1.649 121.480 119.914 -0.138 0.000 2.215 161 V HA -0.256 3.864 4.120 -0.001 0.000 0.249 161 V C 2.697 178.713 176.094 -0.130 0.000 1.054 161 V CA 2.859 65.074 62.300 -0.143 0.000 1.012 161 V CB -0.674 30.991 31.823 -0.264 0.000 0.639 161 V HN 0.853 nan 8.190 nan 0.000 0.448 162 D N 0.217 120.528 120.400 -0.149 0.000 2.133 162 D HA -0.205 4.434 4.640 -0.001 0.000 0.192 162 D C 1.987 178.246 176.300 -0.068 0.000 1.001 162 D CA 1.769 55.703 54.000 -0.110 0.000 0.844 162 D CB -0.484 40.249 40.800 -0.112 0.000 0.944 162 D HN 0.502 nan 8.370 nan 0.000 0.447 163 N N 0.753 119.393 118.700 -0.099 0.000 2.188 163 N HA -0.088 4.651 4.740 -0.001 0.000 0.184 163 N C 1.858 177.289 175.510 -0.132 0.000 1.018 163 N CA 1.015 53.993 53.050 -0.120 0.000 0.858 163 N CB -0.172 38.172 38.487 -0.239 0.000 0.989 163 N HN 0.148 nan 8.380 nan 0.000 0.426 164 A N 1.048 123.788 122.820 -0.133 0.000 1.872 164 A HA -0.034 4.286 4.320 -0.001 0.000 0.214 164 A C 2.523 180.130 177.584 0.039 0.000 1.187 164 A CA 1.049 53.040 52.037 -0.075 0.000 0.614 164 A CB -0.776 18.173 19.000 -0.085 0.000 0.826 164 A HN 0.074 nan 8.150 nan 0.000 0.442 165 V N 0.293 120.219 119.914 0.019 0.000 2.392 165 V HA -0.304 3.815 4.120 -0.001 0.000 0.249 165 V C 2.515 178.669 176.094 0.100 0.000 1.059 165 V CA 2.454 64.780 62.300 0.042 0.000 1.051 165 V CB -0.763 31.069 31.823 0.014 0.000 0.658 165 V HN 0.775 nan 8.190 nan 0.000 0.455 166 E N -1.099 119.179 120.200 0.131 0.000 2.028 166 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 166 E C 2.084 178.852 176.600 0.280 0.000 0.988 166 E CA 1.587 58.105 56.400 0.197 0.000 0.799 166 E CB -0.184 29.636 29.700 0.201 0.000 0.755 166 E HN 0.639 nan 8.360 nan 0.000 0.447 167 W N 0.964 122.275 121.300 0.019 0.000 2.342 167 W HA -0.099 4.561 4.660 -0.000 0.000 0.297 167 W C 2.094 178.629 176.519 0.027 0.000 1.213 167 W CA 0.879 58.235 57.345 0.018 0.000 1.251 167 W CB -0.384 29.078 29.460 0.003 0.000 1.136 167 W HN 0.183 nan 8.180 nan 0.000 0.526 168 I N -0.677 120.047 120.570 0.257 0.000 2.188 168 I HA -0.201 3.969 4.170 -0.001 0.000 0.237 168 I C 2.560 178.761 176.117 0.140 0.000 1.073 168 I CA 1.243 62.639 61.300 0.159 0.000 1.359 168 I CB -1.287 36.772 38.000 0.098 0.000 1.083 168 I HN -0.140 nan 8.210 nan 0.000 0.412 169 A N 1.100 124.007 122.820 0.146 0.000 1.917 169 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 169 A C 2.491 180.233 177.584 0.263 0.000 1.182 169 A CA 2.787 54.938 52.037 0.189 0.000 0.633 169 A CB -0.921 18.179 19.000 0.167 0.000 0.819 169 A HN 0.578 nan 8.150 nan 0.000 0.448 170 S N -2.075 113.755 115.700 0.217 0.000 2.388 170 S HA 0.326 4.796 4.470 -0.001 0.000 0.223 170 S C 1.649 176.266 174.600 0.029 0.000 1.034 170 S CA 1.303 59.574 58.200 0.118 0.000 0.963 170 S CB -0.727 62.522 63.200 0.082 0.000 0.827 170 S HN 2.066 nan 8.310 nan 0.000 0.481 171 G N 2.329 111.149 108.800 0.034 0.000 2.147 171 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.244 171 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.244 171 G C -0.120 174.743 174.900 -0.062 0.000 1.005 171 G CA 0.334 45.433 45.100 -0.001 0.000 0.713 171 G HN 1.010 nan 8.290 nan 0.000 0.515 172 K N 0.185 120.518 120.400 -0.112 0.000 2.202 172 K HA 0.565 4.884 4.320 -0.001 0.000 0.264 172 K C 0.191 176.632 176.600 -0.265 0.000 1.010 172 K CA -0.509 55.678 56.287 -0.166 0.000 0.940 172 K CB 1.413 33.805 32.500 -0.180 0.000 0.983 172 K HN 0.361 nan 8.250 nan 0.000 0.475 173 E N 1.328 121.398 120.200 -0.216 0.000 2.349 173 E HA 0.157 4.506 4.350 -0.001 0.000 0.262 173 E C -0.587 175.807 176.600 -0.343 0.000 1.088 173 E CA -0.759 55.498 56.400 -0.238 0.000 0.899 173 E CB 0.760 30.381 29.700 -0.131 0.000 1.044 173 E HN 0.514 nan 8.360 nan 0.000 0.420 174 N N 1.776 120.251 118.700 -0.375 0.000 2.295 174 N HA 0.256 4.996 4.740 -0.001 0.000 0.293 174 N C -0.721 174.703 175.510 -0.144 0.000 1.040 174 N CA -0.577 52.256 53.050 -0.361 0.000 0.840 174 N CB 1.935 39.982 38.487 -0.735 0.000 1.468 174 N HN 0.237 nan 8.380 nan 0.000 0.478 175 R N 0.414 120.868 120.500 -0.077 0.000 2.649 175 R HA 0.379 4.719 4.340 -0.001 0.000 0.270 175 R C 1.433 177.746 176.300 0.021 0.000 1.105 175 R CA -0.281 55.805 56.100 -0.023 0.000 1.193 175 R CB 0.397 30.686 30.300 -0.018 0.000 1.120 175 R HN 0.681 nan 8.270 nan 0.000 0.561 176 A N 1.012 123.848 122.820 0.027 0.000 1.873 176 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 176 A C 2.065 179.683 177.584 0.057 0.000 1.193 176 A CA 2.017 54.081 52.037 0.045 0.000 0.629 176 A CB -0.683 18.337 19.000 0.032 0.000 0.826 176 A HN 0.926 nan 8.150 nan 0.000 0.447 177 E N -0.345 119.881 120.200 0.042 0.000 2.065 177 E HA -0.273 4.077 4.350 -0.001 0.000 0.201 177 E C 1.408 178.048 176.600 0.067 0.000 1.016 177 E CA 1.716 58.142 56.400 0.044 0.000 0.818 177 E CB -0.191 29.527 29.700 0.030 0.000 0.749 177 E HN 0.639 nan 8.360 nan 0.000 0.453 178 D N -0.208 120.241 120.400 0.081 0.000 2.123 178 D HA -0.108 4.532 4.640 -0.001 0.000 0.200 178 D C 1.850 178.294 176.300 0.240 0.000 0.976 178 D CA 1.127 55.208 54.000 0.135 0.000 0.831 178 D CB -0.212 40.654 40.800 0.109 0.000 0.974 178 D HN 0.279 nan 8.370 nan 0.000 0.469 179 A N 1.114 124.088 122.820 0.257 0.000 1.972 179 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 179 A C 2.247 179.928 177.584 0.162 0.000 1.169 179 A CA 0.692 52.941 52.037 0.352 0.000 0.635 179 A CB -0.642 18.540 19.000 0.302 0.000 0.810 179 A HN 0.213 nan 8.150 nan 0.000 0.446 180 L N -1.003 120.284 121.223 0.107 0.000 2.095 180 L HA -0.105 4.234 4.340 -0.001 0.000 0.204 180 L C 2.453 179.347 176.870 0.040 0.000 1.080 180 L CA 1.325 56.201 54.840 0.059 0.000 0.759 180 L CB -0.269 41.820 42.059 0.051 0.000 0.914 180 L HN 0.352 nan 8.230 nan 0.000 0.439 181 K N -0.447 119.985 120.400 0.054 0.000 2.032 181 K HA -0.175 4.144 4.320 -0.001 0.000 0.209 181 K C 1.709 178.313 176.600 0.008 0.000 1.048 181 K CA 1.867 58.175 56.287 0.035 0.000 0.927 181 K CB -0.297 32.233 32.500 0.050 0.000 0.712 181 K HN 0.390 nan 8.250 nan 0.000 0.441 182 V N -1.928 117.990 119.914 0.005 0.000 3.510 182 V HA 0.060 4.180 4.120 -0.001 0.000 0.270 182 V C 0.272 176.285 176.094 -0.135 0.000 1.201 182 V CA 0.418 62.667 62.300 -0.085 0.000 1.166 182 V CB -0.222 31.498 31.823 -0.171 0.000 0.825 182 V HN 0.269 nan 8.190 nan 0.000 0.484 183 S N -0.591 115.060 115.700 -0.081 0.000 3.672 183 S HA -0.211 4.259 4.470 -0.001 0.000 0.319 183 S C 1.219 175.747 174.600 -0.120 0.000 1.151 183 S CA 0.818 58.970 58.200 -0.080 0.000 0.911 183 S CB -1.853 61.299 63.200 -0.081 0.000 0.939 183 S HN 1.470 nan 8.310 nan 0.000 0.524 184 A N -0.533 122.199 122.820 -0.146 0.000 2.021 184 A HA 0.454 4.774 4.320 -0.001 0.000 0.216 184 A C 0.880 178.434 177.584 -0.050 0.000 1.163 184 A CA 1.224 53.155 52.037 -0.177 0.000 0.676 184 A CB 0.317 19.147 19.000 -0.282 0.000 0.818 184 A HN 0.600 nan 8.150 nan 0.000 0.453 185 V N 0.247 120.160 119.914 -0.002 0.000 2.815 185 V HA 0.280 4.399 4.120 -0.001 0.000 0.314 185 V C -0.189 175.923 176.094 0.030 0.000 1.064 185 V CA -0.594 61.722 62.300 0.026 0.000 0.952 185 V CB 1.916 33.769 31.823 0.050 0.000 1.020 185 V HN 0.389 nan 8.190 nan 0.000 0.439 186 D N 1.619 122.053 120.400 0.057 0.000 2.392 186 D HA 0.378 5.018 4.640 -0.001 0.000 0.206 186 D C 0.415 176.765 176.300 0.083 0.000 1.046 186 D CA 0.827 54.875 54.000 0.081 0.000 0.865 186 D CB 1.312 42.206 40.800 0.155 0.000 0.969 186 D HN 0.631 nan 8.370 nan 0.000 0.509 187 A N 0.567 123.430 122.820 0.071 0.000 2.532 187 A HA 0.495 4.815 4.320 -0.001 0.000 0.296 187 A C -1.263 176.348 177.584 0.045 0.000 1.058 187 A CA -0.569 51.502 52.037 0.057 0.000 0.729 187 A CB 1.475 20.511 19.000 0.059 0.000 1.285 187 A HN -0.094 nan 8.150 nan 0.000 0.396 188 V N 2.809 122.745 119.914 0.038 0.000 2.459 188 V HA 0.763 4.883 4.120 -0.001 0.000 0.295 188 V C 0.168 176.278 176.094 0.028 0.000 1.029 188 V CA -0.204 62.115 62.300 0.033 0.000 0.874 188 V CB 1.316 33.159 31.823 0.033 0.000 0.985 188 V HN 1.498 nan 8.190 nan 0.000 0.438 189 V N 1.178 121.108 119.914 0.026 0.000 3.182 189 V HA 0.785 4.905 4.120 -0.001 0.000 0.308 189 V C 0.039 176.146 176.094 0.023 0.000 1.240 189 V CA -0.675 61.639 62.300 0.023 0.000 1.063 189 V CB 1.843 33.679 31.823 0.023 0.000 1.076 189 V HN 0.854 nan 8.190 nan 0.000 0.446 190 T N -0.797 113.769 114.554 0.021 0.000 2.900 190 T HA 0.517 4.867 4.350 -0.001 0.000 0.307 190 T C 1.439 176.154 174.700 0.024 0.000 1.065 190 T CA 0.324 62.437 62.100 0.021 0.000 1.105 190 T CB 1.089 69.968 68.868 0.018 0.000 0.979 190 T HN 1.803 nan 8.240 nan 0.000 0.544 191 A N 2.083 124.918 122.820 0.026 0.000 1.927 191 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 191 A C 2.097 179.700 177.584 0.030 0.000 1.185 191 A CA 1.965 54.021 52.037 0.031 0.000 0.639 191 A CB -0.958 18.060 19.000 0.031 0.000 0.820 191 A HN 0.962 nan 8.150 nan 0.000 0.451 192 D N -0.211 120.204 120.400 0.025 0.000 2.104 192 D HA -0.126 4.514 4.640 -0.001 0.000 0.194 192 D C 1.184 177.497 176.300 0.023 0.000 0.994 192 D CA 1.410 55.423 54.000 0.023 0.000 0.830 192 D CB -0.241 40.570 40.800 0.018 0.000 0.959 192 D HN 0.507 nan 8.370 nan 0.000 0.452 193 K N 0.667 121.080 120.400 0.021 0.000 2.596 193 K HA 0.175 4.495 4.320 -0.001 0.000 0.211 193 K C 1.652 178.266 176.600 0.024 0.000 1.046 193 K CA -0.283 56.016 56.287 0.020 0.000 1.202 193 K CB 0.496 33.006 32.500 0.016 0.000 0.925 193 K HN 0.108 nan 8.250 nan 0.000 0.486 194 L N 0.147 121.388 121.223 0.030 0.000 1.988 194 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 194 L C 2.231 179.123 176.870 0.038 0.000 1.071 194 L CA 1.593 56.455 54.840 0.037 0.000 0.744 194 L CB -0.564 41.523 42.059 0.047 0.000 0.893 194 L HN 0.397 nan 8.230 nan 0.000 0.433 195 G N -0.862 107.961 108.800 0.040 0.000 2.469 195 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.219 195 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.219 195 G C 1.620 176.535 174.900 0.025 0.000 1.150 195 G CA 0.863 45.986 45.100 0.038 0.000 0.763 195 G HN 0.569 nan 8.290 nan 0.000 0.561 196 A N 1.048 123.879 122.820 0.019 0.000 1.933 196 A HA 0.273 4.593 4.320 -0.001 0.000 0.218 196 A C 2.817 180.404 177.584 0.005 0.000 1.175 196 A CA 2.241 54.284 52.037 0.010 0.000 0.628 196 A CB -0.728 18.277 19.000 0.009 0.000 0.814 196 A HN 0.794 nan 8.150 nan 0.000 0.444 197 A N -0.082 122.744 122.820 0.010 0.000 1.877 197 A HA 0.171 4.491 4.320 -0.001 0.000 0.216 197 A C 2.529 180.111 177.584 -0.002 0.000 1.186 197 A CA 2.098 54.138 52.037 0.005 0.000 0.620 197 A CB -1.082 17.927 19.000 0.016 0.000 0.822 197 A HN 1.055 nan 8.150 nan 0.000 0.443 198 A N -0.549 122.278 122.820 0.013 0.000 1.902 198 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 198 A C 2.161 179.739 177.584 -0.010 0.000 1.181 198 A CA 1.649 53.694 52.037 0.015 0.000 0.623 198 A CB -0.541 18.486 19.000 0.046 0.000 0.818 198 A HN 0.468 nan 8.150 nan 0.000 0.443 199 L N 0.183 121.403 121.223 -0.006 0.000 2.027 199 L HA -0.148 4.192 4.340 -0.001 0.000 0.206 199 L C 2.116 178.963 176.870 -0.037 0.000 1.074 199 L CA 2.618 57.448 54.840 -0.017 0.000 0.745 199 L CB -1.140 40.915 42.059 -0.006 0.000 0.898 199 L HN 0.540 nan 8.230 nan 0.000 0.433 200 D N -0.288 120.091 120.400 -0.034 0.000 2.178 200 D HA -0.219 4.421 4.640 -0.001 0.000 0.201 200 D C 2.422 178.676 176.300 -0.077 0.000 0.980 200 D CA 0.906 54.879 54.000 -0.044 0.000 0.842 200 D CB 0.266 41.048 40.800 -0.030 0.000 0.948 200 D HN 0.385 nan 8.370 nan 0.000 0.472 201 L N 0.297 121.461 121.223 -0.099 0.000 2.023 201 L HA -0.153 4.186 4.340 -0.001 0.000 0.205 201 L C 2.551 179.266 176.870 -0.258 0.000 1.073 201 L CA 0.570 55.298 54.840 -0.187 0.000 0.745 201 L CB -0.192 41.756 42.059 -0.185 0.000 0.900 201 L HN -0.002 nan 8.230 nan 0.000 0.435 202 I N 0.514 120.971 120.570 -0.188 0.000 2.118 202 I HA -0.361 3.809 4.170 -0.001 0.000 0.241 202 I C 2.496 178.525 176.117 -0.146 0.000 1.070 202 I CA 1.701 62.895 61.300 -0.176 0.000 1.327 202 I CB -0.964 36.977 38.000 -0.099 0.000 1.034 202 I HN 0.338 nan 8.210 nan 0.000 0.405 203 K N 0.103 120.442 120.400 -0.103 0.000 2.152 203 K HA -0.168 4.152 4.320 -0.001 0.000 0.206 203 K C 2.058 178.613 176.600 -0.074 0.000 1.048 203 K CA 1.148 57.391 56.287 -0.073 0.000 0.933 203 K CB -0.141 32.328 32.500 -0.052 0.000 0.721 203 K HN 0.350 nan 8.250 nan 0.000 0.447 204 R N -0.222 120.216 120.500 -0.104 0.000 2.236 204 R HA 0.034 4.374 4.340 -0.001 0.000 0.208 204 R C 2.045 178.293 176.300 -0.086 0.000 1.036 204 R CA 0.678 56.724 56.100 -0.090 0.000 1.001 204 R CB 0.070 30.306 30.300 -0.106 0.000 0.896 204 R HN 0.139 nan 8.270 nan 0.000 0.464 205 A N 0.861 123.602 122.820 -0.132 0.000 1.943 205 A HA 0.033 4.352 4.320 -0.001 0.000 0.213 205 A C 1.994 179.606 177.584 0.047 0.000 1.181 205 A CA 0.524 52.532 52.037 -0.048 0.000 0.653 205 A CB -0.082 18.825 19.000 -0.154 0.000 0.833 205 A HN 0.095 nan 8.150 nan 0.000 0.451 206 I N 0.874 121.431 120.570 -0.022 0.000 2.202 206 I HA -0.224 3.946 4.170 -0.001 0.000 0.242 206 I C 2.824 178.956 176.117 0.026 0.000 1.091 206 I CA 1.568 62.868 61.300 -0.001 0.000 1.368 206 I CB -0.335 37.643 38.000 -0.036 0.000 1.058 206 I HN 0.472 nan 8.210 nan 0.000 0.410 207 S N 0.624 116.328 115.700 0.007 0.000 2.440 207 S HA -0.087 4.383 4.470 -0.001 0.000 0.238 207 S C 1.805 176.422 174.600 0.028 0.000 1.010 207 S CA 1.059 59.266 58.200 0.011 0.000 0.972 207 S CB -0.308 62.891 63.200 -0.001 0.000 0.774 207 S HN 0.687 nan 8.310 nan 0.000 0.501 208 G N 0.671 109.500 108.800 0.048 0.000 2.179 208 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 208 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 208 G C 0.554 175.483 174.900 0.049 0.000 0.990 208 G CA 0.523 45.659 45.100 0.060 0.000 0.646 208 G HN 0.533 nan 8.290 nan 0.000 0.517 209 E N -0.227 119.993 120.200 0.034 0.000 2.038 209 E HA 0.002 4.352 4.350 -0.001 0.000 0.195 209 E C 0.959 177.589 176.600 0.050 0.000 1.000 209 E CA 0.725 57.142 56.400 0.028 0.000 0.803 209 E CB -0.106 29.599 29.700 0.008 0.000 0.750 209 E HN 0.580 nan 8.360 nan 0.000 0.448 210 L N 1.853 123.115 121.223 0.063 0.000 2.289 210 L HA 0.198 4.538 4.340 -0.001 0.000 0.285 210 L C -0.068 176.928 176.870 0.210 0.000 1.049 210 L CA -0.620 54.303 54.840 0.137 0.000 0.804 210 L CB 1.220 43.331 42.059 0.087 0.000 1.195 210 L HN -0.004 nan 8.230 nan 0.000 0.428 211 D N 2.690 123.204 120.400 0.190 0.000 2.517 211 D HA -0.014 4.625 4.640 -0.001 0.000 0.220 211 D C 0.902 177.296 176.300 0.156 0.000 1.158 211 D CA -0.253 53.813 54.000 0.110 0.000 0.992 211 D CB 0.506 41.320 40.800 0.023 0.000 1.058 211 D HN 0.498 nan 8.370 nan 0.000 0.516 212 Y N 2.589 123.037 120.300 0.247 0.000 2.315 212 Y HA -0.105 4.444 4.550 -0.000 0.000 0.288 212 Y C 1.614 177.558 175.900 0.073 0.000 1.154 212 Y CA 0.924 59.194 58.100 0.282 0.000 1.229 212 Y CB -0.025 38.670 38.460 0.392 0.000 0.980 212 Y HN -0.006 nan 8.280 nan 0.000 0.540 213 K N 1.059 121.037 120.400 -0.702 0.000 2.062 213 K HA 0.039 4.359 4.320 -0.001 0.000 0.205 213 K C 2.427 178.893 176.600 -0.222 0.000 1.051 213 K CA 1.160 57.119 56.287 -0.547 0.000 0.941 213 K CB -0.688 31.468 32.500 -0.575 0.000 0.719 213 K HN 0.500 nan 8.250 nan 0.000 0.440 214 A N 1.448 124.170 122.820 -0.163 0.000 1.969 214 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 214 A C 2.113 179.642 177.584 -0.091 0.000 1.169 214 A CA 1.593 53.572 52.037 -0.098 0.000 0.635 214 A CB -0.235 18.726 19.000 -0.064 0.000 0.810 214 A HN 0.287 nan 8.150 nan 0.000 0.445 215 K N -0.371 119.963 120.400 -0.111 0.000 2.228 215 K HA -0.031 4.289 4.320 -0.001 0.000 0.202 215 K C 2.175 178.687 176.600 -0.147 0.000 1.051 215 K CA 0.972 57.158 56.287 -0.168 0.000 0.960 215 K CB -0.125 32.165 32.500 -0.351 0.000 0.743 215 K HN 0.428 nan 8.250 nan 0.000 0.458 216 R N 0.145 120.586 120.500 -0.098 0.000 2.093 216 R HA -0.099 4.241 4.340 -0.001 0.000 0.224 216 R C 2.038 178.315 176.300 -0.039 0.000 1.101 216 R CA 1.094 57.167 56.100 -0.046 0.000 0.979 216 R CB -0.040 30.269 30.300 0.015 0.000 0.877 216 R HN 0.092 nan 8.270 nan 0.000 0.441 217 Q N 0.671 120.441 119.800 -0.051 0.000 2.082 217 Q HA -0.146 4.193 4.340 -0.001 0.000 0.211 217 Q C -1.025 174.956 176.000 -0.031 0.000 1.002 217 Q CA 2.395 58.175 55.803 -0.039 0.000 0.868 217 Q CB -1.208 27.501 28.738 -0.048 0.000 0.931 217 Q HN 0.322 nan 8.270 nan 0.000 0.414 218 P HA -0.211 nan 4.420 nan 0.000 0.218 218 P C -0.140 177.143 177.300 -0.028 0.000 1.150 218 P CA 2.056 65.132 63.100 -0.040 0.000 0.841 218 P CB -0.168 31.497 31.700 -0.057 0.000 0.784 219 K N -1.125 119.262 120.400 -0.023 0.000 2.570 219 K HA 0.235 4.554 4.320 -0.001 0.000 0.210 219 K C 0.736 177.342 176.600 0.010 0.000 1.048 219 K CA 0.102 56.384 56.287 -0.008 0.000 1.167 219 K CB -0.138 32.357 32.500 -0.009 0.000 0.892 219 K HN 0.194 nan 8.250 nan 0.000 0.480 220 L N 0.452 121.681 121.223 0.009 0.000 2.840 220 L HA 0.166 4.505 4.340 -0.001 0.000 0.249 220 L C 0.615 177.498 176.870 0.022 0.000 1.119 220 L CA -0.219 54.632 54.840 0.019 0.000 0.930 220 L CB 0.328 42.395 42.059 0.013 0.000 1.295 220 L HN 0.314 nan 8.230 nan 0.000 0.534 221 E N 1.207 121.417 120.200 0.017 0.000 2.396 221 E HA 0.341 4.691 4.350 -0.001 0.000 0.251 221 E C -0.756 175.864 176.600 0.034 0.000 0.949 221 E CA -0.983 55.432 56.400 0.025 0.000 0.834 221 E CB 1.035 30.742 29.700 0.011 0.000 1.309 221 E HN 0.004 nan 8.360 nan 0.000 0.405 222 K N 0.533 120.958 120.400 0.042 0.000 2.234 222 K HA 0.119 4.439 4.320 -0.001 0.000 0.251 222 K C 0.017 176.627 176.600 0.016 0.000 1.011 222 K CA -0.383 55.929 56.287 0.042 0.000 0.889 222 K CB 0.251 32.778 32.500 0.045 0.000 1.011 222 K HN 0.383 nan 8.250 nan 0.000 0.505 223 L N 1.143 122.372 121.223 0.010 0.000 2.453 223 L HA 0.065 4.404 4.340 -0.001 0.000 0.261 223 L C 1.340 178.202 176.870 -0.014 0.000 1.179 223 L CA -0.479 54.359 54.840 -0.004 0.000 0.813 223 L CB 0.479 42.543 42.059 0.008 0.000 1.110 223 L HN 0.651 nan 8.230 nan 0.000 0.466 224 K N 1.340 121.722 120.400 -0.030 0.000 2.444 224 K HA 0.192 4.512 4.320 -0.001 0.000 0.193 224 K C -0.176 176.399 176.600 -0.040 0.000 1.024 224 K CA 0.087 56.353 56.287 -0.033 0.000 1.077 224 K CB -0.265 32.210 32.500 -0.041 0.000 0.833 224 K HN 0.273 nan 8.250 nan 0.000 0.517 225 L N 1.852 123.047 121.223 -0.047 0.000 2.397 225 L HA 0.085 4.425 4.340 -0.001 0.000 0.271 225 L C 0.953 177.799 176.870 -0.039 0.000 1.148 225 L CA 0.032 54.835 54.840 -0.061 0.000 0.825 225 L CB 0.180 42.177 42.059 -0.103 0.000 1.117 225 L HN 0.081 nan 8.230 nan 0.000 0.456 226 N N 1.249 119.923 118.700 -0.043 0.000 2.371 226 N HA 0.043 4.782 4.740 -0.001 0.000 0.243 226 N C 0.800 176.299 175.510 -0.018 0.000 1.287 226 N CA 0.603 53.635 53.050 -0.029 0.000 0.911 226 N CB 1.317 39.784 38.487 -0.032 0.000 1.142 226 N HN 0.718 nan 8.380 nan 0.000 0.451 227 A N 3.267 126.082 122.820 -0.009 0.000 1.933 227 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 227 A C 2.248 179.833 177.584 0.003 0.000 1.175 227 A CA 1.084 53.123 52.037 0.003 0.000 0.628 227 A CB -0.533 18.466 19.000 -0.001 0.000 0.814 227 A HN 0.807 nan 8.150 nan 0.000 0.444 228 I N -1.047 119.517 120.570 -0.010 0.000 2.286 228 I HA -0.142 4.028 4.170 -0.001 0.000 0.245 228 I C 2.089 178.187 176.117 -0.031 0.000 1.104 228 I CA 1.322 62.613 61.300 -0.015 0.000 1.397 228 I CB -0.142 37.847 38.000 -0.018 0.000 1.072 228 I HN 0.225 nan 8.210 nan 0.000 0.417 229 E N 0.638 120.809 120.200 -0.048 0.000 2.204 229 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 229 E C 2.071 178.591 176.600 -0.133 0.000 0.990 229 E CA 1.143 57.492 56.400 -0.085 0.000 0.821 229 E CB -0.133 29.514 29.700 -0.088 0.000 0.750 229 E HN 0.670 nan 8.360 nan 0.000 0.477 230 Q N -0.168 119.579 119.800 -0.088 0.000 2.049 230 Q HA -0.026 4.314 4.340 -0.001 0.000 0.198 230 Q C 2.250 178.261 176.000 0.019 0.000 0.971 230 Q CA 1.066 56.812 55.803 -0.096 0.000 0.833 230 Q CB -0.132 28.705 28.738 0.165 0.000 0.896 230 Q HN 0.226 nan 8.270 nan 0.000 0.434 231 M N 0.165 119.806 119.600 0.068 0.000 2.082 231 M HA -0.270 4.210 4.480 -0.001 0.000 0.258 231 M C 2.193 178.508 176.300 0.025 0.000 1.069 231 M CA 1.577 56.923 55.300 0.076 0.000 1.102 231 M CB -0.034 32.585 32.600 0.033 0.000 1.336 231 M HN 0.292 nan 8.290 nan 0.000 0.404 232 M N 0.586 120.165 119.600 -0.035 0.000 2.077 232 M HA -0.044 4.436 4.480 -0.001 0.000 0.261 232 M C 2.150 178.389 176.300 -0.101 0.000 1.070 232 M CA 2.366 57.631 55.300 -0.058 0.000 1.125 232 M CB -0.995 31.564 32.600 -0.069 0.000 1.339 232 M HN 0.318 nan 8.290 nan 0.000 0.409 233 A N -0.375 122.320 122.820 -0.208 0.000 1.873 233 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 233 A C 2.128 179.533 177.584 -0.298 0.000 1.193 233 A CA 2.214 54.052 52.037 -0.332 0.000 0.629 233 A CB -1.464 17.198 19.000 -0.564 0.000 0.826 233 A HN 0.624 nan 8.150 nan 0.000 0.447 234 F N -0.209 119.701 119.950 -0.067 0.000 2.128 234 F HA -0.110 4.416 4.527 -0.001 0.000 0.295 234 F C 2.661 178.422 175.800 -0.065 0.000 1.100 234 F CA 1.085 59.040 58.000 -0.074 0.000 1.260 234 F CB -0.197 38.753 39.000 -0.084 0.000 1.009 234 F HN 0.133 nan 8.300 nan 0.000 0.476 235 E N 0.319 120.597 120.200 0.130 0.000 2.085 235 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 235 E C 2.287 178.907 176.600 0.033 0.000 0.994 235 E CA 2.073 58.509 56.400 0.059 0.000 0.801 235 E CB -1.056 28.667 29.700 0.039 0.000 0.743 235 E HN 0.483 nan 8.360 nan 0.000 0.453 236 T N -0.542 114.020 114.554 0.013 0.000 2.737 236 T HA -0.002 4.348 4.350 -0.001 0.000 0.265 236 T C 2.140 176.857 174.700 0.028 0.000 1.038 236 T CA 1.480 63.585 62.100 0.010 0.000 1.144 236 T CB -0.338 68.512 68.868 -0.029 0.000 0.866 236 T HN 0.152 nan 8.240 nan 0.000 0.434 237 A N 2.186 125.010 122.820 0.008 0.000 1.865 237 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 237 A C 2.455 180.045 177.584 0.011 0.000 1.191 237 A CA 1.946 53.990 52.037 0.012 0.000 0.623 237 A CB -0.798 18.208 19.000 0.010 0.000 0.826 237 A HN 0.540 nan 8.150 nan 0.000 0.444 238 K N -0.918 119.487 120.400 0.008 0.000 2.032 238 K HA -0.130 4.189 4.320 -0.001 0.000 0.209 238 K C 2.121 178.696 176.600 -0.043 0.000 1.048 238 K CA 1.309 57.573 56.287 -0.039 0.000 0.927 238 K CB -0.533 31.947 32.500 -0.032 0.000 0.712 238 K HN 0.485 nan 8.250 nan 0.000 0.441 239 G N 0.582 109.382 108.800 0.000 0.000 2.459 239 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.217 239 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.217 239 G C 1.351 176.249 174.900 -0.003 0.000 1.183 239 G CA 0.729 45.832 45.100 0.005 0.000 0.776 239 G HN 0.278 nan 8.290 nan 0.000 0.552 240 F N 1.170 121.062 119.950 -0.097 0.000 2.126 240 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 240 F C 2.714 178.388 175.800 -0.210 0.000 1.096 240 F CA 1.500 59.432 58.000 -0.113 0.000 1.255 240 F CB -0.145 38.798 39.000 -0.095 0.000 0.997 240 F HN 0.012 nan 8.300 nan 0.000 0.479 241 V N -0.038 119.725 119.914 -0.252 0.000 2.453 241 V HA -0.193 3.926 4.120 -0.001 0.000 0.247 241 V C 2.669 178.525 176.094 -0.396 0.000 1.048 241 V CA 1.377 63.328 62.300 -0.582 0.000 1.049 241 V CB -1.412 30.086 31.823 -0.542 0.000 0.672 241 V HN 0.435 nan 8.190 nan 0.000 0.457 242 A N 0.852 123.540 122.820 -0.221 0.000 1.940 242 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 242 A C 2.375 179.878 177.584 -0.136 0.000 1.176 242 A CA 2.073 54.040 52.037 -0.117 0.000 0.631 242 A CB -1.092 17.873 19.000 -0.058 0.000 0.814 242 A HN 0.532 nan 8.150 nan 0.000 0.446 243 G N -1.611 107.068 108.800 -0.201 0.000 2.421 243 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.217 243 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.217 243 G C 1.466 176.211 174.900 -0.257 0.000 1.143 243 G CA 0.759 45.738 45.100 -0.202 0.000 0.784 243 G HN 0.607 nan 8.290 nan 0.000 0.541 244 Q N -0.505 119.110 119.800 -0.308 0.000 2.282 244 Q HA 0.407 4.746 4.340 -0.001 0.000 0.206 244 Q C 2.169 178.132 176.000 -0.061 0.000 0.878 244 Q CA 0.283 55.966 55.803 -0.199 0.000 0.944 244 Q CB 0.783 29.475 28.738 -0.078 0.000 1.100 244 Q HN 0.463 nan 8.270 nan 0.000 0.509 245 A N 0.251 123.008 122.820 -0.104 0.000 2.013 245 A HA 0.480 4.800 4.320 -0.001 0.000 0.204 245 A C 1.038 178.564 177.584 -0.097 0.000 1.262 245 A CA 0.735 52.767 52.037 -0.009 0.000 0.800 245 A CB 0.062 19.073 19.000 0.018 0.000 0.909 245 A HN 0.336 nan 8.150 nan 0.000 0.472 246 G N -0.666 108.056 108.800 -0.130 0.000 2.860 246 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.553 246 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.553 246 G C -1.133 173.743 174.900 -0.041 0.000 1.439 246 G CA -0.279 44.747 45.100 -0.124 0.000 0.879 246 G HN 0.124 nan 8.290 nan 0.000 0.545 247 P HA -0.172 nan 4.420 nan 0.000 0.222 247 P C 0.883 178.017 177.300 -0.277 0.000 1.155 247 P CA 1.886 64.920 63.100 -0.110 0.000 0.890 247 P CB -0.049 31.645 31.700 -0.010 0.000 0.790 248 N N -0.769 117.841 118.700 -0.151 0.000 2.801 248 N HA 0.100 4.840 4.740 -0.001 0.000 0.235 248 N C -0.834 174.624 175.510 -0.086 0.000 1.069 248 N CA -0.618 52.319 53.050 -0.188 0.000 0.946 248 N CB 0.134 38.573 38.487 -0.080 0.000 1.212 248 N HN 0.067 nan 8.380 nan 0.000 0.509 249 Y N 1.917 122.209 120.300 -0.013 0.000 2.504 249 Y HA 0.461 5.011 4.550 -0.000 0.000 0.351 249 Y C -2.394 173.496 175.900 -0.017 0.000 0.988 249 Y CA -3.218 54.872 58.100 -0.017 0.000 1.239 249 Y CB -0.227 38.218 38.460 -0.026 0.000 1.128 249 Y HN 0.352 nan 8.280 nan 0.000 0.525 250 P HA 0.048 nan 4.420 nan 0.000 0.231 250 P C 1.034 178.398 177.300 0.107 0.000 1.257 250 P CA 1.511 64.659 63.100 0.079 0.000 0.656 250 P CB 0.295 32.008 31.700 0.021 0.000 0.993 251 A N -0.972 121.907 122.820 0.100 0.000 1.975 251 A HA 0.084 4.404 4.320 -0.001 0.000 0.215 251 A C -0.502 177.165 177.584 0.138 0.000 1.170 251 A CA 1.170 53.314 52.037 0.178 0.000 0.656 251 A CB -2.267 16.842 19.000 0.182 0.000 0.821 251 A HN 0.250 nan 8.150 nan 0.000 0.449 252 P HA -0.172 nan 4.420 nan 0.000 0.208 252 P C 1.578 178.838 177.300 -0.067 0.000 1.180 252 P CA 1.886 65.010 63.100 0.040 0.000 0.935 252 P CB -0.183 31.562 31.700 0.076 0.000 0.785 253 V N -0.200 119.646 119.914 -0.113 0.000 2.720 253 V HA -0.182 3.938 4.120 -0.001 0.000 0.256 253 V C 2.297 178.208 176.094 -0.305 0.000 1.082 253 V CA 1.698 63.849 62.300 -0.248 0.000 1.101 253 V CB -1.118 30.481 31.823 -0.372 0.000 0.693 253 V HN 0.135 nan 8.190 nan 0.000 0.479 254 E N 0.437 120.515 120.200 -0.204 0.000 2.060 254 E HA -0.003 4.346 4.350 -0.001 0.000 0.189 254 E C 2.461 178.979 176.600 -0.136 0.000 0.974 254 E CA 1.253 57.576 56.400 -0.128 0.000 0.808 254 E CB -0.487 29.259 29.700 0.076 0.000 0.768 254 E HN 0.507 nan 8.360 nan 0.000 0.453 255 A N 1.635 124.367 122.820 -0.146 0.000 1.927 255 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 255 A C 2.297 179.703 177.584 -0.296 0.000 1.185 255 A CA 1.598 53.394 52.037 -0.401 0.000 0.639 255 A CB -0.840 18.031 19.000 -0.214 0.000 0.820 255 A HN 0.223 nan 8.150 nan 0.000 0.451 256 I N -1.020 119.444 120.570 -0.176 0.000 2.315 256 I HA -0.225 3.944 4.170 -0.001 0.000 0.248 256 I C 2.328 178.312 176.117 -0.222 0.000 1.117 256 I CA 1.458 62.690 61.300 -0.114 0.000 1.404 256 I CB -0.316 37.658 38.000 -0.043 0.000 1.071 256 I HN 0.275 nan 8.210 nan 0.000 0.419 257 K N 0.305 120.561 120.400 -0.239 0.000 2.211 257 K HA -0.069 4.251 4.320 -0.001 0.000 0.203 257 K C 2.023 178.457 176.600 -0.277 0.000 1.050 257 K CA 1.409 57.536 56.287 -0.266 0.000 0.945 257 K CB -0.150 32.221 32.500 -0.214 0.000 0.732 257 K HN 0.295 nan 8.250 nan 0.000 0.451 258 T N 1.409 115.806 114.554 -0.261 0.000 2.857 258 T HA 0.016 4.366 4.350 -0.001 0.000 0.266 258 T C 1.842 176.387 174.700 -0.258 0.000 1.048 258 T CA 0.812 62.771 62.100 -0.235 0.000 1.139 258 T CB -0.013 68.654 68.868 -0.335 0.000 0.874 258 T HN 0.130 nan 8.240 nan 0.000 0.455 259 I N 0.927 121.325 120.570 -0.287 0.000 2.500 259 I HA -0.079 4.090 4.170 -0.001 0.000 0.252 259 I C 2.766 178.597 176.117 -0.477 0.000 1.142 259 I CA 0.917 62.084 61.300 -0.222 0.000 1.451 259 I CB -0.392 37.596 38.000 -0.020 0.000 1.093 259 I HN 0.240 nan 8.210 nan 0.000 0.430 260 Q N 1.751 120.966 119.800 -0.974 0.000 2.124 260 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 260 Q C 2.019 177.554 176.000 -0.775 0.000 0.977 260 Q CA 1.542 56.347 55.803 -1.663 0.000 0.850 260 Q CB 0.190 28.053 28.738 -1.459 0.000 0.901 260 Q HN 0.468 nan 8.270 nan 0.000 0.429 261 K N -0.334 119.758 120.400 -0.514 0.000 2.044 261 K HA 0.045 4.365 4.320 -0.001 0.000 0.204 261 K C 1.700 177.988 176.600 -0.520 0.000 1.049 261 K CA 0.910 56.957 56.287 -0.401 0.000 0.945 261 K CB 0.052 32.410 32.500 -0.237 0.000 0.724 261 K HN 0.110 nan 8.250 nan 0.000 0.440 262 A N 1.169 123.775 122.820 -0.358 0.000 2.276 262 A HA 0.224 4.544 4.320 -0.001 0.000 0.212 262 A C 1.920 179.340 177.584 -0.272 0.000 1.230 262 A CA 0.726 52.601 52.037 -0.271 0.000 0.844 262 A CB -0.536 18.458 19.000 -0.010 0.000 0.860 262 A HN 0.290 nan 8.150 nan 0.000 0.486 263 A N 1.234 123.859 122.820 -0.326 0.000 1.851 263 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 263 A C 1.671 179.177 177.584 -0.129 0.000 1.195 263 A CA 1.584 53.537 52.037 -0.140 0.000 0.622 263 A CB -0.471 18.499 19.000 -0.050 0.000 0.831 263 A HN 0.543 nan 8.150 nan 0.000 0.444 264 N N -0.724 117.818 118.700 -0.263 0.000 2.434 264 N HA 0.172 4.912 4.740 -0.001 0.000 0.196 264 N C -0.440 175.147 175.510 0.128 0.000 1.183 264 N CA 0.224 53.214 53.050 -0.101 0.000 0.849 264 N CB -0.067 38.358 38.487 -0.104 0.000 0.992 264 N HN 0.548 nan 8.380 nan 0.000 0.460 265 F N -0.328 119.617 119.950 -0.008 0.000 2.450 265 F HA 0.499 5.025 4.527 -0.001 0.000 0.328 265 F C 1.529 177.326 175.800 -0.006 0.000 1.068 265 F CA -1.371 56.624 58.000 -0.009 0.000 1.007 265 F CB 1.141 40.133 39.000 -0.013 0.000 1.251 265 F HN -0.151 nan 8.300 nan 0.000 0.492 266 G N 0.299 109.217 108.800 0.196 0.000 2.532 266 G HA2 0.209 4.168 3.960 -0.001 0.000 0.291 266 G HA3 0.209 4.168 3.960 -0.001 0.000 0.291 266 G C 0.638 175.589 174.900 0.085 0.000 1.349 266 G CA -0.535 44.624 45.100 0.097 0.000 1.038 266 G HN 0.663 nan 8.290 nan 0.000 0.518 267 R N -0.419 120.114 120.500 0.054 0.000 2.113 267 R HA -0.140 4.199 4.340 -0.001 0.000 0.231 267 R C 1.907 178.235 176.300 0.047 0.000 1.129 267 R CA 2.352 58.482 56.100 0.050 0.000 0.915 267 R CB -0.919 29.407 30.300 0.045 0.000 0.837 267 R HN 0.622 nan 8.270 nan 0.000 0.430 268 D N 0.382 120.800 120.400 0.030 0.000 2.154 268 D HA -0.229 4.410 4.640 -0.001 0.000 0.190 268 D C 1.908 178.208 176.300 -0.000 0.000 1.003 268 D CA 1.621 55.631 54.000 0.015 0.000 0.849 268 D CB -0.180 40.619 40.800 -0.002 0.000 0.942 268 D HN 0.324 nan 8.370 nan 0.000 0.446 269 K N 0.260 120.640 120.400 -0.033 0.000 2.155 269 K HA 0.001 4.320 4.320 -0.001 0.000 0.203 269 K C 2.022 178.664 176.600 0.071 0.000 1.052 269 K CA 0.823 57.051 56.287 -0.098 0.000 0.948 269 K CB 0.075 32.344 32.500 -0.385 0.000 0.728 269 K HN 0.022 nan 8.250 nan 0.000 0.448 270 A N 0.843 123.745 122.820 0.137 0.000 1.968 270 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 270 A C 1.946 179.585 177.584 0.092 0.000 1.169 270 A CA 0.918 53.050 52.037 0.157 0.000 0.638 270 A CB -0.421 18.648 19.000 0.114 0.000 0.812 270 A HN 0.220 nan 8.150 nan 0.000 0.446 271 L N -0.777 120.486 121.223 0.066 0.000 2.046 271 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 271 L C 2.526 179.433 176.870 0.062 0.000 1.077 271 L CA 1.674 56.546 54.840 0.053 0.000 0.747 271 L CB -0.601 41.488 42.059 0.049 0.000 0.896 271 L HN 0.438 nan 8.230 nan 0.000 0.432 272 E N -0.353 119.883 120.200 0.060 0.000 2.110 272 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 272 E C 2.241 178.894 176.600 0.088 0.000 0.988 272 E CA 1.333 57.769 56.400 0.061 0.000 0.804 272 E CB -0.025 29.695 29.700 0.032 0.000 0.745 272 E HN 0.258 nan 8.360 nan 0.000 0.458 273 V N 1.166 121.145 119.914 0.108 0.000 2.261 273 V HA -0.279 3.840 4.120 -0.001 0.000 0.246 273 V C 2.368 178.539 176.094 0.128 0.000 1.047 273 V CA 2.124 64.492 62.300 0.114 0.000 1.015 273 V CB -0.555 31.334 31.823 0.111 0.000 0.642 273 V HN 0.308 nan 8.190 nan 0.000 0.446 274 E N 0.420 120.693 120.200 0.121 0.000 2.070 274 E HA -0.283 4.067 4.350 -0.001 0.000 0.197 274 E C 2.218 178.976 176.600 0.263 0.000 1.004 274 E CA 1.688 58.211 56.400 0.204 0.000 0.805 274 E CB -0.256 29.512 29.700 0.113 0.000 0.744 274 E HN 0.550 nan 8.360 nan 0.000 0.451 275 A N 1.250 124.158 122.820 0.147 0.000 1.877 275 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 275 A C 2.444 180.138 177.584 0.183 0.000 1.186 275 A CA 2.054 54.175 52.037 0.140 0.000 0.620 275 A CB -0.964 18.091 19.000 0.092 0.000 0.822 275 A HN 0.446 nan 8.150 nan 0.000 0.443 276 A N -0.493 122.415 122.820 0.146 0.000 1.865 276 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 276 A C 2.461 180.123 177.584 0.129 0.000 1.191 276 A CA 2.186 54.295 52.037 0.120 0.000 0.623 276 A CB -1.528 17.529 19.000 0.096 0.000 0.826 276 A HN 0.837 nan 8.150 nan 0.000 0.444 277 G N -1.936 106.977 108.800 0.188 0.000 2.432 277 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.219 277 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.219 277 G C 1.411 176.366 174.900 0.092 0.000 1.135 277 G CA 1.049 46.275 45.100 0.210 0.000 0.767 277 G HN 0.453 nan 8.290 nan 0.000 0.550 278 F N 2.350 122.218 119.950 -0.137 0.000 2.171 278 F HA 0.101 4.627 4.527 -0.001 0.000 0.300 278 F C 2.712 178.378 175.800 -0.224 0.000 1.090 278 F CA 1.025 58.770 58.000 -0.425 0.000 1.293 278 F CB -0.178 38.619 39.000 -0.339 0.000 1.013 278 F HN 0.215 nan 8.300 nan 0.000 0.486 279 A N -0.107 122.694 122.820 -0.032 0.000 1.930 279 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 279 A C 2.198 179.702 177.584 -0.132 0.000 1.175 279 A CA 1.763 53.764 52.037 -0.060 0.000 0.627 279 A CB -0.743 18.291 19.000 0.057 0.000 0.815 279 A HN 0.408 nan 8.150 nan 0.000 0.443 280 K N -0.080 120.267 120.400 -0.090 0.000 2.057 280 K HA -0.045 4.275 4.320 -0.001 0.000 0.207 280 K C 1.772 178.293 176.600 -0.132 0.000 1.049 280 K CA 1.451 57.696 56.287 -0.070 0.000 0.931 280 K CB -0.373 32.123 32.500 -0.007 0.000 0.714 280 K HN 0.457 nan 8.250 nan 0.000 0.440 281 L N -0.021 121.066 121.223 -0.226 0.000 2.056 281 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 281 L C 2.547 179.198 176.870 -0.364 0.000 1.078 281 L CA 1.139 55.815 54.840 -0.272 0.000 0.749 281 L CB -0.562 41.280 42.059 -0.361 0.000 0.901 281 L HN 0.313 nan 8.230 nan 0.000 0.433 282 A N 0.015 122.515 122.820 -0.533 0.000 1.969 282 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 282 A C 2.123 179.516 177.584 -0.319 0.000 1.169 282 A CA 1.331 53.023 52.037 -0.575 0.000 0.635 282 A CB -0.182 18.305 19.000 -0.856 0.000 0.810 282 A HN 0.339 nan 8.150 nan 0.000 0.445 283 K N -1.155 119.120 120.400 -0.209 0.000 2.374 283 K HA 0.144 4.464 4.320 -0.001 0.000 0.196 283 K C 0.591 177.138 176.600 -0.088 0.000 1.023 283 K CA 0.820 57.039 56.287 -0.112 0.000 1.103 283 K CB 0.452 32.916 32.500 -0.061 0.000 0.848 283 K HN 0.448 nan 8.250 nan 0.000 0.528 284 T N -0.835 113.656 114.554 -0.105 0.000 3.364 284 T HA -0.059 4.291 4.350 -0.001 0.000 0.179 284 T C 1.640 176.289 174.700 -0.085 0.000 0.939 284 T CA 0.127 62.182 62.100 -0.074 0.000 1.094 284 T CB -0.396 68.442 68.868 -0.049 0.000 1.532 284 T HN 0.025 nan 8.240 nan 0.000 0.346 285 S N 1.603 117.251 115.700 -0.087 0.000 2.359 285 S HA -0.094 4.375 4.470 -0.001 0.000 0.223 285 S C 2.005 176.538 174.600 -0.113 0.000 1.039 285 S CA 1.758 59.906 58.200 -0.088 0.000 1.042 285 S CB -0.675 62.489 63.200 -0.060 0.000 0.915 285 S HN 0.534 nan 8.310 nan 0.000 0.439 286 A N -0.089 122.633 122.820 -0.163 0.000 2.251 286 A HA 0.331 4.651 4.320 -0.001 0.000 0.209 286 A C 2.051 179.536 177.584 -0.164 0.000 1.187 286 A CA 1.037 52.962 52.037 -0.187 0.000 0.823 286 A CB -0.720 18.115 19.000 -0.275 0.000 0.846 286 A HN 0.542 nan 8.150 nan 0.000 0.486 287 S N 0.602 116.220 115.700 -0.136 0.000 2.419 287 S HA -0.162 4.308 4.470 -0.001 0.000 0.235 287 S C 1.176 175.742 174.600 -0.057 0.000 1.019 287 S CA 1.166 59.307 58.200 -0.099 0.000 0.982 287 S CB -0.472 62.684 63.200 -0.073 0.000 0.789 287 S HN 0.616 nan 8.310 nan 0.000 0.490 288 N N 1.583 120.254 118.700 -0.047 0.000 3.243 288 N HA 0.161 4.900 4.740 -0.001 0.000 0.310 288 N C -0.631 174.887 175.510 0.012 0.000 1.313 288 N CA 0.500 53.544 53.050 -0.009 0.000 1.204 288 N CB -1.309 37.177 38.487 -0.001 0.000 1.483 288 N HN 0.518 nan 8.380 nan 0.000 0.553 289 C N -1.027 118.274 119.300 0.002 0.000 1.217 289 C HA -0.165 4.295 4.460 -0.001 0.000 0.190 289 C C 1.253 176.238 174.990 -0.008 0.000 0.580 289 C CA -0.857 58.178 59.018 0.028 0.000 3.041 289 C CB -1.824 25.979 27.740 0.106 0.000 2.244 289 C HN 0.623 nan 8.230 nan 0.000 0.545 290 L N 2.656 123.857 121.223 -0.038 0.000 2.575 290 L HA 0.248 4.588 4.340 -0.001 0.000 0.228 290 L C 2.352 179.256 176.870 0.056 0.000 1.075 290 L CA 0.389 55.185 54.840 -0.074 0.000 0.867 290 L CB -0.138 41.802 42.059 -0.198 0.000 1.097 290 L HN 0.871 nan 8.230 nan 0.000 0.485 291 I N 0.400 121.031 120.570 0.102 0.000 2.163 291 I HA -0.208 3.961 4.170 -0.001 0.000 0.243 291 I C 2.552 178.805 176.117 0.228 0.000 1.085 291 I CA 1.581 63.001 61.300 0.200 0.000 1.347 291 I CB -1.006 37.087 38.000 0.155 0.000 1.044 291 I HN 0.355 nan 8.210 nan 0.000 0.408 292 G N 1.351 110.279 108.800 0.214 0.000 2.459 292 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.217 292 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.217 292 G C 1.716 176.831 174.900 0.358 0.000 1.183 292 G CA 0.640 45.915 45.100 0.291 0.000 0.776 292 G HN 0.266 nan 8.290 nan 0.000 0.552 293 L N -0.631 120.753 121.223 0.267 0.000 2.079 293 L HA -0.057 4.283 4.340 -0.001 0.000 0.210 293 L C 2.567 179.524 176.870 0.144 0.000 1.081 293 L CA 1.339 56.228 54.840 0.081 0.000 0.752 293 L CB -0.443 41.490 42.059 -0.211 0.000 0.896 293 L HN 0.332 nan 8.230 nan 0.000 0.433 294 F N 0.505 120.467 119.950 0.021 0.000 2.060 294 F HA -0.207 4.320 4.527 -0.001 0.000 0.295 294 F C 2.279 178.104 175.800 0.042 0.000 1.120 294 F CA 1.421 59.434 58.000 0.022 0.000 1.205 294 F CB -0.032 38.983 39.000 0.025 0.000 0.986 294 F HN -0.161 nan 8.300 nan 0.000 0.470 295 L N 0.410 121.483 121.223 -0.250 0.000 2.131 295 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 295 L C 2.074 178.829 176.870 -0.192 0.000 1.092 295 L CA 1.694 56.325 54.840 -0.347 0.000 0.759 295 L CB -0.964 41.028 42.059 -0.111 0.000 0.903 295 L HN 0.337 nan 8.230 nan 0.000 0.435 296 N N -0.380 118.291 118.700 -0.050 0.000 2.188 296 N HA -0.223 4.517 4.740 -0.001 0.000 0.184 296 N C 1.610 177.093 175.510 -0.045 0.000 1.018 296 N CA 0.937 53.985 53.050 -0.003 0.000 0.858 296 N CB 0.152 38.717 38.487 0.129 0.000 0.989 296 N HN 0.206 nan 8.380 nan 0.000 0.426 297 D N 0.218 120.581 120.400 -0.061 0.000 2.149 297 D HA -0.107 4.532 4.640 -0.001 0.000 0.201 297 D C 1.889 178.117 176.300 -0.121 0.000 0.972 297 D CA 0.880 54.843 54.000 -0.061 0.000 0.835 297 D CB 0.023 40.817 40.800 -0.010 0.000 0.966 297 D HN 0.195 nan 8.370 nan 0.000 0.476 298 Q N 0.453 120.108 119.800 -0.242 0.000 2.061 298 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 298 Q C 2.124 178.026 176.000 -0.163 0.000 0.984 298 Q CA 1.179 56.826 55.803 -0.260 0.000 0.846 298 Q CB -0.240 28.235 28.738 -0.438 0.000 0.902 298 Q HN 0.562 nan 8.270 nan 0.000 0.421 299 E N 0.258 120.370 120.200 -0.148 0.000 2.118 299 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 299 E C 2.200 178.729 176.600 -0.119 0.000 0.992 299 E CA 0.741 57.072 56.400 -0.116 0.000 0.804 299 E CB -0.079 29.566 29.700 -0.092 0.000 0.741 299 E HN 0.299 nan 8.360 nan 0.000 0.458 300 L N 0.661 121.821 121.223 -0.105 0.000 2.044 300 L HA -0.152 4.188 4.340 -0.001 0.000 0.205 300 L C 2.304 179.107 176.870 -0.111 0.000 1.075 300 L CA 1.160 55.939 54.840 -0.103 0.000 0.747 300 L CB -0.319 41.702 42.059 -0.063 0.000 0.903 300 L HN 0.001 nan 8.230 nan 0.000 0.435 301 K N 0.559 120.908 120.400 -0.087 0.000 2.209 301 K HA -0.175 4.144 4.320 -0.001 0.000 0.204 301 K C 2.427 178.975 176.600 -0.086 0.000 1.048 301 K CA 1.638 57.883 56.287 -0.069 0.000 0.940 301 K CB -0.202 32.272 32.500 -0.044 0.000 0.729 301 K HN 0.309 nan 8.250 nan 0.000 0.451 302 K N 1.454 121.789 120.400 -0.108 0.000 2.166 302 K HA -0.018 4.301 4.320 -0.001 0.000 0.201 302 K C 1.887 178.379 176.600 -0.179 0.000 1.052 302 K CA 1.167 57.386 56.287 -0.112 0.000 0.969 302 K CB -0.170 32.270 32.500 -0.098 0.000 0.761 302 K HN -0.063 nan 8.250 nan 0.000 0.459 303 K N 0.663 120.912 120.400 -0.251 0.000 2.026 303 K HA 0.103 4.423 4.320 -0.001 0.000 0.208 303 K C 2.256 178.460 176.600 -0.661 0.000 1.048 303 K CA 1.538 57.534 56.287 -0.485 0.000 0.929 303 K CB -0.555 31.674 32.500 -0.452 0.000 0.713 303 K HN 0.318 nan 8.250 nan 0.000 0.439 304 A N 0.270 122.874 122.820 -0.361 0.000 2.125 304 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 304 A C 1.999 179.530 177.584 -0.088 0.000 1.156 304 A CA 1.692 53.621 52.037 -0.179 0.000 0.671 304 A CB -0.374 18.584 19.000 -0.068 0.000 0.794 304 A HN 0.344 nan 8.150 nan 0.000 0.459 305 K N -0.704 119.629 120.400 -0.113 0.000 2.166 305 K HA 0.070 4.389 4.320 -0.001 0.000 0.201 305 K C 1.697 178.281 176.600 -0.028 0.000 1.052 305 K CA 0.892 57.151 56.287 -0.047 0.000 0.969 305 K CB -0.008 32.465 32.500 -0.045 0.000 0.761 305 K HN 0.194 nan 8.250 nan 0.000 0.459 306 V N 0.952 120.816 119.914 -0.083 0.000 2.295 306 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 306 V C 1.955 178.118 176.094 0.115 0.000 1.049 306 V CA 1.659 63.948 62.300 -0.017 0.000 1.024 306 V CB -0.621 31.162 31.823 -0.066 0.000 0.648 306 V HN 0.362 nan 8.190 nan 0.000 0.447 307 Y N -0.263 120.035 120.300 -0.003 0.000 2.145 307 Y HA -0.271 4.278 4.550 -0.001 0.000 0.286 307 Y C 2.842 178.743 175.900 0.002 0.000 1.145 307 Y CA 1.061 59.160 58.100 -0.002 0.000 1.148 307 Y CB -0.316 38.141 38.460 -0.005 0.000 0.981 307 Y HN 0.286 nan 8.280 nan 0.000 0.507 308 D N 0.936 121.439 120.400 0.173 0.000 2.133 308 D HA -0.200 4.440 4.640 -0.001 0.000 0.192 308 D C 0.749 177.092 176.300 0.070 0.000 1.001 308 D CA 1.571 55.629 54.000 0.097 0.000 0.844 308 D CB -0.070 40.764 40.800 0.057 0.000 0.944 308 D HN 0.323 nan 8.370 nan 0.000 0.447 309 K N -0.221 120.216 120.400 0.062 0.000 2.726 309 K HA 0.208 4.528 4.320 -0.001 0.000 0.209 309 K C 1.064 177.690 176.600 0.043 0.000 1.082 309 K CA -0.120 56.194 56.287 0.045 0.000 1.081 309 K CB 0.742 33.262 32.500 0.033 0.000 0.830 309 K HN 0.339 nan 8.250 nan 0.000 0.470 310 I N -4.170 116.432 120.570 0.053 0.000 4.592 310 I HA 0.319 4.489 4.170 -0.001 0.000 0.329 310 I C 0.696 176.833 176.117 0.034 0.000 1.309 310 I CA -0.491 60.835 61.300 0.043 0.000 1.243 310 I CB 0.402 38.435 38.000 0.056 0.000 1.241 310 I HN -0.182 nan 8.210 nan 0.000 0.434 311 A N 2.553 125.397 122.820 0.041 0.000 2.520 311 A HA 0.235 4.554 4.320 -0.001 0.000 0.235 311 A C 0.112 177.706 177.584 0.018 0.000 1.065 311 A CA 0.175 52.227 52.037 0.025 0.000 0.764 311 A CB 0.119 19.142 19.000 0.040 0.000 1.002 311 A HN 0.359 nan 8.150 nan 0.000 0.502 312 K N 1.406 121.809 120.400 0.005 0.000 2.205 312 K HA 0.100 4.420 4.320 -0.001 0.000 0.279 312 K C -0.509 176.093 176.600 0.003 0.000 1.027 312 K CA -0.506 55.782 56.287 0.000 0.000 0.932 312 K CB 0.791 33.284 32.500 -0.012 0.000 1.032 312 K HN 0.797 nan 8.250 nan 0.000 0.466 313 D N 2.304 122.708 120.400 0.006 0.000 2.425 313 D HA 0.015 4.655 4.640 -0.001 0.000 0.247 313 D C -0.749 175.546 176.300 -0.008 0.000 1.147 313 D CA -0.009 53.998 54.000 0.011 0.000 0.879 313 D CB 0.931 41.738 40.800 0.012 0.000 1.179 313 D HN 0.050 nan 8.370 nan 0.000 0.456 314 V N 6.346 126.259 119.914 -0.002 0.000 2.247 314 V HA 0.127 4.247 4.120 -0.001 0.000 0.262 314 V C 1.375 177.458 176.094 -0.020 0.000 1.096 314 V CA -0.379 61.885 62.300 -0.061 0.000 0.895 314 V CB 0.779 32.503 31.823 -0.166 0.000 1.141 314 V HN 0.470 nan 8.190 nan 0.000 0.478 315 K N 1.812 122.197 120.400 -0.025 0.000 2.186 315 K HA 0.051 4.371 4.320 -0.001 0.000 0.202 315 K C 0.809 177.394 176.600 -0.024 0.000 1.052 315 K CA 0.497 56.778 56.287 -0.010 0.000 0.965 315 K CB 0.325 32.819 32.500 -0.010 0.000 0.746 315 K HN 0.505 nan 8.250 nan 0.000 0.457 316 Q N 0.081 119.847 119.800 -0.057 0.000 2.304 316 Q HA 0.533 4.873 4.340 -0.001 0.000 0.270 316 Q C -1.767 174.156 176.000 -0.129 0.000 1.035 316 Q CA -0.474 55.283 55.803 -0.078 0.000 0.781 316 Q CB 2.114 30.806 28.738 -0.077 0.000 1.261 316 Q HN 0.164 nan 8.270 nan 0.000 0.444 317 A N 2.016 124.761 122.820 -0.126 0.000 2.486 317 A HA 1.083 5.403 4.320 -0.001 0.000 0.289 317 A C -1.430 176.062 177.584 -0.153 0.000 1.176 317 A CA -0.124 51.818 52.037 -0.159 0.000 0.757 317 A CB 1.701 20.616 19.000 -0.142 0.000 1.337 317 A HN 1.102 nan 8.150 nan 0.000 0.423 318 A N -1.019 121.728 122.820 -0.121 0.000 2.608 318 A HA 0.700 5.020 4.320 -0.001 0.000 0.292 318 A C -1.616 175.987 177.584 0.031 0.000 1.066 318 A CA -0.070 51.892 52.037 -0.125 0.000 0.676 318 A CB 1.043 19.791 19.000 -0.421 0.000 1.277 318 A HN 2.176 nan 8.150 nan 0.000 0.413 319 V N 1.896 121.854 119.914 0.074 0.000 2.735 319 V HA 0.666 4.786 4.120 -0.001 0.000 0.310 319 V C -1.265 174.925 176.094 0.159 0.000 1.061 319 V CA -0.790 61.575 62.300 0.109 0.000 0.913 319 V CB 1.680 33.535 31.823 0.053 0.000 1.005 319 V HN 0.792 nan 8.190 nan 0.000 0.428 320 L N 6.909 128.232 121.223 0.167 0.000 2.259 320 L HA 0.790 5.130 4.340 -0.001 0.000 0.288 320 L C 0.588 177.521 176.870 0.106 0.000 1.051 320 L CA 0.247 55.186 54.840 0.165 0.000 0.824 320 L CB 0.796 42.963 42.059 0.180 0.000 1.206 320 L HN 1.049 nan 8.230 nan 0.000 0.429 321 G N 2.218 111.069 108.800 0.084 0.000 3.355 321 G HA2 0.158 4.118 3.960 -0.001 0.000 0.686 321 G HA3 0.158 4.118 3.960 -0.001 0.000 0.686 321 G C -0.427 174.502 174.900 0.049 0.000 1.097 321 G CA -0.367 44.769 45.100 0.060 0.000 0.881 321 G HN 0.870 nan 8.290 nan 0.000 0.550 322 A N 1.596 124.441 122.820 0.043 0.000 2.829 322 A HA 1.165 5.485 4.320 -0.001 0.000 0.248 322 A C 1.988 179.594 177.584 0.036 0.000 1.654 322 A CA 1.402 53.461 52.037 0.036 0.000 0.860 322 A CB 0.099 19.118 19.000 0.032 0.000 1.696 322 A HN 2.998 nan 8.150 nan 0.000 0.576 323 G N -1.467 107.352 108.800 0.033 0.000 2.650 323 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.264 323 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.264 323 G C 0.861 175.778 174.900 0.028 0.000 1.263 323 G CA 0.400 45.521 45.100 0.036 0.000 0.960 323 G HN 0.878 nan 8.290 nan 0.000 0.548 324 I N 0.316 120.904 120.570 0.029 0.000 2.244 324 I HA -0.014 4.156 4.170 -0.001 0.000 0.231 324 I C 3.066 179.194 176.117 0.018 0.000 1.065 324 I CA 1.678 62.993 61.300 0.024 0.000 1.358 324 I CB -0.436 37.580 38.000 0.025 0.000 1.130 324 I HN 0.340 nan 8.210 nan 0.000 0.411 325 M N 0.938 120.547 119.600 0.016 0.000 2.229 325 M HA -0.046 4.433 4.480 -0.001 0.000 0.264 325 M C 2.320 178.603 176.300 -0.029 0.000 1.063 325 M CA 1.571 56.869 55.300 -0.003 0.000 1.114 325 M CB -1.707 30.902 32.600 0.015 0.000 1.387 325 M HN 0.407 nan 8.290 nan 0.000 0.420 326 G N -0.120 108.678 108.800 -0.003 0.000 2.402 326 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.216 326 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.216 326 G C 1.575 176.478 174.900 0.005 0.000 1.162 326 G CA 0.904 46.004 45.100 -0.001 0.000 0.777 326 G HN 0.541 nan 8.290 nan 0.000 0.539 327 G N 0.563 109.375 108.800 0.021 0.000 2.448 327 G HA2 0.115 4.075 3.960 -0.001 0.000 0.219 327 G HA3 0.115 4.075 3.960 -0.001 0.000 0.219 327 G C 1.640 176.584 174.900 0.074 0.000 1.127 327 G CA 1.340 46.464 45.100 0.040 0.000 0.766 327 G HN 0.573 nan 8.290 nan 0.000 0.552 328 G N 1.102 109.934 108.800 0.054 0.000 2.395 328 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.214 328 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.214 328 G C 1.721 176.645 174.900 0.042 0.000 1.177 328 G CA 0.598 45.760 45.100 0.102 0.000 0.794 328 G HN 0.412 nan 8.290 nan 0.000 0.532 329 I N 1.552 122.048 120.570 -0.124 0.000 2.361 329 I HA -0.159 4.011 4.170 -0.001 0.000 0.251 329 I C 3.153 179.226 176.117 -0.073 0.000 1.133 329 I CA 0.921 62.069 61.300 -0.254 0.000 1.413 329 I CB -0.105 37.677 38.000 -0.363 0.000 1.073 329 I HN 0.241 nan 8.210 nan 0.000 0.424 330 A N 0.110 122.932 122.820 0.002 0.000 1.898 330 A HA -0.216 4.104 4.320 -0.001 0.000 0.214 330 A C 2.269 179.895 177.584 0.070 0.000 1.183 330 A CA 1.035 53.095 52.037 0.038 0.000 0.622 330 A CB -0.803 18.226 19.000 0.048 0.000 0.824 330 A HN 0.472 nan 8.150 nan 0.000 0.444 331 Y N 0.455 120.748 120.300 -0.011 0.000 2.114 331 Y HA -0.222 4.328 4.550 -0.001 0.000 0.284 331 Y C 2.536 178.436 175.900 -0.000 0.000 1.143 331 Y CA 2.230 60.330 58.100 -0.000 0.000 1.135 331 Y CB -0.389 38.082 38.460 0.018 0.000 0.980 331 Y HN 0.277 nan 8.280 nan 0.000 0.499 332 Q N -0.314 119.417 119.800 -0.115 0.000 2.096 332 Q HA -0.213 4.127 4.340 -0.001 0.000 0.204 332 Q C 2.622 178.509 176.000 -0.189 0.000 0.982 332 Q CA 1.843 57.528 55.803 -0.197 0.000 0.850 332 Q CB -0.797 27.926 28.738 -0.026 0.000 0.901 332 Q HN 0.499 nan 8.270 nan 0.000 0.422 333 S N -0.243 115.393 115.700 -0.107 0.000 2.423 333 S HA -0.035 4.434 4.470 -0.001 0.000 0.231 333 S C 1.810 176.378 174.600 -0.052 0.000 1.014 333 S CA 0.967 59.138 58.200 -0.048 0.000 0.965 333 S CB 0.051 63.300 63.200 0.081 0.000 0.785 333 S HN 0.406 nan 8.310 nan 0.000 0.495 334 A N 0.435 123.200 122.820 -0.092 0.000 1.935 334 A HA 0.160 4.480 4.320 -0.001 0.000 0.214 334 A C 2.251 179.751 177.584 -0.140 0.000 1.178 334 A CA 1.360 53.347 52.037 -0.084 0.000 0.640 334 A CB -0.757 18.215 19.000 -0.046 0.000 0.825 334 A HN 0.520 nan 8.150 nan 0.000 0.447 335 S N -0.045 115.485 115.700 -0.283 0.000 2.555 335 S HA 0.013 4.483 4.470 -0.001 0.000 0.230 335 S C 1.094 175.586 174.600 -0.181 0.000 0.978 335 S CA 0.729 58.752 58.200 -0.295 0.000 0.934 335 S CB 0.034 62.892 63.200 -0.570 0.000 0.766 335 S HN 0.382 nan 8.310 nan 0.000 0.533 336 K N 0.594 120.907 120.400 -0.146 0.000 2.537 336 K HA 0.293 4.612 4.320 -0.001 0.000 0.206 336 K C 0.698 177.268 176.600 -0.050 0.000 1.041 336 K CA 0.107 56.337 56.287 -0.095 0.000 1.090 336 K CB 0.496 32.931 32.500 -0.108 0.000 0.833 336 K HN 0.289 nan 8.250 nan 0.000 0.493 337 G N 1.916 110.691 108.800 -0.042 0.000 2.289 337 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.280 337 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.280 337 G C -0.278 174.629 174.900 0.013 0.000 1.089 337 G CA 0.340 45.432 45.100 -0.014 0.000 0.939 337 G HN 0.143 nan 8.290 nan 0.000 0.499 338 T N 0.702 115.269 114.554 0.022 0.000 3.089 338 T HA 0.469 4.819 4.350 -0.001 0.000 0.340 338 T C -2.681 172.045 174.700 0.043 0.000 1.008 338 T CA -1.061 61.079 62.100 0.067 0.000 1.096 338 T CB 2.642 71.616 68.868 0.177 0.000 1.024 338 T HN 0.076 nan 8.240 nan 0.000 0.477 339 P HA 0.195 nan 4.420 nan 0.000 0.258 339 P C -0.526 176.765 177.300 -0.015 0.000 1.187 339 P CA -0.002 63.095 63.100 -0.006 0.000 0.767 339 P CB 0.365 32.054 31.700 -0.017 0.000 0.770 340 I N 3.793 124.354 120.570 -0.014 0.000 2.646 340 I HA 0.378 4.548 4.170 -0.001 0.000 0.299 340 I C -1.073 175.011 176.117 -0.054 0.000 1.036 340 I CA -1.333 59.951 61.300 -0.027 0.000 1.074 340 I CB 1.490 39.502 38.000 0.020 0.000 1.258 340 I HN 0.060 nan 8.210 nan 0.000 0.430 341 L N 7.096 128.256 121.223 -0.105 0.000 2.307 341 L HA 0.470 4.809 4.340 -0.001 0.000 0.284 341 L C -0.392 176.464 176.870 -0.023 0.000 1.023 341 L CA -0.517 54.260 54.840 -0.105 0.000 0.810 341 L CB 1.586 43.478 42.059 -0.278 0.000 1.231 341 L HN 0.535 nan 8.230 nan 0.000 0.423 342 M N 4.501 124.110 119.600 0.015 0.000 2.365 342 M HA 0.225 4.704 4.480 -0.001 0.000 0.350 342 M C -0.227 176.113 176.300 0.068 0.000 1.274 342 M CA -0.348 54.978 55.300 0.043 0.000 1.252 342 M CB 0.679 33.296 32.600 0.029 0.000 1.297 342 M HN 0.387 nan 8.290 nan 0.000 0.438 343 K N 2.651 123.127 120.400 0.126 0.000 2.174 343 K HA 0.351 4.670 4.320 -0.001 0.000 0.275 343 K C -0.935 175.690 176.600 0.041 0.000 1.015 343 K CA 0.262 56.616 56.287 0.112 0.000 0.933 343 K CB 1.094 33.750 32.500 0.260 0.000 1.025 343 K HN 0.622 nan 8.250 nan 0.000 0.463 344 D N 1.836 122.222 120.400 -0.023 0.000 2.768 344 D HA 0.173 4.813 4.640 -0.001 0.000 0.327 344 D C 0.833 177.101 176.300 -0.054 0.000 1.302 344 D CA -0.376 53.615 54.000 -0.016 0.000 0.897 344 D CB 1.081 41.887 40.800 0.011 0.000 1.420 344 D HN 0.437 nan 8.370 nan 0.000 0.494 345 I N -1.286 119.267 120.570 -0.028 0.000 3.339 345 I HA 0.257 4.426 4.170 -0.001 0.000 0.285 345 I C 0.205 176.310 176.117 -0.019 0.000 1.201 345 I CA -0.153 61.126 61.300 -0.035 0.000 1.434 345 I CB -0.038 37.952 38.000 -0.018 0.000 1.152 345 I HN 0.160 nan 8.210 nan 0.000 0.443 346 N N 0.394 119.096 118.700 0.004 0.000 2.272 346 N HA 0.235 4.975 4.740 -0.001 0.000 0.305 346 N C -0.036 175.498 175.510 0.039 0.000 1.103 346 N CA -0.791 52.272 53.050 0.022 0.000 0.791 346 N CB 1.262 39.769 38.487 0.033 0.000 1.356 346 N HN 0.040 nan 8.380 nan 0.000 0.486 347 E N -0.826 119.398 120.200 0.039 0.000 2.160 347 E HA -0.285 4.065 4.350 -0.001 0.000 0.195 347 E C 0.811 177.440 176.600 0.048 0.000 0.991 347 E CA 0.957 57.375 56.400 0.031 0.000 0.810 347 E CB -0.239 29.473 29.700 0.020 0.000 0.742 347 E HN 0.603 nan 8.360 nan 0.000 0.466 348 H N 0.422 119.487 119.070 -0.007 0.000 2.456 348 H HA -0.043 4.512 4.556 -0.001 0.000 0.296 348 H C 1.987 177.314 175.328 -0.002 0.000 1.079 348 H CA 1.575 57.620 56.048 -0.004 0.000 1.322 348 H CB -0.019 29.741 29.762 -0.003 0.000 1.388 348 H HN 0.220 nan 8.280 nan 0.000 0.538 349 G N 0.909 109.804 108.800 0.158 0.000 2.404 349 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.214 349 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.214 349 G C 1.999 176.921 174.900 0.038 0.000 1.189 349 G CA 0.721 45.886 45.100 0.108 0.000 0.789 349 G HN 0.399 nan 8.290 nan 0.000 0.533 350 I N 0.849 121.430 120.570 0.018 0.000 2.248 350 I HA -0.173 3.997 4.170 -0.001 0.000 0.248 350 I C 2.718 178.822 176.117 -0.022 0.000 1.107 350 I CA 1.016 62.317 61.300 0.001 0.000 1.373 350 I CB -0.181 37.818 38.000 -0.003 0.000 1.055 350 I HN 0.122 nan 8.210 nan 0.000 0.418 351 E N 0.691 120.858 120.200 -0.056 0.000 2.051 351 E HA -0.218 4.132 4.350 -0.001 0.000 0.192 351 E C 2.237 178.786 176.600 -0.084 0.000 0.991 351 E CA 1.150 57.493 56.400 -0.095 0.000 0.799 351 E CB -0.345 29.243 29.700 -0.187 0.000 0.748 351 E HN 0.528 nan 8.360 nan 0.000 0.449 352 Q N -0.216 119.537 119.800 -0.079 0.000 2.096 352 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 352 Q C 2.265 178.257 176.000 -0.013 0.000 0.982 352 Q CA 1.529 57.310 55.803 -0.036 0.000 0.850 352 Q CB -0.868 27.880 28.738 0.016 0.000 0.901 352 Q HN 0.372 nan 8.270 nan 0.000 0.422 353 G N 1.097 109.896 108.800 -0.002 0.000 2.453 353 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.215 353 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.215 353 G C 1.601 176.502 174.900 0.002 0.000 1.201 353 G CA 0.642 45.746 45.100 0.008 0.000 0.784 353 G HN 0.274 nan 8.290 nan 0.000 0.545 354 L N 0.881 122.102 121.223 -0.004 0.000 2.081 354 L HA -0.131 4.208 4.340 -0.001 0.000 0.212 354 L C 3.401 180.263 176.870 -0.014 0.000 1.080 354 L CA 1.056 55.893 54.840 -0.004 0.000 0.754 354 L CB -0.462 41.591 42.059 -0.010 0.000 0.893 354 L HN 0.326 nan 8.230 nan 0.000 0.433 355 A N -0.229 122.576 122.820 -0.026 0.000 1.858 355 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 355 A C 2.243 179.805 177.584 -0.037 0.000 1.190 355 A CA 1.434 53.451 52.037 -0.033 0.000 0.617 355 A CB -0.374 18.602 19.000 -0.039 0.000 0.827 355 A HN 0.328 nan 8.150 nan 0.000 0.443 356 E N 0.047 120.227 120.200 -0.033 0.000 2.077 356 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 356 E C 2.298 178.844 176.600 -0.090 0.000 0.989 356 E CA 1.304 57.676 56.400 -0.047 0.000 0.800 356 E CB -0.681 29.007 29.700 -0.020 0.000 0.746 356 E HN 0.573 nan 8.360 nan 0.000 0.452 357 A N 1.277 124.064 122.820 -0.054 0.000 1.972 357 A HA -0.038 4.281 4.320 -0.001 0.000 0.219 357 A C 2.372 179.914 177.584 -0.070 0.000 1.169 357 A CA 1.867 53.872 52.037 -0.053 0.000 0.635 357 A CB -0.398 18.638 19.000 0.059 0.000 0.810 357 A HN 0.260 nan 8.150 nan 0.000 0.446 358 A N -0.133 122.659 122.820 -0.046 0.000 1.929 358 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 358 A C 2.061 179.603 177.584 -0.069 0.000 1.176 358 A CA 1.509 53.523 52.037 -0.038 0.000 0.628 358 A CB -0.339 18.647 19.000 -0.024 0.000 0.816 358 A HN 0.514 nan 8.150 nan 0.000 0.444 359 K N -0.238 120.109 120.400 -0.089 0.000 2.147 359 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 359 K C 1.736 178.247 176.600 -0.149 0.000 1.049 359 K CA 1.270 57.499 56.287 -0.096 0.000 0.936 359 K CB -0.342 32.109 32.500 -0.081 0.000 0.722 359 K HN 0.468 nan 8.250 nan 0.000 0.446 360 L N 0.566 121.635 121.223 -0.256 0.000 2.044 360 L HA -0.129 4.211 4.340 -0.001 0.000 0.205 360 L C 2.285 179.004 176.870 -0.251 0.000 1.075 360 L CA 0.868 55.466 54.840 -0.404 0.000 0.747 360 L CB -0.416 41.109 42.059 -0.889 0.000 0.903 360 L HN 0.121 nan 8.230 nan 0.000 0.435 361 L N -0.754 120.381 121.223 -0.148 0.000 2.017 361 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 361 L C 2.520 179.381 176.870 -0.015 0.000 1.073 361 L CA 0.910 55.753 54.840 0.005 0.000 0.745 361 L CB -0.582 41.514 42.059 0.061 0.000 0.894 361 L HN 0.058 nan 8.230 nan 0.000 0.432 362 V N 0.202 120.095 119.914 -0.036 0.000 2.490 362 V HA -0.181 3.938 4.120 -0.001 0.000 0.250 362 V C 2.630 178.703 176.094 -0.034 0.000 1.061 362 V CA 1.777 64.061 62.300 -0.027 0.000 1.064 362 V CB -1.291 30.515 31.823 -0.029 0.000 0.670 362 V HN 0.582 nan 8.190 nan 0.000 0.461 363 G N 0.012 108.777 108.800 -0.058 0.000 2.440 363 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 363 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 363 G C 1.790 176.668 174.900 -0.037 0.000 1.154 363 G CA 0.698 45.764 45.100 -0.057 0.000 0.767 363 G HN 0.441 nan 8.290 nan 0.000 0.552 364 R N -0.429 120.054 120.500 -0.029 0.000 2.100 364 R HA 0.083 4.423 4.340 -0.001 0.000 0.220 364 R C 2.638 178.937 176.300 -0.002 0.000 1.091 364 R CA 0.774 56.870 56.100 -0.008 0.000 0.986 364 R CB -0.321 29.985 30.300 0.010 0.000 0.888 364 R HN 0.322 nan 8.270 nan 0.000 0.444 365 V N 1.308 121.221 119.914 -0.002 0.000 2.427 365 V HA -0.170 3.949 4.120 -0.001 0.000 0.248 365 V C 0.765 176.857 176.094 -0.003 0.000 1.051 365 V CA 1.672 63.973 62.300 0.001 0.000 1.048 365 V CB -0.365 31.459 31.823 0.002 0.000 0.666 365 V HN 0.172 nan 8.190 nan 0.000 0.456 366 D N 0.136 120.531 120.400 -0.007 0.000 2.355 366 D HA 0.194 4.833 4.640 -0.001 0.000 0.253 366 D C 1.456 177.753 176.300 -0.005 0.000 1.187 366 D CA 1.018 55.014 54.000 -0.007 0.000 0.900 366 D CB 0.024 40.818 40.800 -0.011 0.000 0.915 366 D HN 0.572 nan 8.370 nan 0.000 0.516 367 K N -1.637 118.761 120.400 -0.004 0.000 2.611 367 K HA 0.500 4.819 4.320 -0.001 0.000 0.209 367 K C 1.378 177.978 176.600 0.000 0.000 1.658 367 K CA 0.419 56.704 56.287 -0.002 0.000 1.080 367 