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 2d3t_1_B 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 AYEADXXXXQ 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 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 I N -0.644 119.947 120.570 0.035 0.000 2.315 2 I HA 0.015 4.191 4.170 0.009 0.000 0.248 2 I C 0.136 176.344 176.117 0.151 0.000 1.117 2 I CA 1.667 63.006 61.300 0.066 0.000 1.404 2 I CB -0.075 37.958 38.000 0.054 0.000 1.071 2 I HN 0.554 nan 8.210 nan 0.000 0.419 3 Y N 0.121 120.397 120.300 -0.040 0.000 2.592 3 Y HA 0.474 5.029 4.550 0.009 0.000 0.334 3 Y C -1.325 174.540 175.900 -0.058 0.000 1.136 3 Y CA -1.666 56.405 58.100 -0.049 0.000 1.042 3 Y CB 1.454 39.879 38.460 -0.058 0.000 1.325 3 Y HN -0.016 nan 8.280 nan 0.000 0.457 4 E N 3.040 122.714 120.200 -0.877 0.000 2.367 4 E HA 0.547 4.902 4.350 0.009 0.000 0.292 4 E C -1.258 174.893 176.600 -0.748 0.000 0.900 4 E CA -0.220 55.800 56.400 -0.633 0.000 0.807 4 E CB 0.944 30.463 29.700 -0.301 0.000 1.337 4 E HN 0.970 nan 8.360 nan 0.000 0.394 5 G N 2.351 110.777 108.800 -0.622 0.000 3.122 5 G HA2 0.276 4.241 3.960 0.009 0.000 0.180 5 G HA3 0.276 4.241 3.960 0.009 0.000 0.180 5 G C -0.038 174.738 174.900 -0.206 0.000 1.279 5 G CA -0.393 44.479 45.100 -0.380 0.000 0.987 5 G HN 0.347 nan 8.290 nan 0.000 0.589 6 K N -0.685 119.637 120.400 -0.130 0.000 2.355 6 K HA 0.491 4.817 4.320 0.009 0.000 0.198 6 K C 1.239 177.793 176.600 -0.078 0.000 1.039 6 K CA 0.751 56.983 56.287 -0.091 0.000 1.075 6 K CB 1.311 33.772 32.500 -0.064 0.000 0.870 6 K HN 0.346 nan 8.250 nan 0.000 0.540 7 A N -0.157 122.613 122.820 -0.084 0.000 2.530 7 A HA 0.406 4.731 4.320 0.009 0.000 0.214 7 A C 0.016 177.545 177.584 -0.091 0.000 1.352 7 A CA -0.154 51.843 52.037 -0.066 0.000 1.035 7 A CB 0.595 19.564 19.000 -0.052 0.000 1.296 7 A HN 0.080 nan 8.150 nan 0.000 0.563 8 I N 1.058 121.544 120.570 -0.141 0.000 2.619 8 I HA 0.434 4.609 4.170 0.009 0.000 0.292 8 I C -0.760 175.245 176.117 -0.186 0.000 1.100 8 I CA -0.564 60.599 61.300 -0.229 0.000 1.043 8 I CB 2.654 40.495 38.000 -0.264 0.000 1.239 8 I HN 0.141 nan 8.210 nan 0.000 0.420 9 T N 2.095 116.546 114.554 -0.172 0.000 2.881 9 T HA 0.599 4.954 4.350 0.009 0.000 0.291 9 T C -0.761 173.901 174.700 -0.063 0.000 0.990 9 T CA -0.703 61.322 62.100 -0.125 0.000 0.976 9 T CB 1.453 70.255 68.868 -0.110 0.000 0.970 9 T HN 0.177 nan 8.240 nan 0.000 0.438 10 V N 4.121 124.042 119.914 0.012 0.000 2.277 10 V HA 0.411 4.537 4.120 0.009 0.000 0.269 10 V C 0.375 176.483 176.094 0.024 0.000 1.036 10 V CA -0.508 61.814 62.300 0.037 0.000 0.821 10 V CB 0.530 32.416 31.823 0.105 0.000 1.052 10 V HN 1.083 nan 8.190 nan 0.000 0.462 11 T N 4.127 118.684 114.554 0.006 0.000 2.829 11 T HA 0.679 5.034 4.350 0.009 0.000 0.282 11 T C 0.484 175.189 174.700 0.008 0.000 0.990 11 T CA -0.181 61.921 62.100 0.003 0.000 1.028 11 T CB 1.746 70.611 68.868 -0.005 0.000 0.951 11 T HN 0.805 nan 8.240 nan 0.000 0.460 12 A N 3.167 125.991 122.820 0.006 0.000 2.351 12 A HA 0.752 5.078 4.320 0.009 0.000 0.257 12 A C -0.201 177.385 177.584 0.002 0.000 1.087 12 A CA -0.354 51.686 52.037 0.004 0.000 0.798 12 A CB 0.108 19.109 19.000 0.002 0.000 1.033 12 A HN 0.841 nan 8.150 nan 0.000 0.488 13 L N -0.695 120.528 121.223 0.000 0.000 2.192 13 L HA 0.425 4.770 4.340 0.009 0.000 0.250 13 L C 0.442 177.309 176.870 -0.005 0.000 1.114 13 L CA -1.036 53.803 54.840 -0.001 0.000 1.065 13 L CB 1.023 43.082 42.059 0.001 0.000 1.609 13 L HN 0.956 nan 8.230 nan 0.000 0.495 14 E N -1.022 119.174 120.200 -0.006 0.000 2.391 14 E HA 0.163 4.519 4.350 0.009 0.000 0.255 14 E C -0.158 176.434 176.600 -0.013 0.000 1.187 14 E CA -0.122 56.272 56.400 -0.009 0.000 0.941 14 E CB 0.673 30.368 29.700 -0.009 0.000 1.010 14 E HN 0.495 nan 8.360 nan 0.000 0.458 15 S N 0.660 116.351 115.700 -0.014 0.000 3.477 15 S HA -0.243 4.232 4.470 0.009 0.000 0.357 15 S C 1.099 175.687 174.600 -0.020 0.000 1.083 15 S CA 0.946 59.136 58.200 -0.017 0.000 1.042 15 S CB -1.910 61.278 63.200 -0.021 0.000 0.911 15 S HN 1.270 nan 8.310 nan 0.000 0.490 16 G N -0.195 108.595 108.800 -0.017 0.000 2.267 16 G HA2 -0.343 3.622 3.960 0.009 0.000 0.257 16 G HA3 -0.343 3.622 3.960 0.009 0.000 0.257 16 G C 0.210 175.097 174.900 -0.022 0.000 0.998 16 G CA 0.236 45.324 45.100 -0.019 0.000 0.620 16 G HN 0.765 nan 8.290 nan 0.000 0.529 17 I N 0.932 121.487 120.570 -0.024 0.000 2.775 17 I HA 0.337 4.513 4.170 0.009 0.000 0.290 17 I C 0.669 176.781 176.117 -0.009 0.000 1.203 17 I CA 0.200 61.486 61.300 -0.024 0.000 1.433 17 I CB 1.165 39.150 38.000 -0.025 0.000 1.354 17 I HN 0.053 nan 8.210 nan 0.000 0.579 18 V N 6.762 126.675 119.914 -0.002 0.000 2.656 18 V HA 0.362 4.487 4.120 0.009 0.000 0.307 18 V C -0.424 175.689 176.094 0.031 0.000 1.051 18 V CA -0.435 61.872 62.300 0.012 0.000 0.893 18 V CB 1.945 33.775 31.823 0.011 0.000 0.999 18 V HN 0.851 nan 8.190 nan 0.000 0.426 19 E N 4.771 124.989 120.200 0.031 0.000 2.216 19 E HA 0.475 4.830 4.350 0.009 0.000 0.279 19 E C -1.326 175.293 176.600 0.033 0.000 0.997 19 E CA -0.685 55.741 56.400 0.044 0.000 0.817 19 E CB 1.758 31.480 29.700 0.036 0.000 1.096 19 E HN 0.741 nan 8.360 nan 0.000 0.393 20 L N 5.322 126.568 121.223 0.039 0.000 2.337 20 L HA 0.408 4.753 4.340 0.009 0.000 0.269 20 L C -0.820 175.990 176.870 -0.100 0.000 1.018 20 L CA -0.483 54.332 54.840 -0.041 0.000 0.876 20 L CB 0.566 42.610 42.059 -0.025 0.000 1.236 20 L HN 0.423 nan 8.230 nan 0.000 0.436 21 K N 3.958 124.289 120.400 -0.115 0.000 2.156 21 K HA 0.344 4.669 4.320 0.009 0.000 0.271 21 K C -1.167 175.308 176.600 -0.209 0.000 0.995 21 K CA -0.537 55.705 56.287 -0.075 0.000 0.890 21 K CB 0.902 33.396 32.500 -0.011 0.000 1.073 21 K HN 0.383 nan 8.250 nan 0.000 0.454 22 F N 3.298 123.196 119.950 -0.085 0.000 2.377 22 F HA 0.146 4.678 4.527 0.009 0.000 0.360 22 F C 0.015 175.726 175.800 -0.148 0.000 1.147 22 F CA -0.256 57.637 58.000 -0.177 0.000 1.170 22 F CB 0.697 39.496 39.000 -0.333 0.000 1.339 22 F HN 0.443 nan 8.300 nan 0.000 0.552 23 D N 4.225 124.628 120.400 0.005 0.000 2.389 23 D HA 0.143 4.788 4.640 0.009 0.000 0.256 23 D C -1.143 175.140 176.300 -0.030 0.000 1.239 23 D CA -0.516 53.478 54.000 -0.010 0.000 0.925 23 D CB 1.015 41.803 40.800 -0.020 0.000 1.145 23 D HN 0.243 nan 8.370 nan 0.000 0.542 24 L N 4.517 125.724 121.223 -0.027 0.000 2.462 24 L HA 0.244 4.590 4.340 0.009 0.000 0.283 24 L C -0.020 176.832 176.870 -0.031 0.000 1.166 24 L CA -0.322 54.496 54.840 -0.036 0.000 0.964 24 L CB -0.233 41.801 42.059 -0.040 0.000 1.294 24 L HN 0.081 nan 8.230 nan 0.000 0.449 25 K N 4.081 124.460 120.400 -0.035 0.000 2.489 25 K HA 0.316 4.641 4.320 0.009 0.000 0.278 25 K C 1.181 177.767 176.600 -0.024 0.000 1.000 25 K CA 0.664 56.933 56.287 -0.030 0.000 1.012 25 K CB 0.138 32.616 32.500 -0.037 0.000 0.903 25 K HN 0.857 nan 8.250 nan 0.000 0.485 26 G N 2.101 110.891 108.800 -0.018 0.000 2.527 26 G HA2 -0.225 3.740 3.960 0.009 0.000 0.218 26 G HA3 -0.225 3.740 3.960 0.009 0.000 0.218 26 G C 0.044 174.938 174.900 -0.010 0.000 1.177 26 G CA -0.205 44.886 45.100 -0.014 0.000 0.695 26 G HN 0.535 nan 8.290 nan 0.000 0.517 27 E N 0.778 120.971 120.200 -0.011 0.000 2.322 27 E HA 0.567 4.923 4.350 0.009 0.000 0.257 27 E C 1.690 178.286 176.600 -0.006 0.000 1.155 27 E CA 0.299 56.695 56.400 -0.008 0.000 0.936 27 E CB 1.221 30.915 29.700 -0.010 0.000 1.130 27 E HN 0.507 nan 8.360 nan 0.000 0.465 28 S N -0.899 114.800 115.700 -0.002 0.000 2.404 28 S HA 0.016 4.491 4.470 0.009 0.000 0.223 28 S C 1.247 175.847 174.600 -0.001 0.000 1.040 28 S CA 0.575 58.776 58.200 0.002 0.000 0.957 28 S CB -0.366 62.838 63.200 0.007 0.000 0.826 28 S HN 0.363 nan 8.310 nan 0.000 0.491 29 V N -0.770 119.140 119.914 -0.006 0.000 3.229 29 V HA 0.651 4.777 4.120 0.009 0.000 0.310 29 V C -0.940 175.129 176.094 -0.041 0.000 1.206 29 V CA -1.371 60.920 62.300 -0.016 0.000 1.051 29 V CB 1.106 32.925 31.823 -0.008 0.000 1.183 29 V HN 0.262 nan 8.190 nan 0.000 0.466 30 N N 1.879 120.533 118.700 -0.076 0.000 2.314 30 N HA 0.618 5.364 4.740 0.009 0.000 0.304 30 N C -1.354 174.069 175.510 -0.146 0.000 1.073 30 N CA -0.558 52.409 53.050 -0.138 0.000 0.822 30 N CB 2.148 40.498 38.487 -0.229 0.000 1.280 30 N HN 0.938 nan 8.380 nan 0.000 0.489 31 K N 0.141 120.445 120.400 -0.161 0.000 2.597 31 K HA 0.294 4.619 4.320 0.009 0.000 0.282 31 K C -1.603 174.920 176.600 -0.127 0.000 0.975 31 K CA -0.546 55.701 56.287 -0.067 0.000 0.867 31 K CB 0.320 32.845 32.500 0.041 0.000 1.465 31 K HN 0.202 nan 8.250 nan 0.000 0.417 32 F N 3.003 122.904 119.950 -0.082 0.000 2.619 32 F HA 0.150 4.682 4.527 0.009 0.000 0.350 32 F C 0.794 176.582 175.800 -0.020 0.000 1.259 32 F CA -0.176 57.769 58.000 -0.092 0.000 1.204 32 F CB -0.411 38.460 39.000 -0.214 0.000 1.556 32 F HN 0.567 nan 8.300 nan 0.000 0.650 33 N N 0.205 118.943 118.700 0.063 0.000 2.443 33 N HA 0.247 4.993 4.740 0.009 0.000 0.294 33 N C 1.300 176.844 175.510 0.057 0.000 1.289 33 N CA -0.694 52.396 53.050 0.066 0.000 0.966 33 N CB 0.416 38.922 38.487 0.032 0.000 1.122 33 N HN 0.149 nan 8.380 nan 0.000 0.569 34 R N -1.160 119.364 120.500 0.040 0.000 2.092 34 R HA 0.056 4.402 4.340 0.009 0.000 0.231 34 R C 1.699 178.013 176.300 0.023 0.000 1.119 34 R CA 0.907 57.029 56.100 0.035 0.000 0.970 34 R CB -1.079 29.235 30.300 0.024 0.000 0.864 34 R HN 0.678 nan 8.270 nan 0.000 0.440 35 L N -0.113 121.116 121.223 0.009 0.000 1.988 35 L HA -0.083 4.262 4.340 0.009 0.000 0.207 35 L C 1.787 178.649 176.870 -0.013 0.000 1.071 35 L CA 2.344 57.183 54.840 -0.002 0.000 0.744 35 L CB -1.106 40.947 42.059 -0.010 0.000 0.893 35 L HN 0.227 nan 8.230 nan 0.000 0.433 36 T N 0.281 114.809 114.554 -0.044 0.000 2.699 36 T HA -0.228 4.128 4.350 0.009 0.000 0.268 36 T C 1.997 176.656 174.700 -0.068 0.000 1.036 36 T CA 2.005 64.048 62.100 -0.095 0.000 1.147 36 T CB -0.480 68.239 68.868 -0.249 0.000 0.862 36 T HN 0.303 nan 8.240 nan 0.000 0.446 37 L N 0.803 122.023 121.223 -0.005 0.000 2.079 37 L HA -0.134 4.212 4.340 0.009 0.000 0.210 37 L C 2.412 179.281 176.870 -0.002 0.000 1.081 37 L CA 1.432 56.297 54.840 0.042 0.000 0.752 37 L CB -0.630 41.488 42.059 0.098 0.000 0.896 37 L HN 0.394 nan 8.230 nan 0.000 0.433 38 N N -0.730 117.973 118.700 0.005 0.000 2.250 38 N HA -0.143 4.603 4.740 0.009 0.000 0.181 38 N C 1.639 177.148 175.510 -0.002 0.000 1.017 38 N CA 0.728 53.779 53.050 0.002 0.000 0.866 38 N CB 0.079 38.575 38.487 0.015 0.000 0.985 38 N HN 0.392 nan 8.380 nan 0.000 0.429 39 E N 1.124 121.336 120.200 0.021 0.000 2.106 39 E HA -0.114 4.241 4.350 0.009 0.000 0.192 39 E C 2.031 178.615 176.600 -0.027 0.000 0.984 39 E CA 0.465 56.921 56.400 0.093 0.000 0.806 39 E CB 0.005 29.782 29.700 0.129 0.000 0.750 39 E HN 0.329 nan 8.360 nan 0.000 0.458 40 L N 0.990 122.170 121.223 -0.071 0.000 2.093 40 L HA -0.175 4.170 4.340 0.009 0.000 0.208 40 L C 2.638 179.412 176.870 -0.159 0.000 1.085 40 L CA 0.891 55.653 54.840 -0.131 0.000 0.755 40 L CB -0.021 41.984 42.059 -0.089 0.000 0.904 40 L HN 0.005 nan 8.230 nan 0.000 0.435 41 R N 0.088 120.512 120.500 -0.127 0.000 2.080 41 R HA -0.218 4.128 4.340 0.009 0.000 0.236 41 R C 2.192 178.396 176.300 -0.160 0.000 1.137 41 R CA 2.028 58.061 56.100 -0.112 0.000 0.943 41 R CB -0.474 29.786 30.300 -0.067 0.000 0.846 41 R HN 0.454 nan 8.270 nan 0.000 0.431 42 Q N -0.580 119.089 119.800 -0.219 0.000 2.079 42 Q HA -0.055 4.290 4.340 0.009 0.000 0.200 42 Q C 2.160 177.806 176.000 -0.590 0.000 0.974 42 Q CA 1.541 57.141 55.803 -0.339 0.000 0.840 42 Q CB -0.229 28.326 28.738 -0.305 0.000 0.898 42 Q HN 0.482 nan 8.270 nan 0.000 0.430 43 A N 0.594 122.946 122.820 -0.779 0.000 1.883 43 A HA -0.172 4.153 4.320 0.009 0.000 0.217 43 A C 2.371 179.785 177.584 -0.284 0.000 1.186 43 A CA 1.594 53.214 52.037 -0.695 0.000 0.624 43 A CB -0.856 17.892 19.000 -0.419 0.000 0.822 43 A HN 0.212 nan 8.150 nan 0.000 0.444 44 V N 0.870 120.687 119.914 -0.161 0.000 2.295 44 V HA -0.252 3.873 4.120 0.009 0.000 0.246 44 V C 2.063 178.116 176.094 -0.067 0.000 1.049 44 V CA 2.274 64.555 62.300 -0.032 0.000 1.024 44 V CB -0.853 30.984 31.823 0.023 0.000 0.648 44 V HN 0.540 nan 8.190 nan 0.000 0.447 45 D N 0.221 120.560 120.400 -0.102 0.000 2.263 45 D HA -0.104 4.541 4.640 0.009 0.000 0.208 45 D C 2.089 178.336 176.300 -0.088 0.000 0.971 45 D CA 1.459 55.410 54.000 -0.082 0.000 0.867 45 D CB -0.032 40.718 40.800 -0.082 0.000 0.929 45 D HN 0.498 nan 8.370 nan 0.000 0.492 46 A N 0.779 123.519 122.820 -0.133 0.000 1.874 46 A HA -0.029 4.296 4.320 0.009 0.000 0.214 46 A C 2.271 179.818 177.584 -0.061 0.000 1.189 46 A CA 0.436 52.410 52.037 -0.104 0.000 0.615 46 A CB -0.454 18.452 19.000 -0.158 0.000 0.830 46 A HN 0.146 nan 8.150 nan 0.000 0.443 47 I N -0.636 119.898 120.570 -0.061 0.000 2.676 47 I HA -0.138 4.037 4.170 0.009 0.000 0.259 47 I C 2.276 178.367 176.117 -0.043 0.000 1.194 47 I CA 1.219 62.495 61.300 -0.040 0.000 1.473 47 I CB -0.152 37.831 38.000 -0.029 0.000 1.096 47 I HN 0.273 nan 8.210 nan 0.000 0.443 48 K N 1.261 121.634 120.400 -0.044 0.000 2.439 48 K HA -0.009 4.316 4.320 0.009 0.000 0.197 48 K C 1.821 178.404 176.600 -0.029 0.000 1.041 48 K CA 0.948 57.214 56.287 -0.037 0.000 0.970 48 K CB 0.158 32.639 32.500 -0.031 0.000 0.773 48 K HN 0.341 nan 8.250 nan 0.000 0.479 49 A N 0.057 122.860 122.820 -0.029 0.000 2.026 49 A HA 0.026 4.352 4.320 0.009 0.000 0.201 49 A C 0.229 177.802 177.584 -0.018 0.000 1.318 49 A CA -0.114 51.910 52.037 -0.021 0.000 0.857 49 A CB 0.103 19.090 19.000 -0.021 0.000 0.939 49 A HN 0.252 nan 8.150 nan 0.000 0.476 50 D N 0.998 121.387 120.400 -0.019 0.000 2.412 50 D HA 0.371 5.016 4.640 0.009 0.000 0.257 50 D C 1.006 177.296 176.300 -0.016 0.000 1.217 50 D CA 0.661 54.652 54.000 -0.014 0.000 0.897 50 D CB 1.201 41.994 40.800 -0.012 0.000 1.132 50 D HN 0.207 nan 8.370 nan 0.000 0.493 51 A N 2.942 125.754 122.820 -0.012 0.000 2.169 51 A HA -0.046 4.279 4.320 0.009 0.000 0.212 51 A C 1.878 179.454 177.584 -0.013 0.000 1.153 51 A CA 0.819 52.849 52.037 -0.012 0.000 0.756 51 A CB -0.187 18.808 19.000 -0.009 0.000 0.813 51 A HN 0.544 nan 8.150 nan 0.000 0.471 52 S N -0.612 115.081 115.700 -0.012 0.000 2.603 52 S HA 0.154 4.629 4.470 0.009 0.000 0.220 52 S C 0.437 175.027 174.600 -0.017 0.000 0.967 52 S CA 0.056 58.248 58.200 -0.012 0.000 0.920 52 S CB -0.657 62.538 63.200 -0.009 0.000 0.773 52 S HN 0.097 nan 8.310 nan 0.000 0.529 53 V N 2.587 122.488 119.914 -0.022 0.000 2.637 53 V HA 0.270 4.396 4.120 0.009 0.000 0.296 53 V C 0.817 176.886 176.094 -0.041 0.000 1.046 53 V CA -0.049 62.233 62.300 -0.031 0.000 1.066 53 V CB 0.992 32.793 31.823 -0.037 0.000 0.968 53 V HN 0.311 nan 8.190 nan 0.000 0.483 54 K N 2.543 122.913 120.400 -0.048 0.000 2.477 54 K HA 0.400 4.725 4.320 0.009 0.000 0.208 54 K C 0.362 176.904 176.600 -0.095 0.000 1.117 54 K CA 0.469 56.718 56.287 -0.062 0.000 1.039 54 K CB 1.597 34.069 32.500 -0.047 0.000 0.937 54 K HN 0.908 nan 8.250 nan 0.000 0.570 55 G N 0.102 108.848 108.800 -0.090 0.000 2.377 55 G HA2 0.341 4.306 3.960 0.009 0.000 0.297 55 G HA3 0.341 4.306 3.960 0.009 0.000 0.297 55 G C -1.832 173.033 174.900 -0.058 0.000 1.547 55 G CA -0.619 44.418 45.100 -0.106 0.000 0.833 55 G HN -0.159 nan 8.290 nan 0.000 0.583 56 V N 1.019 120.910 119.914 -0.038 0.000 2.577 56 V HA 0.583 4.708 4.120 0.009 0.000 0.303 56 V C -0.264 175.905 176.094 0.125 0.000 1.042 56 V CA -0.580 61.751 62.300 0.052 0.000 0.872 56 V CB 1.642 33.506 31.823 0.069 0.000 0.998 56 V HN 0.674 nan 8.190 nan 0.000 0.423 57 I N 4.774 125.419 120.570 0.125 0.000 2.382 57 I HA 0.394 4.570 4.170 0.009 0.000 0.285 57 I C -0.426 175.794 176.117 0.172 0.000 1.007 57 I CA -0.789 60.592 61.300 0.135 0.000 1.142 57 I CB 1.900 39.947 38.000 0.079 0.000 1.289 57 I HN 0.287 nan 8.210 nan 0.000 0.453 58 V N 6.078 126.132 119.914 0.233 0.000 2.408 58 V HA 0.314 4.439 4.120 0.009 0.000 0.267 58 V C 0.539 176.825 176.094 0.321 0.000 1.047 58 V CA -0.070 62.397 62.300 0.279 0.000 0.937 58 V CB 0.873 32.907 31.823 0.351 0.000 0.999 58 V HN 0.916 nan 8.190 nan 0.000 0.472 59 S N 3.535 119.417 115.700 0.304 0.000 2.823 59 S HA 0.827 5.303 4.470 0.009 0.000 0.316 59 S C -0.327 174.506 174.600 0.388 0.000 1.116 59 S CA -0.735 57.654 58.200 0.315 0.000 0.911 59 S CB 2.065 65.369 63.200 0.174 0.000 1.276 59 S HN 0.659 nan 8.310 nan 0.000 0.565 60 S N -1.537 114.348 115.700 0.309 0.000 2.547 60 S HA 0.629 5.105 4.470 0.009 0.000 0.281 60 S C 0.643 175.322 174.600 0.133 0.000 1.118 60 S CA -0.201 58.135 58.200 0.226 0.000 0.947 60 S CB 1.074 64.455 63.200 0.302 0.000 1.053 60 S HN 1.087 nan 8.310 nan 0.000 0.482 61 G N 3.430 112.277 108.800 0.079 0.000 2.492 61 G HA2 0.124 4.089 3.960 0.009 0.000 0.214 61 G HA3 0.124 4.089 3.960 0.009 0.000 0.214 61 G C 0.518 175.443 174.900 0.042 0.000 1.147 61 G CA 0.234 45.363 45.100 0.050 0.000 0.809 61 G HN 0.542 nan 8.290 nan 0.000 0.533 62 K N 0.937 121.359 120.400 0.037 0.000 2.273 62 K HA 0.182 4.508 4.320 0.009 0.000 0.240 62 K C 0.906 177.535 176.600 0.049 0.000 1.056 62 K CA -0.427 55.878 56.287 0.029 0.000 0.910 62 K CB 0.368 32.874 32.500 0.010 0.000 1.196 62 K HN -0.069 nan 8.250 nan 0.000 0.509 63 D N 0.483 120.908 120.400 0.042 0.000 2.077 63 D HA -0.102 4.543 4.640 0.009 0.000 0.197 63 D C 0.956 177.300 176.300 0.074 0.000 0.983 63 D CA 1.211 55.242 54.000 0.052 0.000 0.841 63 D CB -0.329 40.495 40.800 0.040 0.000 0.992 63 D HN 0.355 nan 8.370 nan 0.000 0.450 64 V N -0.908 119.046 119.914 0.067 0.000 3.237 64 V HA 0.046 4.171 4.120 0.009 0.000 0.305 64 V C 1.247 177.421 176.094 0.133 0.000 1.096 64 V CA -0.662 61.694 62.300 0.094 0.000 1.130 64 V CB 0.490 32.351 31.823 0.064 0.000 1.048 64 V HN 0.007 nan 8.190 nan 0.000 0.484 65 F N 2.344 122.305 119.950 0.019 0.000 2.090 65 F HA 0.459 4.992 4.527 0.009 0.000 0.281 65 F C 0.795 176.580 175.800 -0.025 0.000 1.157 65 F CA 0.675 58.684 58.000 0.014 0.000 1.130 65 F CB 0.218 39.231 39.000 0.022 0.000 1.034 65 F HN 0.421 nan 8.300 nan 0.000 0.491 66 I N 1.428 121.890 120.570 -0.180 0.000 2.586 66 I HA 0.266 4.441 4.170 0.009 0.000 0.288 66 I C -0.961 175.157 176.117 0.002 0.000 1.147 66 I CA -0.943 60.183 61.300 -0.289 0.000 1.047 66 I CB 1.907 39.553 38.000 -0.590 0.000 1.244 66 I HN 0.082 nan 8.210 nan 0.000 0.429 67 V N 2.338 122.255 119.914 0.005 0.000 3.302 67 V HA 0.860 4.986 4.120 0.009 0.000 0.316 67 V C 0.782 176.935 176.094 0.098 0.000 1.111 67 V CA -0.541 61.793 62.300 0.056 0.000 1.029 67 V CB 1.263 33.106 31.823 0.032 0.000 1.170 67 V HN 0.739 nan 8.190 nan 0.000 0.452 68 G N -0.255 108.607 108.800 0.103 0.000 2.614 68 G HA2 0.488 4.453 3.960 0.009 0.000 0.239 68 G HA3 0.488 4.453 3.960 0.009 0.000 0.239 68 G C 0.291 175.326 174.900 0.225 0.000 1.240 68 G CA 0.031 45.243 45.100 0.186 0.000 0.842 68 G HN 1.592 nan 8.290 nan 0.000 0.584 69 A N 0.892 123.962 122.820 0.417 0.000 2.409 69 A HA 0.307 4.633 4.320 0.009 0.000 0.246 69 A C 0.566 178.371 177.584 0.368 0.000 1.099 69 A CA -0.307 51.970 52.037 0.399 0.000 0.789 69 A CB 0.147 19.401 19.000 0.422 0.000 1.053 69 A HN 0.677 nan 8.150 nan 0.000 0.503 70 D N 0.292 120.841 120.400 0.249 0.000 2.487 70 D HA -0.021 4.624 4.640 0.009 0.000 0.243 70 D C 1.117 177.547 176.300 0.216 0.000 1.154 70 D CA 0.184 54.281 54.000 0.160 0.000 0.876 70 D CB 0.692 41.561 40.800 0.116 0.000 1.161 70 D HN 0.456 nan 8.370 nan 0.000 0.478 71 I N 3.036 123.609 120.570 0.004 0.000 2.423 71 I HA -0.272 3.904 4.170 0.009 0.000 0.254 71 I C 1.962 178.137 176.117 0.098 0.000 1.151 71 I CA 1.655 62.887 61.300 -0.113 0.000 1.421 71 I CB -0.116 37.797 38.000 -0.145 0.000 1.079 71 I HN 0.316 nan 8.210 nan 0.000 0.431 72 T N 0.204 114.820 114.554 0.103 0.000 2.708 72 T HA -0.178 4.178 4.350 0.009 0.000 0.266 72 T C 1.721 176.486 174.700 0.109 0.000 1.037 72 T CA 1.808 63.966 62.100 0.096 0.000 1.146 72 T CB -0.302 68.608 68.868 0.069 0.000 0.865 72 T HN 0.490 nan 8.240 nan 0.000 0.435 73 E N 0.044 120.324 120.200 0.134 0.000 2.204 73 E HA -0.039 4.316 4.350 0.009 0.000 0.194 73 E C 1.762 178.348 176.600 -0.022 0.000 0.989 73 E CA 0.537 56.974 56.400 0.062 0.000 0.824 73 E CB -0.216 29.518 29.700 0.057 0.000 0.756 73 E HN 0.413 nan 8.360 nan 0.000 0.477 74 F N 0.585 120.428 119.950 -0.177 0.000 2.046 74 F HA -0.247 4.285 4.527 0.008 0.000 0.297 74 F C 2.374 177.849 175.800 -0.542 0.000 1.123 74 F CA 1.021 58.760 58.000 -0.436 0.000 1.199 74 F CB -0.888 38.050 39.000 -0.103 0.000 0.972 74 F HN -0.139 nan 8.300 nan 0.000 0.474 75 V N 0.073 120.047 119.914 0.101 0.000 2.282 75 V HA -0.318 3.807 4.120 0.009 0.000 0.249 75 V C 2.127 178.238 176.094 0.029 0.000 1.057 75 V CA 2.233 64.616 62.300 0.139 0.000 1.032 75 V CB -0.866 31.040 31.823 0.138 0.000 0.645 75 V HN 0.364 nan 8.190 nan 0.000 0.447 76 E N 0.397 120.588 120.200 -0.016 0.000 2.160 76 E HA -0.237 4.119 4.350 0.009 0.000 0.195 76 E C 1.969 178.525 176.600 -0.074 0.000 0.991 76 E CA 1.575 57.961 56.400 -0.025 0.000 0.810 76 E CB -0.267 29.422 29.700 -0.018 0.000 0.742 76 E HN 0.637 nan 8.360 nan 0.000 0.466 77 N N -0.205 118.368 118.700 -0.212 0.000 2.376 77 N HA -0.039 4.706 4.740 0.009 0.000 0.177 77 N C 0.575 175.987 175.510 -0.163 0.000 1.024 77 N CA 0.558 53.452 53.050 -0.260 0.000 0.893 77 N CB 0.093 38.307 38.487 -0.456 0.000 0.980 77 N HN 0.056 nan 8.380 nan 0.000 0.439 78 F N 0.651 120.600 119.950 -0.000 0.000 2.693 78 F HA 0.254 4.786 4.527 0.008 0.000 0.303 78 F C 1.329 177.118 175.800 -0.019 0.000 1.143 78 F CA 0.073 58.058 58.000 -0.026 0.000 1.389 78 F CB -0.085 38.895 39.000 -0.032 0.000 1.060 78 F HN -0.022 nan 8.300 nan 0.000 0.535 79 K N -0.418 120.059 120.400 0.129 0.000 2.399 79 K HA 0.242 4.567 4.320 0.009 0.000 0.196 79 K C 0.623 177.257 176.600 0.056 0.000 1.117 79 K CA 0.044 56.380 56.287 0.081 0.000 0.965 79 K CB 0.471 33.005 32.500 0.058 0.000 0.983 79 K HN 0.133 nan 8.250 nan 0.000 0.531 80 L N 2.920 124.173 121.223 0.050 0.000 2.499 80 L HA 0.091 4.436 4.340 0.009 0.000 0.281 80 L C -2.210 174.685 176.870 0.041 0.000 1.234 80 L CA -1.847 53.015 54.840 0.037 0.000 0.839 80 L CB -0.564 41.513 42.059 0.029 0.000 1.104 80 L HN -0.203 nan 8.230 nan 0.000 0.500 81 P HA 0.031 nan 4.420 nan 0.000 0.269 81 P C -0.277 177.042 177.300 0.032 0.000 1.209 81 P CA -0.113 63.003 63.100 0.027 0.000 0.776 81 P CB 0.523 32.236 31.700 0.021 0.000 0.876 82 D N 1.734 122.150 120.400 0.026 0.000 2.133 82 D HA -0.224 4.422 4.640 0.009 0.000 0.195 82 D C 1.940 178.260 176.300 0.033 0.000 0.997 82 D CA 2.131 56.148 54.000 0.028 0.000 0.840 82 D CB -0.549 40.260 40.800 0.016 0.000 0.947 82 D HN 0.371 nan 8.370 nan 0.000 0.452 83 A N 0.607 123.443 122.820 0.026 0.000 1.902 83 A HA -0.227 4.099 4.320 0.009 0.000 0.217 83 A C 1.996 179.597 177.584 0.028 0.000 1.181 83 A CA 1.551 53.603 52.037 0.025 0.000 0.623 83 A CB -0.499 18.513 19.000 0.019 0.000 0.818 83 A HN 0.226 nan 8.150 nan 0.000 0.443 84 E N -0.963 119.254 120.200 0.029 0.000 2.208 84 E HA -0.085 4.271 4.350 0.009 0.000 0.193 84 E C 1.877 178.499 176.600 0.036 0.000 0.988 84 E CA 0.792 57.209 56.400 0.029 0.000 0.828 84 E CB -0.144 29.571 29.700 0.025 0.000 0.763 84 E HN 0.515 nan 8.360 nan 0.000 0.478 85 L N 1.080 122.332 121.223 0.049 0.000 2.023 85 L HA -0.107 4.238 4.340 0.009 0.000 0.205 85 L C 2.044 178.956 176.870 0.071 0.000 1.073 85 L CA 1.482 56.365 54.840 0.071 0.000 0.745 85 L CB -0.209 41.914 42.059 0.107 0.000 0.900 85 L HN 0.070 nan 8.230 nan 0.000 0.435 86 I N -0.114 120.494 120.570 0.065 0.000 2.264 86 I HA -0.315 3.860 4.170 0.009 0.000 0.248 86 I C 2.529 178.667 176.117 0.035 0.000 1.111 86 I CA 1.197 62.528 61.300 0.052 0.000 1.382 86 I CB -0.710 37.318 38.000 0.046 0.000 1.060 86 I HN 0.382 nan 8.210 nan 0.000 0.418 87 A N 0.888 123.729 122.820 0.035 0.000 2.015 87 A HA -0.074 4.251 4.320 0.009 0.000 0.219 87 A C 2.421 180.026 177.584 0.036 0.000 1.163 87 A CA 1.677 53.733 52.037 0.032 0.000 0.646 87 A CB -1.175 17.842 19.000 0.028 0.000 0.806 87 A HN 0.469 nan 8.150 nan 0.000 0.448 88 G N -0.164 108.658 108.800 0.037 0.000 2.422 88 G HA2 -0.193 3.773 3.960 0.009 0.000 0.218 88 G HA3 -0.193 3.773 3.960 0.009 0.000 0.218 88 G C 1.349 176.280 174.900 0.052 0.000 1.140 88 G CA 0.917 46.043 45.100 0.042 0.000 0.775 88 G HN 0.566 nan 8.290 nan 0.000 0.545 89 N N 0.065 118.772 118.700 0.013 0.000 2.368 89 N HA 0.011 4.757 4.740 0.009 0.000 0.176 89 N C 1.982 177.508 175.510 0.028 0.000 1.021 89 N CA 0.225 53.258 53.050 -0.029 0.000 0.888 89 N CB -0.094 38.277 38.487 -0.193 0.000 0.995 89 N HN 0.221 nan 8.380 nan 0.000 0.437 90 L N 2.025 123.266 121.223 0.030 0.000 2.083 90 L HA -0.087 4.258 4.340 0.009 0.000 0.209 90 L C 2.144 179.055 176.870 0.068 0.000 1.083 90 L CA 1.736 56.601 54.840 0.042 0.000 0.752 90 L CB -0.339 41.740 42.059 0.033 0.000 0.899 90 L HN 0.160 nan 8.230 nan 0.000 0.433 91 E N -1.278 118.966 120.200 0.073 0.000 2.230 91 E HA -0.082 4.273 4.350 0.009 0.000 0.192 91 E C 2.045 178.718 176.600 0.120 0.000 0.987 91 E CA 0.670 57.117 56.400 0.080 0.000 0.841 91 E CB 0.029 29.765 29.700 0.061 0.000 0.783 91 E HN 0.581 nan 8.360 nan 0.000 0.481 92 A N 1.587 124.511 122.820 0.172 0.000 1.855 92 A HA -0.165 4.161 4.320 0.009 0.000 0.215 92 A C 1.953 179.793 177.584 0.427 0.000 1.191 92 A CA 1.323 53.538 52.037 0.297 0.000 0.613 92 A CB -0.594 18.671 19.000 0.441 0.000 0.829 92 A HN 0.241 nan 8.150 nan 0.000 0.442 93 N N 0.008 118.923 118.700 0.359 0.000 2.272 93 N HA -0.135 4.610 4.740 0.009 0.000 0.185 93 N C 1.486 177.185 175.510 0.315 0.000 1.014 93 N CA 1.012 54.278 53.050 0.359 0.000 0.870 93 N CB -0.197 38.378 38.487 0.146 0.000 0.975 93 N HN 0.308 nan 8.380 nan 0.000 0.433 94 K N 1.338 121.859 120.400 0.202 0.000 2.103 94 K HA -0.032 4.294 4.320 0.009 0.000 0.207 94 K C 2.127 178.804 176.600 0.129 0.000 1.048 94 K CA 0.509 56.878 56.287 