K CB 0.219 32.717 32.500 -0.002 0.000 1.430 367 K HN 0.125 nan 8.250 nan 0.000 0.596 368 G N 0.217 109.017 108.800 0.001 0.000 2.260 368 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.179 368 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.179 368 G C 1.097 176.000 174.900 0.004 0.000 1.002 368 G CA 0.321 45.423 45.100 0.002 0.000 0.677 368 G HN 0.203 nan 8.290 nan 0.000 0.486 369 R N -0.309 120.195 120.500 0.005 0.000 2.200 369 R HA 0.331 4.671 4.340 -0.001 0.000 0.208 369 R C 1.202 177.509 176.300 0.011 0.000 1.033 369 R CA 0.669 56.774 56.100 0.008 0.000 1.000 369 R CB -0.116 30.190 30.300 0.010 0.000 0.906 369 R HN 0.550 nan 8.270 nan 0.000 0.462 370 M N 0.442 120.049 119.600 0.011 0.000 2.465 370 M HA 0.256 4.736 4.480 -0.001 0.000 0.316 370 M C -0.942 175.365 176.300 0.011 0.000 1.121 370 M CA -0.299 55.010 55.300 0.015 0.000 0.934 370 M CB 2.312 34.927 32.600 0.025 0.000 1.692 370 M HN -0.160 nan 8.290 nan 0.000 0.444 371 T N 5.391 119.951 114.554 0.010 0.000 2.884 371 T HA 0.199 4.549 4.350 -0.001 0.000 0.298 371 T C -2.107 172.598 174.700 0.009 0.000 0.998 371 T CA -0.950 61.155 62.100 0.008 0.000 1.124 371 T CB 0.742 69.614 68.868 0.006 0.000 0.931 371 T HN 0.502 nan 8.240 nan 0.000 0.531 372 P HA -0.070 nan 4.420 nan 0.000 0.218 372 P C 1.270 178.574 177.300 0.007 0.000 1.148 372 P CA 0.651 63.755 63.100 0.007 0.000 0.822 372 P CB 0.082 31.785 31.700 0.004 0.000 0.784 373 A N -0.535 122.289 122.820 0.006 0.000 2.014 373 A HA -0.046 4.274 4.320 -0.001 0.000 0.218 373 A C 2.285 179.873 177.584 0.006 0.000 1.163 373 A CA 1.945 53.985 52.037 0.005 0.000 0.652 373 A CB -1.267 17.735 19.000 0.004 0.000 0.808 373 A HN 0.214 nan 8.150 nan 0.000 0.449 374 K N -0.448 119.956 120.400 0.007 0.000 2.116 374 K HA 0.158 4.477 4.320 -0.001 0.000 0.203 374 K C 2.004 178.612 176.600 0.012 0.000 1.052 374 K CA 1.433 57.724 56.287 0.007 0.000 0.952 374 K CB -0.800 31.704 32.500 0.007 0.000 0.729 374 K HN 0.572 nan 8.250 nan 0.000 0.446 375 M N 0.207 119.818 119.600 0.018 0.000 2.279 375 M HA -0.043 4.436 4.480 -0.001 0.000 0.264 375 M C 2.424 178.738 176.300 0.022 0.000 1.062 375 M CA 1.562 56.878 55.300 0.028 0.000 1.099 375 M CB -0.140 32.475 32.600 0.025 0.000 1.394 375 M HN 0.427 nan 8.290 nan 0.000 0.426 376 A N 0.465 123.293 122.820 0.014 0.000 1.855 376 A HA -0.171 4.149 4.320 -0.001 0.000 0.215 376 A C 1.838 179.427 177.584 0.009 0.000 1.191 376 A CA 1.799 53.842 52.037 0.010 0.000 0.613 376 A CB -0.737 18.267 19.000 0.007 0.000 0.829 376 A HN 0.629 nan 8.150 nan 0.000 0.442 377 E N -0.223 119.981 120.200 0.006 0.000 2.038 377 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 377 E C 2.041 178.642 176.600 0.002 0.000 1.000 377 E CA 1.534 57.935 56.400 0.002 0.000 0.803 377 E CB -0.400 29.299 29.700 -0.002 0.000 0.750 377 E HN 0.382 nan 8.360 nan 0.000 0.448 378 V N 1.658 121.574 119.914 0.004 0.000 2.282 378 V HA -0.286 3.834 4.120 -0.001 0.000 0.249 378 V C 2.402 178.509 176.094 0.021 0.000 1.057 378 V CA 1.646 63.949 62.300 0.004 0.000 1.032 378 V CB -0.548 31.286 31.823 0.018 0.000 0.645 378 V HN 0.267 nan 8.190 nan 0.000 0.447 379 L N 0.196 121.436 121.223 0.029 0.000 2.083 379 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 379 L C 2.421 179.300 176.870 0.016 0.000 1.083 379 L CA 1.408 56.265 54.840 0.028 0.000 0.752 379 L CB -0.620 41.453 42.059 0.024 0.000 0.899 379 L HN 0.421 nan 8.230 nan 0.000 0.433 380 N N 0.055 118.761 118.700 0.009 0.000 2.331 380 N HA -0.087 4.652 4.740 -0.001 0.000 0.180 380 N C 1.825 177.336 175.510 0.001 0.000 1.019 380 N CA 1.256 54.309 53.050 0.004 0.000 0.881 380 N CB -0.202 38.287 38.487 0.002 0.000 0.972 380 N HN 0.352 nan 8.380 nan 0.000 0.435 381 G N 1.079 109.879 108.800 0.001 0.000 2.422 381 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.218 381 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.218 381 G C 0.750 175.648 174.900 -0.003 0.000 1.140 381 G CA 0.115 45.213 45.100 -0.003 0.000 0.775 381 G HN 0.217 nan 8.290 nan 0.000 0.545 382 I N 1.170 121.744 120.570 0.006 0.000 2.352 382 I HA 0.294 4.464 4.170 -0.001 0.000 0.290 382 I C -0.098 176.020 176.117 0.002 0.000 1.036 382 I CA -0.253 61.052 61.300 0.009 0.000 1.336 382 I CB 1.060 39.076 38.000 0.027 0.000 1.407 382 I HN -0.049 nan 8.210 nan 0.000 0.497 383 R N 6.949 127.445 120.500 -0.008 0.000 2.371 383 R HA 0.409 4.748 4.340 -0.001 0.000 0.312 383 R C -2.613 173.684 176.300 -0.004 0.000 0.980 383 R CA -1.831 54.263 56.100 -0.009 0.000 0.867 383 R CB 1.377 31.665 30.300 -0.020 0.000 1.163 383 R HN 0.270 nan 8.270 nan 0.000 0.492 384 P HA 0.055 nan 4.420 nan 0.000 0.270 384 P C -0.318 176.989 177.300 0.012 0.000 1.223 384 P CA 0.087 63.192 63.100 0.008 0.000 0.785 384 P CB 0.860 32.561 31.700 0.003 0.000 0.923 385 T N 0.557 115.119 114.554 0.015 0.000 2.927 385 T HA 0.277 4.626 4.350 -0.001 0.000 0.350 385 T C -0.763 173.918 174.700 -0.030 0.000 1.746 385 T CA -0.516 61.590 62.100 0.010 0.000 1.081 385 T CB -0.027 68.880 68.868 0.065 0.000 1.551 385 T HN 0.129 nan 8.240 nan 0.000 0.489 386 L N 2.665 123.842 121.223 -0.076 0.000 3.069 386 L HA 0.415 4.755 4.340 -0.001 0.000 0.271 386 L C 0.772 177.491 176.870 -0.252 0.000 1.201 386 L CA -0.186 54.575 54.840 -0.132 0.000 1.015 386 L CB 0.482 42.491 42.059 -0.083 0.000 1.371 386 L HN 0.750 nan 8.230 nan 0.000 0.574 387 S N -2.594 112.929 115.700 -0.296 0.000 2.851 387 S HA 0.448 4.917 4.470 -0.001 0.000 0.313 387 S C -0.347 173.864 174.600 -0.647 0.000 1.163 387 S CA -0.523 57.406 58.200 -0.451 0.000 0.850 387 S CB 0.961 64.037 63.200 -0.207 0.000 1.245 387 S HN 0.080 nan 8.310 nan 0.000 0.558 388 Y N -0.160 119.926 120.300 -0.357 0.000 2.660 388 Y HA 0.397 4.947 4.550 -0.001 0.000 0.254 388 Y C 2.108 177.937 175.900 -0.118 0.000 1.176 388 Y CA -0.439 57.342 58.100 -0.531 0.000 1.195 388 Y CB 0.210 38.085 38.460 -0.976 0.000 1.190 388 Y HN 0.838 nan 8.280 nan 0.000 0.535 389 G N 0.151 108.988 108.800 0.060 0.000 2.462 389 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.220 389 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.220 389 G C 1.118 176.116 174.900 0.163 0.000 1.121 389 G CA 1.241 46.397 45.100 0.094 0.000 0.758 389 G HN 0.294 nan 8.290 nan 0.000 0.559 390 D N -0.368 120.178 120.400 0.242 0.000 2.363 390 D HA 0.093 4.732 4.640 -0.001 0.000 0.214 390 D C 0.701 177.121 176.300 0.200 0.000 1.093 390 D CA -0.300 53.806 54.000 0.177 0.000 0.837 390 D CB 0.059 40.914 40.800 0.091 0.000 0.948 390 D HN 0.262 nan 8.370 nan 0.000 0.507 391 F N 1.378 121.375 119.950 0.078 0.000 2.795 391 F HA 0.152 4.679 4.527 -0.000 0.000 0.303 391 F C 2.254 178.099 175.800 0.074 0.000 1.186 391 F CA -0.240 57.817 58.000 0.095 0.000 1.415 391 F CB -0.381 38.718 39.000 0.165 0.000 1.106 391 F HN -0.028 nan 8.300 nan 0.000 0.558 392 G N 0.753 109.672 108.800 0.197 0.000 2.422 392 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.218 392 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.218 392 G C 1.524 176.468 174.900 0.073 0.000 1.146 392 G CA 0.946 46.121 45.100 0.126 0.000 0.769 392 G HN 0.446 nan 8.290 nan 0.000 0.547 393 N N 0.108 118.831 118.700 0.038 0.000 2.203 393 N HA 0.066 4.805 4.740 -0.001 0.000 0.207 393 N C 0.047 175.546 175.510 -0.019 0.000 1.130 393 N CA -0.173 52.883 53.050 0.009 0.000 0.861 393 N CB 0.279 38.765 38.487 -0.001 0.000 1.005 393 N HN 0.074 nan 8.380 nan 0.000 0.507 394 V N 1.978 121.874 119.914 -0.030 0.000 2.585 394 V HA 0.008 4.127 4.120 -0.001 0.000 0.296 394 V C 0.843 176.912 176.094 -0.043 0.000 1.035 394 V CA 0.127 62.381 62.300 -0.076 0.000 1.084 394 V CB 1.067 32.809 31.823 -0.136 0.000 0.953 394 V HN 0.183 nan 8.190 nan 0.000 0.483 395 D N 3.019 123.372 120.400 -0.077 0.000 2.262 395 D HA 0.165 4.804 4.640 -0.001 0.000 0.212 395 D C 0.329 176.575 176.300 -0.090 0.000 0.964 395 D CA 0.753 54.710 54.000 -0.072 0.000 0.875 395 D CB 0.834 41.583 40.800 -0.086 0.000 0.996 395 D HN 0.356 nan 8.370 nan 0.000 0.497 396 L N 1.260 122.390 121.223 -0.155 0.000 2.410 396 L HA 0.369 4.709 4.340 -0.001 0.000 0.270 396 L C -1.514 175.293 176.870 -0.106 0.000 0.983 396 L CA -0.597 54.146 54.840 -0.161 0.000 0.822 396 L CB 2.497 44.351 42.059 -0.341 0.000 1.285 396 L HN -0.336 nan 8.230 nan 0.000 0.409 397 V N 5.023 124.943 119.914 0.010 0.000 2.495 397 V HA 0.519 4.638 4.120 -0.001 0.000 0.298 397 V C -0.324 175.850 176.094 0.134 0.000 1.031 397 V CA -0.622 61.734 62.300 0.095 0.000 0.871 397 V CB 2.003 33.942 31.823 0.194 0.000 0.988 397 V HN 0.456 nan 8.190 nan 0.000 0.432 398 V N 3.436 123.440 119.914 0.150 0.000 2.513 398 V HA 0.508 4.627 4.120 -0.001 0.000 0.299 398 V C -0.059 176.140 176.094 0.174 0.000 1.035 398 V CA -0.640 61.765 62.300 0.176 0.000 0.889 398 V CB 1.890 33.822 31.823 0.183 0.000 0.988 398 V HN 0.902 nan 8.190 nan 0.000 0.440 399 E N 2.969 123.280 120.200 0.185 0.000 2.191 399 E HA 0.679 5.029 4.350 -0.001 0.000 0.278 399 E C -0.250 176.432 176.600 0.136 0.000 0.972 399 E CA -0.408 56.091 56.400 0.166 0.000 0.804 399 E CB 2.080 31.889 29.700 0.182 0.000 1.110 399 E HN 0.764 nan 8.360 nan 0.000 0.394 400 A N 4.518 127.403 122.820 0.108 0.000 2.630 400 A HA 0.234 4.553 4.320 -0.001 0.000 0.287 400 A C -0.032 177.596 177.584 0.073 0.000 1.040 400 A CA -0.323 51.765 52.037 0.084 0.000 0.971 400 A CB 0.239 19.273 19.000 0.057 0.000 1.241 400 A HN 0.334 nan 8.150 nan 0.000 0.558 401 V N 0.704 120.665 119.914 0.078 0.000 3.139 401 V HA 0.035 4.155 4.120 -0.001 0.000 0.307 401 V C 1.186 177.311 176.094 0.051 0.000 1.095 401 V CA -0.118 62.219 62.300 0.061 0.000 1.160 401 V CB 0.963 32.823 31.823 0.062 0.000 1.003 401 V HN 0.283 nan 8.190 nan 0.000 0.489 402 V N 2.101 122.037 119.914 0.036 0.000 3.083 402 V HA -0.047 4.072 4.120 -0.001 0.000 0.303 402 V C 0.868 176.978 176.094 0.027 0.000 1.151 402 V CA -0.030 62.285 62.300 0.025 0.000 1.275 402 V CB -0.069 31.761 31.823 0.012 0.000 0.950 402 V HN 0.822 nan 8.190 nan 0.000 0.506 403 E N 4.286 124.498 120.200 0.020 0.000 2.037 403 E HA 0.061 4.411 4.350 -0.001 0.000 0.253 403 E C -0.153 176.458 176.600 0.017 0.000 1.265 403 E CA 0.379 56.794 56.400 0.024 0.000 0.972 403 E CB -0.350 29.362 29.700 0.020 0.000 1.054 403 E HN 0.602 nan 8.360 nan 0.000 0.432 404 N N 4.106 122.821 118.700 0.025 0.000 2.616 404 N HA 0.128 4.868 4.740 -0.001 0.000 0.281 404 N C -2.426 173.097 175.510 0.021 0.000 1.145 404 N CA -1.406 51.655 53.050 0.018 0.000 0.919 404 N CB 1.748 40.241 38.487 0.010 0.000 1.509 404 N HN -0.112 nan 8.380 nan 0.000 0.537 405 P HA -0.184 nan 4.420 nan 0.000 0.216 405 P C 1.166 178.469 177.300 0.005 0.000 1.157 405 P CA 1.485 64.595 63.100 0.017 0.000 0.880 405 P CB 0.502 32.210 31.700 0.013 0.000 0.791 406 K N -0.521 119.880 120.400 0.001 0.000 1.985 406 K HA -0.069 4.250 4.320 -0.001 0.000 0.210 406 K C 2.123 178.720 176.600 -0.006 0.000 1.047 406 K CA 1.145 57.429 56.287 -0.006 0.000 0.932 406 K CB -1.578 30.920 32.500 -0.005 0.000 0.716 406 K HN 0.065 nan 8.250 nan 0.000 0.439 407 V N 2.150 122.065 119.914 0.002 0.000 2.252 407 V HA -0.284 3.836 4.120 -0.001 0.000 0.249 407 V C 2.402 178.501 176.094 0.008 0.000 1.056 407 V CA 1.943 64.247 62.300 0.006 0.000 1.022 407 V CB -0.513 31.318 31.823 0.012 0.000 0.641 407 V HN 0.359 nan 8.190 nan 0.000 0.445 408 K N -0.485 119.924 120.400 0.015 0.000 2.113 408 K HA -0.264 4.056 4.320 -0.001 0.000 0.208 408 K C 2.324 178.913 176.600 -0.018 0.000 1.047 408 K CA 1.861 58.160 56.287 0.020 0.000 0.928 408 K CB -0.251 32.276 32.500 0.044 0.000 0.716 408 K HN 0.560 nan 8.250 nan 0.000 0.446 409 Q N -0.153 119.625 119.800 -0.037 0.000 2.079 409 Q HA -0.128 4.212 4.340 -0.001 0.000 0.200 409 Q C 2.208 178.164 176.000 -0.073 0.000 0.974 409 Q CA 1.383 57.139 55.803 -0.078 0.000 0.840 409 Q CB -0.123 28.576 28.738 -0.065 0.000 0.898 409 Q HN 0.359 nan 8.270 nan 0.000 0.430 410 A N 0.262 123.056 122.820 -0.042 0.000 1.877 410 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 410 A C 2.314 179.879 177.584 -0.032 0.000 1.186 410 A CA 1.418 53.434 52.037 -0.035 0.000 0.620 410 A CB -0.718 18.272 19.000 -0.016 0.000 0.822 410 A HN 0.210 nan 8.150 nan 0.000 0.443 411 V N 0.167 120.076 119.914 -0.010 0.000 2.295 411 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 411 V C 2.580 178.662 176.094 -0.020 0.000 1.049 411 V CA 1.994 64.303 62.300 0.015 0.000 1.024 411 V CB -0.945 30.908 31.823 0.051 0.000 0.648 411 V HN 0.553 nan 8.190 nan 0.000 0.447 412 L N 0.302 121.499 121.223 -0.044 0.000 2.012 412 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 412 L C 2.740 179.536 176.870 -0.125 0.000 1.073 412 L CA 1.814 56.603 54.840 -0.086 0.000 0.748 412 L CB -0.833 41.111 42.059 -0.192 0.000 0.891 412 L HN 0.365 nan 8.230 nan 0.000 0.431 413 A N -0.632 122.107 122.820 -0.136 0.000 1.972 413 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 413 A C 2.238 179.734 177.584 -0.146 0.000 1.169 413 A CA 1.817 53.772 52.037 -0.137 0.000 0.635 413 A CB -0.464 18.465 19.000 -0.117 0.000 0.810 413 A HN 0.502 nan 8.150 nan 0.000 0.446 414 E N -0.191 119.925 120.200 -0.141 0.000 2.028 414 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 414 E C 1.784 178.186 176.600 -0.329 0.000 0.988 414 E CA 1.503 57.789 56.400 -0.189 0.000 0.799 414 E CB -0.104 29.525 29.700 -0.118 0.000 0.755 414 E HN 0.313 nan 8.360 nan 0.000 0.447 415 V N 1.367 121.073 119.914 -0.347 0.000 2.594 415 V HA -0.214 3.906 4.120 -0.001 0.000 0.253 415 V C 2.260 178.228 176.094 -0.210 0.000 1.069 415 V CA 1.989 64.044 62.300 -0.408 0.000 1.082 415 V CB -0.616 31.114 31.823 -0.156 0.000 0.680 415 V HN 0.352 nan 8.190 nan 0.000 0.469 416 E N 0.554 120.656 120.200 -0.163 0.000 2.333 416 E HA -0.188 4.162 4.350 -0.001 0.000 0.198 416 E C 1.410 177.911 176.600 -0.165 0.000 1.007 416 E CA 0.805 57.135 56.400 -0.117 0.000 0.845 416 E CB 0.003 29.640 29.700 -0.106 0.000 0.766 416 E HN 0.610 nan 8.360 nan 0.000 0.507 417 N N -0.376 118.147 118.700 -0.296 0.000 2.235 417 N HA 0.005 4.745 4.740 -0.001 0.000 0.209 417 N C -0.100 175.036 175.510 -0.622 0.000 1.122 417 N CA 0.270 53.070 53.050 -0.418 0.000 0.845 417 N CB 0.612 38.807 38.487 -0.487 0.000 1.004 417 N HN 0.249 nan 8.380 nan 0.000 0.499 418 H N -0.834 118.138 119.070 -0.163 0.000 3.052 418 H HA 0.199 4.755 4.556 -0.001 0.000 0.257 418 H C 0.262 175.604 175.328 0.024 0.000 1.193 418 H CA -0.099 55.884 56.048 -0.107 0.000 1.072 418 H CB 0.870 30.474 29.762 -0.264 0.000 1.685 418 H HN -0.054 nan 8.280 nan 0.000 0.630 419 V N -1.999 117.972 119.914 0.095 0.000 3.141 419 V HA 0.562 4.682 4.120 -0.001 0.000 0.312 419 V C 0.372 176.501 176.094 0.058 0.000 1.157 419 V CA -1.398 60.976 62.300 0.124 0.000 1.041 419 V CB 2.558 34.469 31.823 0.146 0.000 1.071 419 V HN -0.034 nan 8.190 nan 0.000 0.441 420 R N 0.604 121.136 120.500 0.054 0.000 2.811 420 R HA 0.110 4.450 4.340 -0.001 0.000 0.265 420 R C 1.320 177.630 176.300 0.017 0.000 1.026 420 R CA 0.602 56.719 56.100 0.029 0.000 1.142 420 R CB 0.553 30.867 30.300 0.024 0.000 1.027 420 R HN 1.047 nan 8.270 nan 0.000 0.465 421 E N 0.948 121.152 120.200 0.007 0.000 2.208 421 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 421 E C 0.581 177.185 176.600 0.006 0.000 0.988 421 E CA 1.569 57.969 56.400 0.001 0.000 0.828 421 E CB -0.006 29.691 29.700 -0.004 0.000 0.763 421 E HN 0.664 nan 8.360 nan 0.000 0.478 422 D N 0.719 121.124 120.400 0.007 0.000 2.319 422 D HA 0.088 4.728 4.640 -0.001 0.000 0.230 422 D C 0.143 176.446 176.300 0.006 0.000 1.094 422 D CA 0.149 54.153 54.000 0.006 0.000 0.856 422 D CB 0.175 40.977 40.800 0.004 0.000 0.915 422 D HN 0.268 nan 8.370 nan 0.000 0.517 423 A N 0.633 123.461 122.820 0.013 0.000 2.340 423 A HA 0.466 4.786 4.320 -0.001 0.000 0.268 423 A C -0.186 177.411 177.584 0.022 0.000 1.100 423 A CA -0.509 51.536 52.037 0.014 0.000 0.803 423 A CB 0.472 19.490 19.000 0.030 0.000 1.043 423 A HN 0.128 nan 8.150 nan 0.000 0.488 424 I N 1.399 121.975 120.570 0.009 0.000 2.385 424 I HA 0.348 4.518 4.170 -0.001 0.000 0.294 424 I C -0.100 176.052 176.117 0.058 0.000 0.988 424 I CA 0.280 61.594 61.300 0.023 0.000 1.265 424 I CB 1.276 39.266 38.000 -0.016 0.000 1.388 424 I HN 0.470 nan 8.210 nan 0.000 0.480 425 L N 5.694 126.994 121.223 0.129 0.000 2.334 425 L HA 0.915 5.254 4.340 -0.001 0.000 0.276 425 L C -0.244 176.756 176.870 0.216 0.000 1.014 425 L CA -0.715 54.259 54.840 0.224 0.000 0.815 425 L CB 1.700 43.950 42.059 0.318 0.000 1.268 425 L HN 0.718 nan 8.230 nan 0.000 0.428 426 A N 1.658 124.592 122.820 0.191 0.000 2.459 426 A HA 0.621 4.941 4.320 -0.001 0.000 0.296 426 A C -0.845 176.842 177.584 0.173 0.000 1.039 426 A CA -0.413 51.643 52.037 0.032 0.000 0.698 426 A CB 2.041 21.049 19.000 0.012 0.000 1.261 426 A HN 0.538 nan 8.150 nan 0.000 0.405 427 S N 0.393 116.173 115.700 0.134 0.000 2.617 427 S HA 0.392 4.862 4.470 -0.001 0.000 0.283 427 S C 0.613 175.299 174.600 0.143 0.000 1.189 427 S CA -0.354 57.980 58.200 0.224 0.000 1.036 427 S CB 0.912 64.323 63.200 0.352 0.000 1.014 427 S HN 0.791 nan 8.310 nan 0.000 0.522 428 N N 1.854 120.657 118.700 0.171 0.000 2.230 428 N HA 0.117 4.856 4.740 -0.001 0.000 0.202 428 N C 0.413 175.991 175.510 0.113 0.000 1.119 428 N CA -0.006 53.164 53.050 0.200 0.000 0.851 428 N CB 0.306 38.939 38.487 0.242 0.000 0.990 428 N HN 0.590 nan 8.380 nan 0.000 0.497 429 T N -1.326 113.279 114.554 0.085 0.000 2.785 429 T HA 0.013 4.363 4.350 -0.001 0.000 0.341 429 T C 1.249 175.909 174.700 -0.068 0.000 1.093 429 T CA 0.938 63.071 62.100 0.054 0.000 1.103 429 T CB 0.390 69.324 68.868 0.111 0.000 1.011 429 T HN 0.396 nan 8.240 nan 0.000 0.549 430 S N -0.161 115.496 115.700 -0.071 0.000 2.631 430 S HA 0.107 4.576 4.470 -0.001 0.000 0.246 430 S C 1.400 175.858 174.600 -0.236 0.000 1.068 430 S CA 0.465 58.554 58.200 -0.186 0.000 0.995 430 S CB 0.087 63.258 63.200 -0.048 0.000 0.944 430 S HN 0.879 nan 8.310 nan 0.000 0.529 431 T N 0.044 114.512 114.554 -0.143 0.000 3.145 431 T HA 0.543 4.893 4.350 -0.001 0.000 0.281 431 T C 0.059 174.675 174.700 -0.140 0.000 1.003 431 T CA -0.425 61.563 62.100 -0.187 0.000 0.901 431 T CB -0.368 68.454 68.868 -0.076 0.000 1.112 431 T HN 0.360 nan 8.240 nan 0.000 0.535 432 I N 1.582 122.112 120.570 -0.066 0.000 2.474 432 I HA 0.438 4.607 4.170 -0.001 0.000 0.294 432 I C 0.201 176.371 176.117 0.088 0.000 1.005 432 I CA -1.209 60.098 61.300 0.011 0.000 1.113 432 I CB 2.132 40.167 38.000 0.060 0.000 1.289 432 I HN 0.069 nan 8.210 nan 0.000 0.436 433 S N 4.074 119.818 115.700 0.074 0.000 2.516 433 S HA 0.143 4.613 4.470 -0.001 0.000 0.282 433 S C 1.075 175.796 174.600 0.201 0.000 1.286 433 S CA -0.298 57.987 58.200 0.142 0.000 1.066 433 S CB 0.296 63.541 63.200 0.076 0.000 0.884 433 S HN 0.440 nan 8.310 nan 0.000 0.491 434 I N 5.198 125.920 120.570 0.253 0.000 2.315 434 I HA -0.096 4.074 4.170 -0.001 0.000 0.248 434 I C 2.542 178.836 176.117 0.294 0.000 1.117 434 I CA 1.392 62.856 61.300 0.274 0.000 1.404 434 I CB -0.652 37.396 38.000 0.080 0.000 1.071 434 I HN 0.640 nan 8.210 nan 0.000 0.419 435 S N 0.158 115.967 115.700 0.182 0.000 2.442 435 S HA -0.107 4.362 4.470 -0.001 0.000 0.236 435 S C 1.949 176.615 174.600 0.110 0.000 1.007 435 S CA 0.954 59.238 58.200 0.139 0.000 0.965 435 S CB -0.380 62.876 63.200 0.092 0.000 0.773 435 S HN 0.451 nan 8.310 nan 0.000 0.504 436 L N 0.860 122.146 121.223 0.105 0.000 2.102 436 L HA 0.099 4.438 4.340 -0.001 0.000 0.202 436 L C 1.890 178.782 176.870 0.037 0.000 1.076 436 L CA 0.948 55.823 54.840 0.058 0.000 0.761 436 L CB -0.191 41.896 42.059 0.047 0.000 0.921 436 L HN 0.248 nan 8.230 nan 0.000 0.444 437 L N 0.074 121.340 121.223 0.071 0.000 2.083 437 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 437 L C 2.833 179.564 176.870 -0.232 0.000 1.083 437 