0.137 0.000 0.930 94 K CB -0.409 32.144 32.500 0.088 0.000 0.716 94 K HN 0.292 nan 8.250 nan 0.000 0.444 95 I N 0.022 120.651 120.570 0.097 0.000 2.099 95 I HA -0.298 3.878 4.170 0.009 0.000 0.239 95 I C 2.145 178.250 176.117 -0.021 0.000 1.066 95 I CA 1.507 62.783 61.300 -0.041 0.000 1.324 95 I CB -0.520 37.337 38.000 -0.238 0.000 1.037 95 I HN -0.037 nan 8.210 nan 0.000 0.401 96 F N 0.949 120.958 119.950 0.097 0.000 2.134 96 F HA -0.200 4.333 4.527 0.009 0.000 0.299 96 F C 2.834 178.733 175.800 0.165 0.000 1.097 96 F CA 1.447 59.517 58.000 0.118 0.000 1.264 96 F CB -1.063 37.969 39.000 0.053 0.000 1.001 96 F HN -0.052 nan 8.300 nan 0.000 0.479 97 S N -0.267 115.624 115.700 0.319 0.000 2.383 97 S HA -0.207 4.269 4.470 0.009 0.000 0.229 97 S C 1.719 176.423 174.600 0.172 0.000 1.030 97 S CA 1.508 59.834 58.200 0.210 0.000 1.002 97 S CB -0.414 62.877 63.200 0.152 0.000 0.829 97 S HN 0.384 nan 8.310 nan 0.000 0.467 98 D N 0.296 120.788 120.400 0.154 0.000 2.117 98 D HA -0.062 4.583 4.640 0.009 0.000 0.197 98 D C 1.552 177.932 176.300 0.132 0.000 0.987 98 D CA 0.825 54.891 54.000 0.110 0.000 0.829 98 D CB -0.229 40.617 40.800 0.077 0.000 0.961 98 D HN 0.408 nan 8.370 nan 0.000 0.460 99 F N 1.627 121.609 119.950 0.053 0.000 2.365 99 F HA -0.072 4.460 4.527 0.009 0.000 0.300 99 F C 2.210 178.065 175.800 0.091 0.000 1.090 99 F CA 0.977 59.014 58.000 0.063 0.000 1.408 99 F CB 0.214 39.261 39.000 0.077 0.000 1.060 99 F HN -0.125 nan 8.300 nan 0.000 0.534 100 E N -0.243 120.101 120.200 0.240 0.000 2.086 100 E HA -0.158 4.197 4.350 0.009 0.000 0.190 100 E C 1.197 177.838 176.600 0.068 0.000 0.975 100 E CA 1.120 57.620 56.400 0.167 0.000 0.813 100 E CB -0.093 29.721 29.700 0.190 0.000 0.768 100 E HN 0.352 nan 8.360 nan 0.000 0.457 101 D N 0.809 121.245 120.400 0.060 0.000 2.349 101 D HA -0.038 4.607 4.640 0.009 0.000 0.224 101 D C 0.208 176.512 176.300 0.007 0.000 1.029 101 D CA 0.034 54.057 54.000 0.037 0.000 0.879 101 D CB 0.058 40.883 40.800 0.040 0.000 0.906 101 D HN 0.132 nan 8.370 nan 0.000 0.528 102 L N 1.926 123.120 121.223 -0.048 0.000 2.584 102 L HA -0.053 4.293 4.340 0.009 0.000 0.272 102 L C 0.552 177.399 176.870 -0.039 0.000 1.195 102 L CA 0.073 54.854 54.840 -0.098 0.000 0.920 102 L CB 0.089 41.985 42.059 -0.272 0.000 1.173 102 L HN -0.225 nan 8.230 nan 0.000 0.489 103 N N 3.946 122.642 118.700 -0.006 0.000 3.027 103 N HA 0.280 5.025 4.740 0.009 0.000 0.309 103 N C -1.146 174.383 175.510 0.031 0.000 1.222 103 N CA 0.132 53.216 53.050 0.056 0.000 1.187 103 N CB -0.105 38.408 38.487 0.043 0.000 1.458 103 N HN 0.413 nan 8.380 nan 0.000 0.535 104 V N 1.884 121.785 119.914 -0.022 0.000 3.088 104 V HA 0.345 4.471 4.120 0.009 0.000 0.272 104 V C -2.671 173.171 176.094 -0.420 0.000 1.611 104 V CA -1.612 60.559 62.300 -0.215 0.000 0.990 104 V CB 2.075 33.795 31.823 -0.170 0.000 1.234 104 V HN 0.229 nan 8.190 nan 0.000 0.453 105 P HA 0.312 nan 4.420 nan 0.000 0.267 105 P C -0.974 176.202 177.300 -0.207 0.000 1.205 105 P CA 0.361 63.102 63.100 -0.597 0.000 0.765 105 P CB 0.376 31.712 31.700 -0.607 0.000 0.828 106 T N 0.086 114.628 114.554 -0.019 0.000 2.861 106 T HA 0.687 5.043 4.350 0.009 0.000 0.287 106 T C -0.739 174.114 174.700 0.255 0.000 1.003 106 T CA -0.719 61.429 62.100 0.081 0.000 0.977 106 T CB 0.891 69.757 68.868 -0.004 0.000 0.996 106 T HN 0.031 nan 8.240 nan 0.000 0.448 107 V N 1.491 121.551 119.914 0.243 0.000 2.841 107 V HA 0.837 4.963 4.120 0.009 0.000 0.310 107 V C -0.117 176.108 176.094 0.219 0.000 1.090 107 V CA -1.145 61.301 62.300 0.244 0.000 0.930 107 V CB 1.987 33.899 31.823 0.149 0.000 1.014 107 V HN 1.330 nan 8.190 nan 0.000 0.425 108 A N 2.802 125.729 122.820 0.179 0.000 2.288 108 A HA 0.850 5.176 4.320 0.009 0.000 0.320 108 A C 0.196 177.791 177.584 0.019 0.000 1.217 108 A CA -0.204 51.901 52.037 0.112 0.000 0.840 108 A CB 1.164 20.201 19.000 0.061 0.000 1.179 108 A HN 1.447 nan 8.150 nan 0.000 0.504 109 A N 3.800 126.632 122.820 0.019 0.000 2.774 109 A HA 0.533 4.859 4.320 0.009 0.000 0.326 109 A C -0.044 177.470 177.584 -0.118 0.000 1.478 109 A CA -0.344 51.688 52.037 -0.008 0.000 1.099 109 A CB -0.774 18.262 19.000 0.059 0.000 1.148 109 A HN 0.739 nan 8.150 nan 0.000 0.519 110 I N 3.322 123.745 120.570 -0.244 0.000 2.460 110 I HA -0.041 4.135 4.170 0.009 0.000 0.297 110 I C 1.260 177.314 176.117 -0.105 0.000 1.139 110 I CA -0.347 60.734 61.300 -0.364 0.000 1.340 110 I CB 0.035 37.840 38.000 -0.326 0.000 1.444 110 I HN 0.790 nan 8.210 nan 0.000 0.557 111 N N 4.843 123.544 118.700 0.002 0.000 2.395 111 N HA 0.039 4.784 4.740 0.009 0.000 0.175 111 N C 0.616 176.170 175.510 0.074 0.000 1.029 111 N CA 0.430 53.516 53.050 0.059 0.000 0.897 111 N CB 0.551 39.099 38.487 0.102 0.000 0.991 111 N HN 0.550 nan 8.380 nan 0.000 0.441 112 G N 0.265 109.134 108.800 0.115 0.000 3.021 112 G HA2 0.497 4.462 3.960 0.009 0.000 0.290 112 G HA3 0.497 4.462 3.960 0.009 0.000 0.290 112 G C -0.808 174.170 174.900 0.130 0.000 1.291 112 G CA -0.703 44.466 45.100 0.115 0.000 0.834 112 G HN 0.006 nan 8.290 nan 0.000 0.564 113 I N 1.508 122.150 120.570 0.119 0.000 2.741 113 I HA 0.314 4.489 4.170 0.009 0.000 0.288 113 I C 0.671 176.900 176.117 0.187 0.000 1.192 113 I CA 0.003 61.370 61.300 0.111 0.000 1.426 113 I CB 0.157 38.203 38.000 0.077 0.000 1.367 113 I HN 0.495 nan 8.210 nan 0.000 0.563 114 A N 8.587 131.510 122.820 0.173 0.000 2.483 114 A HA 0.706 5.032 4.320 0.009 0.000 0.308 114 A C -0.468 177.214 177.584 0.164 0.000 1.291 114 A CA -0.510 51.685 52.037 0.264 0.000 0.774 114 A CB 0.469 19.620 19.000 0.252 0.000 1.134 114 A HN 0.644 nan 8.150 nan 0.000 0.471 115 L N 1.553 122.858 121.223 0.136 0.000 2.322 115 L HA 0.770 5.116 4.340 0.009 0.000 0.269 115 L C 1.485 178.421 176.870 0.110 0.000 1.012 115 L CA 0.014 54.911 54.840 0.095 0.000 0.815 115 L CB 1.545 43.636 42.059 0.054 0.000 1.295 115 L HN 0.990 nan 8.230 nan 0.000 0.438 116 G N 1.232 110.095 108.800 0.104 0.000 2.660 116 G HA2 -0.367 3.598 3.960 0.009 0.000 0.321 116 G HA3 -0.367 3.598 3.960 0.009 0.000 0.321 116 G C 0.945 175.915 174.900 0.117 0.000 1.246 116 G CA 0.566 45.748 45.100 0.135 0.000 1.000 116 G HN 1.018 nan 8.290 nan 0.000 0.550 117 G N 0.496 109.362 108.800 0.110 0.000 2.448 117 G HA2 0.198 4.163 3.960 0.009 0.000 0.219 117 G HA3 0.198 4.163 3.960 0.009 0.000 0.219 117 G C 1.881 176.693 174.900 -0.147 0.000 1.127 117 G CA 1.935 46.947 45.100 -0.146 0.000 0.766 117 G HN 1.709 nan 8.290 nan 0.000 0.552 118 G N 0.869 109.720 108.800 0.086 0.000 2.446 118 G HA2 -0.231 3.735 3.960 0.009 0.000 0.217 118 G HA3 -0.231 3.735 3.960 0.009 0.000 0.217 118 G C 1.730 176.789 174.900 0.265 0.000 1.168 118 G CA 0.839 46.070 45.100 0.219 0.000 0.771 118 G HN 0.430 nan 8.290 nan 0.000 0.551 119 L N -0.024 121.303 121.223 0.173 0.000 2.093 119 L HA 0.009 4.354 4.340 0.009 0.000 0.208 119 L C 2.900 179.821 176.870 0.086 0.000 1.085 119 L CA 1.333 56.260 54.840 0.145 0.000 0.755 119 L CB -0.250 41.904 42.059 0.157 0.000 0.904 119 L HN 0.321 nan 8.230 nan 0.000 0.435 120 E N -0.627 119.578 120.200 0.008 0.000 2.204 120 E HA -0.305 4.051 4.350 0.009 0.000 0.195 120 E C 1.949 178.490 176.600 -0.098 0.000 0.990 120 E CA 1.502 57.841 56.400 -0.102 0.000 0.821 120 E CB -0.120 29.438 29.700 -0.237 0.000 0.750 120 E HN 0.424 nan 8.360 nan 0.000 0.477 121 M N 0.418 120.023 119.600 0.007 0.000 2.077 121 M HA -0.140 4.345 4.480 0.009 0.000 0.261 121 M C 2.105 178.529 176.300 0.206 0.000 1.070 121 M CA 1.689 57.122 55.300 0.223 0.000 1.125 121 M CB -0.319 32.479 32.600 0.330 0.000 1.339 121 M HN 0.128 nan 8.290 nan 0.000 0.409 122 C N 0.007 119.420 119.300 0.188 0.000 2.429 122 C HA -0.088 4.378 4.460 0.009 0.000 0.277 122 C C 2.647 177.707 174.990 0.117 0.000 1.262 122 C CA 0.747 59.845 59.018 0.133 0.000 1.733 122 C CB -1.556 26.207 27.740 0.038 0.000 2.010 122 C HN 0.637 nan 8.230 nan 0.000 0.483 123 L N 1.173 122.446 121.223 0.083 0.000 2.187 123 L HA -0.188 4.157 4.340 0.009 0.000 0.213 123 L C 2.801 179.725 176.870 0.090 0.000 1.100 123 L CA 1.394 56.267 54.840 0.054 0.000 0.765 123 L CB -0.608 41.461 42.059 0.016 0.000 0.904 123 L HN 0.384 nan 8.230 nan 0.000 0.437 124 A N -0.020 122.892 122.820 0.153 0.000 1.968 124 A HA 0.121 4.446 4.320 0.009 0.000 0.217 124 A C 1.608 179.379 177.584 0.311 0.000 1.169 124 A CA 0.931 53.112 52.037 0.240 0.000 0.638 124 A CB -0.425 18.786 19.000 0.351 0.000 0.812 124 A HN 0.341 nan 8.150 nan 0.000 0.446 125 A N -0.099 122.926 122.820 0.340 0.000 2.325 125 A HA 0.319 4.645 4.320 0.009 0.000 0.260 125 A C 0.803 178.508 177.584 0.202 0.000 1.133 125 A CA 0.420 52.691 52.037 0.390 0.000 0.801 125 A CB 0.123 19.371 19.000 0.414 0.000 1.092 125 A HN 0.362 nan 8.150 nan 0.000 0.504 126 D N -1.097 119.415 120.400 0.187 0.000 2.214 126 D HA 0.132 4.778 4.640 0.009 0.000 0.217 126 D C -0.030 176.167 176.300 -0.171 0.000 0.973 126 D CA 1.250 55.260 54.000 0.017 0.000 0.880 126 D CB -0.122 40.762 40.800 0.140 0.000 1.031 126 D HN 0.415 nan 8.370 nan 0.000 0.468 127 F N 0.105 120.108 119.950 0.089 0.000 2.509 127 F HA 0.518 5.051 4.527 0.009 0.000 0.334 127 F C 0.454 176.288 175.800 0.056 0.000 1.060 127 F CA -0.736 57.301 58.000 0.062 0.000 0.997 127 F CB 1.234 40.265 39.000 0.051 0.000 1.271 127 F HN -0.482 nan 8.300 nan 0.000 0.488 128 R N 0.580 121.216 120.500 0.225 0.000 2.510 128 R HA 0.609 4.955 4.340 0.009 0.000 0.287 128 R C -2.012 174.342 176.300 0.089 0.000 1.084 128 R CA -0.643 55.526 56.100 0.116 0.000 0.934 128 R CB 2.265 32.599 30.300 0.056 0.000 1.201 128 R HN 0.380 nan 8.270 nan 0.000 0.431 129 V N 4.142 124.089 119.914 0.054 0.000 2.459 129 V HA 0.549 4.675 4.120 0.009 0.000 0.295 129 V C -0.096 175.998 176.094 -0.001 0.000 1.029 129 V CA -0.628 61.693 62.300 0.035 0.000 0.874 129 V CB 1.770 33.612 31.823 0.033 0.000 0.985 129 V HN 0.719 nan 8.190 nan 0.000 0.438 130 M N 3.327 122.931 119.600 0.006 0.000 2.530 130 M HA 0.800 5.286 4.480 0.009 0.000 0.307 130 M C -0.324 175.981 176.300 0.008 0.000 1.161 130 M CA -0.593 54.703 55.300 -0.007 0.000 0.903 130 M CB 2.080 34.682 32.600 0.004 0.000 1.711 130 M HN 0.756 nan 8.290 nan 0.000 0.451 131 A N 2.093 124.917 122.820 0.006 0.000 2.363 131 A HA 0.277 4.603 4.320 0.009 0.000 0.270 131 A C 0.514 178.110 177.584 0.019 0.000 1.121 131 A CA -0.361 51.686 52.037 0.016 0.000 0.800 131 A CB 0.094 19.107 19.000 0.021 0.000 1.052 131 A HN 0.948 nan 8.150 nan 0.000 0.493 132 D N 1.747 122.160 120.400 0.020 0.000 2.265 132 D HA -0.180 4.466 4.640 0.009 0.000 0.208 132 D C 1.240 177.551 176.300 0.019 0.000 0.977 132 D CA 1.689 55.701 54.000 0.021 0.000 0.871 132 D CB -0.418 40.394 40.800 0.019 0.000 0.925 132 D HN 0.456 nan 8.370 nan 0.000 0.485 133 S N -1.433 114.279 115.700 0.020 0.000 2.614 133 S HA 0.598 5.073 4.470 0.009 0.000 0.230 133 S C 0.652 175.266 174.600 0.022 0.000 0.952 133 S CA -0.381 57.830 58.200 0.020 0.000 0.949 133 S CB 0.016 63.228 63.200 0.021 0.000 0.786 133 S HN 0.486 nan 8.310 nan 0.000 0.478 134 A N 1.383 124.216 122.820 0.022 0.000 2.284 134 A HA 0.871 5.196 4.320 0.009 0.000 0.317 134 A C -0.307 177.288 177.584 0.018 0.000 1.120 134 A CA -0.866 51.186 52.037 0.025 0.000 0.900 134 A CB 1.090 20.104 19.000 0.024 0.000 1.319 134 A HN 0.418 nan 8.150 nan 0.000 0.494 135 K N -0.200 120.212 120.400 0.019 0.000 2.523 135 K HA 0.575 4.901 4.320 0.009 0.000 0.257 135 K C -1.428 175.176 176.600 0.007 0.000 0.932 135 K CA -0.265 56.022 56.287 -0.001 0.000 0.812 135 K CB 2.345 34.835 32.500 -0.016 0.000 1.326 135 K HN 0.749 nan 8.250 nan 0.000 0.433 136 I N -2.043 118.517 120.570 -0.017 0.000 2.828 136 I HA 0.929 5.105 4.170 0.009 0.000 0.302 136 I C -0.295 175.759 176.117 -0.105 0.000 1.101 136 I CA -0.716 60.593 61.300 0.015 0.000 1.031 136 I CB 2.494 40.566 38.000 0.119 0.000 1.231 136 I HN 0.684 nan 8.210 nan 0.000 0.427 137 G N 3.726 112.510 108.800 -0.027 0.000 2.349 137 G HA2 0.488 4.453 3.960 0.009 0.000 0.294 137 G HA3 0.488 4.453 3.960 0.009 0.000 0.294 137 G C -1.853 173.076 174.900 0.047 0.000 1.380 137 G CA -0.928 44.111 45.100 -0.101 0.000 0.811 137 G HN 0.658 nan 8.290 nan 0.000 0.519 138 L N 1.464 122.723 121.223 0.060 0.000 2.457 138 L HA 0.352 4.697 4.340 0.009 0.000 0.252 138 L C -1.965 174.951 176.870 0.077 0.000 1.132 138 L CA -1.562 53.342 54.840 0.106 0.000 0.938 138 L CB 2.233 44.392 42.059 0.168 0.000 1.246 138 L HN 0.360 nan 8.230 nan 0.000 0.476 139 P HA 0.040 nan 4.420 nan 0.000 0.254 139 P C 0.402 177.721 177.300 0.031 0.000 1.631 139 P CA 0.058 63.172 63.100 0.023 0.000 0.861 139 P CB 0.437 32.124 31.700 -0.021 0.000 1.663 140 E N 0.395 120.651 120.200 0.094 0.000 2.072 140 E HA -0.088 4.267 4.350 0.009 0.000 0.191 140 E C 2.014 178.682 176.600 0.112 0.000 0.985 140 E CA 1.315 57.797 56.400 0.136 0.000 0.801 140 E CB -0.859 28.970 29.700 0.215 0.000 0.750 140 E HN 0.307 nan 8.360 nan 0.000 0.452 141 V N -0.576 