L CA 1.119 55.933 54.840 -0.043 0.000 0.752 437 L CB -0.942 41.148 42.059 0.051 0.000 0.899 437 L HN 0.348 nan 8.230 nan 0.000 0.433 438 A N 0.159 122.914 122.820 -0.108 0.000 1.978 438 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 438 A C 2.290 179.810 177.584 -0.107 0.000 1.170 438 A CA 1.596 53.549 52.037 -0.140 0.000 0.636 438 A CB -0.386 18.746 19.000 0.220 0.000 0.810 438 A HN 0.364 nan 8.150 nan 0.000 0.448 439 K N -0.322 120.044 120.400 -0.056 0.000 2.209 439 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 439 K C 2.196 178.752 176.600 -0.073 0.000 1.048 439 K CA 0.984 57.244 56.287 -0.045 0.000 0.940 439 K CB -0.287 32.199 32.500 -0.024 0.000 0.729 439 K HN 0.488 nan 8.250 nan 0.000 0.451 440 A N 1.614 124.368 122.820 -0.111 0.000 1.897 440 A HA -0.018 4.302 4.320 -0.001 0.000 0.215 440 A C 1.205 178.714 177.584 -0.125 0.000 1.181 440 A CA 0.601 52.570 52.037 -0.113 0.000 0.620 440 A CB -0.401 18.521 19.000 -0.130 0.000 0.821 440 A HN 0.104 nan 8.150 nan 0.000 0.443 441 L N -0.400 120.720 121.223 -0.172 0.000 2.479 441 L HA 0.055 4.395 4.340 -0.001 0.000 0.270 441 L C 1.530 178.345 176.870 -0.091 0.000 1.236 441 L CA 0.295 55.044 54.840 -0.152 0.000 0.823 441 L CB 0.410 42.346 42.059 -0.205 0.000 1.098 441 L HN 0.527 nan 8.230 nan 0.000 0.500 442 K N 0.203 120.560 120.400 -0.073 0.000 2.358 442 K HA 0.209 4.529 4.320 -0.001 0.000 0.200 442 K C 0.360 176.942 176.600 -0.030 0.000 1.030 442 K CA 0.040 56.297 56.287 -0.049 0.000 1.097 442 K CB 0.502 32.971 32.500 -0.052 0.000 0.862 442 K HN 0.444 nan 8.250 nan 0.000 0.534 443 R N 1.149 121.635 120.500 -0.024 0.000 2.674 443 R HA 0.195 4.534 4.340 -0.001 0.000 0.270 443 R C -2.491 173.832 176.300 0.038 0.000 1.492 443 R CA -1.471 54.631 56.100 0.004 0.000 1.624 443 R CB 1.241 31.544 30.300 0.005 0.000 1.307 443 R HN 0.018 nan 8.270 nan 0.000 0.683 444 P HA -0.167 nan 4.420 nan 0.000 0.219 444 P C 0.423 177.795 177.300 0.120 0.000 1.146 444 P CA 1.187 64.348 63.100 0.102 0.000 0.808 444 P CB 0.404 32.146 31.700 0.070 0.000 0.779 445 E N -0.600 119.641 120.200 0.068 0.000 2.204 445 E HA -0.150 4.199 4.350 -0.001 0.000 0.195 445 E C 1.298 177.927 176.600 0.048 0.000 0.990 445 E CA 1.023 57.451 56.400 0.047 0.000 0.821 445 E CB -0.989 28.727 29.700 0.027 0.000 0.750 445 E HN 0.361 nan 8.360 nan 0.000 0.477 446 N N -0.290 118.453 118.700 0.072 0.000 2.336 446 N HA 0.032 4.772 4.740 -0.001 0.000 0.189 446 N C -0.588 174.995 175.510 0.121 0.000 1.113 446 N CA 0.057 53.147 53.050 0.068 0.000 0.858 446 N CB 0.240 38.762 38.487 0.059 0.000 0.970 446 N HN 0.108 nan 8.380 nan 0.000 0.471 447 F N 2.352 122.295 119.950 -0.010 0.000 2.420 447 F HA 0.411 4.938 4.527 -0.001 0.000 0.342 447 F C 0.314 176.107 175.800 -0.011 0.000 1.113 447 F CA -0.896 57.101 58.000 -0.005 0.000 1.059 447 F CB 0.786 39.786 39.000 -0.000 0.000 1.128 447 F HN -0.217 nan 8.300 nan 0.000 0.475 448 V N 2.081 121.487 119.914 -0.847 0.000 3.109 448 V HA 0.964 5.084 4.120 -0.001 0.000 0.311 448 V C -0.515 175.065 176.094 -0.857 0.000 1.389 448 V CA -0.669 61.224 62.300 -0.677 0.000 1.034 448 V CB 1.142 32.766 31.823 -0.330 0.000 1.105 448 V HN 0.994 nan 8.190 nan 0.000 0.477 449 G N 0.463 108.975 108.800 -0.479 0.000 2.626 449 G HA2 0.638 4.597 3.960 -0.001 0.000 0.304 449 G HA3 0.638 4.597 3.960 -0.001 0.000 0.304 449 G C -1.064 173.694 174.900 -0.237 0.000 1.385 449 G CA -0.530 44.345 45.100 -0.375 0.000 0.957 449 G HN 0.919 nan 8.290 nan 0.000 0.504 450 M N 3.593 123.131 119.600 -0.104 0.000 2.027 450 M HA 0.335 4.815 4.480 -0.001 0.000 0.329 450 M C -0.970 175.382 176.300 0.088 0.000 0.971 450 M CA -0.652 54.633 55.300 -0.026 0.000 0.933 450 M CB 0.525 33.196 32.600 0.118 0.000 1.392 450 M HN 0.700 nan 8.290 nan 0.000 0.394 451 H N 4.300 123.289 119.070 -0.136 0.000 2.652 451 H HA 0.369 4.925 4.556 -0.001 0.000 0.298 451 H C -1.515 173.780 175.328 -0.054 0.000 1.076 451 H CA -0.507 55.515 56.048 -0.043 0.000 1.360 451 H CB 0.743 30.461 29.762 -0.072 0.000 1.421 451 H HN 0.560 nan 8.280 nan 0.000 0.464 452 F N 3.879 123.925 119.950 0.161 0.000 2.440 452 F HA 0.317 4.844 4.527 -0.001 0.000 0.328 452 F C -0.546 175.216 175.800 -0.063 0.000 1.070 452 F CA -0.635 57.433 58.000 0.113 0.000 1.011 452 F CB 0.965 40.026 39.000 0.103 0.000 1.226 452 F HN 0.421 nan 8.300 nan 0.000 0.491 453 F N 1.097 121.099 119.950 0.088 0.000 2.467 453 F HA 0.273 4.799 4.527 -0.001 0.000 0.336 453 F C 0.296 176.122 175.800 0.043 0.000 1.123 453 F CA -1.271 56.737 58.000 0.015 0.000 0.964 453 F CB 0.942 39.912 39.000 -0.051 0.000 1.136 453 F HN 0.326 nan 8.300 nan 0.000 0.447 454 N N 4.290 123.078 118.700 0.147 0.000 2.452 454 N HA 0.145 4.885 4.740 -0.001 0.000 0.266 454 N C -2.677 172.861 175.510 0.045 0.000 1.209 454 N CA -0.789 52.302 53.050 0.069 0.000 0.929 454 N CB 0.743 39.260 38.487 0.050 0.000 1.063 454 N HN 0.250 nan 8.380 nan 0.000 0.472 455 P HA 0.140 nan 4.420 nan 0.000 0.284 455 P C 1.008 178.205 177.300 -0.172 0.000 1.253 455 P CA -0.623 62.357 63.100 -0.201 0.000 0.800 455 P CB 1.111 32.523 31.700 -0.480 0.000 0.961 456 V N 1.740 121.600 119.914 -0.089 0.000 2.453 456 V HA -0.276 3.843 4.120 -0.001 0.000 0.252 456 V C 1.923 178.075 176.094 0.097 0.000 1.068 456 V CA 2.446 64.785 62.300 0.065 0.000 1.070 456 V CB -1.779 30.065 31.823 0.035 0.000 0.664 456 V HN 0.759 nan 8.190 nan 0.000 0.461 457 H N -2.704 116.457 119.070 0.151 0.000 2.551 457 H HA 0.172 4.728 4.556 -0.001 0.000 0.266 457 H C 1.839 177.235 175.328 0.113 0.000 0.964 457 H CA 0.693 56.844 56.048 0.172 0.000 1.180 457 H CB -0.208 29.691 29.762 0.229 0.000 1.408 457 H HN 0.233 nan 8.280 nan 0.000 0.563 458 M N 0.151 119.717 119.600 -0.056 0.000 2.384 458 M HA 0.191 4.671 4.480 -0.001 0.000 0.258 458 M C 0.461 176.777 176.300 0.027 0.000 1.130 458 M CA 0.453 55.780 55.300 0.044 0.000 1.187 458 M CB -0.126 32.456 32.600 -0.030 0.000 1.307 458 M HN 0.239 nan 8.290 nan 0.000 0.468 459 M N 1.586 121.193 119.600 0.012 0.000 2.238 459 M HA 0.095 4.575 4.480 -0.001 0.000 0.350 459 M C -1.590 174.686 176.300 -0.040 0.000 1.321 459 M CA -1.639 53.659 55.300 -0.003 0.000 1.097 459 M CB -0.577 32.052 32.600 0.049 0.000 1.713 459 M HN -0.113 nan 8.290 nan 0.000 0.455 460 P HA 0.006 nan 4.420 nan 0.000 0.216 460 P C 0.331 177.454 177.300 -0.297 0.000 1.156 460 P CA 0.268 63.214 63.100 -0.256 0.000 0.855 460 P CB 0.147 31.580 31.700 -0.445 0.000 0.786 461 L N 0.388 121.426 121.223 -0.308 0.000 2.485 461 L HA 0.113 4.453 4.340 -0.001 0.000 0.275 461 L C -0.558 176.189 176.870 -0.204 0.000 1.207 461 L CA 0.393 55.068 54.840 -0.275 0.000 0.855 461 L CB 0.171 42.040 42.059 -0.317 0.000 1.114 461 L HN -0.251 nan 8.230 nan 0.000 0.485 462 V N 5.195 124.999 119.914 -0.183 0.000 2.509 462 V HA 0.283 4.403 4.120 -0.001 0.000 0.289 462 V C -0.386 175.627 176.094 -0.135 0.000 1.026 462 V CA -0.815 61.341 62.300 -0.240 0.000 0.872 462 V CB 1.336 32.855 31.823 -0.507 0.000 1.017 462 V HN 0.779 nan 8.190 nan 0.000 0.436 463 E N 2.862 123.063 120.200 0.002 0.000 2.344 463 E HA 0.289 4.639 4.350 -0.001 0.000 0.270 463 E C -0.591 175.948 176.600 -0.101 0.000 1.021 463 E CA -0.287 56.114 56.400 0.002 0.000 0.887 463 E CB 1.964 31.735 29.700 0.119 0.000 0.997 463 E HN 0.443 nan 8.360 nan 0.000 0.429 464 V N 5.490 125.332 119.914 -0.119 0.000 2.217 464 V HA 0.112 4.232 4.120 -0.001 0.000 0.264 464 V C -0.266 175.713 176.094 -0.192 0.000 1.107 464 V CA -0.512 61.694 62.300 -0.157 0.000 0.913 464 V CB -0.502 31.240 31.823 -0.135 0.000 1.153 464 V HN 0.518 nan 8.190 nan 0.000 0.469 465 I N 3.732 124.126 120.570 -0.294 0.000 2.576 465 I HA 0.159 4.328 4.170 -0.001 0.000 0.288 465 I C 0.903 176.875 176.117 -0.242 0.000 1.126 465 I CA 0.580 61.673 61.300 -0.345 0.000 1.362 465 I CB -0.138 37.459 38.000 -0.672 0.000 1.419 465 I HN 0.461 nan 8.210 nan 0.000 0.533 466 R N 5.237 125.646 120.500 -0.152 0.000 2.298 466 R HA 0.533 4.873 4.340 -0.001 0.000 0.310 466 R C 0.490 176.751 176.300 -0.065 0.000 1.068 466 R CA -0.305 55.726 56.100 -0.116 0.000 0.957 466 R CB 0.581 30.834 30.300 -0.078 0.000 1.003 466 R HN 0.786 nan 8.270 nan 0.000 0.454 467 G N 1.804 110.569 108.800 -0.058 0.000 2.588 467 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.281 467 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.281 467 G C 0.387 175.302 174.900 0.026 0.000 1.236 467 G CA -0.319 44.788 45.100 0.012 0.000 0.969 467 G HN 0.888 nan 8.290 nan 0.000 0.504 468 E N -0.903 119.325 120.200 0.046 0.000 2.208 468 E HA -0.016 4.334 4.350 -0.001 0.000 0.193 468 E C 0.833 177.454 176.600 0.034 0.000 0.988 468 E CA 0.683 57.106 56.400 0.038 0.000 0.828 468 E CB 0.106 29.830 29.700 0.041 0.000 0.763 468 E HN 0.161 nan 8.360 nan 0.000 0.478 469 K N 1.137 121.564 120.400 0.045 0.000 2.593 469 K HA 0.284 4.604 4.320 -0.001 0.000 0.208 469 K C -0.579 176.046 176.600 0.041 0.000 1.051 469 K CA -0.119 56.193 56.287 0.043 0.000 1.111 469 K CB 1.300 33.831 32.500 0.051 0.000 0.849 469 K HN -0.048 nan 8.250 nan 0.000 0.479 470 S N 1.630 117.343 115.700 0.022 0.000 2.475 470 S HA 0.175 4.645 4.470 -0.001 0.000 0.281 470 S C 0.400 174.992 174.600 -0.014 0.000 1.198 470 S CA -0.536 57.662 58.200 -0.003 0.000 1.063 470 S CB 1.158 64.330 63.200 -0.047 0.000 0.972 470 S HN 0.342 nan 8.310 nan 0.000 0.486 471 S N 2.295 117.988 115.700 -0.013 0.000 2.603 471 S HA 0.224 4.693 4.470 -0.001 0.000 0.268 471 S C 0.408 174.984 174.600 -0.041 0.000 1.317 471 S CA -0.583 57.608 58.200 -0.016 0.000 1.012 471 S CB 0.548 63.744 63.200 -0.007 0.000 0.926 471 S HN 0.561 nan 8.310 nan 0.000 0.539 472 D N 0.562 120.943 120.400 -0.032 0.000 2.144 472 D HA -0.081 4.559 4.640 -0.001 0.000 0.199 472 D C 1.723 177.975 176.300 -0.080 0.000 0.984 472 D CA 0.918 54.886 54.000 -0.054 0.000 0.834 472 D CB -0.355 40.447 40.800 0.003 0.000 0.955 472 D HN 0.579 nan 8.370 nan 0.000 0.465 473 L N 0.265 121.463 121.223 -0.042 0.000 2.079 473 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 473 L C 2.136 178.969 176.870 -0.062 0.000 1.081 473 L CA 1.408 56.225 54.840 -0.038 0.000 0.752 473 L CB -0.139 41.910 42.059 -0.016 0.000 0.896 473 L HN -0.025 nan 8.230 nan 0.000 0.433 474 A N -0.738 122.043 122.820 -0.064 0.000 1.858 474 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 474 A C 2.161 179.674 177.584 -0.118 0.000 1.190 474 A CA 1.993 53.987 52.037 -0.072 0.000 0.617 474 A CB -0.978 17.986 19.000 -0.060 0.000 0.827 474 A HN 0.302 nan 8.150 nan 0.000 0.443 475 V N -0.043 119.770 119.914 -0.168 0.000 2.358 475 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 475 V C 3.051 178.956 176.094 -0.315 0.000 1.047 475 V CA 1.857 64.006 62.300 -0.252 0.000 1.035 475 V CB -1.408 30.220 31.823 -0.324 0.000 0.658 475 V HN 0.619 nan 8.190 nan 0.000 0.452 476 A N 0.151 122.776 122.820 -0.324 0.000 1.883 476 A HA -0.265 4.055 4.320 -0.001 0.000 0.217 476 A C 2.417 179.942 177.584 -0.098 0.000 1.186 476 A CA 2.751 54.635 52.037 -0.255 0.000 0.624 476 A CB -1.136 17.801 19.000 -0.106 0.000 0.822 476 A HN 0.506 nan 8.150 nan 0.000 0.444 477 T N -0.178 114.336 114.554 -0.066 0.000 2.746 477 T HA -0.123 4.227 4.350 -0.001 0.000 0.267 477 T C 2.016 176.728 174.700 0.019 0.000 1.039 477 T CA 1.960 64.049 62.100 -0.018 0.000 1.142 477 T CB -0.615 68.233 68.868 -0.033 0.000 0.866 477 T HN 0.595 nan 8.240 nan 0.000 0.444 478 T N 1.964 116.509 114.554 -0.015 0.000 2.708 478 T HA -0.077 4.272 4.350 -0.001 0.000 0.266 478 T C 2.214 176.938 174.700 0.040 0.000 1.037 478 T CA 0.980 63.103 62.100 0.038 0.000 1.146 478 T CB -0.630 68.217 68.868 -0.035 0.000 0.865 478 T HN 0.148 nan 8.240 nan 0.000 0.435 479 V N 1.860 121.750 119.914 -0.040 0.000 2.287 479 V HA -0.217 3.903 4.120 -0.001 0.000 0.248 479 V C 2.928 179.039 176.094 0.027 0.000 1.053 479 V CA 1.855 64.139 62.300 -0.026 0.000 1.027 479 V CB -1.289 30.511 31.823 -0.039 0.000 0.646 479 V HN 0.554 nan 8.190 nan 0.000 0.447 480 A N -0.959 121.893 122.820 0.054 0.000 1.877 480 A HA -0.282 4.037 4.320 -0.001 0.000 0.216 480 A C 2.191 179.837 177.584 0.104 0.000 1.186 480 A CA 2.107 54.188 52.037 0.075 0.000 0.620 480 A CB -0.856 18.191 19.000 0.079 0.000 0.822 480 A HN 0.628 nan 8.150 nan 0.000 0.443 481 Y N 0.806 121.105 120.300 -0.003 0.000 2.256 481 Y HA -0.104 4.446 4.550 -0.001 0.000 0.288 481 Y C 2.530 178.444 175.900 0.023 0.000 1.155 481 Y CA 0.812 58.920 58.100 0.014 0.000 1.203 481 Y CB -0.535 37.940 38.460 0.025 0.000 0.980 481 Y HN 0.315 nan 8.280 nan 0.000 0.530 482 A N 0.106 122.890 122.820 -0.060 0.000 1.872 482 A HA -0.121 4.199 4.320 -0.001 0.000 0.214 482 A C 2.259 179.759 177.584 -0.140 0.000 1.187 482 A CA 1.552 53.494 52.037 -0.159 0.000 0.614 482 A CB -0.438 18.476 19.000 -0.143 0.000 0.826 482 A HN 0.446 nan 8.150 nan 0.000 0.442 483 K N -0.197 120.155 120.400 -0.080 0.000 2.097 483 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 483 K C 2.138 178.695 176.600 -0.072 0.000 1.049 483 K CA 1.586 57.833 56.287 -0.067 0.000 0.933 483 K CB -0.144 32.341 32.500 -0.026 0.000 0.717 483 K HN 0.474 nan 8.250 nan 0.000 0.442 484 K N 0.913 121.274 120.400 -0.065 0.000 2.147 484 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 484 K C 1.484 178.019 176.600 -0.108 0.000 1.049 484 K CA 1.022 57.273 56.287 -0.059 0.000 0.936 484 K CB 0.108 32.602 32.500 -0.009 0.000 0.722 484 K HN 0.081 nan 8.250 nan 0.000 0.446 485 M N 0.460 119.954 119.600 -0.177 0.000 2.654 485 M HA 0.096 4.575 4.480 -0.001 0.000 0.217 485 M C 0.408 176.641 176.300 -0.112 0.000 1.183 485 M CA 0.495 55.692 55.300 -0.173 0.000 0.991 485 M CB 0.419 32.880 32.600 -0.231 0.000 1.749 485 M HN 0.388 nan 8.290 nan 0.000 0.475 486 G N 1.498 110.238 108.800 -0.100 0.000 2.295 486 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.287 486 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.287 486 G C -0.002 174.834 174.900 -0.108 0.000 1.055 486 G CA 0.245 45.291 45.100 -0.090 0.000 0.922 486 G HN 0.364 nan 8.290 nan 0.000 0.503 487 K N -0.581 119.743 120.400 -0.127 0.000 2.312 487 K HA 0.528 4.848 4.320 -0.001 0.000 0.236 487 K C -0.020 176.459 176.600 -0.203 0.000 1.079 487 K CA -1.046 55.140 56.287 -0.169 0.000 0.900 487 K CB 0.749 33.154 32.500 -0.158 0.000 1.297 487 K HN 0.110 nan 8.250 nan 0.000 0.498 488 N N 2.329 120.869 118.700 -0.267 0.000 2.746 488 N HA 0.252 4.992 4.740 -0.001 0.000 0.250 488 N C -2.623 172.800 175.510 -0.146 0.000 1.146 488 N CA -1.055 51.851 53.050 -0.239 0.000 0.828 488 N CB 1.595 39.786 38.487 -0.494 0.000 1.158 488 N HN 0.264 nan 8.380 nan 0.000 0.519 489 P HA 0.388 nan 4.420 nan 0.000 0.277 489 P C -0.353 176.942 177.300 -0.010 0.000 1.240 489 P CA -0.230 62.826 63.100 -0.073 0.000 0.798 489 P CB 1.663 33.320 31.700 -0.072 0.000 0.979 490 I N 1.265 121.830 120.570 -0.009 0.000 2.571 490 I HA 0.177 4.347 4.170 -0.001 0.000 0.289 490 I C -0.212 175.912 176.117 0.011 0.000 1.115 490 I CA -1.322 59.992 61.300 0.024 0.000 1.045 490 I CB 2.579 40.594 38.000 0.024 0.000 1.238 490 I HN -0.008 nan 8.210 nan 0.000 0.424 491 V N 6.785 126.725 119.914 0.043 0.000 2.470 491 V HA 0.256 4.375 4.120 -0.001 0.000 0.276 491 V C 0.041 176.141 176.094 0.010 0.000 1.040 491 V CA -0.178 62.131 62.300 0.015 0.000 1.008 491 V CB 1.129 32.992 31.823 0.067 0.000 0.990 491 V HN 0.408 nan 8.190 nan 0.000 0.477 492 V N 4.875 124.776 119.914 -0.022 0.000 2.709 492 V HA 0.440 4.559 4.120 -0.001 0.000 0.308 492 V C -0.099 175.988 176.094 -0.012 0.000 1.062 492 V CA -1.088 61.212 62.300 0.001 0.000 0.901 492 V CB 2.210 34.043 31.823 0.017 0.000 1.003 492 V HN 0.810 nan 8.190 nan 0.000 0.425 493 N N 1.859 120.579 118.700 0.033 0.000 2.525 493 N HA 0.140 4.880 4.740 -0.001 0.000 0.271 493 N C -0.393 175.173 175.510 0.094 0.000 1.194 493 N CA -0.260 52.816 53.050 0.043 0.000 0.964 493 N CB 0.995 39.517 38.487 0.057 0.000 1.126 493 N HN 0.873 nan 8.380 nan 0.000 0.452 494 D N 0.336 120.792 120.400 0.093 0.000 2.487 494 D HA 0.135 4.774 4.640 -0.001 0.000 0.243 494 D C -0.372 176.065 176.300 0.228 0.000 1.154 494 D CA 0.205 54.318 54.000 0.189 0.000 0.876 494 D CB 0.195 41.080 40.800 0.142 0.000 1.161 494 D HN 0.563 nan 8.370 nan 0.000 0.478 495 C N 2.468 121.968 119.300 0.334 0.000 3.292 495 C HA 0.497 4.956 4.460 -0.001 0.000 0.368 495 C C -2.950 172.114 174.990 0.124 0.000 1.141 495 C CA -1.757 57.395 59.018 0.223 0.000 1.194 495 C CB 0.933 28.832 27.740 0.265 0.000 1.533 495 C HN 0.439 nan 8.230 nan 0.000 0.532 496 P HA 0.332 nan 4.420 nan 0.000 0.257 496 P C 1.099 178.382 177.300 -0.029 0.000 1.189 496 P CA 2.753 65.800 63.100 -0.088 0.000 0.780 496 P CB 0.036 31.659 31.700 -0.128 0.000 0.772 497 G N 2.552 111.147 108.800 -0.341 0.000 2.195 497 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.246 497 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.246 497 G C 0.563 175.432 174.900 -0.052 0.000 0.984 497 G CA -0.091 44.887 45.100 -0.203 0.000 0.633 497 G HN 0.492 nan 8.290 nan 0.000 0.525 498 F N -2.424 117.610 119.950 0.140 0.000 2.216 498 F HA -0.356 4.171 4.527 -0.001 0.000 0.313 498 F C 1.856 177.739 175.800 0.138 0.000 1.030 498 F CA 1.143 59.225 58.000 0.137 0.000 0.956 498 F CB -1.482 37.615 39.000 0.162 0.000 4.025 498 F HN 0.316 nan 8.300 nan 0.000 0.164 499 L N -0.068 121.392 121.223 0.396 0.000 2.416 499 L HA 0.094 4.434 4.340 -0.001 0.000 0.188 499 L C 2.046 179.046 176.870 0.218 0.000 1.145 499 L CA 1.602 56.579 54.840 0.229 0.000 0.826 499 L CB -0.940 41.216 42.059 0.161 0.000 1.064 499 L HN 0.460 nan 8.230 nan 0.000 0.490 500 V N 1.726 121.805 119.914 0.276 0.000 2.215 500 V HA -0.359 3.760 4.120 -0.001 0.000 0.246 500 V C 2.377 178.645 176.094 0.290 0.000 1.047 500 V CA 2.517 64.977 62.300 0.268 0.000 0.999 500 V CB -1.164 30.880 31.823 0.367 0.000 0.635 500 V HN 0.495 nan 8.190 nan 0.000 0.450 501 N N -0.151 118.770 118.700 0.369 0.000 2.094 501 N HA -0.216 4.524 4.740 -0.001 0.000 0.191 501 N C 1.904 177.585 175.510 0.285 0.000 1.023 501 N CA 1.671 54.929 53.050 0.347 0.000 0.857 501 N CB -0.474 38.190 38.487 0.296 0.000 1.013 501 N HN 0.412 nan 8.380 nan 0.000 0.426 502 R N 0.437 121.059 120.500 0.202 0.000 2.159 502 R HA -0.059 4.280 4.340 -0.001 0.000 0.237 502 R C 0.950 177.320 176.300 0.116 0.000 1.131 502 R CA 1.044 57.224 56.100 0.133 0.000 0.982 502 R CB 0.038 30.396 30.300 0.097 0.000 0.868 502 R HN 0.117 nan 8.270 nan 0.000 0.453 503 V N 0.566 120.561 119.914 0.135 0.000 3.307 503 V HA -0.070 4.050 4.120 -0.001 0.000 0.253 503 V C 2.003 178.176 176.094 0.133 0.000 1.149 503 V CA 0.583 62.944 62.300 0.102 0.000 1.112 503 V CB 0.118 31.983 31.823 0.071 0.000 0.777 503 V HN 0.312 nan 8.190 nan 0.000 0.464 504 L N -1.079 120.252 121.223 0.180 0.000 2.141 504 L HA -0.067 4.273 4.340 -0.001 0.000 0.209 504 L C 2.177 179.130 176.870 0.138 0.000 1.094 504 L CA 1.821 56.731 54.840 0.118 0.000 0.763 504 L CB -0.165 42.001 42.059 0.179 0.000 0.908 504 L HN 0.227 nan 8.230 nan 0.000 0.437 505 F N 0.118 120.186 119.950 0.197 0.000 2.234 505 F HA 0.054 4.581 4.527 -0.001 0.000 0.296 505 F C -0.532 175.393 175.800 0.208 0.000 1.089 505 F CA 0.613 58.777 58.000 0.274 0.000 1.343 505 F CB -1.441 37.684 39.000 0.208 0.000 1.040 505 F HN 0.118 nan 8.300 nan 0.000 0.498 506 P HA -0.227 nan 4.420 nan 0.000 0.218 506 P C 1.343 178.718 177.300 0.126 0.000 1.148 506 P CA 1.338 64.533 63.100 0.159 0.000 0.822 506 P CB -0.244 31.503 31.700 0.078 0.000 0.784 507 Y N -0.658 119.614 120.300 -0.047 0.000 2.181 507 Y HA -0.169 4.380 4.550 -0.001 0.000 0.288 507 Y C 1.941 177.762 175.900 -0.132 0.000 1.146 507 Y CA 1.474 59.470 58.100 -0.173 0.000 1.164 507 Y CB -1.143 37.094 38.460 -0.371 0.000 0.982 507 Y HN -0.118 nan 8.280 nan 0.000 0.515 508 F N -0.289 119.574 119.950 -0.145 0.000 2.407 508 F HA -0.027 4.499 4.527 -0.001 