119.408 119.914 0.116 0.000 3.026 141 V HA -0.090 4.036 4.120 0.009 0.000 0.265 141 V C 1.689 177.846 176.094 0.106 0.000 1.121 141 V CA 1.265 63.629 62.300 0.107 0.000 1.142 141 V CB -0.572 31.311 31.823 0.099 0.000 0.730 141 V HN -0.072 nan 8.190 nan 0.000 0.503 142 K N 0.197 120.663 120.400 0.110 0.000 2.525 142 K HA 0.339 4.665 4.320 0.009 0.000 0.192 142 K C 1.158 177.900 176.600 0.236 0.000 1.029 142 K CA 0.701 57.113 56.287 0.209 0.000 1.029 142 K CB -0.197 32.469 32.500 0.276 0.000 0.814 142 K HN 0.608 nan 8.250 nan 0.000 0.503 143 L N -2.542 118.745 121.223 0.107 0.000 3.217 143 L HA 0.283 4.628 4.340 0.009 0.000 0.288 143 L C 0.767 177.641 176.870 0.007 0.000 1.202 143 L CA 0.122 55.003 54.840 0.069 0.000 1.027 143 L CB 0.967 43.032 42.059 0.011 0.000 1.427 143 L HN 0.219 nan 8.230 nan 0.000 0.600 144 G N 1.878 110.692 108.800 0.022 0.000 2.131 144 G HA2 -0.227 3.738 3.960 0.009 0.000 0.223 144 G HA3 -0.227 3.738 3.960 0.009 0.000 0.223 144 G C 0.065 174.885 174.900 -0.133 0.000 0.990 144 G CA 0.419 45.500 45.100 -0.032 0.000 0.671 144 G HN 0.411 nan 8.290 nan 0.000 0.521 145 I N -3.037 117.468 120.570 -0.108 0.000 3.343 145 I HA 0.951 5.126 4.170 0.009 0.000 0.315 145 I C -0.285 175.859 176.117 0.044 0.000 1.153 145 I CA -2.192 58.981 61.300 -0.212 0.000 0.952 145 I CB 1.672 39.427 38.000 -0.407 0.000 1.287 145 I HN 0.323 nan 8.210 nan 0.000 0.472 146 Y N -1.547 118.848 120.300 0.158 0.000 2.605 146 Y HA 0.802 5.358 4.550 0.010 0.000 0.343 146 Y C -3.059 172.972 175.900 0.218 0.000 1.036 146 Y CA -3.794 54.407 58.100 0.168 0.000 1.065 146 Y CB -0.229 38.300 38.460 0.114 0.000 1.288 146 Y HN 0.256 nan 8.280 nan 0.000 0.481 147 P HA -0.002 nan 4.420 nan 0.000 0.255 147 P C 0.552 177.880 177.300 0.046 0.000 1.151 147 P CA 1.616 64.829 63.100 0.188 0.000 0.767 147 P CB 0.389 32.169 31.700 0.134 0.000 0.736 148 G N 1.830 110.369 108.800 -0.435 0.000 3.020 148 G HA2 0.023 3.988 3.960 0.009 0.000 0.217 148 G HA3 0.023 3.988 3.960 0.009 0.000 0.217 148 G C 0.079 174.443 174.900 -0.893 0.000 1.144 148 G CA 0.066 44.558 45.100 -1.013 0.000 0.760 148 G HN 0.357 nan 8.290 nan 0.000 0.548 149 F N 1.285 120.986 119.950 -0.414 0.000 2.883 149 F HA 0.453 4.986 4.527 0.009 0.000 0.312 149 F C 1.537 177.037 175.800 -0.501 0.000 1.246 149 F CA -0.761 56.905 58.000 -0.556 0.000 1.238 149 F CB 0.679 39.170 39.000 -0.849 0.000 1.195 149 F HN 0.131 nan 8.300 nan 0.000 0.526 150 G N -0.051 108.646 108.800 -0.172 0.000 2.184 150 G HA2 -0.334 3.632 3.960 0.009 0.000 0.264 150 G HA3 -0.334 3.632 3.960 0.009 0.000 0.264 150 G C 1.501 176.355 174.900 -0.077 0.000 0.975 150 G CA 0.301 45.337 45.100 -0.107 0.000 0.642 150 G HN 0.744 nan 8.290 nan 0.000 0.536 151 G N 0.455 109.213 108.800 -0.069 0.000 2.459 151 G HA2 -0.023 3.942 3.960 0.009 0.000 0.217 151 G HA3 -0.023 3.942 3.960 0.009 0.000 0.217 151 G C 1.818 176.711 174.900 -0.012 0.000 1.183 151 G CA 2.250 47.339 45.100 -0.019 0.000 0.776 151 G HN 1.582 nan 8.290 nan 0.000 0.552 152 T N -1.218 113.323 114.554 -0.021 0.000 3.308 152 T HA 0.233 4.588 4.350 0.009 0.000 0.255 152 T C 1.594 176.260 174.700 -0.057 0.000 1.162 152 T CA 0.927 62.985 62.100 -0.070 0.000 1.031 152 T CB 0.308 69.053 68.868 -0.205 0.000 0.973 152 T HN 0.065 nan 8.240 nan 0.000 0.544 153 V N 0.129 120.022 119.914 -0.035 0.000 2.996 153 V HA 0.257 4.383 4.120 0.009 0.000 0.235 153 V C 2.660 178.743 176.094 -0.018 0.000 1.205 153 V CA 0.163 62.451 62.300 -0.020 0.000 1.225 153 V CB -0.070 31.750 31.823 -0.006 0.000 0.995 153 V HN 0.279 nan 8.190 nan 0.000 0.484 154 R N -0.185 120.301 120.500 -0.024 0.000 2.112 154 R HA 0.111 4.456 4.340 0.009 0.000 0.216 154 R C 2.140 178.410 176.300 -0.051 0.000 1.080 154 R CA 0.746 56.830 56.100 -0.027 0.000 0.996 154 R CB -0.286 30.004 30.300 -0.016 0.000 0.902 154 R HN 0.299 nan 8.270 nan 0.000 0.449 155 L N 1.876 123.064 121.223 -0.058 0.000 1.994 155 L HA -0.041 4.304 4.340 0.009 0.000 0.208 155 L C -1.018 175.779 176.870 -0.120 0.000 1.071 155 L CA 1.903 56.682 54.840 -0.103 0.000 0.745 155 L CB -0.788 41.223 42.059 -0.080 0.000 0.892 155 L HN -0.017 nan 8.230 nan 0.000 0.431 156 P HA -0.142 nan 4.420 nan 0.000 0.218 156 P C 1.060 178.316 177.300 -0.074 0.000 1.148 156 P CA 1.587 64.644 63.100 -0.071 0.000 0.822 156 P CB -0.040 31.647 31.700 -0.022 0.000 0.784 157 R N -1.644 118.819 120.500 -0.062 0.000 2.280 157 R HA 0.204 4.549 4.340 0.009 0.000 0.195 157 R C 1.926 178.180 176.300 -0.077 0.000 0.935 157 R CA 0.369 56.434 56.100 -0.057 0.000 1.033 157 R CB -0.280 30.000 30.300 -0.034 0.000 0.964 157 R HN 0.263 nan 8.270 nan 0.000 0.489 158 L N 0.273 121.436 121.223 -0.100 0.000 2.286 158 L HA 0.169 4.515 4.340 0.009 0.000 0.203 158 L C 1.962 178.742 176.870 -0.149 0.000 1.068 158 L CA 0.771 55.541 54.840 -0.118 0.000 0.811 158 L CB 0.175 42.162 42.059 -0.121 0.000 0.989 158 L HN 0.164 nan 8.230 nan 0.000 0.467 159 I N -3.350 117.104 120.570 -0.194 0.000 4.082 159 I HA 0.520 4.696 4.170 0.009 0.000 0.337 159 I C 0.507 176.508 176.117 -0.194 0.000 1.352 159 I CA -0.087 61.075 61.300 -0.230 0.000 1.097 159 I CB 0.508 38.278 38.000 -0.383 0.000 1.048 159 I HN 0.107 nan 8.210 nan 0.000 0.393 160 G N 0.914 109.619 108.800 -0.159 0.000 2.697 160 G HA2 -0.130 3.836 3.960 0.009 0.000 0.686 160 G HA3 -0.130 3.836 3.960 0.009 0.000 0.686 160 G C -0.056 174.756 174.900 -0.147 0.000 1.179 160 G CA -0.481 44.534 45.100 -0.142 0.000 0.765 160 G HN -0.050 nan 8.290 nan 0.000 0.649 161 V N 1.606 121.427 119.914 -0.154 0.000 2.219 161 V HA -0.219 3.906 4.120 0.009 0.000 0.248 161 V C 2.678 178.670 176.094 -0.170 0.000 1.053 161 V CA 2.867 65.058 62.300 -0.181 0.000 1.009 161 V CB -0.733 30.884 31.823 -0.343 0.000 0.636 161 V HN 0.850 nan 8.190 nan 0.000 0.445 162 D N 0.368 120.654 120.400 -0.191 0.000 2.156 162 D HA -0.217 4.428 4.640 0.009 0.000 0.190 162 D C 2.004 178.251 176.300 -0.088 0.000 0.998 162 D CA 1.802 55.713 54.000 -0.149 0.000 0.842 162 D CB -0.634 40.075 40.800 -0.152 0.000 0.974 162 D HN 0.428 nan 8.370 nan 0.000 0.447 163 N N 0.935 119.575 118.700 -0.099 0.000 2.137 163 N HA -0.165 4.581 4.740 0.009 0.000 0.190 163 N C 1.818 177.274 175.510 -0.091 0.000 1.017 163 N CA 1.278 54.277 53.050 -0.085 0.000 0.859 163 N CB -0.228 38.154 38.487 -0.176 0.000 1.002 163 N HN 0.178 nan 8.380 nan 0.000 0.428 164 A N 0.930 123.675 122.820 -0.124 0.000 1.873 164 A HA -0.052 4.273 4.320 0.009 0.000 0.215 164 A C 2.558 180.172 177.584 0.050 0.000 1.186 164 A CA 1.149 53.140 52.037 -0.075 0.000 0.616 164 A CB -0.775 18.172 19.000 -0.087 0.000 0.823 164 A HN 0.094 nan 8.150 nan 0.000 0.442 165 V N 0.222 120.154 119.914 0.029 0.000 2.380 165 V HA -0.315 3.811 4.120 0.009 0.000 0.251 165 V C 2.506 178.666 176.094 0.110 0.000 1.063 165 V CA 2.487 64.825 62.300 0.062 0.000 1.055 165 V CB -0.769 31.074 31.823 0.034 0.000 0.657 165 V HN 0.772 nan 8.190 nan 0.000 0.455 166 E N -1.090 119.190 120.200 0.133 0.000 2.028 166 E HA -0.240 4.115 4.350 0.009 0.000 0.191 166 E C 2.040 178.788 176.600 0.246 0.000 0.988 166 E CA 1.528 58.035 56.400 0.179 0.000 0.799 166 E CB -0.196 29.619 29.700 0.191 0.000 0.755 166 E HN 0.642 nan 8.360 nan 0.000 0.447 167 W N 0.796 122.103 121.300 0.012 0.000 2.341 167 W HA -0.122 4.543 4.660 0.009 0.000 0.283 167 W C 1.965 178.501 176.519 0.028 0.000 1.215 167 W CA 0.928 58.283 57.345 0.018 0.000 1.211 167 W CB -0.186 29.280 29.460 0.010 0.000 1.131 167 W HN 0.221 nan 8.180 nan 0.000 0.552 168 I N -1.312 119.406 120.570 0.247 0.000 2.556 168 I HA -0.075 4.101 4.170 0.009 0.000 0.251 168 I C 2.450 178.642 176.117 0.124 0.000 1.105 168 I CA 0.992 62.391 61.300 0.166 0.000 1.436 168 I CB -1.026 37.050 38.000 0.127 0.000 1.139 168 I HN -0.170 nan 8.210 nan 0.000 0.438 169 A N 0.838 123.724 122.820 0.111 0.000 2.070 169 A HA -0.179 4.146 4.320 0.009 0.000 0.220 169 A C 2.414 180.031 177.584 0.055 0.000 1.159 169 A CA 2.185 54.272 52.037 0.084 0.000 0.656 169 A CB -0.542 18.510 19.000 0.087 0.000 0.800 169 A HN 0.540 nan 8.150 nan 0.000 0.453 170 S N -2.588 113.146 115.700 0.056 0.000 2.468 170 S HA 0.378 4.853 4.470 0.009 0.000 0.226 170 S C 1.597 176.203 174.600 0.010 0.000 1.051 170 S CA 1.166 59.377 58.200 0.019 0.000 0.943 170 S CB -0.485 62.720 63.200 0.008 0.000 0.810 170 S HN 1.855 nan 8.310 nan 0.000 0.509 171 G N 2.683 111.493 108.800 0.017 0.000 2.168 171 G HA2 -0.335 3.630 3.960 0.009 0.000 0.257 171 G HA3 -0.335 3.630 3.960 0.009 0.000 0.257 171 G C -0.061 174.812 174.900 -0.045 0.000 0.997 171 G CA 0.568 45.674 45.100 0.010 0.000 0.708 171 G HN 1.009 nan 8.290 nan 0.000 0.520 172 K N 0.243 120.583 120.400 -0.101 0.000 2.258 172 K HA 0.532 4.858 4.320 0.009 0.000 0.264 172 K C 0.177 176.636 176.600 -0.234 0.000 1.007 172 K CA -0.445 55.758 56.287 -0.140 0.000 0.941 172 K CB 1.307 33.717 32.500 -0.149 0.000 0.966 172 K HN 0.356 nan 8.250 nan 0.000 0.480 173 E N 1.245 121.336 120.200 -0.180 0.000 2.373 173 E HA 0.118 4.473 4.350 0.009 0.000 0.263 173 E C -0.578 175.851 176.600 -0.286 0.000 1.073 173 E CA -0.615 55.664 56.400 -0.200 0.000 0.894 173 E CB 0.728 30.367 29.700 -0.102 0.000 1.008 173 E HN 0.470 nan 8.360 nan 0.000 0.420 174 N N 2.081 120.583 118.700 -0.329 0.000 2.314 174 N HA 0.240 4.985 4.740 0.009 0.000 0.294 174 N C -0.603 174.838 175.510 -0.115 0.000 1.029 174 N CA -0.539 52.324 53.050 -0.311 0.000 0.845 174 N CB 1.737 39.852 38.487 -0.621 0.000 1.321 174 N HN 0.242 nan 8.380 nan 0.000 0.481 175 R N 0.483 120.949 120.500 -0.056 0.000 2.726 175 R HA 0.286 4.632 4.340 0.009 0.000 0.272 175 R C 1.346 177.664 176.300 0.030 0.000 1.097 175 R CA -0.264 55.831 56.100 -0.008 0.000 1.198 175 R CB 0.389 30.688 30.300 -0.002 0.000 1.114 175 R HN 0.655 nan 8.270 nan 0.000 0.550 176 A N 1.093 123.933 122.820 0.033 0.000 1.883 176 A HA -0.242 4.083 4.320 0.009 0.000 0.217 176 A C 2.084 179.703 177.584 0.058 0.000 1.186 176 A CA 1.881 53.946 52.037 0.047 0.000 0.624 176 A CB -0.579 18.441 19.000 0.034 0.000 0.822 176 A HN 0.926 nan 8.150 nan 0.000 0.444 177 E N -0.176 120.052 120.200 0.046 0.000 2.038 177 E HA -0.257 4.099 4.350 0.009 0.000 0.195 177 E C 1.371 178.012 176.600 0.069 0.000 1.000 177 E CA 1.608 58.036 56.400 0.048 0.000 0.803 177 E CB -0.188 29.533 29.700 0.036 0.000 0.750 177 E HN 0.601 nan 8.360 nan 0.000 0.448 178 D N -0.019 120.430 120.400 0.083 0.000 2.144 178 D HA -0.133 4.513 4.640 0.009 0.000 0.200 178 D C 1.849 178.275 176.300 0.210 0.000 0.978 178 D CA 1.114 55.191 54.000 0.129 0.000 0.833 178 D CB -0.186 40.687 40.800 0.121 0.000 0.961 178 D HN 0.295 nan 8.370 nan 0.000 0.470 179 A N 1.166 124.121 122.820 0.226 0.000 1.940 179 A HA -0.134 4.191 4.320 0.009 0.000 0.219 179 A C 2.256 179.931 177.584 0.151 0.000 1.176 179 A CA 0.867 53.086 52.037 0.302 0.000 0.631 179 A CB -0.693 18.459 19.000 0.253 0.000 0.814 179 A HN 0.264 nan 8.150 nan 0.000 0.446 180 L N -0.848 120.434 121.223 0.099 0.000 2.095 180 L HA -0.092 4.253 4.340 0.009 0.000 0.204 180 L C 2.364 179.256 176.870 0.036 0.000 1.080 180 L CA 1.506 56.379 54.840 0.055 0.000 0.759 180 L CB -0.266 41.822 42.059 0.048 0.000 0.914 180 L HN 0.295 nan 8.230 nan 0.000 0.439 181 K N -0.437 119.992 120.400 0.049 0.000 2.103 181 K HA -0.153 4.172 4.320 0.009 0.000 0.207 181 K C 1.662 178.266 176.600 0.006 0.000 1.048 181 K CA 1.751 58.057 56.287 0.031 0.000 0.930 181 K CB -0.253 32.275 32.500 0.045 0.000 0.716 181 K HN 0.457 nan 8.250 nan 0.000 0.444 182 V N -2.731 117.185 119.914 0.004 0.000 3.623 182 V HA 0.136 4.261 4.120 0.009 0.000 0.271 182 V C 0.408 176.421 176.094 -0.136 0.000 1.248 182 V CA 0.092 62.342 62.300 -0.083 0.000 1.156 182 V CB 0.060 31.795 31.823 -0.147 0.000 0.870 182 V HN 0.215 nan 8.190 nan 0.000 0.453 183 S N -0.294 115.359 115.700 -0.077 0.000 3.490 183 S HA -0.257 4.219 4.470 0.009 0.000 0.301 183 S C 1.345 175.876 174.600 -0.114 0.000 1.233 183 S CA 0.957 59.110 58.200 -0.078 0.000 0.914 183 S CB -1.756 61.394 63.200 -0.083 0.000 1.047 183 S HN 1.455 nan 8.310 nan 0.000 0.602 184 A N -0.547 122.185 122.820 -0.148 0.000 2.119 184 A HA 0.422 4.748 4.320 0.009 0.000 0.217 184 A C 0.827 178.386 177.584 -0.042 0.000 1.153 184 A CA 1.252 53.182 52.037 -0.179 0.000 0.692 184 A CB 0.244 19.064 19.000 -0.299 0.000 0.799 184 A HN 0.609 nan 8.150 nan 0.000 0.458 185 V N -0.478 119.435 119.914 -0.001 0.000 2.876 185 V HA 0.264 4.389 4.120 0.009 0.000 0.312 185 V C -0.190 175.924 176.094 0.033 0.000 1.085 185 V CA -0.658 61.660 62.300 0.030 0.000 0.945 185 V CB 2.026 33.881 31.823 0.053 0.000 1.017 185 V HN 0.317 nan 8.190 nan 0.000 0.428 186 D N 1.701 122.138 120.400 0.061 0.000 2.346 186 D HA 0.389 5.034 4.640 0.009 0.000 0.206 186 D C 0.417 176.765 176.300 0.079 0.000 1.001 186 D CA 1.087 55.139 54.000 0.086 0.000 0.871 186 D CB 1.348 42.253 40.800 0.175 0.000 0.943 186 D HN 0.695 nan 8.370 nan 0.000 0.518 187 A N 0.180 123.039 122.820 0.066 0.000 2.582 