0.000 0.299 508 F C 2.474 178.280 175.800 0.010 0.000 1.097 508 F CA 0.494 58.380 58.000 -0.192 0.000 1.422 508 F CB -0.392 38.415 39.000 -0.321 0.000 1.067 508 F HN 0.183 nan 8.300 nan 0.000 0.539 509 G N -0.180 108.760 108.800 0.234 0.000 2.408 509 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.217 509 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.217 509 G C 1.937 176.973 174.900 0.227 0.000 1.150 509 G CA 0.784 46.018 45.100 0.223 0.000 0.776 509 G HN 0.456 nan 8.290 nan 0.000 0.542 510 G N 0.222 109.131 108.800 0.183 0.000 2.422 510 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.218 510 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.218 510 G C 1.547 176.614 174.900 0.279 0.000 1.140 510 G CA 0.835 46.114 45.100 0.298 0.000 0.775 510 G HN 0.348 nan 8.290 nan 0.000 0.545 511 F N 2.489 122.431 119.950 -0.013 0.000 2.084 511 F HA 0.168 4.695 4.527 -0.001 0.000 0.296 511 F C 2.728 178.558 175.800 0.051 0.000 1.111 511 F CA 1.069 59.044 58.000 -0.042 0.000 1.224 511 F CB -0.570 38.382 39.000 -0.080 0.000 0.991 511 F HN 0.207 nan 8.300 nan 0.000 0.471 512 A N 0.583 123.385 122.820 -0.031 0.000 1.948 512 A HA -0.259 4.060 4.320 -0.001 0.000 0.220 512 A C 2.272 179.834 177.584 -0.037 0.000 1.177 512 A CA 2.145 54.125 52.037 -0.095 0.000 0.636 512 A CB -0.792 18.264 19.000 0.093 0.000 0.815 512 A HN 0.518 nan 8.150 nan 0.000 0.449 513 K N -0.601 119.868 120.400 0.117 0.000 2.097 513 K HA 0.013 4.333 4.320 -0.001 0.000 0.205 513 K C 1.892 178.543 176.600 0.084 0.000 1.050 513 K CA 1.169 57.596 56.287 0.234 0.000 0.938 513 K CB -0.342 32.460 32.500 0.504 0.000 0.718 513 K HN 0.469 nan 8.250 nan 0.000 0.442 514 L N 0.702 121.877 121.223 -0.080 0.000 1.994 514 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 514 L C 2.344 179.056 176.870 -0.264 0.000 1.071 514 L CA 1.107 55.757 54.840 -0.317 0.000 0.745 514 L CB -0.521 41.364 42.059 -0.289 0.000 0.892 514 L HN -0.008 nan 8.230 nan 0.000 0.431 515 V N -1.095 118.629 119.914 -0.316 0.000 2.392 515 V HA -0.276 3.843 4.120 -0.001 0.000 0.249 515 V C 2.434 178.441 176.094 -0.145 0.000 1.059 515 V CA 2.027 64.188 62.300 -0.231 0.000 1.051 515 V CB -0.544 31.101 31.823 -0.297 0.000 0.658 515 V HN 0.382 nan 8.190 nan 0.000 0.455 516 S N 0.081 115.718 115.700 -0.105 0.000 2.481 516 S HA 0.069 4.539 4.470 -0.001 0.000 0.231 516 S C 1.690 176.272 174.600 -0.030 0.000 0.996 516 S CA 0.929 59.090 58.200 -0.064 0.000 0.942 516 S CB -0.186 63.087 63.200 0.122 0.000 0.768 516 S HN 0.637 nan 8.310 nan 0.000 0.520 517 A N 0.458 123.245 122.820 -0.055 0.000 2.532 517 A HA 0.570 4.890 4.320 -0.001 0.000 0.273 517 A C 1.424 178.946 177.584 -0.104 0.000 1.342 517 A CA 0.267 52.269 52.037 -0.058 0.000 0.929 517 A CB -0.908 18.018 19.000 -0.124 0.000 1.051 517 A HN 0.645 nan 8.150 nan 0.000 0.521 518 G N -1.032 107.704 108.800 -0.107 0.000 2.168 518 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.257 518 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.257 518 G C 0.222 175.048 174.900 -0.124 0.000 0.997 518 G CA 0.384 45.421 45.100 -0.105 0.000 0.708 518 G HN 0.847 nan 8.290 nan 0.000 0.520 519 V N 0.918 120.740 119.914 -0.154 0.000 2.488 519 V HA 0.335 4.454 4.120 -0.001 0.000 0.277 519 V C 0.633 176.646 176.094 -0.135 0.000 1.046 519 V CA -0.645 61.556 62.300 -0.164 0.000 0.986 519 V CB 1.616 33.303 31.823 -0.227 0.000 0.989 519 V HN 0.342 nan 8.190 nan 0.000 0.475 520 D N 3.862 124.168 120.400 -0.156 0.000 2.382 520 D HA 0.041 4.680 4.640 -0.001 0.000 0.259 520 D C 0.967 177.158 176.300 -0.183 0.000 1.224 520 D CA -0.312 53.537 54.000 -0.253 0.000 0.894 520 D CB 0.692 41.330 40.800 -0.270 0.000 1.127 520 D HN 0.444 nan 8.370 nan 0.000 0.487 521 F N 2.717 122.680 119.950 0.022 0.000 2.269 521 F HA -0.137 4.390 4.527 -0.001 0.000 0.301 521 F C 1.715 177.570 175.800 0.092 0.000 1.082 521 F CA 0.260 58.339 58.000 0.132 0.000 1.360 521 F CB -1.125 38.002 39.000 0.212 0.000 1.041 521 F HN 0.200 nan 8.300 nan 0.000 0.512 522 V N 1.087 120.888 119.914 -0.188 0.000 2.343 522 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 522 V C 2.783 178.904 176.094 0.044 0.000 1.051 522 V CA 2.285 64.596 62.300 0.018 0.000 1.036 522 V CB -0.915 30.806 31.823 -0.169 0.000 0.654 522 V HN 0.420 nan 8.190 nan 0.000 0.451 523 R N -0.082 120.398 120.500 -0.035 0.000 2.092 523 R HA -0.071 4.269 4.340 -0.001 0.000 0.231 523 R C 2.229 178.546 176.300 0.029 0.000 1.119 523 R CA 1.338 57.431 56.100 -0.011 0.000 0.970 523 R CB -0.259 30.011 30.300 -0.051 0.000 0.864 523 R HN 0.478 nan 8.270 nan 0.000 0.440 524 I N 1.627 122.233 120.570 0.061 0.000 2.076 524 I HA -0.319 3.851 4.170 -0.001 0.000 0.237 524 I C 1.647 177.803 176.117 0.066 0.000 1.059 524 I CA 2.013 63.362 61.300 0.081 0.000 1.317 524 I CB -0.573 37.548 38.000 0.202 0.000 1.037 524 I HN 0.312 nan 8.210 nan 0.000 0.398 525 D N 0.780 121.237 120.400 0.094 0.000 2.219 525 D HA -0.169 4.471 4.640 -0.001 0.000 0.205 525 D C 1.872 178.222 176.300 0.084 0.000 0.970 525 D CA 0.935 54.974 54.000 0.065 0.000 0.851 525 D CB -0.399 40.460 40.800 0.098 0.000 0.943 525 D HN 0.289 nan 8.370 nan 0.000 0.488 526 K N 0.243 120.694 120.400 0.086 0.000 2.211 526 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 526 K C 1.866 178.512 176.600 0.077 0.000 1.050 526 K CA 0.570 56.900 56.287 0.072 0.000 0.945 526 K CB 0.117 32.651 32.500 0.057 0.000 0.732 526 K HN 0.110 nan 8.250 nan 0.000 0.451 527 V N 1.002 120.960 119.914 0.074 0.000 2.488 527 V HA -0.162 3.958 4.120 -0.001 0.000 0.246 527 V C 2.090 178.265 176.094 0.134 0.000 1.046 527 V CA 1.161 63.513 62.300 0.086 0.000 1.053 527 V CB -0.198 31.658 31.823 0.054 0.000 0.679 527 V HN 0.298 nan 8.190 nan 0.000 0.458 528 M N -0.474 119.195 119.600 0.115 0.000 2.319 528 M HA -0.057 4.423 4.480 -0.001 0.000 0.265 528 M C 1.970 178.458 176.300 0.315 0.000 1.068 528 M CA 1.252 56.666 55.300 0.190 0.000 1.118 528 M CB -1.089 31.529 32.600 0.031 0.000 1.395 528 M HN 0.381 nan 8.290 nan 0.000 0.435 529 E N -0.095 120.223 120.200 0.198 0.000 2.299 529 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 529 E C 1.893 178.569 176.600 0.127 0.000 0.998 529 E CA 0.535 57.036 56.400 0.168 0.000 0.851 529 E CB 0.147 29.912 29.700 0.109 0.000 0.795 529 E HN 0.373 nan 8.360 nan 0.000 0.492 530 K N -0.299 120.184 120.400 0.138 0.000 2.418 530 K HA -0.049 4.271 4.320 -0.001 0.000 0.195 530 K C 1.411 178.090 176.600 0.131 0.000 1.035 530 K CA 0.255 56.602 56.287 0.101 0.000 1.003 530 K CB 0.127 32.686 32.500 0.098 0.000 0.793 530 K HN 0.045 nan 8.250 nan 0.000 0.494 531 F N -0.352 119.616 119.950 0.030 0.000 2.270 531 F HA 0.148 4.674 4.527 -0.000 0.000 0.295 531 F C 1.330 177.068 175.800 -0.103 0.000 1.087 531 F CA 1.646 59.645 58.000 -0.000 0.000 1.365 531 F CB 0.688 39.739 39.000 0.085 0.000 1.056 531 F HN 0.140 nan 8.300 nan 0.000 0.506 532 G N -2.026 106.740 108.800 -0.056 0.000 2.902 532 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.215 532 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.215 532 G C -0.493 174.261 174.900 -0.244 0.000 0.976 532 G CA -0.540 44.395 45.100 -0.275 0.000 0.794 532 G HN 0.126 nan 8.290 nan 0.000 0.557 533 W N 1.382 122.639 121.300 -0.071 0.000 2.210 533 W HA 0.491 5.151 4.660 -0.001 0.000 0.330 533 W C -0.920 175.578 176.519 -0.034 0.000 1.334 533 W CA -0.925 56.370 57.345 -0.083 0.000 1.227 533 W CB 0.735 30.160 29.460 -0.058 0.000 1.178 533 W HN -0.024 nan 8.180 nan 0.000 0.560 534 P HA -0.169 nan 4.420 nan 0.000 0.213 534 P C 0.241 177.663 177.300 0.203 0.000 1.170 534 P CA 1.765 64.959 63.100 0.157 0.000 0.898 534 P CB 0.185 31.965 31.700 0.133 0.000 0.787 535 M N -1.547 118.196 119.600 0.239 0.000 2.664 535 M HA 0.459 4.939 4.480 -0.001 0.000 0.314 535 M C 0.530 176.949 176.300 0.199 0.000 1.200 535 M CA -0.867 54.596 55.300 0.272 0.000 0.916 535 M CB 2.139 34.886 32.600 0.245 0.000 1.717 535 M HN -0.159 nan 8.290 nan 0.000 0.470 536 G N 0.952 109.870 108.800 0.198 0.000 2.537 536 G HA2 0.368 4.327 3.960 -0.001 0.000 0.273 536 G HA3 0.368 4.327 3.960 -0.001 0.000 0.273 536 G C -2.458 172.397 174.900 -0.074 0.000 1.189 536 G CA -1.279 43.854 45.100 0.055 0.000 0.881 536 G HN 0.396 nan 8.290 nan 0.000 0.535 537 P HA -0.175 nan 4.420 nan 0.000 0.213 537 P C 2.216 179.146 177.300 -0.616 0.000 1.170 537 P CA 2.477 65.253 63.100 -0.540 0.000 0.902 537 P CB 0.169 31.217 31.700 -1.086 0.000 0.789 538 A N -1.500 120.781 122.820 -0.898 0.000 1.877 538 A HA -0.253 4.066 4.320 -0.001 0.000 0.216 538 A C 2.352 179.865 177.584 -0.118 0.000 1.186 538 A CA 1.732 53.249 52.037 -0.868 0.000 0.620 538 A CB -2.042 16.579 19.000 -0.633 0.000 0.822 538 A HN 0.160 nan 8.150 nan 0.000 0.443 539 Y N 0.112 120.395 120.300 -0.027 0.000 2.181 539 Y HA -0.140 4.409 4.550 -0.001 0.000 0.288 539 Y C 2.006 177.910 175.900 0.006 0.000 1.146 539 Y CA 1.488 59.573 58.100 -0.024 0.000 1.164 539 Y CB -0.415 37.959 38.460 -0.144 0.000 0.982 539 Y HN 0.253 nan 8.280 nan 0.000 0.515 540 L N -0.894 120.291 121.223 -0.064 0.000 2.017 540 L HA -0.263 4.077 4.340 -0.001 0.000 0.208 540 L C 2.419 179.265 176.870 -0.039 0.000 1.073 540 L CA 1.420 56.213 54.840 -0.077 0.000 0.745 540 L CB -0.371 41.746 42.059 0.097 0.000 0.894 540 L HN 0.265 nan 8.230 nan 0.000 0.432 541 M N -0.453 119.118 119.600 -0.048 0.000 2.144 541 M HA -0.267 4.213 4.480 -0.001 0.000 0.260 541 M C 1.823 178.135 176.300 0.019 0.000 1.067 541 M CA 1.746 56.962 55.300 -0.140 0.000 1.095 541 M CB -1.071 31.415 32.600 -0.190 0.000 1.365 541 M HN 0.335 nan 8.290 nan 0.000 0.406 542 D N -0.464 119.991 120.400 0.090 0.000 2.117 542 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 542 D C 2.118 178.348 176.300 -0.118 0.000 0.982 542 D CA 1.076 55.129 54.000 0.088 0.000 0.828 542 D CB -0.131 40.832 40.800 0.272 0.000 0.967 542 D HN 0.216 nan 8.370 nan 0.000 0.464 543 V N 1.206 120.981 119.914 -0.232 0.000 2.295 543 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 543 V C 2.740 178.766 176.094 -0.114 0.000 1.049 543 V CA 1.072 63.218 62.300 -0.256 0.000 1.024 543 V CB -0.560 31.065 31.823 -0.331 0.000 0.648 543 V HN 0.037 nan 8.190 nan 0.000 0.447 544 V N -0.148 119.734 119.914 -0.053 0.000 2.427 544 V HA 0.206 4.326 4.120 -0.001 0.000 0.248 544 V C 1.133 177.240 176.094 0.021 0.000 1.051 544 V CA 1.313 63.623 62.300 0.017 0.000 1.048 544 V CB -1.133 30.731 31.823 0.068 0.000 0.666 544 V HN 0.850 nan 8.190 nan 0.000 0.456 545 G N -0.648 108.157 108.800 0.008 0.000 3.367 545 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.686 545 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.686 545 G C -0.215 174.713 174.900 0.047 0.000 1.146 545 G CA -0.376 44.740 45.100 0.026 0.000 0.913 545 G HN 0.004 nan 8.290 nan 0.000 0.554 546 I N 1.684 122.289 120.570 0.058 0.000 2.335 546 I HA -0.078 4.092 4.170 -0.001 0.000 0.251 546 I C 2.511 178.649 176.117 0.035 0.000 1.129 546 I CA 2.425 63.765 61.300 0.066 0.000 1.402 546 I CB -0.341 37.701 38.000 0.070 0.000 1.069 546 I HN 0.792 nan 8.210 nan 0.000 0.424 547 D N -1.307 119.110 120.400 0.028 0.000 2.144 547 D HA -0.145 4.495 4.640 -0.001 0.000 0.200 547 D C 1.892 178.168 176.300 -0.039 0.000 0.978 547 D CA 1.592 55.540 54.000 -0.087 0.000 0.833 547 D CB -0.833 40.002 40.800 0.057 0.000 0.961 547 D HN 0.209 nan 8.370 nan 0.000 0.470 548 T N -0.230 114.353 114.554 0.047 0.000 2.698 548 T HA 0.012 4.362 4.350 -0.001 0.000 0.260 548 T C 2.182 176.983 174.700 0.168 0.000 1.044 548 T CA 1.392 63.556 62.100 0.106 0.000 1.149 548 T CB -0.991 67.942 68.868 0.109 0.000 0.864 548 T HN 0.401 nan 8.240 nan 0.000 0.419 549 G N 1.118 110.031 108.800 0.188 0.000 2.450 549 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.220 549 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.220 549 G C 1.435 176.479 174.900 0.241 0.000 1.130 549 G CA 0.914 46.222 45.100 0.346 0.000 0.760 549 G HN 0.538 nan 8.290 nan 0.000 0.557 550 H N 0.076 119.141 119.070 -0.009 0.000 2.357 550 H HA -0.129 4.427 4.556 -0.001 0.000 0.301 550 H C 2.293 177.560 175.328 -0.102 0.000 1.082 550 H CA 1.927 57.902 56.048 -0.122 0.000 1.342 550 H CB -0.192 29.302 29.762 -0.448 0.000 1.389 550 H HN 0.528 nan 8.280 nan 0.000 0.511 551 H N -0.200 118.878 119.070 0.013 0.000 2.326 551 H HA -0.005 4.550 4.556 -0.001 0.000 0.301 551 H C 2.401 177.652 175.328 -0.128 0.000 1.081 551 H CA 1.944 57.977 56.048 -0.027 0.000 1.334 551 H CB -0.659 29.087 29.762 -0.026 0.000 1.385 551 H HN 0.410 nan 8.280 nan 0.000 0.504 552 G N 0.439 109.062 108.800 -0.295 0.000 2.450 552 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.220 552 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.220 552 G C 1.859 176.305 174.900 -0.756 0.000 1.130 552 G CA 0.653 45.402 45.100 -0.584 0.000 0.760 552 G HN 0.426 nan 8.290 nan 0.000 0.557 553 R N 0.399 120.553 120.500 -0.576 0.000 2.083 553 R HA -0.114 4.226 4.340 -0.001 0.000 0.237 553 R C 2.076 178.201 176.300 -0.291 0.000 1.137 553 R CA 1.980 57.853 56.100 -0.379 0.000 0.951 553 R CB -0.305 29.896 30.300 -0.165 0.000 0.851 553 R HN 0.288 nan 8.270 nan 0.000 0.434 554 D N -0.473 119.752 120.400 -0.293 0.000 2.144 554 D HA -0.117 4.523 4.640 -0.001 0.000 0.200 554 D C 1.841 177.999 176.300 -0.237 0.000 0.978 554 D CA 1.055 54.926 54.000 -0.215 0.000 0.833 554 D CB 0.079 40.783 40.800 -0.161 0.000 0.961 554 D HN 0.061 nan 8.370 nan 0.000 0.470 555 V N 0.587 120.283 119.914 -0.364 0.000 2.407 555 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 555 V C 2.110 178.075 176.094 -0.214 0.000 1.055 555 V CA 1.182 63.291 62.300 -0.319 0.000 1.049 555 V CB -0.288 31.287 31.823 -0.413 0.000 0.662 555 V HN 0.262 nan 8.190 nan 0.000 0.455 556 M N -0.300 119.173 119.600 -0.212 0.000 2.334 556 M HA 0.114 4.594 4.480 -0.001 0.000 0.266 556 M C 2.391 178.705 176.300 0.023 0.000 1.082 556 M CA 1.622 56.888 55.300 -0.056 0.000 1.141 556 M CB -1.456 31.096 32.600 -0.079 0.000 1.380 556 M HN 0.365 nan 8.290 nan 0.000 0.440 557 A N 0.636 123.432 122.820 -0.041 0.000 1.877 557 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 557 A C 2.106 179.680 177.584 -0.016 0.000 1.186 557 A CA 1.705 53.740 52.037 -0.004 0.000 0.620 557 A CB -0.678 18.303 19.000 -0.032 0.000 0.822 557 A HN 0.564 nan 8.150 nan 0.000 0.443 558 E N -0.683 119.479 120.200 -0.063 0.000 2.150 558 E HA -0.073 4.277 4.350 -0.001 0.000 0.193 558 E C 2.111 178.632 176.600 -0.132 0.000 0.985 558 E CA 0.592 56.942 56.400 -0.082 0.000 0.814 558 E CB -0.308 29.336 29.700 -0.093 0.000 0.752 558 E HN 0.618 nan 8.360 nan 0.000 0.466 559 G N 1.037 109.738 108.800 -0.165 0.000 2.453 559 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.215 559 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.215 559 G C 0.422 174.942 174.900 -0.633 0.000 1.201 559 G CA 0.408 45.261 45.100 -0.412 0.000 0.784 559 G HN 0.119 nan 8.290 nan 0.000 0.545 560 F N 0.768 120.705 119.950 -0.022 0.000 2.550 560 F HA 0.406 4.933 4.527 -0.001 0.000 0.348 560 F C -1.866 173.934 175.800 0.002 0.000 1.219 560 F CA -2.266 55.732 58.000 -0.003 0.000 1.203 560 F CB 2.090 41.095 39.000 0.009 0.000 1.436 560 F HN -0.019 nan 8.300 nan 0.000 0.541 561 P HA -0.206 nan 4.420 nan 0.000 0.218 561 P C 1.507 178.856 177.300 0.082 0.000 1.148 561 P CA 1.594 64.734 63.100 0.066 0.000 0.822 561 P CB 0.160 31.874 31.700 0.022 0.000 0.784 562 D N 0.220 120.678 120.400 0.097 0.000 2.271 562 D HA -0.208 4.432 4.640 -0.001 0.000 0.207 562 D C 1.404 177.759 176.300 0.091 0.000 0.983 562 D CA 1.299 55.350 54.000 0.085 0.000 0.878 562 D CB -0.221 40.633 40.800 0.090 0.000 0.920 562 D HN 0.373 nan 8.370 nan 0.000 0.479 563 R N -1.773 118.796 120.500 0.114 0.000 2.636 563 R HA 0.300 4.640 4.340 -0.001 0.000 0.259 563 R C 1.528 177.891 176.300 0.105 0.000 0.970 563 R CA -0.276 55.886 56.100 0.103 0.000 1.107 563 R CB -0.122 30.231 30.300 0.087 0.000 1.687 563 R HN 0.006 nan 8.270 nan 0.000 0.527 564 M N 1.440 121.113 119.600 0.121 0.000 2.576 564 M HA 0.277 4.757 4.480 -0.001 0.000 0.322 564 M C -0.090 176.266 176.300 0.092 0.000 1.184 564 M CA 0.118 55.488 55.300 0.115 0.000 0.967 564 M CB 1.001 33.684 32.600 0.137 0.000 1.372 564 M HN -0.003 nan 8.290 nan 0.000 0.509 565 K N 1.610 122.058 120.400 0.079 0.000 2.499 565 K HA 0.144 4.464 4.320 -0.001 0.000 0.215 565 K C -0.969 175.663 176.600 0.053 0.000 1.041 565 K CA -0.188 56.130 56.287 0.053 0.000 1.031 565 K CB 0.633 33.157 32.500 0.040 0.000 1.479 565 K HN 0.069 nan 8.250 nan 0.000 0.518 566 D N 1.993 122.430 120.400 0.061 0.000 2.312 566 D HA 0.030 4.670 4.640 -0.001 0.000 0.248 566 D C -0.658 175.669 176.300 0.045 0.000 1.086 566 D CA 0.052 54.089 54.000 0.062 0.000 0.948 566 D CB 1.212 42.063 40.800 0.086 0.000 1.162 566 D HN 0.672 nan 8.370 nan 0.000 0.446 567 D N 1.681 122.103 120.400 0.037 0.000 2.879 567 D HA 0.190 4.830 4.640 -0.001 0.000 0.351 567 D C -0.435 175.880 176.300 0.026 0.000 1.239 567 D CA -0.504 53.514 54.000 0.030 0.000 0.771 567 D CB 0.379 41.190 40.800 0.019 0.000 1.176 567 D HN 0.214 nan 8.370 nan 0.000 0.496 568 R N 0.853 121.383 120.500 0.050 0.000 2.510 568 R HA 0.320 4.660 4.340 -0.001 0.000 0.287 568 R C -0.250 176.142 176.300 0.152 0.000 1.084 568 R CA -0.771 55.369 56.100 0.065 0.000 0.934 568 R CB 2.423 32.713 30.300 -0.018 0.000 1.201 568 R HN 0.025 nan 8.270 nan 0.000 0.431 569 R N 1.324 121.930 120.500 0.177 0.000 2.523 569 R HA -0.012 4.328 4.340 -0.001 0.000 0.281 569 R C 0.505 176.920 176.300 0.191 0.000 0.969 569 R CA 0.779 56.982 56.100 0.172 0.000 1.093 569 R CB 0.207 30.601 30.300 0.156 0.000 0.917 569 R HN 0.686 nan 8.270 nan 0.000 0.408 570 S N 1.334 117.114 115.700 0.133 0.000 2.751 570 S HA 0.515 4.985 4.470 -0.001 0.000 0.310 570 S C 1.011 175.650 174.600 0.065 0.000 1.128 570 S CA -0.460 57.801 58.200 0.101 0.000 0.931 570 S CB 1.744 65.008 63.200 0.107 0.000 1.177 570 S HN 0.568 nan 8.310 nan 0.000 0.530 571 A N 0.358 123.203 122.820 0.042 0.000 2.032 571 A HA -0.022 4.298 4.320 -0.001 0.000 0.221 571 A C 1.849 179.457 177.584 0.040 0.000 1.165 571 A CA 1.539 53.599 52.037 0.038 0.000 0.645 571 A CB -1.271 17.809 19.000 0.134 0.000 0.807 571 A HN 0.770 nan 8.150 nan 0.000 0.453 572 I N -0.341 120.294 120.570 0.108 0.000 2.179 572 I HA -0.223 3.947 4.170 -0.001 0.000 0.242 572 I C 1.868 178.098 176.117 0.188 0.000 1.088 572 I CA 1.583 62.961 61.300 0.130 0.000 1.357 572 I CB -0.488 37.582 38.000 0.117 0.000 1.051 572 I HN 0.269 nan 8.210 nan 0.000 0.409 573 D N 1.131 121.646 120.400 0.192 0.000 2.149 573 D HA -0.092 4.548 4.640 -0.001 0.000 0.201 573 D C 2.271 178.679 176.300 0.179 0.000 0.972 573 D CA 1.413 55.578 54.000 0.274 0.000 0.835 573 D CB -0.056 40.873 40.800 0.215 0.000 0.966 573 D HN 0.330 nan 8.370 nan 0.000 0.476 574 A N 1.493 124.364 122.820 0.086 0.000 1.851 574 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 574 A C 2.426 180.005 177.584 -0.009 0.000 1.195 574 A CA 1.170 53.219 52.037 0.020 0.000 0.622 574 A CB -0.960 18.026 19.000 -0.022 0.000 0.831 574 A HN 0.186 nan 8.150 nan 0.000 0.444 575 L N -2.333 118.860 121.223 -0.051 0.000 2.083 575 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 575 L C 2.648 179.530 176.870 0.020 0.000 1.083 575 L CA 1.758 56.544 54.840 -0.090 0.000 0.752 575 L CB -0.730 41.182 42.059 -0.244 0.000 0.899 575 L HN 0.567 nan 8.230 nan 0.000 0.433 576 Y N 1.458 121.730 120.300 -0.047 0.000 2.163 576 Y HA -0.221 4.328 4.550 -0.001 0.000 0.288 576 Y C 2.365 178.227 175.900 -0.065 0.000 1.136 576 Y CA 1.524 59.590 58.100 -0.056 0.000 1.147 576 Y CB -0.217 38.208 38.460 -0.058 0.000 0.987 576 Y HN 0.207 nan 8.280 nan 0.000 0.509 577 E N -0.575 119.577 120.200 -0.081 0.000 2.478 577 E HA 0.023 4.373 4.350 -0.001 0.000 0.198 577 E C 1.284 177.804 176.600 -0.133 