187 A HA 0.476 4.801 4.320 0.009 0.000 0.297 187 A C -1.368 176.240 177.584 0.040 0.000 1.059 187 A CA -0.586 51.481 52.037 0.050 0.000 0.705 187 A CB 1.310 20.341 19.000 0.050 0.000 1.279 187 A HN -0.113 nan 8.150 nan 0.000 0.404 188 V N 1.966 121.900 119.914 0.033 0.000 2.495 188 V HA 0.777 4.902 4.120 0.009 0.000 0.298 188 V C 0.056 176.165 176.094 0.024 0.000 1.031 188 V CA -0.234 62.083 62.300 0.029 0.000 0.871 188 V CB 1.342 33.184 31.823 0.030 0.000 0.988 188 V HN 1.562 nan 8.190 nan 0.000 0.432 189 V N 0.823 120.749 119.914 0.021 0.000 3.181 189 V HA 0.768 4.894 4.120 0.009 0.000 0.308 189 V C 0.075 176.179 176.094 0.018 0.000 1.214 189 V CA -0.679 61.632 62.300 0.018 0.000 1.053 189 V CB 1.708 33.541 31.823 0.016 0.000 1.069 189 V HN 0.883 nan 8.190 nan 0.000 0.441 190 T N -0.484 114.080 114.554 0.016 0.000 2.855 190 T HA 0.461 4.817 4.350 0.009 0.000 0.314 190 T C 1.464 176.175 174.700 0.018 0.000 1.077 190 T CA 0.435 62.545 62.100 0.016 0.000 1.095 190 T CB 0.934 69.811 68.868 0.014 0.000 0.987 190 T HN 1.798 nan 8.240 nan 0.000 0.546 191 A N 1.867 124.699 122.820 0.020 0.000 1.873 191 A HA -0.158 4.168 4.320 0.009 0.000 0.218 191 A C 2.123 179.721 177.584 0.023 0.000 1.193 191 A CA 1.897 53.948 52.037 0.023 0.000 0.629 191 A CB -1.017 17.998 19.000 0.025 0.000 0.826 191 A HN 0.959 nan 8.150 nan 0.000 0.447 192 D N -0.263 120.149 120.400 0.020 0.000 2.144 192 D HA -0.125 4.520 4.640 0.009 0.000 0.199 192 D C 1.573 177.883 176.300 0.017 0.000 0.984 192 D CA 1.476 55.487 54.000 0.018 0.000 0.834 192 D CB -0.254 40.555 40.800 0.015 0.000 0.955 192 D HN 0.551 nan 8.370 nan 0.000 0.465 193 K N 0.412 120.822 120.400 0.016 0.000 2.444 193 K HA 0.108 4.433 4.320 0.009 0.000 0.193 193 K C 1.981 178.590 176.600 0.015 0.000 1.024 193 K CA -0.218 56.077 56.287 0.013 0.000 1.077 193 K CB 0.266 32.773 32.500 0.011 0.000 0.833 193 K HN 0.063 nan 8.250 nan 0.000 0.517 194 L N 0.599 121.833 121.223 0.019 0.000 2.191 194 L HA -0.101 4.244 4.340 0.009 0.000 0.212 194 L C 1.948 178.831 176.870 0.022 0.000 1.103 194 L CA 1.234 56.087 54.840 0.021 0.000 0.769 194 L CB -0.360 41.714 42.059 0.025 0.000 0.908 194 L HN 0.225 nan 8.230 nan 0.000 0.438 195 G N -0.624 108.189 108.800 0.023 0.000 2.484 195 G HA2 -0.291 3.674 3.960 0.009 0.000 0.215 195 G HA3 -0.291 3.674 3.960 0.009 0.000 0.215 195 G C 1.567 176.476 174.900 0.015 0.000 1.219 195 G CA 0.632 45.746 45.100 0.023 0.000 0.791 195 G HN 0.532 nan 8.290 nan 0.000 0.550 196 A N 0.892 123.717 122.820 0.009 0.000 2.070 196 A HA 0.322 4.648 4.320 0.009 0.000 0.220 196 A C 2.727 180.309 177.584 -0.003 0.000 1.159 196 A CA 1.992 54.029 52.037 0.002 0.000 0.656 196 A CB -0.592 18.408 19.000 0.001 0.000 0.800 196 A HN 0.805 nan 8.150 nan 0.000 0.453 197 A N 0.012 122.833 122.820 0.001 0.000 1.908 197 A HA 0.106 4.431 4.320 0.009 0.000 0.218 197 A C 2.473 180.051 177.584 -0.011 0.000 1.181 197 A CA 2.135 54.171 52.037 -0.002 0.000 0.627 197 A CB -0.892 18.113 19.000 0.007 0.000 0.818 197 A HN 1.001 nan 8.150 nan 0.000 0.445 198 A N -0.709 122.110 122.820 -0.001 0.000 1.897 198 A HA 0.081 4.406 4.320 0.009 0.000 0.215 198 A C 2.129 179.698 177.584 -0.025 0.000 1.181 198 A CA 1.352 53.386 52.037 -0.004 0.000 0.620 198 A CB -0.534 18.481 19.000 0.024 0.000 0.821 198 A HN 0.454 nan 8.150 nan 0.000 0.443 199 L N 0.542 121.754 121.223 -0.017 0.000 1.989 199 L HA -0.196 4.150 4.340 0.009 0.000 0.211 199 L C 2.147 178.990 176.870 -0.045 0.000 1.071 199 L CA 2.785 57.610 54.840 -0.026 0.000 0.749 199 L CB -1.092 40.959 42.059 -0.014 0.000 0.890 199 L HN 0.572 nan 8.230 nan 0.000 0.431 200 D N -0.278 120.097 120.400 -0.042 0.000 2.149 200 D HA -0.237 4.408 4.640 0.009 0.000 0.198 200 D C 2.436 178.685 176.300 -0.084 0.000 0.990 200 D CA 1.109 55.078 54.000 -0.050 0.000 0.839 200 D CB 0.130 40.909 40.800 -0.036 0.000 0.948 200 D HN 0.420 nan 8.370 nan 0.000 0.460 201 L N 0.380 121.538 121.223 -0.108 0.000 2.056 201 L HA -0.162 4.184 4.340 0.009 0.000 0.207 201 L C 2.519 179.231 176.870 -0.262 0.000 1.078 201 L CA 0.559 55.280 54.840 -0.198 0.000 0.749 201 L CB -0.155 41.783 42.059 -0.201 0.000 0.901 201 L HN 0.024 nan 8.230 nan 0.000 0.433 202 I N 0.323 120.782 120.570 -0.186 0.000 2.127 202 I HA -0.341 3.834 4.170 0.009 0.000 0.241 202 I C 2.459 178.485 176.117 -0.152 0.000 1.075 202 I CA 1.671 62.866 61.300 -0.176 0.000 1.334 202 I CB -1.175 36.762 38.000 -0.104 0.000 1.040 202 I HN 0.312 nan 8.210 nan 0.000 0.405 203 K N 0.431 120.767 120.400 -0.107 0.000 2.152 203 K HA -0.137 4.189 4.320 0.009 0.000 0.206 203 K C 1.954 178.508 176.600 -0.078 0.000 1.048 203 K CA 1.065 57.306 56.287 -0.078 0.000 0.933 203 K CB -0.177 32.290 32.500 -0.055 0.000 0.721 203 K HN 0.343 nan 8.250 nan 0.000 0.447 204 R N -0.175 120.262 120.500 -0.105 0.000 2.313 204 R HA 0.071 4.417 4.340 0.009 0.000 0.199 204 R C 1.578 177.820 176.300 -0.096 0.000 0.958 204 R CA 0.401 56.447 56.100 -0.090 0.000 1.047 204 R CB 0.253 30.494 30.300 -0.098 0.000 0.955 204 R HN 0.149 nan 8.270 nan 0.000 0.481 205 A N 0.442 123.184 122.820 -0.130 0.000 2.013 205 A HA 0.140 4.465 4.320 0.009 0.000 0.204 205 A C 1.869 179.463 177.584 0.018 0.000 1.262 205 A CA -0.036 51.958 52.037 -0.071 0.000 0.800 205 A CB 0.152 19.014 19.000 -0.229 0.000 0.909 205 A HN 0.077 nan 8.150 nan 0.000 0.472 206 I N 1.180 121.718 120.570 -0.054 0.000 2.202 206 I HA -0.227 3.948 4.170 0.009 0.000 0.242 206 I C 2.852 178.985 176.117 0.027 0.000 1.091 206 I CA 1.661 62.944 61.300 -0.029 0.000 1.368 206 I CB -0.365 37.601 38.000 -0.058 0.000 1.058 206 I HN 0.446 nan 8.210 nan 0.000 0.410 207 S N 0.668 116.374 115.700 0.010 0.000 2.383 207 S HA -0.080 4.395 4.470 0.009 0.000 0.229 207 S C 1.804 176.429 174.600 0.042 0.000 1.030 207 S CA 1.204 59.416 58.200 0.019 0.000 1.002 207 S CB -0.358 62.844 63.200 0.004 0.000 0.829 207 S HN 0.678 nan 8.310 nan 0.000 0.467 208 G N 0.462 109.300 108.800 0.063 0.000 2.205 208 G HA2 -0.208 3.757 3.960 0.009 0.000 0.180 208 G HA3 -0.208 3.757 3.960 0.009 0.000 0.180 208 G C 0.502 175.441 174.900 0.065 0.000 1.004 208 G CA 0.482 45.630 45.100 0.080 0.000 0.670 208 G HN 0.501 nan 8.290 nan 0.000 0.496 209 E N -0.258 119.970 120.200 0.045 0.000 2.058 209 E HA 0.013 4.369 4.350 0.009 0.000 0.194 209 E C 0.753 177.390 176.600 0.062 0.000 0.997 209 E CA 0.695 57.117 56.400 0.036 0.000 0.801 209 E CB -0.094 29.613 29.700 0.011 0.000 0.746 209 E HN 0.525 nan 8.360 nan 0.000 0.450 210 L N 2.381 123.655 121.223 0.085 0.000 2.301 210 L HA 0.214 4.559 4.340 0.009 0.000 0.278 210 L C -0.360 176.677 176.870 0.279 0.000 1.022 210 L CA -0.758 54.187 54.840 0.175 0.000 0.854 210 L CB 1.298 43.431 42.059 0.124 0.000 1.226 210 L HN -0.017 nan 8.230 nan 0.000 0.429 211 D N 2.921 123.441 120.400 0.199 0.000 2.359 211 D HA -0.105 4.541 4.640 0.009 0.000 0.273 211 D C 0.865 177.271 176.300 0.177 0.000 1.362 211 D CA 0.171 54.247 54.000 0.126 0.000 1.010 211 D CB 0.619 41.434 40.800 0.026 0.000 1.090 211 D HN 0.508 nan 8.370 nan 0.000 0.521 212 Y N 3.150 123.574 120.300 0.207 0.000 2.395 212 Y HA 0.050 4.606 4.550 0.009 0.000 0.293 212 Y C 1.746 177.677 175.900 0.052 0.000 1.123 212 Y CA 0.376 58.605 58.100 0.214 0.000 1.227 212 Y CB -0.000 38.668 38.460 0.347 0.000 1.012 212 Y HN 0.027 nan 8.280 nan 0.000 0.552 213 K N 1.220 121.219 120.400 -0.668 0.000 2.148 213 K HA 0.022 4.348 4.320 0.009 0.000 0.204 213 K C 2.254 178.732 176.600 -0.204 0.000 1.050 213 K CA 1.163 57.164 56.287 -0.477 0.000 0.942 213 K CB -0.514 31.672 32.500 -0.523 0.000 0.724 213 K HN 0.531 nan 8.250 nan 0.000 0.446 214 A N 1.047 123.774 122.820 -0.156 0.000 2.021 214 A HA -0.065 4.261 4.320 0.009 0.000 0.216 214 A C 2.064 179.595 177.584 -0.088 0.000 1.163 214 A CA 0.979 52.959 52.037 -0.095 0.000 0.676 214 A CB -0.120 18.840 19.000 -0.066 0.000 0.818 214 A HN 0.190 nan 8.150 nan 0.000 0.453 215 K N -0.435 119.901 120.400 -0.107 0.000 2.305 215 K HA 0.014 4.339 4.320 0.009 0.000 0.199 215 K C 2.073 178.582 176.600 -0.151 0.000 1.047 215 K CA 0.675 56.862 56.287 -0.166 0.000 0.976 215 K CB -0.059 32.239 32.500 -0.337 0.000 0.765 215 K HN 0.427 nan 8.250 nan 0.000 0.474 216 R N 0.044 120.486 120.500 -0.098 0.000 2.210 216 R HA -0.050 4.295 4.340 0.009 0.000 0.203 216 R C 1.960 178.237 176.300 -0.039 0.000 1.010 216 R CA 0.533 56.603 56.100 -0.050 0.000 1.008 216 R CB 0.157 30.462 30.300 0.009 0.000 0.923 216 R HN 0.034 nan 8.270 nan 0.000 0.469 217 Q N 1.122 120.891 119.800 -0.051 0.000 2.061 217 Q HA -0.082 4.263 4.340 0.009 0.000 0.204 217 Q C -1.115 174.866 176.000 -0.032 0.000 0.984 217 Q CA 1.960 57.740 55.803 -0.039 0.000 0.846 217 Q CB -1.064 27.646 28.738 -0.047 0.000 0.902 217 Q HN 0.245 nan 8.270 nan 0.000 0.421 218 P HA -0.225 nan 4.420 nan 0.000 0.218 218 P C -0.017 177.267 177.300 -0.028 0.000 1.154 218 P CA 2.322 65.398 63.100 -0.039 0.000 0.872 218 P CB -0.237 31.429 31.700 -0.056 0.000 0.790 219 K N -0.916 119.469 120.400 -0.025 0.000 2.504 219 K HA 0.157 4.482 4.320 0.009 0.000 0.199 219 K C 0.842 177.446 176.600 0.007 0.000 1.028 219 K CA 0.327 56.607 56.287 -0.011 0.000 1.164 219 K CB -0.324 32.169 32.500 -0.012 0.000 0.877 219 K HN 0.202 nan 8.250 nan 0.000 0.508 220 L N 1.143 122.370 121.223 0.006 0.000 3.086 220 L HA 0.193 4.539 4.340 0.009 0.000 0.274 220 L C -0.114 176.767 176.870 0.019 0.000 1.184 220 L CA -0.273 54.577 54.840 0.017 0.000 1.002 220 L CB 0.402 42.468 42.059 0.012 0.000 1.383 220 L HN 0.333 nan 8.230 nan 0.000 0.582 221 E N -0.062 120.147 120.200 0.015 0.000 2.445 221 E HA 0.374 4.729 4.350 0.009 0.000 0.273 221 E C -1.045 175.569 176.600 0.025 0.000 0.961 221 E CA -1.155 55.257 56.400 0.021 0.000 0.807 221 E CB 1.198 30.903 29.700 0.008 0.000 1.362 221 E HN -0.005 nan 8.360 nan 0.000 0.453 222 K N 0.927 121.346 120.400 0.032 0.000 2.397 222 K HA 0.120 4.445 4.320 0.009 0.000 0.265 222 K C 0.022 176.625 176.600 0.004 0.000 0.982 222 K CA -0.387 55.914 56.287 0.023 0.000 0.931 222 K CB 0.308 32.823 32.500 0.024 0.000 0.943 222 K HN 0.381 nan 8.250 nan 0.000 0.501 223 L N 1.972 123.194 121.223 -0.001 0.000 2.483 223 L HA -0.018 4.327 4.340 0.009 0.000 0.275 223 L C 1.431 178.291 176.870 -0.017 0.000 1.220 223 L CA 0.074 54.909 54.840 -0.009 0.000 0.833 223 L CB 0.245 42.308 42.059 0.007 0.000 1.102 223 L HN 0.724 nan 8.230 nan 0.000 0.490 224 K N 1.447 121.830 120.400 -0.029 0.000 2.366 224 K HA 0.052 4.377 4.320 0.009 0.000 0.198 224 K C 0.082 176.662 176.600 -0.035 0.000 1.044 224 K CA 0.113 56.382 56.287 -0.032 0.000 0.973 224 K CB -0.051 32.426 32.500 -0.039 0.000 0.767 224 K HN 0.264 nan 8.250 nan 0.000 0.475 225 L N 1.980 123.178 121.223 -0.042 0.000 2.499 225 L HA -0.054 4.292 4.340 0.009 0.000 0.281 225 L C 0.833 177.685 176.870 -0.030 0.000 1.234 225 L CA 0.432 55.243 54.840 -0.049 0.000 0.839 225 L CB -0.048 41.966 42.059 -0.074 0.000 1.104 225 L HN 0.158 nan 8.230 nan 0.000 0.500 226 N N 0.603 119.284 118.700 -0.033 0.000 2.424 226 N HA 0.127 4.873 4.740 0.009 0.000 0.257 226 N C 0.672 176.176 175.510 -0.011 0.000 1.250 226 N CA 0.451 53.488 53.050 -0.022 0.000 0.946 226 N CB 1.445 39.917 38.487 -0.025 0.000 1.175 226 N HN 0.684 nan 8.380 nan 0.000 0.477 227 A N 2.729 125.545 122.820 -0.006 0.000 1.873 227 A HA -0.105 4.220 4.320 0.009 0.000 0.215 227 A C 2.145 179.733 177.584 0.006 0.000 1.186 227 A CA 1.057 53.096 52.037 0.003 0.000 0.616 227 A CB -0.428 18.571 19.000 -0.002 0.000 0.823 227 A HN 0.698 nan 8.150 nan 0.000 0.442 228 I N 0.209 120.776 120.570 -0.004 0.000 2.226 228 I HA -0.168 4.008 4.170 0.009 0.000 0.245 228 I C 2.291 178.400 176.117 -0.014 0.000 1.100 228 I CA 1.241 62.537 61.300 -0.006 0.000 1.374 228 I CB -1.585 36.408 38.000 -0.012 0.000 1.057 228 I HN 0.334 nan 8.210 nan 0.000 0.413 229 E N 0.761 120.945 120.200 -0.028 0.000 2.153 229 E HA -0.217 4.139 4.350 0.009 0.000 0.194 229 E C 2.174 178.732 176.600 -0.070 0.000 0.988 229 E CA 0.997 57.365 56.400 -0.054 0.000 0.811 229 E CB -0.177 29.485 29.700 -0.064 0.000 0.746 229 E HN 0.608 nan 8.360 nan 0.000 0.466 230 Q N -0.005 119.780 119.800 -0.025 0.000 2.079 230 Q HA -0.062 4.283 4.340 0.009 0.000 0.200 230 Q C 2.247 178.316 176.000 0.115 0.000 0.974 230 Q CA 1.116 56.939 55.803 0.034 0.000 0.840 230 Q CB -0.155 28.686 28.738 0.170 0.000 0.898 230 Q HN 0.230 nan 8.270 nan 0.000 0.430 231 M N 0.071 119.720 119.600 0.082 0.000 2.108 231 M HA -0.276 4.209 4.480 0.009 0.000 0.257 231 M C 2.213 178.545 176.300 0.054 0.000 1.071 231 M CA 1.651 56.997 55.300 0.077 0.000 1.093 231 M CB 0.002 32.622 32.600 0.034 0.000 1.345 231 M HN 0.321 nan 8.290 nan 0.000 0.403 232 M N -0.622 118.977 119.600 -0.002 0.000 2.216 232 M HA 0.001 4.486 4.480 0.009 0.000 0.264 232 M C 2.090 178.341 176.300 -0.081 0.000 1.080 232 M CA 1.704 56.985 55.300 -0.031 0.000 1.153 232 M CB -0.251 32.319 32.600 -0.049 0.000 1.356 232 M HN 0.284 nan 8.290 nan 0.000 0.432 