0.000 1.046 577 E CA 0.515 56.819 56.400 -0.160 0.000 0.870 577 E CB -0.068 29.612 29.700 -0.034 0.000 0.818 577 E HN 0.449 nan 8.360 nan 0.000 0.527 578 A N 0.347 123.107 122.820 -0.100 0.000 2.500 578 A HA 0.399 4.719 4.320 -0.001 0.000 0.267 578 A C 1.188 178.723 177.584 -0.081 0.000 1.290 578 A CA 0.489 52.478 52.037 -0.079 0.000 0.928 578 A CB -0.412 18.553 19.000 -0.059 0.000 1.066 578 A HN 0.106 nan 8.150 nan 0.000 0.516 579 K N 0.004 120.334 120.400 -0.115 0.000 3.349 579 K HA -0.236 4.083 4.320 -0.001 0.000 0.310 579 K C 0.297 176.874 176.600 -0.037 0.000 1.267 579 K CA 2.023 58.256 56.287 -0.089 0.000 0.920 579 K CB -2.676 29.782 32.500 -0.070 0.000 1.240 579 K HN 0.705 nan 8.250 nan 0.000 0.453 580 R N 0.326 120.807 120.500 -0.031 0.000 2.870 580 R HA 0.441 4.781 4.340 -0.001 0.000 0.254 580 R C 0.983 177.294 176.300 0.019 0.000 1.392 580 R CA -0.264 55.828 56.100 -0.012 0.000 1.322 580 R CB -0.106 30.160 30.300 -0.058 0.000 1.205 580 R HN 0.495 nan 8.270 nan 0.000 0.597 581 L N 1.282 122.536 121.223 0.051 0.000 2.627 581 L HA 0.165 4.505 4.340 -0.001 0.000 0.233 581 L C 1.185 178.097 176.870 0.071 0.000 1.144 581 L CA 0.173 55.064 54.840 0.085 0.000 0.892 581 L CB -0.475 41.635 42.059 0.085 0.000 1.039 581 L HN 0.838 nan 8.230 nan 0.000 0.442 582 G N 0.006 108.853 108.800 0.078 0.000 2.451 582 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.208 582 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.208 582 G C 0.133 175.085 174.900 0.087 0.000 1.248 582 G CA 0.177 45.335 45.100 0.096 0.000 0.989 582 G HN 0.119 nan 8.290 nan 0.000 0.559 583 Q N -0.226 119.514 119.800 -0.099 0.000 2.119 583 Q HA -0.005 4.335 4.340 -0.001 0.000 0.201 583 Q C 2.992 178.910 176.000 -0.137 0.000 0.972 583 Q CA 2.757 58.336 55.803 -0.375 0.000 0.847 583 Q CB -0.425 27.902 28.738 -0.685 0.000 0.903 583 Q HN 0.994 nan 8.270 nan 0.000 0.433 584 K N 0.685 121.043 120.400 -0.071 0.000 2.148 584 K HA -0.163 4.157 4.320 -0.001 0.000 0.204 584 K C 1.377 177.988 176.600 0.018 0.000 1.050 584 K CA 1.650 57.923 56.287 -0.022 0.000 0.942 584 K CB -0.942 31.552 32.500 -0.010 0.000 0.724 584 K HN 0.385 nan 8.250 nan 0.000 0.446 585 N N -1.492 117.231 118.700 0.039 0.000 2.376 585 N HA 0.060 4.800 4.740 -0.001 0.000 0.177 585 N C 1.299 176.861 175.510 0.086 0.000 1.024 585 N CA 1.774 54.858 53.050 0.056 0.000 0.893 585 N CB 0.432 38.953 38.487 0.056 0.000 0.980 585 N HN 0.579 nan 8.380 nan 0.000 0.439 586 G N -0.700 108.183 108.800 0.138 0.000 2.201 586 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.212 586 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.212 586 G C -0.267 174.797 174.900 0.274 0.000 0.994 586 G CA -0.042 45.187 45.100 0.216 0.000 0.644 586 G HN 0.357 nan 8.290 nan 0.000 0.508 587 K N -0.116 120.419 120.400 0.225 0.000 2.581 587 K HA 0.591 4.911 4.320 -0.001 0.000 0.249 587 K C 0.323 177.017 176.600 0.158 0.000 0.966 587 K CA -0.158 56.239 56.287 0.183 0.000 0.811 587 K CB 1.971 34.522 32.500 0.085 0.000 1.223 587 K HN 0.407 nan 8.250 nan 0.000 0.438 588 G N 0.977 109.896 108.800 0.198 0.000 3.354 588 G HA2 0.219 4.179 3.960 -0.001 0.000 0.174 588 G HA3 0.219 4.179 3.960 -0.001 0.000 0.174 588 G C -0.057 174.809 174.900 -0.056 0.000 1.140 588 G CA -0.409 44.740 45.100 0.081 0.000 0.897 588 G HN 0.372 nan 8.290 nan 0.000 0.685 589 F N 0.083 120.038 119.950 0.008 0.000 2.407 589 F HA 0.284 4.811 4.527 -0.001 0.000 0.299 589 F C 0.620 176.222 175.800 -0.330 0.000 1.097 589 F CA 0.693 58.445 58.000 -0.413 0.000 1.422 589 F CB -0.074 38.398 39.000 -0.880 0.000 1.067 589 F HN 0.050 nan 8.300 nan 0.000 0.539 590 Y N -1.462 118.941 120.300 0.171 0.000 2.662 590 Y HA 0.702 5.252 4.550 -0.001 0.000 0.335 590 Y C -0.001 175.759 175.900 -0.234 0.000 1.066 590 Y CA -2.384 55.703 58.100 -0.021 0.000 1.116 590 Y CB 0.583 38.960 38.460 -0.139 0.000 1.308 590 Y HN -0.284 nan 8.280 nan 0.000 0.502 591 A N 0.284 122.977 122.820 -0.212 0.000 2.337 591 A HA 0.804 5.123 4.320 -0.001 0.000 0.329 591 A C -2.133 175.137 177.584 -0.522 0.000 1.146 591 A CA -0.573 51.337 52.037 -0.212 0.000 0.800 591 A CB 0.254 19.223 19.000 -0.052 0.000 1.220 591 A HN 0.636 nan 8.150 nan 0.000 0.472 592 Y N 0.568 120.944 120.300 0.127 0.000 2.329 592 Y HA 0.480 5.030 4.550 -0.001 0.000 0.328 592 Y C -0.146 175.801 175.900 0.077 0.000 0.992 592 Y CA -0.427 57.737 58.100 0.106 0.000 1.151 592 Y CB 1.904 40.429 38.460 0.108 0.000 1.150 592 Y HN 0.708 nan 8.280 nan 0.000 0.450 593 E N 2.053 122.349 120.200 0.159 0.000 2.165 593 E HA 0.704 5.054 4.350 -0.001 0.000 0.266 593 E C -0.880 175.786 176.600 0.109 0.000 0.889 593 E CA -0.903 55.564 56.400 0.111 0.000 0.756 593 E CB 1.647 31.389 29.700 0.070 0.000 1.131 593 E HN 0.700 nan 8.360 nan 0.000 0.411 594 A N 2.835 125.712 122.820 0.096 0.000 2.366 594 A HA 0.066 4.386 4.320 -0.001 0.000 0.272 594 A C 0.650 178.270 177.584 0.060 0.000 1.135 594 A CA -0.340 51.745 52.037 0.080 0.000 0.804 594 A CB 0.524 19.566 19.000 0.070 0.000 1.064 594 A HN 0.784 nan 8.150 nan 0.000 0.499 595 D N 1.897 122.330 120.400 0.056 0.000 2.113 595 D HA 0.178 4.818 4.640 -0.001 0.000 0.206 595 D C 0.931 177.252 176.300 0.036 0.000 0.979 595 D CA 2.197 56.223 54.000 0.043 0.000 0.862 595 D CB 0.168 40.993 40.800 0.042 0.000 1.013 595 D HN 0.822 nan 8.370 nan 0.000 0.455 596 K N -1.130 119.291 120.400 0.035 0.000 2.210 596 K HA 0.582 4.902 4.320 -0.001 0.000 0.256 596 K C 1.274 177.890 176.600 0.028 0.000 0.854 596 K CA 0.556 56.860 56.287 0.028 0.000 0.706 596 K CB -0.859 31.654 32.500 0.023 0.000 1.474 596 K HN 0.103 nan 8.250 nan 0.000 0.371 597 K N -0.396 120.017 120.400 0.021 0.000 1.988 597 K HA -0.112 4.207 4.320 -0.001 0.000 0.231 597 K C 2.255 178.868 176.600 0.022 0.000 1.044 597 K CA 3.245 59.543 56.287 0.018 0.000 1.013 597 K CB -1.627 30.880 32.500 0.013 0.000 0.736 597 K HN 1.748 nan 8.250 nan 0.000 0.446 598 G N -0.843 107.970 108.800 0.022 0.000 3.141 598 G HA2 0.428 4.387 3.960 -0.001 0.000 0.218 598 G HA3 0.428 4.387 3.960 -0.001 0.000 0.218 598 G C 0.449 175.370 174.900 0.036 0.000 1.170 598 G CA 1.130 46.245 45.100 0.026 0.000 0.769 598 G HN 0.971 nan 8.290 nan 0.000 0.546 599 K N -1.116 119.309 120.400 0.040 0.000 2.464 599 K HA 0.911 5.231 4.320 -0.001 0.000 0.253 599 K C -0.758 175.881 176.600 0.065 0.000 0.933 599 K CA -0.027 56.291 56.287 0.052 0.000 0.801 599 K CB 1.046 33.574 32.500 0.047 0.000 1.271 599 K HN 0.845 nan 8.250 nan 0.000 0.430 600 Q N -0.365 119.487 119.800 0.086 0.000 2.456 600 Q HA 0.871 5.211 4.340 -0.001 0.000 0.283 600 Q C -0.360 175.730 176.000 0.150 0.000 1.084 600 Q CA -0.419 55.455 55.803 0.118 0.000 0.801 600 Q CB 1.147 29.962 28.738 0.130 0.000 1.434 600 Q HN 1.759 nan 8.270 nan 0.000 0.419 601 K N 0.920 121.421 120.400 0.168 0.000 2.270 601 K HA 0.722 5.042 4.320 -0.001 0.000 0.255 601 K C -0.584 176.099 176.600 0.138 0.000 0.936 601 K CA -0.536 55.835 56.287 0.140 0.000 0.809 601 K CB 1.580 34.126 32.500 0.077 0.000 1.131 601 K HN 0.797 nan 8.250 nan 0.000 0.427 602 K N 3.188 123.635 120.400 0.079 0.000 2.267 602 K HA 0.484 4.804 4.320 -0.001 0.000 0.282 602 K C -0.896 175.656 176.600 -0.079 0.000 1.078 602 K CA -0.278 55.955 56.287 -0.090 0.000 0.903 602 K CB 0.035 32.471 32.500 -0.106 0.000 1.111 602 K HN 0.622 nan 8.250 nan 0.000 0.475 603 L N 3.360 124.518 121.223 -0.108 0.000 2.303 603 L HA 0.581 4.921 4.340 -0.001 0.000 0.266 603 L C -0.606 176.317 176.870 0.087 0.000 1.011 603 L CA -1.483 53.358 54.840 0.002 0.000 0.818 603 L CB 2.056 44.106 42.059 -0.015 0.000 1.326 603 L HN 0.282 nan 8.230 nan 0.000 0.435 604 V N 0.258 120.221 119.914 0.082 0.000 2.667 604 V HA 0.540 4.660 4.120 -0.001 0.000 0.308 604 V C -1.177 174.936 176.094 0.031 0.000 1.048 604 V CA -0.542 61.802 62.300 0.075 0.000 0.928 604 V CB 1.994 33.855 31.823 0.063 0.000 1.004 604 V HN 0.876 nan 8.190 nan 0.000 0.444 605 D N 1.466 121.881 120.400 0.024 0.000 2.931 605 D HA 0.092 4.732 4.640 -0.001 0.000 0.215 605 D C 0.521 176.827 176.300 0.011 0.000 1.297 605 D CA -0.125 53.884 54.000 0.014 0.000 0.892 605 D CB 1.618 42.427 40.800 0.015 0.000 1.642 605 D HN 0.479 nan 8.370 nan 0.000 0.560 606 S N 1.038 116.736 115.700 -0.003 0.000 2.528 606 S HA -0.216 4.253 4.470 -0.001 0.000 0.244 606 S C 1.582 176.180 174.600 -0.002 0.000 0.982 606 S CA 1.115 59.308 58.200 -0.010 0.000 0.953 606 S CB -0.561 62.628 63.200 -0.018 0.000 0.754 606 S HN 0.545 nan 8.310 nan 0.000 0.529 607 S N 0.988 116.691 115.700 0.004 0.000 2.453 607 S HA 0.017 4.487 4.470 -0.001 0.000 0.231 607 S C 1.599 176.202 174.600 0.005 0.000 1.005 607 S CA 0.694 58.895 58.200 0.002 0.000 0.949 607 S CB -0.720 62.481 63.200 0.002 0.000 0.774 607 S HN 0.422 nan 8.310 nan 0.000 0.510 608 V N 1.772 121.700 119.914 0.023 0.000 2.667 608 V HA 0.013 4.133 4.120 -0.001 0.000 0.252 608 V C 2.381 178.502 176.094 0.045 0.000 1.065 608 V CA 1.055 63.376 62.300 0.036 0.000 1.083 608 V CB -0.887 30.995 31.823 0.099 0.000 0.692 608 V HN 0.451 nan 8.190 nan 0.000 0.468 609 L N 0.548 121.791 121.223 0.034 0.000 2.042 609 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 609 L C 3.082 179.948 176.870 -0.005 0.000 1.076 609 L CA 2.069 56.916 54.840 0.013 0.000 0.749 609 L CB -0.959 41.091 42.059 -0.016 0.000 0.893 609 L HN 0.535 nan 8.230 nan 0.000 0.432 610 E N -0.006 120.188 120.200 -0.010 0.000 2.058 610 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 610 E C 2.119 178.706 176.600 -0.022 0.000 0.997 610 E CA 1.990 58.380 56.400 -0.017 0.000 0.801 610 E CB -1.131 28.559 29.700 -0.016 0.000 0.746 610 E HN 0.335 nan 8.360 nan 0.000 0.450 611 V N 0.686 120.587 119.914 -0.023 0.000 2.515 611 V HA -0.146 3.974 4.120 -0.001 0.000 0.250 611 V C 2.624 178.695 176.094 -0.037 0.000 1.058 611 V CA 1.643 63.923 62.300 -0.033 0.000 1.064 611 V CB -0.407 31.387 31.823 -0.048 0.000 0.675 611 V HN 0.541 nan 8.190 nan 0.000 0.461 612 L N -0.016 121.191 121.223 -0.025 0.000 2.492 612 L HA 0.010 4.349 4.340 -0.001 0.000 0.223 612 L C 2.884 179.714 176.870 -0.065 0.000 1.132 612 L CA 0.942 55.765 54.840 -0.029 0.000 0.850 612 L CB -0.998 41.082 42.059 0.034 0.000 0.966 612 L HN 0.416 nan 8.230 nan 0.000 0.454 613 K N 1.270 121.635 120.400 -0.057 0.000 2.044 613 K HA -0.172 4.147 4.320 -0.001 0.000 0.210 613 K C 0.043 176.577 176.600 -0.110 0.000 1.049 613 K CA 1.919 58.162 56.287 -0.074 0.000 0.927 613 K CB -2.389 30.082 32.500 -0.048 0.000 0.713 613 K HN 0.296 nan 8.250 nan 0.000 0.443 614 P HA -0.064 nan 4.420 nan 0.000 0.228 614 P C 0.771 177.934 177.300 -0.228 0.000 1.151 614 P CA 0.642 63.684 63.100 -0.096 0.000 0.770 614 P CB 0.143 31.822 31.700 -0.036 0.000 0.786 615 I N -2.282 118.112 120.570 -0.294 0.000 3.035 615 I HA -0.007 4.163 4.170 -0.001 0.000 0.271 615 I C 0.692 176.292 176.117 -0.861 0.000 1.190 615 I CA 0.372 61.368 61.300 -0.506 0.000 1.472 615 I CB -1.000 36.865 38.000 -0.225 0.000 1.116 615 I HN -0.256 nan 8.210 nan 0.000 0.443 616 V N 2.101 121.714 119.914 -0.502 0.000 2.425 616 V HA -0.100 4.020 4.120 -0.001 0.000 0.276 616 V C 0.873 176.732 176.094 -0.391 0.000 1.017 616 V CA 0.449 62.531 62.300 -0.363 0.000 1.062 616 V CB -0.719 30.999 31.823 -0.176 0.000 0.997 616 V HN 0.265 nan 8.190 nan 0.000 0.476 617 Y N 2.550 122.851 120.300 0.002 0.000 2.442 617 Y HA 0.256 4.806 4.550 -0.001 0.000 0.250 617 Y C 1.060 176.963 175.900 0.005 0.000 1.113 617 Y CA -0.397 57.708 58.100 0.008 0.000 1.273 617 Y CB 0.781 39.251 38.460 0.017 0.000 1.138 617 Y HN 0.728 nan 8.280 nan 0.000 0.522 618 E N -0.577 119.685 120.200 0.104 0.000 2.378 618 E HA 0.177 4.527 4.350 -0.001 0.000 0.283 618 E C -1.212 175.393 176.600 0.009 0.000 0.979 618 E CA -0.841 55.595 56.400 0.060 0.000 0.795 618 E CB 1.194 30.942 29.700 0.079 0.000 1.221 618 E HN -0.181 nan 8.360 nan 0.000 0.428 619 Q N 1.628 121.426 119.800 -0.004 0.000 2.412 619 Q HA 0.195 4.535 4.340 -0.001 0.000 0.298 619 Q C -0.250 175.732 176.000 -0.030 0.000 0.938 619 Q CA -0.100 55.686 55.803 -0.027 0.000 0.968 619 Q CB -0.147 28.576 28.738 -0.026 0.000 1.187 619 Q HN 0.398 nan 8.270 nan 0.000 0.421 620 R N 0.661 121.147 120.500 -0.024 0.000 2.619 620 R HA -0.045 4.295 4.340 -0.001 0.000 0.268 620 R C -0.666 175.601 176.300 -0.055 0.000 0.990 620 R CA 0.528 56.614 56.100 -0.024 0.000 1.092 620 R CB 0.442 30.740 30.300 -0.003 0.000 0.935 620 R HN 0.242 nan 8.270 nan 0.000 0.415 621 D N 2.450 122.827 120.400 -0.037 0.000 2.210 621 D HA 0.328 4.968 4.640 -0.001 0.000 0.249 621 D C -0.958 175.313 176.300 -0.050 0.000 1.062 621 D CA -0.116 53.857 54.000 -0.045 0.000 0.891 621 D CB 2.005 42.790 40.800 -0.025 0.000 1.186 621 D HN 0.181 nan 8.370 nan 0.000 0.432 622 V N 1.277 121.149 119.914 -0.069 0.000 3.048 622 V HA 0.390 4.510 4.120 -0.001 0.000 0.303 622 V C -0.428 175.642 176.094 -0.039 0.000 1.214 622 V CA -0.524 61.736 62.300 -0.066 0.000 0.984 622 V CB 2.269 33.976 31.823 -0.194 0.000 1.054 622 V HN 0.746 nan 8.190 nan 0.000 0.430 623 T N 0.998 115.557 114.554 0.008 0.000 2.918 623 T HA 0.359 4.709 4.350 -0.001 0.000 0.283 623 T C 0.589 175.306 174.700 0.029 0.000 1.001 623 T CA -0.245 61.870 62.100 0.025 0.000 1.041 623 T CB 1.191 70.092 68.868 0.055 0.000 1.028 623 T HN 0.677 nan 8.240 nan 0.000 0.511 624 D N 0.877 121.297 120.400 0.032 0.000 2.309 624 D HA -0.023 4.616 4.640 -0.001 0.000 0.212 624 D C 2.260 178.604 176.300 0.072 0.000 0.968 624 D CA 1.518 55.542 54.000 0.039 0.000 0.882 624 D CB -0.299 40.528 40.800 0.046 0.000 0.918 624 D HN 0.921 nan 8.370 nan 0.000 0.503 625 E N 1.492 121.751 120.200 0.098 0.000 2.072 625 E HA -0.148 4.201 4.350 -0.001 0.000 0.190 625 E C 1.724 178.435 176.600 0.186 0.000 0.982 625 E CA 1.002 57.484 56.400 0.137 0.000 0.803 625 E CB -0.482 29.301 29.700 0.138 0.000 0.755 625 E HN 0.220 nan 8.360 nan 0.000 0.453 626 D N 0.173 120.705 120.400 0.219 0.000 2.117 626 D HA -0.038 4.601 4.640 -0.001 0.000 0.198 626 D C 2.134 178.672 176.300 0.398 0.000 0.982 626 D CA 1.012 55.252 54.000 0.399 0.000 0.828 626 D CB -0.110 40.926 40.800 0.393 0.000 0.967 626 D HN 0.454 nan 8.370 nan 0.000 0.464 627 I N 1.309 121.954 120.570 0.124 0.000 2.236 627 I HA -0.279 3.891 4.170 -0.001 0.000 0.249 627 I C 2.396 178.569 176.117 0.093 0.000 1.102 627 I CA 0.958 62.264 61.300 0.010 0.000 1.365 627 I CB -0.242 37.729 38.000 -0.048 0.000 1.051 627 I HN -0.009 nan 8.210 nan 0.000 0.420 628 I N 0.604 121.212 120.570 0.062 0.000 2.394 628 I HA -0.242 3.928 4.170 -0.001 0.000 0.251 628 I C 2.085 178.223 176.117 0.035 0.000 1.136 628 I CA 1.027 62.283 61.300 -0.073 0.000 1.425 628 I CB -0.515 37.381 38.000 -0.172 0.000 1.079 628 I HN 0.335 nan 8.210 nan 0.000 0.425 629 N N 0.233 119.039 118.700 0.177 0.000 2.207 629 N HA -0.150 4.589 4.740 -0.001 0.000 0.182 629 N C 1.549 177.179 175.510 0.200 0.000 1.020 629 N CA 1.172 54.281 53.050 0.097 0.000 0.858 629 N CB -0.346 38.055 38.487 -0.144 0.000 0.991 629 N HN 0.367 nan 8.380 nan 0.000 0.427 630 W N 1.423 122.819 121.300 0.160 0.000 2.364 630 W HA 0.048 4.707 4.660 -0.001 0.000 0.281 630 W C 2.201 178.804 176.519 0.140 0.000 1.219 630 W CA 0.654 58.186 57.345 0.312 0.000 1.220 630 W CB -0.193 29.412 29.460 0.241 0.000 1.127 630 W HN 0.062 nan 8.180 nan 0.000 0.556 631 M N -1.854 117.888 119.600 0.237 0.000 2.384 631 M HA -0.013 4.467 4.480 -0.001 0.000 0.258 631 M C 1.956 178.364 176.300 0.181 0.000 1.130 631 M CA 1.056 56.385 55.300 0.048 0.000 1.187 631 M CB -1.450 31.079 32.600 -0.119 0.000 1.307 631 M HN -0.118 nan 8.290 nan 0.000 0.468 632 M N 0.693 120.394 119.600 0.169 0.000 2.086 632 M HA -0.079 4.401 4.480 -0.001 0.000 0.261 632 M C 2.313 178.776 176.300 0.272 0.000 1.067 632 M CA 1.588 57.032 55.300 0.241 0.000 1.116 632 M CB -1.354 31.382 32.600 0.227 0.000 1.348 632 M HN 0.206 nan 8.290 nan 0.000 0.407 633 I N 0.101 120.788 120.570 0.195 0.000 2.118 633 I HA -0.264 3.905 4.170 -0.001 0.000 0.241 633 I C -0.491 175.624 176.117 -0.003 0.000 1.070 633 I CA 1.697 63.086 61.300 0.149 0.000 1.327 633 I CB -2.083 35.861 38.000 -0.093 0.000 1.034 633 I HN 0.168 nan 8.210 nan 0.000 0.405 634 P HA -0.169 nan 4.420 nan 0.000 0.217 634 P C 1.961 179.243 177.300 -0.031 0.000 1.150 634 P CA 1.346 64.292 63.100 -0.257 0.000 0.832 634 P CB 0.059 31.545 31.700 -0.358 0.000 0.787 635 L N -1.268 120.006 121.223 0.084 0.000 2.072 635 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 635 L C 1.967 178.901 176.870 0.108 0.000 1.079 635 L CA 1.668 56.586 54.840 0.130 0.000 0.752 635 L CB -0.723 41.457 42.059 0.202 0.000 0.906 635 L HN 0.013 nan 8.230 nan 0.000 0.436 636 C N -0.069 119.325 119.300 0.156 0.000 2.436 636 C HA -0.146 4.314 4.460 -0.001 0.000 0.277 636 C C 2.648 177.661 174.990 0.040 0.000 1.241 636 C CA 0.591 59.665 59.018 0.092 0.000 1.721 636 C CB -1.027 26.798 27.740 0.141 0.000 2.043 636 C HN 0.528 nan 8.230 nan 0.000 0.472 637 L N 0.788 122.080 121.223 0.115 0.000 2.042 637 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 637 L C 2.697 179.572 176.870 0.008 0.000 1.076 637 L CA 1.771 56.663 54.840 0.087 0.000 0.749 637 L CB -0.759 41.342 42.059 0.070 0.000 0.893 637 L HN 0.308 nan 8.230 nan 0.000 0.432 638 E N -0.049 120.141 120.200 -0.017 0.000 2.153 638 E HA -0.170 4.180 4.350 -0.001 0.000 0.194 638 E C 2.003 178.566 176.600 -0.062 0.000 0.988 638 E CA 1.690 58.056 56.400 -0.056 0.000 0.811 638 E CB -0.121 29.549 29.700 -0.050 0.000 0.746 638 E HN 0.328 nan 8.360 nan 0.000 0.466 639 T N -0.443 114.073 114.554 -0.063 0.000 2.777 639 T HA -0.097 4.253 4.350 -0.001 0.000 0.266 639 T C 1.857 176.478 174.700 -0.132 0.000 1.040 639 T CA 1.296 63.333 62.100 -0.105 0.000 1.141 639 T CB -0.251 68.522 68.868 -0.158 0.000 0.868 639 T HN 0.026 nan 8.240 nan 0.000 0.444 640 V N 1.755 121.587 119.914 -0.136 0.000 2.490 640 V HA -0.163 3.957 4.120 -0.001 0.000 0.250 640 V C 2.546 178.633 176.094 -0.013 0.000 1.061 640 V CA 1.517 63.756 62.300 -0.101 0.000 1.064 640 V CB -0.625 31.198 31.823 -0.001 0.000 0.670 640 V HN 0.424 nan 8.190 nan 0.000 0.461 641 R N -0.820 119.667 120.500 -0.020 0.000 2.115 641 R HA -0.084 4.256 4.340 -0.001 0.000 0.226 641 R C 2.269 178.560 176.300 -0.015 0.000 1.100 641 R CA 1.562 57.653 56.100 -0.014 0.000 0.980 641 R CB -0.708 29.558 30.300 -0.056 0.000 0.875 641 R HN 0.449 nan 8.270 nan 0.000 0.445 642 C N 0.830 120.110 119.300 -0.033 0.000 2.432 642 C HA 0.012 4.471 4.460 -0.001 0.000 0.282 642 C C 2.502 177.494 174.990 0.004 0.000 1.388 642 C CA 0.260 59.274 59.018 -0.007 0.000 1.777 642 C CB -0.817 26.917 27.740 -0.010 0.000 1.882 642 C HN 0.462 nan 8.230 nan 0.000 0.520 643 L N 0.304 121.518 121.223 -0.015 0.000 2.249 643 L HA 0.026 4.366 4.340 -0.001 0.000 0.207 643 L C 2.459 179.344 176.870 0.024 0.000 1.090 643 L CA 1.378 56.213 54.840 -0.008 0.000 0.802 643 L CB -0.322 41.713 42.059 -0.039 0.000 0.947 643 L HN 0.300 nan 8.230 nan 0.000 0.453 644 E N -0.234 119.988 120.200 0.037 0.000 2.076 644 E HA -0.162 4.187 4.350 -0.001 0.000 0.190 644 E C 1.207 177.836 176.600 0.048 0.000 0.979 644 E CA 1.069 57.499 56.400 0.049 0.000 0.807 644 E CB 0.129 29.864 29.700 0.059 0.000 0.761 644 E HN 0.496 nan 8.360 nan 0.000 0.454 645 D N -0.338 120.094 120.400 0.053 0.000 2.371 645 D HA -0.011 4.629 4.640 -0.001 0.000 0.221 645 D C 0.779 177.118 176.300 0.066 0.000 0.986 645 D CA 0.912 54.955 54.000 0.071 0.000 0.899 645 D CB 0.429 41.290 40.800 0.101 0.000 0.902 645 D HN 0.293 nan 8.370 nan 0.000 0.530 646 G N 1.087 109.919 108.800 0.053 0.000 2.303 646 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.260 646 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.260 646 G C 0.716 175.652 174.900 0.059 0.000 1.106 646 G CA -0.093 45.035 45.100 0.048 0.000 0.900 646 G HN 0.237 nan 8.290 nan 0.000 0.495 647 I N -0.861 119.747 120.570 