233 A N 0.113 122.829 122.820 -0.173 0.000 1.958 233 A HA -0.204 4.122 4.320 0.009 0.000 0.221 233 A C 1.767 179.107 177.584 -0.407 0.000 1.178 233 A CA 2.067 53.890 52.037 -0.356 0.000 0.642 233 A CB -1.208 17.456 19.000 -0.560 0.000 0.816 233 A HN 0.654 nan 8.150 nan 0.000 0.453 234 F N -1.101 118.822 119.950 -0.045 0.000 2.274 234 F HA 0.047 4.580 4.527 0.009 0.000 0.288 234 F C 2.510 178.298 175.800 -0.021 0.000 1.069 234 F CA 0.631 58.609 58.000 -0.037 0.000 1.343 234 F CB -0.195 38.778 39.000 -0.046 0.000 1.089 234 F HN 0.043 nan 8.300 nan 0.000 0.517 235 E N 0.479 120.780 120.200 0.169 0.000 2.097 235 E HA -0.211 4.144 4.350 0.009 0.000 0.196 235 E C 2.299 178.942 176.600 0.072 0.000 1.000 235 E CA 2.235 58.693 56.400 0.097 0.000 0.804 235 E CB -1.033 28.706 29.700 0.065 0.000 0.740 235 E HN 0.464 nan 8.360 nan 0.000 0.454 236 T N -0.757 113.821 114.554 0.039 0.000 2.821 236 T HA -0.005 4.350 4.350 0.009 0.000 0.267 236 T C 2.118 176.856 174.700 0.063 0.000 1.046 236 T CA 1.514 63.632 62.100 0.029 0.000 1.139 236 T CB -0.260 68.585 68.868 -0.037 0.000 0.871 236 T HN 0.150 nan 8.240 nan 0.000 0.454 237 A N 2.283 125.127 122.820 0.040 0.000 1.902 237 A HA -0.067 4.258 4.320 0.009 0.000 0.217 237 A C 2.444 180.117 177.584 0.149 0.000 1.181 237 A CA 1.747 53.830 52.037 0.077 0.000 0.623 237 A CB -0.623 18.406 19.000 0.049 0.000 0.818 237 A HN 0.610 nan 8.150 nan 0.000 0.443 238 K N -0.876 119.600 120.400 0.127 0.000 2.002 238 K HA -0.094 4.232 4.320 0.009 0.000 0.209 238 K C 2.146 178.806 176.600 0.100 0.000 1.048 238 K CA 1.208 57.558 56.287 0.104 0.000 0.930 238 K CB -0.540 32.010 32.500 0.083 0.000 0.714 238 K HN 0.454 nan 8.250 nan 0.000 0.438 239 G N 0.612 109.475 108.800 0.105 0.000 2.432 239 G HA2 -0.252 3.713 3.960 0.009 0.000 0.219 239 G HA3 -0.252 3.713 3.960 0.009 0.000 0.219 239 G C 1.305 176.281 174.900 0.128 0.000 1.135 239 G CA 0.362 45.518 45.100 0.095 0.000 0.767 239 G HN 0.151 nan 8.290 nan 0.000 0.550 240 F N 1.077 121.029 119.950 0.002 0.000 2.084 240 F HA -0.034 4.499 4.527 0.009 0.000 0.296 240 F C 2.788 178.585 175.800 -0.005 0.000 1.111 240 F CA 1.204 59.203 58.000 -0.003 0.000 1.224 240 F CB -0.367 38.631 39.000 -0.003 0.000 0.991 240 F HN 0.001 nan 8.300 nan 0.000 0.471 241 V N 0.300 120.294 119.914 0.133 0.000 2.343 241 V HA -0.288 3.837 4.120 0.009 0.000 0.247 241 V C 2.666 178.737 176.094 -0.038 0.000 1.051 241 V CA 1.724 64.038 62.300 0.025 0.000 1.036 241 V CB -1.679 30.188 31.823 0.074 0.000 0.654 241 V HN 0.431 nan 8.190 nan 0.000 0.451 242 A N 0.470 123.287 122.820 -0.007 0.000 2.024 242 A HA -0.068 4.257 4.320 0.009 0.000 0.220 242 A C 2.229 179.781 177.584 -0.053 0.000 1.164 242 A CA 1.821 53.845 52.037 -0.020 0.000 0.643 242 A CB -0.809 18.191 19.000 0.000 0.000 0.806 242 A HN 0.576 nan 8.150 nan 0.000 0.451 243 G N -2.137 106.609 108.800 -0.090 0.000 2.939 243 G HA2 0.145 4.110 3.960 0.009 0.000 0.210 243 G HA3 0.145 4.110 3.960 0.009 0.000 0.210 243 G C 1.164 175.965 174.900 -0.166 0.000 1.160 243 G CA 0.725 45.755 45.100 -0.117 0.000 0.770 243 G HN 0.548 nan 8.290 nan 0.000 0.543 244 Q N -0.993 118.685 119.800 -0.203 0.000 2.164 244 Q HA 0.531 4.876 4.340 0.009 0.000 0.226 244 Q C 1.589 177.487 176.000 -0.169 0.000 0.813 244 Q CA 0.462 56.138 55.803 -0.212 0.000 0.978 244 Q CB 0.690 29.232 28.738 -0.326 0.000 1.149 244 Q HN 0.327 nan 8.270 nan 0.000 0.489 245 A N -0.499 122.236 122.820 -0.142 0.000 1.964 245 A HA 0.657 4.982 4.320 0.009 0.000 0.198 245 A C 0.738 178.286 177.584 -0.060 0.000 1.599 245 A CA 0.655 52.587 52.037 -0.176 0.000 0.968 245 A CB 0.570 19.476 19.000 -0.157 0.000 1.029 245 A HN 0.362 nan 8.150 nan 0.000 0.508 246 G N -0.978 107.812 108.800 -0.017 0.000 2.617 246 G HA2 0.090 4.055 3.960 0.009 0.000 0.686 246 G HA3 0.090 4.055 3.960 0.009 0.000 0.686 246 G C -2.408 172.482 174.900 -0.018 0.000 1.214 246 G CA -0.283 44.819 45.100 0.003 0.000 0.796 246 G HN 0.032 nan 8.290 nan 0.000 0.654 247 P HA 0.019 nan 4.420 nan 0.000 0.239 247 P C 1.442 178.611 177.300 -0.218 0.000 1.184 247 P CA 0.678 63.713 63.100 -0.108 0.000 0.760 247 P CB 0.125 31.770 31.700 -0.091 0.000 0.884 248 N N -1.427 117.043 118.700 -0.384 0.000 2.416 248 N HA -0.040 4.705 4.740 0.009 0.000 0.177 248 N C -0.147 174.883 175.510 -0.799 0.000 1.036 248 N CA 0.755 53.288 53.050 -0.863 0.000 0.901 248 N CB -0.018 37.337 38.487 -1.887 0.000 0.976 248 N HN 0.283 nan 8.380 nan 0.000 0.444 249 Y N 0.458 120.547 120.300 -0.351 0.000 2.593 249 Y HA 0.337 4.893 4.550 0.010 0.000 0.331 249 Y C -1.556 174.270 175.900 -0.122 0.000 0.986 249 Y CA -2.196 55.786 58.100 -0.196 0.000 1.262 249 Y CB 1.387 39.769 38.460 -0.129 0.000 1.098 249 Y HN -0.041 nan 8.280 nan 0.000 0.506 250 P HA -0.196 nan 4.420 nan 0.000 0.215 250 P C 1.589 178.919 177.300 0.051 0.000 1.157 250 P CA 1.990 65.090 63.100 -0.001 0.000 0.863 250 P CB 0.344 32.017 31.700 -0.045 0.000 0.787 251 A N 0.455 123.312 122.820 0.061 0.000 1.881 251 A HA -0.208 4.117 4.320 0.009 0.000 0.219 251 A C 0.041 177.716 177.584 0.151 0.000 1.215 251 A CA 2.719 54.824 52.037 0.114 0.000 0.648 251 A CB -2.457 16.596 19.000 0.087 0.000 0.832 251 A HN 0.202 nan 8.150 nan 0.000 0.455 252 P HA -0.143 nan 4.420 nan 0.000 0.216 252 P C 1.574 178.921 177.300 0.078 0.000 1.157 252 P CA 1.880 65.030 63.100 0.084 0.000 0.880 252 P CB -0.137 31.588 31.700 0.041 0.000 0.791 253 V N -0.405 119.550 119.914 0.068 0.000 2.488 253 V HA -0.128 3.997 4.120 0.009 0.000 0.246 253 V C 2.347 178.471 176.094 0.050 0.000 1.046 253 V CA 1.476 63.808 62.300 0.054 0.000 1.053 253 V CB -1.064 30.781 31.823 0.037 0.000 0.679 253 V HN 0.071 nan 8.190 nan 0.000 0.458 254 E N 0.747 120.997 120.200 0.082 0.000 2.160 254 E HA -0.197 4.159 4.350 0.009 0.000 0.195 254 E C 2.365 178.988 176.600 0.038 0.000 0.991 254 E CA 1.482 57.949 56.400 0.111 0.000 0.810 254 E CB -0.379 29.449 29.700 0.214 0.000 0.742 254 E HN 0.566 nan 8.360 nan 0.000 0.466 255 A N 0.998 123.822 122.820 0.007 0.000 1.902 255 A HA -0.167 4.158 4.320 0.009 0.000 0.217 255 A C 2.303 179.778 177.584 -0.181 0.000 1.181 255 A CA 1.199 53.072 52.037 -0.273 0.000 0.623 255 A CB -0.577 18.370 19.000 -0.089 0.000 0.818 255 A HN 0.194 nan 8.150 nan 0.000 0.443 256 I N -0.609 119.937 120.570 -0.041 0.000 2.163 256 I HA -0.255 3.920 4.170 0.009 0.000 0.240 256 I C 2.388 178.443 176.117 -0.104 0.000 1.081 256 I CA 1.592 62.907 61.300 0.025 0.000 1.353 256 I CB -0.380 37.681 38.000 0.102 0.000 1.054 256 I HN 0.243 nan 8.210 nan 0.000 0.407 257 K N 0.357 120.693 120.400 -0.107 0.000 2.152 257 K HA -0.153 4.173 4.320 0.009 0.000 0.206 257 K C 2.088 178.562 176.600 -0.210 0.000 1.048 257 K CA 1.854 58.043 56.287 -0.163 0.000 0.933 257 K CB -0.341 32.112 32.500 -0.077 0.000 0.721 257 K HN 0.372 nan 8.250 nan 0.000 0.447 258 T N 1.662 116.103 114.554 -0.189 0.000 2.701 258 T HA -0.070 4.285 4.350 0.009 0.000 0.263 258 T C 1.908 176.474 174.700 -0.222 0.000 1.040 258 T CA 1.142 63.128 62.100 -0.190 0.000 1.147 258 T CB -0.180 68.504 68.868 -0.307 0.000 0.865 258 T HN 0.146 nan 8.240 nan 0.000 0.426 259 I N 1.172 121.607 120.570 -0.225 0.000 2.454 259 I HA -0.174 4.001 4.170 0.009 0.000 0.254 259 I C 2.774 178.642 176.117 -0.414 0.000 1.156 259 I CA 1.150 62.357 61.300 -0.154 0.000 1.433 259 I CB -0.448 37.595 38.000 0.072 0.000 1.082 259 I HN 0.296 nan 8.210 nan 0.000 0.432 260 Q N 1.419 120.701 119.800 -0.864 0.000 2.172 260 Q HA -0.177 4.169 4.340 0.009 0.000 0.200 260 Q C 2.083 177.668 176.000 -0.692 0.000 0.964 260 Q CA 1.280 56.213 55.803 -1.449 0.000 0.855 260 Q CB 0.207 28.175 28.738 -1.283 0.000 0.918 260 Q HN 0.470 nan 8.270 nan 0.000 0.444 261 K N -0.397 119.734 120.400 -0.447 0.000 2.076 261 K HA 0.020 4.345 4.320 0.009 0.000 0.204 261 K C 1.718 178.014 176.600 -0.506 0.000 1.051 261 K CA 0.932 57.008 56.287 -0.352 0.000 0.949 261 K CB 0.070 32.471 32.500 -0.166 0.000 0.726 261 K HN 0.105 nan 8.250 nan 0.000 0.443 262 A N 1.089 123.706 122.820 -0.337 0.000 2.259 262 A HA 0.173 4.498 4.320 0.009 0.000 0.208 262 A C 1.956 179.359 177.584 -0.301 0.000 1.201 262 A CA 0.735 52.603 52.037 -0.281 0.000 0.824 262 A CB -0.405 18.588 19.000 -0.011 0.000 0.838 262 A HN 0.279 nan 8.150 nan 0.000 0.485 263 A N 0.234 122.861 122.820 -0.322 0.000 2.186 263 A HA -0.121 4.205 4.320 0.009 0.000 0.219 263 A C 1.403 178.885 177.584 -0.170 0.000 1.159 263 A CA 1.421 53.368 52.037 -0.148 0.000 0.680 263 A CB -0.249 18.715 19.000 -0.060 0.000 0.787 263 A HN 0.513 nan 8.150 nan 0.000 0.467 264 N N -1.704 116.778 118.700 -0.364 0.000 2.194 264 N HA 0.288 5.033 4.740 0.009 0.000 0.231 264 N C -0.655 174.855 175.510 0.001 0.000 1.247 264 N CA -0.005 52.918 53.050 -0.212 0.000 0.884 264 N CB 0.507 38.859 38.487 -0.225 0.000 1.146 264 N HN 0.486 nan 8.380 nan 0.000 0.516 265 F N -0.255 119.689 119.950 -0.010 0.000 2.572 265 F HA 0.600 5.132 4.527 0.009 0.000 0.342 265 F C 1.586 177.382 175.800 -0.007 0.000 1.064 265 F CA -1.307 56.687 58.000 -0.010 0.000 1.008 265 F CB 1.093 40.084 39.000 -0.014 0.000 1.303 265 F HN -0.194 nan 8.300 nan 0.000 0.492 266 G N 0.021 108.948 108.800 0.212 0.000 2.531 266 G HA2 0.167 4.132 3.960 0.009 0.000 0.253 266 G HA3 0.167 4.132 3.960 0.009 0.000 0.253 266 G C 0.697 175.654 174.900 0.094 0.000 1.439 266 G CA -0.450 44.714 45.100 0.106 0.000 1.056 266 G HN 0.625 nan 8.290 nan 0.000 0.555 267 R N -0.489 120.046 120.500 0.059 0.000 2.062 267 R HA -0.063 4.282 4.340 0.009 0.000 0.229 267 R C 1.913 178.242 176.300 0.049 0.000 1.128 267 R CA 1.677 57.808 56.100 0.052 0.000 0.960 267 R CB -0.607 29.720 30.300 0.045 0.000 0.855 267 R HN 0.555 nan 8.270 nan 0.000 0.432 268 D N 1.058 121.479 120.400 0.034 0.000 2.103 268 D HA -0.191 4.455 4.640 0.009 0.000 0.190 268 D C 1.808 178.112 176.300 0.007 0.000 0.997 268 D CA 1.240 55.249 54.000 0.017 0.000 0.833 268 D CB -0.116 40.683 40.800 -0.003 0.000 0.961 268 D HN 0.142 nan 8.370 nan 0.000 0.447 269 K N 0.796 121.185 120.400 -0.018 0.000 2.147 269 K HA -0.013 4.312 4.320 0.009 0.000 0.205 269 K C 2.070 178.728 176.600 0.097 0.000 1.049 269 K CA 0.673 56.925 56.287 -0.059 0.000 0.936 269 K CB -0.290 32.011 32.500 -0.332 0.000 0.722 269 K HN 0.079 nan 8.250 nan 0.000 0.446 270 A N 1.454 124.361 122.820 0.144 0.000 1.898 270 A HA -0.099 4.226 4.320 0.009 0.000 0.216 270 A C 2.282 179.912 177.584 0.078 0.000 1.181 270 A CA 1.066 53.185 52.037 0.137 0.000 0.620 270 A CB -0.567 18.492 19.000 0.097 0.000 0.819 270 A HN 0.174 nan 8.150 nan 0.000 0.442 271 L N -0.689 120.566 121.223 0.054 0.000 2.083 271 L HA -0.192 4.154 4.340 0.009 0.000 0.209 271 L C 2.507 179.402 176.870 0.041 0.000 1.083 271 L CA 1.464 56.325 54.840 0.036 0.000 0.752 271 L CB -0.602 41.475 42.059 0.030 0.000 0.899 271 L HN 0.471 nan 8.230 nan 0.000 0.433 272 E N -0.312 119.913 120.200 0.042 0.000 2.153 272 E HA -0.165 4.191 4.350 0.009 0.000 0.194 272 E C 2.211 178.849 176.600 0.064 0.000 0.988 272 E CA 1.141 57.565 56.400 0.039 0.000 0.811 272 E CB 0.049 29.757 29.700 0.013 0.000 0.746 272 E HN 0.330 nan 8.360 nan 0.000 0.466 273 V N 1.050 121.015 119.914 0.086 0.000 2.591 273 V HA -0.179 3.947 4.120 0.009 0.000 0.249 273 V C 2.245 178.414 176.094 0.125 0.000 1.053 273 V CA 1.505 63.864 62.300 0.099 0.000 1.068 273 V CB -0.331 31.553 31.823 0.102 0.000 0.689 273 V HN 0.246 nan 8.190 nan 0.000 0.462 274 E N 0.972 121.244 120.200 0.119 0.000 2.015 274 E HA -0.216 4.140 4.350 0.009 0.000 0.191 274 E C 2.286 179.036 176.600 0.249 0.000 0.991 274 E CA 1.461 57.985 56.400 0.207 0.000 0.802 274 E CB -0.263 29.501 29.700 0.106 0.000 0.759 274 E HN 0.496 nan 8.360 nan 0.000 0.447 275 A N 1.282 124.165 122.820 0.106 0.000 1.908 275 A HA -0.156 4.169 4.320 0.009 0.000 0.218 275 A C 2.411 180.072 177.584 0.129 0.000 1.181 275 A CA 2.039 54.123 52.037 0.078 0.000 0.627 275 A CB -0.898 18.115 19.000 0.021 0.000 0.818 275 A HN 0.448 nan 8.150 nan 0.000 0.445 276 A N -0.614 122.273 122.820 0.111 0.000 1.908 276 A HA 0.059 4.385 4.320 0.009 0.000 0.218 276 A C 2.386 180.029 177.584 0.098 0.000 1.181 276 A CA 2.079 54.170 52.037 0.090 0.000 0.627 276 A CB -1.304 17.743 19.000 0.077 0.000 0.818 276 A HN 0.767 nan 8.150 nan 0.000 0.445 277 G N -2.124 106.779 108.800 0.171 0.000 2.430 277 G HA2 -0.073 3.893 3.960 0.009 0.000 0.216 277 G HA3 -0.073 3.893 3.960 0.009 0.000 0.216 277 G C 1.381 176.253 174.900 -0.048 0.000 1.146 277 G CA 0.850 46.050 45.100 0.168 0.000 0.793 277 G HN 0.423 nan 8.290 nan 0.000 0.537 278 F N 2.474 122.265 119.950 -0.264 0.000 2.126 278 F HA 0.002 4.535 4.527 0.010 0.000 0.299 278 F C 2.753 178.391 175.800 -0.270 0.000 1.096 278 F CA 1.291 59.021 58.000 -0.451 0.000 1.255 278 F CB -0.155 38.654 39.000 -0.318 0.000 0.997 278 F HN 0.216 nan 8.300 nan 0.000 0.479 279 A N 0.038 122.835 122.820 -0.039 0.000 1.930 279 A HA -0.191 4.135 4.320 0.009 0.000 0.217 279 A C 2.341 179.833 177.584 -0.153 0.000 1.175 279 A CA 1.604 53.596 52.037 -0.076 0.000 0.627 279 A CB -0.737 18.275 19.000 0.020 0.000 0.815 279 A HN 0.321 nan 8.150 nan 0.000 0.443 280 K N 0.101 120.425 120.400 -0.127 0.000 2.097 280 K HA -0.036 4.290 4.320 0.009 0.000 0.205 280 K C 1.766 178.253 176.600 -0.189 0.000 1.050 280 K CA 1.338 57.555 56.287 -0.117 0.000 0.938 280 K CB -0.344 32.120 32.500 -0.059 0.000 0.718 280 K HN 0.531 nan 8.250 nan 0.000 0.442 281 L N 0.285 121.332 121.223 -0.295 0.000 2.179 281 L HA -0.002 4.343 4.340 0.009 0.000 0.208 281 L C 2.467 179.050 176.870 -0.477 0.000 1.096 281 L CA 0.757 55.384 54.840 -0.354 0.000 0.779 281 L CB -0.389 41.417 42.059 -0.422 0.000 0.922 281 L HN 0.100 nan 8.230 nan 0.000 0.443 282 A N -0.406 122.029 122.820 -0.643 0.000 2.178 282 A HA -0.127 4.199 4.320 0.009 0.000 0.218 282 A C 2.025 179.339 177.584 -0.451 0.000 1.157 282 A CA 1.250 52.792 52.037 -0.825 0.000 0.689 282 A CB -0.151 18.341 19.000 -0.848 0.000 0.787 282 A HN 0.184 nan 8.150 nan 0.000 0.465 283 K N 0.047 120.280 120.400 -0.278 0.000 2.360 283 K HA 0.058 4.384 4.320 0.009 0.000 0.196 283 K C 0.693 177.212 176.600 -0.135 0.000 1.049 283 K CA 0.751 56.945 56.287 -0.155 0.000 1.049 283 K CB -0.257 32.183 32.500 -0.100 0.000 0.881 283 K HN 0.601 nan 8.250 nan 0.000 0.542 284 T N -1.275 113.179 114.554 -0.168 0.000 2.918 284 T HA 0.046 4.401 4.350 0.009 0.000 0.302 284 T C 1.356 175.988 174.700 -0.112 0.000 1.045 284 T CA -0.014 62.008 62.100 -0.129 0.000 1.114 284 T CB 1.638 70.423 68.868 -0.138 0.000 0.965 284 T HN -0.035 nan 8.240 nan 0.000 0.540 285 S N 1.694 117.347 115.700 -0.078 0.000 2.419 285 S HA -0.082 4.394 4.470 0.009 0.000 0.233 285 S C 2.239 176.805 174.600 -0.056 0.000 1.016 285 S CA 1.043 59.209 58.200 -0.057 0.000 0.974 285 S CB -0.988 62.194 63.200 -0.031 0.000 0.786 285 S HN 0.921 nan 8.310 nan 0.000 0.492 286 A N 0.277 123.059 122.820 -0.064 0.000 1.968 286 A HA 0.053 4.378 4.320 0.009 0.000 0.217 286 A C 2.306 179.857 177.584 -0.056 0.000 1.169 286 A CA 1.687 53.696 52.037 -0.047 0.000 0.638 286 A CB -1.193 17.744 19.000 -0.104 0.000 0.812 286 A HN 0.571 nan 8.150 nan 0.000 0.446 287 S N 1.727 117.367 115.700 -0.101 0.000 2.380 287 S HA -0.250 4.226 4.470 0.009 0.000 0.217 287 S C 2.070 176.615 174.600 -0.092 0.000 1.036 287 S CA 1.822 59.940 58.200 -0.137 0.000 1.050 287 S CB -0.726 62.312 63.200 -0.271 0.000 1.016 287 S HN 0.822 nan 8.310 nan 0.000 0.419 288 N N 0.874 119.519 118.700 -0.091 0.000 2.334 288 N HA -0.118 4.627 4.740 0.009 0.000 0.187 288 N C 1.996 177.474 175.510 -0.053 0.000 1.016 288 N CA 1.496 54.523 53.050 -0.038 0.000 0.879 288 N CB -1.274 37.197 38.487 -0.026 0.000 0.965 288 N HN 0.455 nan 8.380 nan 0.000 0.438 289 C N 0.880 120.134 119.300 -0.077 0.000 2.489 289 C HA 0.157 4.622 4.460 0.009 0.000 0.279 289 C C 3.001 177.931 174.990 -0.099 0.000 1.266 289 C CA -0.080 58.865 59.018 -0.121 0.000 1.707 289 C CB -1.173 26.489 27.740 -0.130 0.000 2.059 289 C HN 0.388 nan 8.230 nan 0.000 0.481 290 L N 0.608 121.812 121.223 -0.032 0.000 2.083 290 L HA -0.159 4.186 4.340 0.009 0.000 0.209 290 L C 2.326 179.259 176.870 0.104 0.000 1.083 290 L CA 1.524 56.385 54.840 0.035 0.000 0.752 290 L CB -0.554 41.569 42.059 0.108 0.000 0.899 290 L HN 0.379 nan 8.230 nan 0.000 0.433 291 I N -0.237 120.378 120.570 0.076 0.000 2.286 291 I HA -0.192 3.983 4.170 0.009 0.000 0.248 291 I C 2.580 178.737 176.117 0.068 0.000 1.115 291 I CA 1.326 62.688 61.300 0.104 0.000 1.392 291 I CB -0.766 37.294 38.000 0.099 0.000 1.065 291 I HN 0.271 nan 8.210 nan 0.000 0.418 292 G N 0.931 109.714 108.800 -0.028 0.000 2.408 292 G HA2 -0.144 3.821 3.960 0.009 0.000 0.217 292 G HA3 -0.144 3.821 3.960 0.009 0.000 0.217 292 G C 1.716 176.534 174.900 -0.137 0.000 1.150 292 G CA 0.291 45.322 45.100 -0.115 0.000 0.776 292 G HN 0.233 nan 8.290 nan 0.000 0.542 293 L N -0.777 120.354 121.223 -0.153 0.000 1.989 293 L HA -0.042 4.304 4.340 0.009 0.000 0.211 293 L C 2.659 179.409 176.870 -0.200 0.000 1.071 293 L CA 1.084 55.781 54.840 -0.238 0.000 0.749 293 L CB -0.429 41.442 42.059 -0.314 0.000 0.890 293 L HN 0.136 nan 8.230 nan 0.000 0.431 294 F N -0.735 119.160 119.950 -0.092 0.000 2.234 294 F HA -0.214 4.318 4.527 0.008 0.000 0.299 294 F C 2.206 177.974 175.800 -0.053 0.000 1.087 294 F CA 0.975 58.934 58.000 -0.068 0.000 1.340 294 F CB -0.341 38.611 39.000 -0.081 0.000 1.031 294 F HN -0.008 nan 8.300 nan 0.000 0.500 295 L N 0.213 121.508 121.223 0.120 0.000 2.141 295 L HA -0.179 4.167 4.340 0.009 0.000 0.209 295 L C 1.670 178.580 176.870 0.068 0.000 1.094 295 L CA 1.910 56.798 54.840 0.080 0.000 0.763 295 L CB -0.840 41.255 42.059 0.060 0.000 0.908 295 L HN 0.117 nan 8.230 nan 0.000 0.437 296 N N -1.300 117.418 118.700 0.031 0.000 2.333 296 N HA -0.151 4.594 4.740 0.009 0.000 0.178 296 N C 1.224 176.745 175.510 0.017 0.000 1.018 296 N CA 0.685 53.760 53.050 0.041 0.000 0.882 296 N CB -0.023 38.468 38.487 0.007 0.000 0.984 296 N HN 0.323 nan 8.380 nan 0.000 0.434 297 D N 1.424 121.818 120.400 -0.009 0.000 2.123 297 D HA -0.168 4.477 4.640 0.009 0.000 0.196 297 D C 1.974 178.305 176.300 0.052 0.000 0.992 297 D CA 1.315 55.317 54.000 0.003 0.000 0.833 297 D CB 0.060 40.852 40.800 -0.014 0.000 0.954 297 D HN 0.094 nan 8.370 nan 0.000 0.455 298 Q N 0.372 120.215 119.800 0.071 0.000 2.061 298 Q HA -0.168 4.178 4.340 0.009 0.000 0.204 298 Q C 2.248 178.281 176.000 0.055 0.000 0.984 298 Q CA 1.249 57.092 55.803 0.067 0.000 0.846 298 Q CB -0.385 28.393 28.738 0.066 0.000 0.902 298 Q HN 0.596 nan 8.270 nan 0.000 0.421 299 E N 0.482 120.714 120.200 0.054 0.000 2.118 299 E HA -0.155 4.200 4.350 0.009 0.000 0.195 299 E C 2.264 178.894 176.600 0.050 0.000 0.992 299 E CA 0.741 57.170 56.400 0.048 0.000 0.804 299 E CB -0.165 29.566 29.700 0.052 0.000 0.741 299 E HN 0.258 nan 8.360 nan 0.000 0.458 300 L N 0.998 122.254 121.223 0.054 0.000 1.994 300 L HA -0.217 4.128 4.340 0.009 0.000 0.208 300 L C 2.411 179.329 176.870 0.079 0.000 1.071 300 L CA 1.413 56.293 54.840 0.067 0.000 0.745 300 L CB -0.351 41.743 42.059 0.057 0.000 0.892 300 L HN 0.034 nan 8.230 nan 0.000 0.431 301 K N 0.012 120.453 120.400 0.067 0.000 2.211 301 K HA -0.189 4.137 4.320 0.009 0.000 0.204 301 K C 2.087 178.725 176.600 0.064 0.000 1.047 301 K CA 1.191 57.518 56.287 0.067 0.000 0.935 301 K CB -0.064 32.471 32.500 0.059 0.000 0.728 301 K HN 0.312 nan 8.250 nan 0.000 0.452 302 K N 0.636 121.067 120.400 0.052 0.000 2.062 302 K HA -0.064 4.262 4.320 0.009 0.000 0.205 302 K C 1.957 178.571 176.600 0.024 0.000 1.051 302 K CA 0.874 57.181 56.287 0.033 0.000 0.941 302 K CB 0.109 32.624 32.500 0.024 0.000 0.719 302 K HN -0.029 nan 8.250 nan 0.000 0.440 303 K N 0.702 121.124 120.400 0.038 0.000 2.097 303 K HA -0.032 4.294 4.320 0.009 0.000 0.205 303 K C 2.159 178.804 176.600 0.074 0.000 1.050 303 K CA 1.137 57.429 56.287 0.008 0.000 0.938 303 K CB -0.336 32.204 32.500 0.066 0.000 0.718 303 K HN 0.114 nan 8.250 nan 0.000 0.442 304 A N 2.157 125.103 122.820 0.210 0.000 1.908 304 A HA -0.201 4.124 4.320 0.009 0.000 0.218 304 A C 2.053 179.773 177.584 0.227 0.000 1.181 304 A CA 1.714 53.949 52.037 0.331 0.000 0.627 304 A CB -0.387 18.713 19.000 0.166 0.000 0.818 304 A HN 0.296 nan 8.150 nan 0.000 0.445 305 K N -0.363 120.098 120.400 0.102 0.000 2.280 305 K HA -0.057 4.269 4.320 0.009 0.000 0.202 305 K C 1.695 178.308 176.600 0.022 0.000 1.047 305 K CA 1.240 57.563 56.287 0.059 0.000 0.942 305 K CB -0.280 32.240 32.500 0.033 0.000 0.739 305 K HN 0.376 nan 8.250 nan 0.000 0.457 306 V N 0.358 120.242 119.914 -0.049 0.000 2.548 306 V HA -0.224 3.902 4.120 0.009 0.000 0.249 306 V C 1.712 177.717 176.094 -0.149 0.000 1.055 306 V CA 1.514 63.723 62.300 -0.151 0.000 1.065 306 V CB -0.629 31.016 31.823 -0.296 0.000 0.681 306 V HN 0.240 nan 8.190 nan 0.000 0.462 307 Y N 0.504 120.808 120.300 0.007 0.000 2.184 307 Y HA -0.137 4.418 4.550 0.009 0.000 0.290 307 Y C 2.492 178.399 175.900 0.012 0.000 1.129 307 Y CA 1.319 59.424 58.100 0.008 0.000 1.144 307 Y CB -0.364 38.100 38.460 0.008 0.000 0.995 307 Y HN 0.255 nan 8.280 nan 0.000 0.513 308 D N 0.439 120.946 120.400 0.179 0.000 2.354 308 D HA -0.137 4.508 4.640 0.009 0.000 0.216 308 D C 1.304 177.645 176.300 0.068 0.000 0.970 308 D CA 1.024 55.087 54.000 0.106 0.000 0.905 308 D CB -0.193 40.657 40.800 0.083 0.000 0.903 308 D HN 0.474 nan 8.370 nan 0.000 0.508 309 K N 0.243 120.674 120.400 0.053 0.000 2.418 309 K HA 0.069 4.395 4.320 0.009 0.000 0.195 309 K C 1.839 178.458 176.600 0.032 0.000 1.035 309 K CA 0.446 56.750 56.287 0.029 0.000 1.003 309 K CB 0.489 32.993 32.500 0.007 0.000 0.793 309 K HN 0.336 nan 8.250 nan 0.000 0.494 310 I N -4.945 115.655 120.570 0.050 0.000 4.620 310 I HA 0.299 4.475 4.170 0.009 0.000 0.347 310 I C 0.230 176.383 176.117 0.061 0.000 1.302 310 I CA -0.629 60.700 61.300 0.048 0.000 1.277 310 I CB 0.547 38.573 38.000 0.043 0.000 1.566 310 I HN -0.252 nan 8.210 nan 0.000 0.547 311 A N 2.250 125.116 122.820 0.078 0.000 2.407 311 A HA 0.524 4.849 4.320 0.009 0.000 0.248 311 A C -0.084 177.533 177.584 0.055 0.000 1.082 311 A CA 0.006 52.088 52.037 0.076 0.000 0.785 311 A CB 0.373 19.428 19.000 0.092 0.000 1.020 311 A HN 0.368 nan 8.150 nan 0.000 0.489 312 K N 1.224 121.651 120.400 0.046 0.000 2.164 312 K HA 0.244 4.569 4.320 0.009 0.000 0.258 312 K C -1.060 175.560 176.600 0.034 0.000 0.951 312 K CA -0.706 55.601 56.287 0.033 0.000 0.844 312 K CB 1.608 34.120 32.500 0.021 0.000 1.099 312 K HN 0.733 nan 8.250 nan 0.000 0.435 313 D N 3.037 123.456 120.400 0.031 0.000 2.393 313 D HA 0.046 4.692 4.640 0.009 0.000 0.232 313 D C -0.435 175.875 176.300 0.016 0.000 1.192 313 D CA -0.333 53.690 54.000 0.039 0.000 0.882 313 D CB 0.812 41.635 40.800 0.038 0.000 1.038 313 D HN 0.123 nan 8.370 nan 0.000 0.499 314 V N 6.407 126.319 119.914 -0.002 0.000 2.416 314 V HA -0.064 4.062 4.120 0.009 0.000 0.260 314 V C 1.594 177.666 176.094 -0.036 0.000 1.018 314 V CA 0.554 62.800 62.300 -0.089 0.000 1.120 314 V CB -0.122 31.499 31.823 -0.337 0.000 1.081 314 V HN 0.428 nan 8.190 nan 0.000 0.474 315 K N 3.063 123.446 120.400 -0.029 0.000 2.444 315 K HA 0.116 4.442 4.320 0.009 0.000 0.193 315 K C 0.587 177.170 176.600 -0.028 0.000 1.024 315 K CA 0.124 56.405 56.287 -0.011 0.000 1.077 315 K CB 0.294 32.791 32.500 -0.006 0.000 0.833 315 K HN 0.568 nan 8.250 nan 0.000 0.517 316 Q N 0.551 120.314 119.800 -0.061 0.000 2.961 316 Q HA 0.326 4.671 4.340 0.009 0.000 0.223 316 Q C -1.584 174.341 176.000 -0.126 0.000 0.859 316 Q CA -0.162 55.594 55.803 -0.078 0.000 0.771 316 Q CB 1.319 30.015 28.738 -0.070 0.000 1.389 316 Q HN 0.203 nan 8.270 nan 0.000 0.460 317 A N 1.775 124.521 122.820 -0.124 0.000 2.242 317 A HA 1.017 5.342 4.320 0.009 0.000 0.304 317 A C -0.645 176.852 177.584 -0.144 0.000 1.100 317 A CA 0.092 52.033 52.037 -0.160 0.000 0.860 317 A CB 1.014 19.962 19.000 -0.086 0.000 1.168 317 A HN 1.070 nan 8.150 nan 0.000 0.503 318 A N -0.826 121.928 122.820 -0.111 0.000 2.547 318 A HA 0.555 4.880 4.320 0.009 0.000 0.298 318 A C -1.304 176.292 177.584 0.020 0.000 1.062 318 A CA -0.073 51.877 52.037 -0.145 0.000 0.748 318 A CB 0.822 19.571 19.000 -0.418 0.000 1.288 318 A HN 2.065 nan 8.150 nan 0.000 0.396 319 V N 3.720 123.659 119.914 0.041 0.000 2.604 319 V HA 0.650 4.776 4.120 0.009 0.000 0.305 319 V C -0.773 175.401 176.094 0.133 0.000 1.043 319 V CA -0.823 61.534 62.300 0.095 0.000 0.888 319 V CB 1.599 33.447 31.823 0.041 0.000 0.995 319 V HN 0.778 nan 8.190 nan 0.000 0.429 320 L N 7.816 129.134 121.223 0.157 0.000 2.449 320 L HA 0.788 5.133 4.340 0.009 0.000 0.255 320 L C 0.633 177.557 176.870 0.089 0.000 1.167 320 L CA 0.436 55.360 54.840 0.141 0.000 1.090 320 L CB -0.202 41.955 42.059 0.162 0.000 1.385 320 L HN 0.953 nan 8.230 nan 0.000 0.411 321 G N 0.665 109.504 108.800 0.064 0.000 2.341 321 G HA2 0.607 4.572 3.960 0.009 0.000 0.293 321 G HA3 0.607 4.572 3.960 0.009 0.000 0.293 321 G C -1.683 173.237 174.900 0.035 0.000 1.298 321 G CA 0.123 45.251 45.100 0.048 0.000 0.868 321 G HN 0.538 nan 8.290 nan 0.000 0.540 322 A N -2.978 119.861 122.820 0.032 0.000 3.281 322 A HA 1.124 5.450 4.320 0.009 0.000 0.302 322 A C 1.328 178.929 177.584 0.028 0.000 1.115 322 A CA 1.430 53.482 52.037 0.025 0.000 0.595 322 A CB 0.209 19.222 19.000 0.022 0.000 1.518 322 A HN 2.854 nan 8.150 nan 0.000 0.674 323 G N -0.601 108.214 108.800 0.024 0.000 2.889 323 G HA2 -0.283 3.682 3.960 0.009 0.000 0.308 323 G HA3 -0.283 3.682 3.960 0.009 0.000 0.308 323 G C 1.098 176.013 174.900 0.025 0.000 1.248 323 G CA 1.122 46.238 45.100 0.027 0.000 0.982 323 G HN 1.284 nan 8.290 nan 0.000 0.571 324 I N 0.072 120.661 120.570 0.031 0.000 2.641 324 I HA 0.081 4.257 4.170 0.009 0.000 0.232 324 I C 3.004 179.140 176.117 0.033 0.000 1.060 324 I CA 1.390 62.710 61.300 0.034 0.000 1.417 324 I CB -0.421 37.601 38.000 0.037 0.000 1.227 324 I HN 0.297 nan 8.210 nan 0.000 