0.063 0.000 2.731 647 I HA 0.241 4.411 4.170 -0.001 0.000 0.260 647 I C 1.317 177.470 176.117 0.059 0.000 1.138 647 I CA 0.710 62.059 61.300 0.081 0.000 1.461 647 I CB 0.581 38.642 38.000 0.102 0.000 1.128 647 I HN 0.168 nan 8.210 nan 0.000 0.438 648 V N 0.246 120.182 119.914 0.037 0.000 2.769 648 V HA 0.250 4.370 4.120 -0.001 0.000 0.312 648 V C 0.773 176.875 176.094 0.013 0.000 1.061 648 V CA -0.669 61.643 62.300 0.021 0.000 0.931 648 V CB 2.046 33.869 31.823 -0.001 0.000 1.010 648 V HN 0.142 nan 8.190 nan 0.000 0.433 649 E N 1.171 121.379 120.200 0.014 0.000 2.140 649 E HA 0.037 4.387 4.350 -0.001 0.000 0.191 649 E C 0.553 177.148 176.600 -0.008 0.000 0.973 649 E CA 0.969 57.376 56.400 0.010 0.000 0.829 649 E CB 0.400 30.114 29.700 0.023 0.000 0.781 649 E HN 0.840 nan 8.360 nan 0.000 0.466 650 T N -3.288 111.254 114.554 -0.019 0.000 2.916 650 T HA 0.598 4.947 4.350 -0.001 0.000 0.292 650 T C 0.827 175.490 174.700 -0.061 0.000 1.055 650 T CA -0.375 61.702 62.100 -0.038 0.000 1.009 650 T CB 1.955 70.803 68.868 -0.032 0.000 1.118 650 T HN -0.059 nan 8.240 nan 0.000 0.497 651 A N 1.243 124.000 122.820 -0.106 0.000 1.972 651 A HA 0.229 4.549 4.320 -0.001 0.000 0.219 651 A C 2.522 180.069 177.584 -0.062 0.000 1.169 651 A CA 1.915 53.849 52.037 -0.172 0.000 0.635 651 A CB -1.439 17.304 19.000 -0.428 0.000 0.810 651 A HN 1.331 nan 8.150 nan 0.000 0.446 652 A N 0.089 122.918 122.820 0.015 0.000 1.883 652 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 652 A C 1.901 179.471 177.584 -0.023 0.000 1.186 652 A CA 1.688 53.756 52.037 0.051 0.000 0.624 652 A CB -0.546 18.482 19.000 0.047 0.000 0.822 652 A HN 0.644 nan 8.150 nan 0.000 0.444 653 E N -0.327 119.855 120.200 -0.030 0.000 2.208 653 E HA 0.010 4.360 4.350 -0.001 0.000 0.193 653 E C 2.054 178.621 176.600 -0.056 0.000 0.988 653 E CA 0.657 57.037 56.400 -0.033 0.000 0.828 653 E CB -0.230 29.465 29.700 -0.010 0.000 0.763 653 E HN 0.619 nan 8.360 nan 0.000 0.478 654 A N 1.124 123.899 122.820 -0.075 0.000 2.119 654 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 654 A C 1.107 178.596 177.584 -0.158 0.000 1.153 654 A CA 1.433 53.408 52.037 -0.103 0.000 0.692 654 A CB -0.024 18.899 19.000 -0.128 0.000 0.799 654 A HN 0.074 nan 8.150 nan 0.000 0.458 655 D N -1.237 119.058 120.400 -0.174 0.000 2.431 655 D HA 0.093 4.733 4.640 -0.001 0.000 0.235 655 D C 1.971 178.095 176.300 -0.293 0.000 0.980 655 D CA 0.600 54.435 54.000 -0.276 0.000 0.912 655 D CB -0.192 40.459 40.800 -0.249 0.000 1.056 655 D HN 0.305 nan 8.370 nan 0.000 0.494 656 M N 0.531 119.987 119.600 -0.240 0.000 2.213 656 M HA -0.005 4.474 4.480 -0.001 0.000 0.263 656 M C 2.156 178.315 176.300 -0.234 0.000 1.062 656 M CA 1.415 56.525 55.300 -0.318 0.000 1.105 656 M CB -0.376 32.086 32.600 -0.229 0.000 1.385 656 M HN 0.086 nan 8.290 nan 0.000 0.417 657 G N 0.452 109.174 108.800 -0.129 0.000 2.470 657 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.220 657 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.220 657 G C 1.472 176.316 174.900 -0.093 0.000 1.121 657 G CA 0.529 45.587 45.100 -0.070 0.000 0.766 657 G HN 0.382 nan 8.290 nan 0.000 0.553 658 L N -0.149 120.991 121.223 -0.139 0.000 2.298 658 L HA 0.105 4.445 4.340 -0.001 0.000 0.209 658 L C 2.753 179.568 176.870 -0.092 0.000 1.084 658 L CA -0.042 54.746 54.840 -0.086 0.000 0.816 658 L CB -0.097 41.870 42.059 -0.153 0.000 0.967 658 L HN 0.023 nan 8.230 nan 0.000 0.460 659 V N -0.901 118.874 119.914 -0.232 0.000 2.358 659 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 659 V C 1.982 177.933 176.094 -0.237 0.000 1.047 659 V CA 1.890 64.010 62.300 -0.300 0.000 1.035 659 V CB -0.592 30.912 31.823 -0.533 0.000 0.658 659 V HN 0.388 nan 8.190 nan 0.000 0.452 660 Y N -0.025 120.175 120.300 -0.167 0.000 2.476 660 Y HA 0.188 4.737 4.550 -0.001 0.000 0.283 660 Y C 2.348 178.081 175.900 -0.278 0.000 1.109 660 Y CA 0.311 58.293 58.100 -0.197 0.000 1.246 660 Y CB 0.015 38.356 38.460 -0.199 0.000 1.068 660 Y HN 0.307 nan 8.280 nan 0.000 0.552 661 G N 0.926 109.627 108.800 -0.164 0.000 2.695 661 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.219 661 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.219 661 G C 1.445 176.254 174.900 -0.152 0.000 1.295 661 G CA 0.599 45.465 45.100 -0.390 0.000 0.882 661 G HN 0.376 nan 8.290 nan 0.000 0.570 662 I N -1.467 119.103 120.570 -0.001 0.000 2.830 662 I HA 0.299 4.469 4.170 -0.001 0.000 0.263 662 I C 1.448 177.695 176.117 0.216 0.000 1.230 662 I CA 0.900 62.279 61.300 0.133 0.000 1.480 662 I CB -0.304 37.811 38.000 0.192 0.000 1.095 662 I HN 0.445 nan 8.210 nan 0.000 0.455 663 G N 1.663 110.512 108.800 0.082 0.000 2.325 663 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.248 663 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.248 663 G C -0.174 174.531 174.900 -0.325 0.000 1.108 663 G CA -0.265 44.829 45.100 -0.009 0.000 0.881 663 G HN 0.435 nan 8.290 nan 0.000 0.494 664 F N 1.166 120.778 119.950 -0.563 0.000 2.538 664 F HA 0.465 4.992 4.527 -0.001 0.000 0.371 664 F C -1.280 174.021 175.800 -0.833 0.000 1.087 664 F CA -1.669 55.735 58.000 -0.993 0.000 1.250 664 F CB 0.801 39.462 39.000 -0.565 0.000 1.110 664 F HN 0.057 nan 8.300 nan 0.000 0.570 665 P HA -0.132 nan 4.420 nan 0.000 0.253 665 P C 0.283 177.360 177.300 -0.370 0.000 1.159 665 P CA 0.511 63.182 63.100 -0.716 0.000 0.779 665 P CB 0.227 31.377 31.700 -0.916 0.000 0.745 666 L N 3.865 124.850 121.223 -0.398 0.000 1.971 666 L HA -0.180 4.160 4.340 -0.001 0.000 0.215 666 L C 1.910 178.495 176.870 -0.475 0.000 1.072 666 L CA 2.028 56.575 54.840 -0.487 0.000 0.758 666 L CB -1.402 40.238 42.059 -0.698 0.000 0.889 666 L HN 0.347 nan 8.230 nan 0.000 0.433 667 F N -0.812 119.043 119.950 -0.159 0.000 2.722 667 F HA -0.026 4.501 4.527 -0.001 0.000 0.298 667 F C 2.272 177.997 175.800 -0.125 0.000 1.175 667 F CA 0.465 58.390 58.000 -0.125 0.000 1.462 667 F CB -0.468 38.461 39.000 -0.117 0.000 1.111 667 F HN 0.004 nan 8.300 nan 0.000 0.592 668 R N -0.170 120.301 120.500 -0.049 0.000 2.432 668 R HA 0.256 4.596 4.340 -0.001 0.000 0.260 668 R C 1.637 177.947 176.300 0.016 0.000 0.935 668 R CA 0.668 56.752 56.100 -0.027 0.000 1.080 668 R CB -0.005 30.204 30.300 -0.151 0.000 1.155 668 R HN 0.368 nan 8.270 nan 0.000 0.531 669 G N -0.084 108.674 108.800 -0.070 0.000 5.452 669 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.310 669 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.310 669 G C 0.321 175.079 174.900 -0.237 0.000 1.392 669 G CA -0.030 44.983 45.100 -0.144 0.000 0.942 669 G HN 0.747 nan 8.290 nan 0.000 0.776 670 G N -2.545 106.062 108.800 -0.322 0.000 2.428 670 G HA2 0.658 4.618 3.960 -0.001 0.000 0.304 670 G HA3 0.658 4.618 3.960 -0.001 0.000 0.304 670 G C 0.642 174.936 174.900 -1.010 0.000 1.303 670 G CA 1.181 45.736 45.100 -0.908 0.000 0.825 670 G HN 1.705 nan 8.290 nan 0.000 0.484 671 A N -0.746 121.367 122.820 -1.179 0.000 1.902 671 A HA 0.129 4.448 4.320 -0.001 0.000 0.217 671 A C 2.385 179.816 177.584 -0.254 0.000 1.181 671 A CA 1.958 53.693 52.037 -0.503 0.000 0.623 671 A CB -0.590 18.202 19.000 -0.346 0.000 0.818 671 A HN 0.572 nan 8.150 nan 0.000 0.443 672 L N -1.533 119.503 121.223 -0.312 0.000 2.072 672 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 672 L C 2.782 179.641 176.870 -0.017 0.000 1.079 672 L CA 1.390 56.041 54.840 -0.315 0.000 0.752 672 L CB -0.434 41.392 42.059 -0.387 0.000 0.906 672 L HN 0.418 nan 8.230 nan 0.000 0.436 673 R N -0.635 119.917 120.500 0.087 0.000 2.092 673 R HA -0.228 4.112 4.340 -0.001 0.000 0.231 673 R C 2.467 178.802 176.300 0.059 0.000 1.119 673 R CA 1.406 57.563 56.100 0.095 0.000 0.970 673 R CB -0.320 29.925 30.300 -0.093 0.000 0.864 673 R HN 0.246 nan 8.270 nan 0.000 0.440 674 Y N 1.325 121.585 120.300 -0.066 0.000 2.207 674 Y HA -0.180 4.370 4.550 -0.001 0.000 0.287 674 Y C 1.751 177.593 175.900 -0.097 0.000 1.156 674 Y CA 1.456 59.552 58.100 -0.008 0.000 1.182 674 Y CB -0.249 38.296 38.460 0.143 0.000 0.979 674 Y HN 0.026 nan 8.280 nan 0.000 0.521 675 I N 0.028 120.401 120.570 -0.329 0.000 2.226 675 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 675 I C 1.739 177.699 176.117 -0.261 0.000 1.100 675 I CA 1.892 62.829 61.300 -0.604 0.000 1.374 675 I CB -0.475 37.179 38.000 -0.576 0.000 1.057 675 I HN 0.127 nan 8.210 nan 0.000 0.413 676 D N 0.488 120.859 120.400 -0.049 0.000 2.178 676 D HA -0.122 4.518 4.640 -0.001 0.000 0.202 676 D C 2.219 178.499 176.300 -0.034 0.000 0.974 676 D CA 0.956 54.978 54.000 0.037 0.000 0.841 676 D CB -0.095 40.800 40.800 0.159 0.000 0.953 676 D HN 0.120 nan 8.370 nan 0.000 0.478 677 S N -0.384 115.271 115.700 -0.075 0.000 2.500 677 S HA -0.028 4.441 4.470 -0.001 0.000 0.239 677 S C 1.720 176.260 174.600 -0.100 0.000 0.989 677 S CA 0.584 58.741 58.200 -0.072 0.000 0.951 677 S CB 0.016 63.207 63.200 -0.015 0.000 0.759 677 S HN 0.347 nan 8.310 nan 0.000 0.523 678 I N -0.467 120.020 120.570 -0.138 0.000 4.244 678 I HA 0.294 4.463 4.170 -0.001 0.000 0.318 678 I C 0.849 176.959 176.117 -0.011 0.000 1.282 678 I CA 0.188 61.439 61.300 -0.081 0.000 1.276 678 I CB 0.521 38.460 38.000 -0.101 0.000 1.183 678 I HN 0.310 nan 8.210 nan 0.000 0.431 679 G N 1.285 110.081 108.800 -0.006 0.000 3.444 679 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.685 679 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.685 679 G C 0.125 175.080 174.900 0.092 0.000 1.145 679 G CA -0.411 44.709 45.100 0.034 0.000 0.973 679 G HN -0.149 nan 8.290 nan 0.000 0.525 680 V N 2.029 121.996 119.914 0.090 0.000 2.324 680 V HA -0.217 3.903 4.120 -0.001 0.000 0.250 680 V C 3.293 179.474 176.094 0.145 0.000 1.060 680 V CA 3.534 65.920 62.300 0.143 0.000 1.042 680 V CB -1.099 30.740 31.823 0.028 0.000 0.650 680 V HN 1.678 nan 8.190 nan 0.000 0.450 681 A N -0.214 122.651 122.820 0.075 0.000 1.930 681 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 681 A C 2.065 179.690 177.584 0.068 0.000 1.175 681 A CA 1.787 53.857 52.037 0.056 0.000 0.627 681 A CB -0.392 18.624 19.000 0.027 0.000 0.815 681 A HN 0.590 nan 8.150 nan 0.000 0.443 682 E N -1.559 118.691 120.200 0.083 0.000 2.435 682 E HA 0.062 4.412 4.350 -0.001 0.000 0.195 682 E C 1.343 178.014 176.600 0.118 0.000 1.029 682 E CA 0.362 56.809 56.400 0.078 0.000 0.865 682 E CB -0.193 29.545 29.700 0.062 0.000 0.833 682 E HN 0.671 nan 8.360 nan 0.000 0.510 683 F N 0.099 120.046 119.950 -0.006 0.000 2.270 683 F HA -0.047 4.480 4.527 -0.001 0.000 0.295 683 F C 1.732 177.536 175.800 0.006 0.000 1.087 683 F CA 0.625 58.617 58.000 -0.013 0.000 1.365 683 F CB -0.064 38.933 39.000 -0.005 0.000 1.056 683 F HN -0.162 nan 8.300 nan 0.000 0.506 684 V N 0.600 120.500 119.914 -0.024 0.000 2.407 684 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 684 V C 2.740 178.765 176.094 -0.115 0.000 1.055 684 V CA 1.627 63.865 62.300 -0.103 0.000 1.049 684 V CB -1.643 30.189 31.823 0.015 0.000 0.662 684 V HN 0.428 nan 8.190 nan 0.000 0.455 685 A N -0.341 122.445 122.820 -0.056 0.000 1.902 685 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 685 A C 2.271 179.828 177.584 -0.045 0.000 1.181 685 A CA 1.917 53.936 52.037 -0.031 0.000 0.623 685 A CB -0.508 18.493 19.000 0.002 0.000 0.818 685 A HN 0.488 nan 8.150 nan 0.000 0.443 686 L N -0.803 120.366 121.223 -0.090 0.000 2.056 686 L HA -0.138 4.202 4.340 -0.001 0.000 0.207 686 L C 2.863 179.648 176.870 -0.142 0.000 1.078 686 L CA 1.279 56.071 54.840 -0.080 0.000 0.749 686 L CB -0.351 41.632 42.059 -0.125 0.000 0.901 686 L HN 0.414 nan 8.230 nan 0.000 0.433 687 A N -0.454 122.161 122.820 -0.341 0.000 1.933 687 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 687 A C 1.874 179.396 177.584 -0.104 0.000 1.175 687 A CA 1.908 53.760 52.037 -0.310 0.000 0.628 687 A CB -0.611 18.133 19.000 -0.426 0.000 0.814 687 A HN 0.493 nan 8.150 nan 0.000 0.444 688 D N -0.831 119.522 120.400 -0.077 0.000 2.178 688 D HA -0.174 4.465 4.640 -0.001 0.000 0.201 688 D C 1.946 178.228 176.300 -0.031 0.000 0.980 688 D CA 1.376 55.347 54.000 -0.047 0.000 0.842 688 D CB -0.268 40.519 40.800 -0.021 0.000 0.948 688 D HN 0.670 nan 8.370 nan 0.000 0.472 689 Q N -0.492 119.327 119.800 0.032 0.000 2.369 689 Q HA -0.129 4.210 4.340 -0.001 0.000 0.206 689 Q C 0.671 176.551 176.000 -0.199 0.000 0.963 689 Q CA 0.702 56.470 55.803 -0.059 0.000 0.894 689 Q CB 0.170 28.867 28.738 -0.068 0.000 0.965 689 Q HN 0.362 nan 8.270 nan 0.000 0.475 690 Y N -1.521 118.614 120.300 -0.275 0.000 2.524 690 Y HA 0.309 4.859 4.550 -0.001 0.000 0.266 690 Y C 1.621 177.190 175.900 -0.551 0.000 1.180 690 Y CA 0.138 57.949 58.100 -0.481 0.000 1.244 690 Y CB -0.044 38.126 38.460 -0.484 0.000 1.125 690 Y HN 0.135 nan 8.280 nan 0.000 0.524 691 A N 0.604 123.267 122.820 -0.262 0.000 2.067 691 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 691 A C 1.936 179.364 177.584 -0.260 0.000 1.158 691 A CA 1.518 53.317 52.037 -0.397 0.000 0.661 691 A CB -0.548 18.266 19.000 -0.309 0.000 0.801 691 A HN 0.630 nan 8.150 nan 0.000 0.452 692 E N -0.008 120.044 120.200 -0.246 0.000 2.516 692 E HA 0.024 4.374 4.350 -0.001 0.000 0.199 692 E C 1.171 177.629 176.600 -0.236 0.000 1.069 692 E CA 0.499 56.790 56.400 -0.183 0.000 0.876 692 E CB -0.331 29.263 29.700 -0.177 0.000 0.843 692 E HN 0.619 nan 8.360 nan 0.000 0.530 693 L N -0.021 120.961 121.223 -0.402 0.000 2.554 693 L HA 0.373 4.713 4.340 -0.001 0.000 0.225 693 L C 1.020 177.814 176.870 -0.127 0.000 1.104 693 L CA 0.237 54.810 54.840 -0.445 0.000 0.866 693 L CB 0.245 41.616 42.059 -1.148 0.000 1.047 693 L HN 0.379 nan 8.230 nan 0.000 0.468 694 G N -1.068 107.730 108.800 -0.004 0.000 2.347 694 G HA2 0.081 4.041 3.960 -0.001 0.000 0.341 694 G HA3 0.081 4.041 3.960 -0.001 0.000 0.341 694 G C 0.139 175.229 174.900 0.316 0.000 1.287 694 G CA -0.328 44.871 45.100 0.165 0.000 0.984 694 G HN -0.125 nan 8.290 nan 0.000 0.526 695 A N -0.667 122.329 122.820 0.294 0.000 2.172 695 A HA 0.274 4.593 4.320 -0.001 0.000 0.216 695 A C 2.369 180.089 177.584 0.226 0.000 1.154 695 A CA 1.842 54.066 52.037 0.311 0.000 0.701 695 A CB -0.410 18.686 19.000 0.160 0.000 0.789 695 A HN 0.876 nan 8.150 nan 0.000 0.465 696 L N -2.212 119.124 121.223 0.188 0.000 2.376 696 L HA -0.084 4.256 4.340 -0.001 0.000 0.219 696 L C 0.974 177.741 176.870 -0.171 0.000 1.133 696 L CA 0.733 55.577 54.840 0.008 0.000 0.816 696 L CB -0.239 41.794 42.059 -0.044 0.000 0.933 696 L HN 0.509 nan 8.230 nan 0.000 0.449 697 Y N -2.565 117.691 120.300 -0.074 0.000 2.681 697 Y HA 0.252 4.802 4.550 -0.001 0.000 0.267 697 Y C 0.362 176.091 175.900 -0.284 0.000 1.166 697 Y CA -0.707 57.282 58.100 -0.185 0.000 1.209 697 Y CB -0.153 38.156 38.460 -0.252 0.000 1.161 697 Y HN 0.041 nan 8.280 nan 0.000 0.534 698 H N 1.176 120.294 119.070 0.080 0.000 2.581 698 H HA 0.294 4.849 4.556 -0.001 0.000 0.308 698 H C -2.302 173.043 175.328 0.028 0.000 1.040 698 H CA -2.344 53.731 56.048 0.045 0.000 1.231 698 H CB 1.238 31.027 29.762 0.046 0.000 1.396 698 H HN 0.080 nan 8.280 nan 0.000 0.467 699 P HA -0.077 nan 4.420 nan 0.000 0.266 699 P C 0.289 177.658 177.300 0.114 0.000 1.193 699 P CA 0.170 63.331 63.100 0.101 0.000 0.770 699 P CB 0.590 32.330 31.700 0.067 0.000 0.836 700 T N -0.798 113.823 114.554 0.111 0.000 2.828 700 T HA 0.359 4.708 4.350 -0.001 0.000 0.290 700 T C 1.383 176.127 174.700 0.074 0.000 1.019 700 T CA -0.119 62.035 62.100 0.089 0.000 1.031 700 T CB 0.676 69.600 68.868 0.093 0.000 1.001 700 T HN 0.333 nan 8.240 nan 0.000 0.531 701 A N 1.074 123.927 122.820 0.054 0.000 1.902 701 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 701 A C 2.311 179.915 177.584 0.034 0.000 1.181 701 A CA 1.281 53.341 52.037 0.038 0.000 0.623 701 A CB -0.751 18.266 19.000 0.028 0.000 0.818 701 A HN 0.909 nan 8.150 nan 0.000 0.443 702 K N -0.623 119.800 120.400 0.039 0.000 2.211 702 K HA 0.050 4.369 4.320 -0.001 0.000 0.203 702 K C 1.818 178.428 176.600 0.018 0.000 1.050 702 K CA 0.928 57.230 56.287 0.025 0.000 0.945 702 K CB -0.234 32.287 32.500 0.036 0.000 0.732 702 K HN 0.492 nan 8.250 nan 0.000 0.451 703 L N 0.742 122.001 121.223 0.061 0.000 2.131 703 L HA -0.092 4.247 4.340 -0.001 0.000 0.206 703 L C 2.325 179.219 176.870 0.040 0.000 1.087 703 L CA 0.972 55.858 54.840 0.077 0.000 0.767 703 L CB 0.027 42.197 42.059 0.185 0.000 0.917 703 L HN 0.102 nan 8.230 nan 0.000 0.441 704 R N -0.441 120.085 120.500 0.043 0.000 2.092 704 R HA -0.194 4.146 4.340 -0.001 0.000 0.231 704 R C 2.045 178.349 176.300 0.006 0.000 1.119 704 R CA 1.371 57.488 56.100 0.029 0.000 0.970 704 R CB -0.219 30.100 30.300 0.033 0.000 0.864 704 R HN 0.448 nan 8.270 nan 0.000 0.440 705 E N 1.543 121.742 120.200 -0.002 0.000 2.051 705 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 705 E C 1.920 178.498 176.600 -0.036 0.000 0.991 705 E CA 1.518 57.909 56.400 -0.015 0.000 0.799 705 E CB 0.025 29.716 29.700 -0.015 0.000 0.748 705 E HN 0.316 nan 8.360 nan 0.000 0.449 706 M N -1.573 117.989 119.600 -0.064 0.000 2.618 706 M HA 0.287 4.767 4.480 -0.001 0.000 0.240 706 M C 1.770 178.016 176.300 -0.090 0.000 1.123 706 M CA 0.815 56.051 55.300 -0.107 0.000 1.060 706 M CB 0.490 32.966 32.600 -0.206 0.000 1.535 706 M HN 0.029 nan 8.290 nan 0.000 0.507 707 A N 3.074 125.868 122.820 -0.044 0.000 1.855 707 A HA -0.102 4.217 4.320 -0.001 0.000 0.213 707 A C 2.328 179.904 177.584 -0.013 0.000 1.195 707 A CA 1.592 53.620 52.037 -0.015 0.000 0.610 707 A CB -0.456 18.554 19.000 0.015 0.000 0.837 707 A HN 0.703 nan 8.150 nan 0.000 0.444 708 K N -0.531 119.862 120.400 -0.012 0.000 2.148 708 K HA -0.081 4.239 4.320 -0.001 0.000 0.204 708 K C 0.802 177.393 176.600 -0.015 0.000 1.050 708 K CA 1.554 57.836 56.287 -0.009 0.000 0.942 708 K CB -0.385 32.112 32.500 -0.006 0.000 0.724 708 K HN 0.258 nan 8.250 nan 0.000 0.446 709 N N 1.002 119.686 118.700 -0.026 0.000 2.571 709 N HA -0.003 4.737 4.740 -0.001 0.000 0.189 709 N C 0.695 176.186 175.510 -0.032 0.000 1.154 709 N CA 1.111 54.144 53.050 -0.029 0.000 0.907 709 N CB 0.323 38.786 38.487 -0.039 0.000 0.977 709 N HN 0.594 nan 8.380 nan 0.000 0.449 710 G N 0.915 109.696 108.800 -0.031 0.000 2.225 710 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.267 710 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.267 710 G C -0.218 174.655 174.900 -0.045 0.000 1.024 710 G CA 0.104 45.188 45.100 -0.028 0.000 0.784 710 G HN 0.420 nan 8.290 nan 0.000 0.507 711 Q N -0.096 119.657 119.800 -0.077 0.000 2.235 711 Q HA 0.651 4.991 4.340 -0.001 0.000 0.250 711 Q C -0.038 175.856 176.000 -0.176 0.000 0.909 711 Q CA -0.212 55.521 55.803 -0.117 0.000 0.910 711 Q CB 1.594 30.245 28.738 -0.145 0.000 1.223 711 Q HN 0.256 nan 8.270 nan 0.000 0.432 712 S N 0.572 116.175 115.700 -0.161 0.000 2.638 712 S HA 0.377 4.846 4.470 -0.001 0.000 0.302 712 S C 0.078 174.527 174.600 -0.251 0.000 1.096 712 S CA -0.716 57.387 58.200 -0.162 0.000 0.953 712 S CB 0.559 63.772 63.200 0.022 0.000 1.107 712 S HN 0.549 nan 8.310 nan 0.000 0.503 713 F N 0.154 120.034 119.950 -0.116 0.000 2.408 713 F HA 0.088 4.615 4.527 -0.001 0.000 0.300 713 F C 0.689 176.157 175.800 -0.553 0.000 1.090 713 F CA 0.818 58.621 58.000 -0.329 0.000 1.427 713 F CB -0.259 38.475 39.000 -0.443 0.000 1.070 713 F HN 0.398 nan 8.300 nan 0.000 0.549 714 F N 0.603 120.609 119.950 0.094 0.000 2.611 714 F HA 0.551 5.078 4.527 -0.000 0.000 0.321 714 F C 0.728 176.540 175.800 0.020 0.000 1.208 714 F CA -0.274 57.755 58.000 0.048 0.000 1.249 714 F CB 0.041 39.060 39.000 0.033 0.000 1.514 714 F HN -0.048 nan 8.300 nan 0.000 0.561 715 G N 0.000 108.831 108.800 0.052 0.000 5.446 715 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 715 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 715 G CA 0.000 45.127 45.100 0.045 0.000 0.502 715 G HN 0.000 nan 8.290 nan 0.000 0.925