0.434 325 M N 0.920 120.539 119.600 0.031 0.000 2.193 325 M HA 0.037 4.523 4.480 0.009 0.000 0.265 325 M C 2.394 178.682 176.300 -0.020 0.000 1.071 325 M CA 1.603 56.913 55.300 0.016 0.000 1.140 325 M CB -1.837 30.787 32.600 0.040 0.000 1.369 325 M HN 0.371 nan 8.290 nan 0.000 0.423 326 G N 0.431 109.232 108.800 0.001 0.000 2.459 326 G HA2 -0.176 3.790 3.960 0.009 0.000 0.217 326 G HA3 -0.176 3.790 3.960 0.009 0.000 0.217 326 G C 1.592 176.488 174.900 -0.007 0.000 1.183 326 G CA 1.218 46.315 45.100 -0.005 0.000 0.776 326 G HN 0.541 nan 8.290 nan 0.000 0.552 327 G N 0.659 109.465 108.800 0.011 0.000 2.422 327 G HA2 0.073 4.039 3.960 0.009 0.000 0.218 327 G HA3 0.073 4.039 3.960 0.009 0.000 0.218 327 G C 1.762 176.694 174.900 0.053 0.000 1.146 327 G CA 1.387 46.502 45.100 0.024 0.000 0.769 327 G HN 0.629 nan 8.290 nan 0.000 0.547 328 G N 1.101 109.930 108.800 0.049 0.000 2.418 328 G HA2 -0.152 3.814 3.960 0.009 0.000 0.217 328 G HA3 -0.152 3.814 3.960 0.009 0.000 0.217 328 G C 1.759 176.688 174.900 0.048 0.000 1.158 328 G CA 0.785 45.950 45.100 0.108 0.000 0.771 328 G HN 0.442 nan 8.290 nan 0.000 0.545 329 I N 1.375 121.868 120.570 -0.129 0.000 2.286 329 I HA -0.148 4.028 4.170 0.009 0.000 0.248 329 I C 3.197 179.254 176.117 -0.100 0.000 1.115 329 I CA 0.913 62.030 61.300 -0.304 0.000 1.392 329 I CB -0.141 37.572 38.000 -0.478 0.000 1.065 329 I HN 0.243 nan 8.210 nan 0.000 0.418 330 A N -0.106 122.705 122.820 -0.016 0.000 2.014 330 A HA -0.224 4.101 4.320 0.009 0.000 0.218 330 A C 2.216 179.843 177.584 0.071 0.000 1.163 330 A CA 1.128 53.182 52.037 0.027 0.000 0.652 330 A CB -0.677 18.342 19.000 0.031 0.000 0.808 330 A HN 0.494 nan 8.150 nan 0.000 0.449 331 Y N 0.186 120.470 120.300 -0.027 0.000 2.114 331 Y HA -0.155 4.401 4.550 0.009 0.000 0.284 331 Y C 2.528 178.424 175.900 -0.007 0.000 1.119 331 Y CA 1.982 60.074 58.100 -0.015 0.000 1.108 331 Y CB -0.475 37.981 38.460 -0.007 0.000 0.995 331 Y HN 0.263 nan 8.280 nan 0.000 0.491 332 Q N -0.139 119.605 119.800 -0.093 0.000 2.133 332 Q HA -0.243 4.103 4.340 0.009 0.000 0.208 332 Q C 2.570 178.472 176.000 -0.164 0.000 0.991 332 Q CA 1.932 57.634 55.803 -0.169 0.000 0.867 332 Q CB -0.823 27.912 28.738 -0.005 0.000 0.911 332 Q HN 0.497 nan 8.270 nan 0.000 0.417 333 S N -0.192 115.457 115.700 -0.086 0.000 2.368 333 S HA -0.102 4.373 4.470 0.009 0.000 0.225 333 S C 1.881 176.458 174.600 -0.038 0.000 1.030 333 S CA 1.194 59.383 58.200 -0.017 0.000 0.999 333 S CB -0.022 63.241 63.200 0.106 0.000 0.844 333 S HN 0.446 nan 8.310 nan 0.000 0.459 334 A N 0.479 123.250 122.820 -0.082 0.000 1.898 334 A HA 0.096 4.422 4.320 0.009 0.000 0.214 334 A C 2.308 179.803 177.584 -0.149 0.000 1.183 334 A CA 1.585 53.571 52.037 -0.085 0.000 0.622 334 A CB -0.962 18.003 19.000 -0.057 0.000 0.824 334 A HN 0.531 nan 8.150 nan 0.000 0.444 335 S N -0.037 115.482 115.700 -0.303 0.000 2.465 335 S HA -0.078 4.397 4.470 0.009 0.000 0.241 335 S C 1.533 176.020 174.600 -0.187 0.000 1.000 335 S CA 1.261 59.260 58.200 -0.335 0.000 0.964 335 S CB -0.045 62.768 63.200 -0.644 0.000 0.763 335 S HN 0.468 nan 8.310 nan 0.000 0.512 336 K N -0.151 120.165 120.400 -0.140 0.000 2.360 336 K HA 0.288 4.614 4.320 0.009 0.000 0.196 336 K C 0.915 177.488 176.600 -0.045 0.000 1.049 336 K CA 0.568 56.804 56.287 -0.085 0.000 1.049 336 K CB 0.735 33.186 32.500 -0.082 0.000 0.881 336 K HN 0.321 nan 8.250 nan 0.000 0.542 337 G N 1.768 110.546 108.800 -0.038 0.000 2.618 337 G HA2 -0.146 3.819 3.960 0.009 0.000 0.180 337 G HA3 -0.146 3.819 3.960 0.009 0.000 0.180 337 G C -0.483 174.426 174.900 0.015 0.000 1.092 337 G CA -0.329 44.763 45.100 -0.012 0.000 0.856 337 G HN 0.035 nan 8.290 nan 0.000 0.496 338 T N 1.119 115.687 114.554 0.023 0.000 3.187 338 T HA 0.455 4.810 4.350 0.009 0.000 0.328 338 T C -2.830 171.889 174.700 0.032 0.000 0.951 338 T CA -0.998 61.137 62.100 0.058 0.000 1.049 338 T CB 2.675 71.644 68.868 0.168 0.000 1.015 338 T HN 0.063 nan 8.240 nan 0.000 0.461 339 P HA 0.155 nan 4.420 nan 0.000 0.256 339 P C -0.486 176.794 177.300 -0.033 0.000 1.189 339 P CA 0.035 63.123 63.100 -0.019 0.000 0.808 339 P CB 0.104 31.786 31.700 -0.029 0.000 0.793 340 I N 4.226 124.780 120.570 -0.027 0.000 2.441 340 I HA 0.290 4.465 4.170 0.009 0.000 0.295 340 I C -0.447 175.622 176.117 -0.079 0.000 0.994 340 I CA -1.156 60.119 61.300 -0.041 0.000 1.144 340 I CB 1.051 39.059 38.000 0.014 0.000 1.314 340 I HN 0.067 nan 8.210 nan 0.000 0.445 341 L N 7.151 128.282 121.223 -0.153 0.000 2.421 341 L HA 0.441 4.787 4.340 0.009 0.000 0.263 341 L C -0.141 176.669 176.870 -0.100 0.000 1.122 341 L CA -0.392 54.333 54.840 -0.191 0.000 0.804 341 L CB 1.161 42.951 42.059 -0.449 0.000 1.150 341 L HN 0.625 nan 8.230 nan 0.000 0.457 342 M N 3.128 122.695 119.600 -0.055 0.000 2.007 342 M HA 0.268 4.754 4.480 0.009 0.000 0.285 342 M C -0.976 175.338 176.300 0.024 0.000 0.893 342 M CA -0.547 54.752 55.300 -0.002 0.000 0.925 342 M CB 0.764 33.362 32.600 -0.003 0.000 1.568 342 M HN 0.382 nan 8.290 nan 0.000 0.414 343 K N 2.798 123.244 120.400 0.077 0.000 2.143 343 K HA 0.420 4.746 4.320 0.009 0.000 0.272 343 K C -1.440 175.157 176.600 -0.006 0.000 1.001 343 K CA 0.136 56.450 56.287 0.044 0.000 0.915 343 K CB 1.167 33.721 32.500 0.091 0.000 1.047 343 K HN 0.736 nan 8.250 nan 0.000 0.458 344 D N 2.459 122.832 120.400 -0.045 0.000 2.654 344 D HA 0.123 4.768 4.640 0.009 0.000 0.231 344 D C 1.040 177.320 176.300 -0.035 0.000 1.239 344 D CA -0.419 53.568 54.000 -0.021 0.000 0.790 344 D CB 1.313 42.117 40.800 0.006 0.000 1.480 344 D HN 0.482 nan 8.370 nan 0.000 0.442 345 I N -0.238 120.325 120.570 -0.012 0.000 2.761 345 I HA 0.102 4.277 4.170 0.009 0.000 0.261 345 I C 0.231 176.351 176.117 0.004 0.000 1.198 345 I CA 0.182 61.478 61.300 -0.007 0.000 1.482 345 I CB -0.263 37.742 38.000 0.008 0.000 1.100 345 I HN 0.164 nan 8.210 nan 0.000 0.445 346 N N -0.002 118.708 118.700 0.017 0.000 2.265 346 N HA 0.166 4.912 4.740 0.009 0.000 0.300 346 N C 0.270 175.808 175.510 0.046 0.000 1.148 346 N CA -0.844 52.225 53.050 0.032 0.000 0.772 346 N CB 1.471 39.981 38.487 0.040 0.000 1.434 346 N HN 0.119 nan 8.380 nan 0.000 0.481 347 E N -0.315 119.914 120.200 0.048 0.000 2.110 347 E HA -0.325 4.030 4.350 0.009 0.000 0.193 347 E C 0.922 177.556 176.600 0.056 0.000 0.988 347 E CA 0.981 57.404 56.400 0.038 0.000 0.804 347 E CB -0.131 29.586 29.700 0.028 0.000 0.745 347 E HN 0.705 nan 8.360 nan 0.000 0.458 348 H N -0.138 118.930 119.070 -0.004 0.000 2.422 348 H HA -0.080 4.481 4.556 0.009 0.000 0.298 348 H C 1.802 177.129 175.328 -0.003 0.000 1.098 348 H CA 1.721 57.767 56.048 -0.003 0.000 1.315 348 H CB -0.168 29.592 29.762 -0.002 0.000 1.382 348 H HN 0.308 nan 8.280 nan 0.000 0.523 349 G N 0.894 109.800 108.800 0.177 0.000 2.404 349 G HA2 -0.156 3.809 3.960 0.009 0.000 0.215 349 G HA3 -0.156 3.809 3.960 0.009 0.000 0.215 349 G C 1.994 176.918 174.900 0.039 0.000 1.174 349 G CA 0.771 45.944 45.100 0.120 0.000 0.780 349 G HN 0.431 nan 8.290 nan 0.000 0.537 350 I N 0.766 121.346 120.570 0.017 0.000 2.567 350 I HA -0.115 4.060 4.170 0.009 0.000 0.257 350 I C 2.622 178.721 176.117 -0.031 0.000 1.184 350 I CA 0.705 62.002 61.300 -0.005 0.000 1.451 350 I CB -0.116 37.880 38.000 -0.007 0.000 1.089 350 I HN 0.129 nan 8.210 nan 0.000 0.441 351 E N 0.771 120.932 120.200 -0.066 0.000 2.015 351 E HA -0.198 4.157 4.350 0.009 0.000 0.191 351 E C 2.222 178.760 176.600 -0.102 0.000 0.991 351 E CA 1.092 57.423 56.400 -0.114 0.000 0.802 351 E CB -0.337 29.228 29.700 -0.224 0.000 0.759 351 E HN 0.491 nan 8.360 nan 0.000 0.447 352 Q N -0.066 119.670 119.800 -0.105 0.000 2.135 352 Q HA -0.111 4.234 4.340 0.009 0.000 0.204 352 Q C 2.222 178.204 176.000 -0.029 0.000 0.981 352 Q CA 1.453 57.222 55.803 -0.056 0.000 0.856 352 Q CB -0.796 27.941 28.738 -0.001 0.000 0.902 352 Q HN 0.366 nan 8.270 nan 0.000 0.425 353 G N 1.109 109.899 108.800 -0.017 0.000 2.453 353 G HA2 -0.210 3.755 3.960 0.009 0.000 0.215 353 G HA3 -0.210 3.755 3.960 0.009 0.000 0.215 353 G C 1.543 176.433 174.900 -0.017 0.000 1.201 353 G CA 0.678 45.774 45.100 -0.007 0.000 0.784 353 G HN 0.300 nan 8.290 nan 0.000 0.545 354 L N 0.785 121.995 121.223 -0.022 0.000 2.201 354 L HA 0.031 4.376 4.340 0.009 0.000 0.212 354 L C 3.344 180.192 176.870 -0.038 0.000 1.105 354 L CA 0.640 55.466 54.840 -0.023 0.000 0.775 354 L CB -0.467 41.578 42.059 -0.023 0.000 0.913 354 L HN 0.313 nan 8.230 nan 0.000 0.440 355 A N 0.331 123.122 122.820 -0.047 0.000 1.841 355 A HA -0.194 4.131 4.320 0.009 0.000 0.216 355 A C 2.241 179.786 177.584 -0.064 0.000 1.199 355 A CA 1.561 53.566 52.037 -0.054 0.000 0.621 355 A CB -0.434 18.532 19.000 -0.057 0.000 0.835 355 A HN 0.320 nan 8.150 nan 0.000 0.445 356 E N -0.113 120.049 120.200 -0.064 0.000 2.153 356 E HA -0.091 4.264 4.350 0.009 0.000 0.194 356 E C 2.165 178.668 176.600 -0.161 0.000 0.988 356 E CA 1.119 57.465 56.400 -0.089 0.000 0.811 356 E CB -0.569 29.098 29.700 -0.056 0.000 0.746 356 E HN 0.580 nan 8.360 nan 0.000 0.466 357 A N 0.907 123.648 122.820 -0.132 0.000 2.121 357 A HA 0.054 4.380 4.320 0.009 0.000 0.218 357 A C 2.229 179.716 177.584 -0.162 0.000 1.154 357 A CA 1.513 53.447 52.037 -0.172 0.000 0.679 357 A CB -0.151 18.837 19.000 -0.019 0.000 0.795 357 A HN 0.239 nan 8.150 nan 0.000 0.458 358 A N -0.199 122.554 122.820 -0.111 0.000 1.924 358 A HA 0.103 4.428 4.320 0.009 0.000 0.211 358 A C 1.936 179.459 177.584 -0.103 0.000 1.198 358 A CA 0.987 52.977 52.037 -0.077 0.000 0.657 358 A CB -0.197 18.774 19.000 -0.048 0.000 0.852 358 A HN 0.419 nan 8.150 nan 0.000 0.454 359 K N 0.094 120.422 120.400 -0.119 0.000 2.281 359 K HA -0.032 4.293 4.320 0.009 0.000 0.203 359 K C 1.587 178.093 176.600 -0.156 0.000 1.046 359 K CA 0.999 57.219 56.287 -0.112 0.000 0.938 359 K CB -0.325 32.117 32.500 -0.096 0.000 0.737 359 K HN 0.461 nan 8.250 nan 0.000 0.458 360 L N 0.340 121.404 121.223 -0.265 0.000 2.034 360 L HA -0.128 4.218 4.340 0.009 0.000 0.203 360 L C 2.297 179.055 176.870 -0.186 0.000 1.074 360 L CA 0.917 55.543 54.840 -0.356 0.000 0.748 360 L CB -0.503 41.073 42.059 -0.805 0.000 0.905 360 L HN 0.112 nan 8.230 nan 0.000 0.439 361 L N -0.493 120.660 121.223 -0.116 0.000 1.989 361 L HA -0.208 4.137 4.340 0.009 0.000 0.211 361 L C 2.534 179.398 176.870 -0.010 0.000 1.071 361 L CA 1.076 55.925 54.840 0.016 0.000 0.749 361 L CB -0.644 41.457 42.059 0.070 0.000 0.890 361 L HN 0.072 nan 8.230 nan 0.000 0.431 362 V N 0.225 120.122 119.914 -0.029 0.000 2.490 362 V HA -0.189 3.936 4.120 0.009 0.000 0.250 362 V C 2.556 178.633 176.094 -0.027 0.000 1.061 362 V CA 1.761 64.047 62.300 -0.023 0.000 1.064 362 V CB -1.320 30.487 31.823 -0.028 0.000 0.670 362 V HN 0.605 nan 8.190 nan 0.000 0.461 363 G N -0.150 108.622 108.800 -0.047 0.000 2.498 363 G HA2 -0.199 3.767 3.960 0.009 0.000 0.219 363 G HA3 -0.199 3.767 3.960 0.009 0.000 0.219 363 G C 1.759 176.644 174.900 -0.025 0.000 1.119 363 G CA 0.520 45.595 45.100 -0.043 0.000 0.766 363 G HN 0.500 nan 8.290 nan 0.000 0.552 364 R N -0.764 119.726 120.500 -0.017 0.000 2.195 364 R HA 0.165 4.511 4.340 0.009 0.000 0.197 364 R C 2.406 178.707 176.300 0.002 0.000 0.990 364 R CA 0.295 56.394 56.100 -0.002 0.000 1.048 364 R CB -0.036 30.269 30.300 0.009 0.000 0.997 364 R HN 0.261 nan 8.270 nan 0.000 0.502 365 V N 1.689 121.604 119.914 0.001 0.000 2.515 365 V HA -0.170 3.955 4.120 0.009 0.000 0.250 365 V C 0.455 176.549 176.094 0.001 0.000 1.058 365 V CA 1.718 64.020 62.300 0.003 0.000 1.064 365 V CB -0.372 31.453 31.823 0.003 0.000 0.675 365 V HN 0.181 nan 8.190 nan 0.000 0.461 366 D N -0.506 119.893 120.400 -0.002 0.000 2.519 366 D HA 0.132 4.777 4.640 0.009 0.000 0.238 366 D C 1.339 177.639 176.300 -0.000 0.000 1.192 366 D CA 0.334 54.333 54.000 -0.002 0.000 0.835 366 D CB 0.187 40.984 40.800 -0.005 0.000 0.975 366 D HN 0.273 nan 8.370 nan 0.000 0.490 367 K N -0.904 119.497 120.400 0.002 0.000 2.591 367 K HA 0.231 4.557 4.320 0.009 0.000 0.207 367 K C 0.570 177.174 176.600 0.006 0.000 1.711 367 K CA 0.529 56.818 56.287 0.005 0.000 1.059 367 K CB 0.837 33.340 32.500 0.005 0.000 1.449 367 K HN -0.027 nan 8.250 nan 0.000 0.605 368 G N 1.814 110.618 108.800 0.006 0.000 2.356 368 G HA2 -0.190 3.775 3.960 0.009 0.000 0.233 368 G HA3 -0.190 3.775 3.960 0.009 0.000 0.233 368 G C 0.089 174.994 174.900 0.009 0.000 1.105 368 G CA 0.299 45.404 45.100 0.007 0.000 0.861 368 G HN 0.179 nan 8.290 nan 0.000 0.493 369 R N -0.959 119.546 120.500 0.009 0.000 2.513 369 R HA 0.520 4.865 4.340 0.009 0.000 0.245 369 R C 0.755 177.062 176.300 0.011 0.000 0.908 369 R CA 0.759 56.866 56.100 0.011 0.000 1.023 369 R CB 0.726 31.033 30.300 0.012 0.000 1.338 369 R HN 0.553 nan 8.270 nan 0.000 0.575 370 M N 0.278 119.885 119.600 0.011 0.000 2.371 370 M HA 0.391 4.877 4.480 0.009 0.000 0.287 370 M C -1.291 175.015 176.300 0.010 0.000 1.149 370 M CA -0.417 54.890 55.300 0.012 0.000 0.929 370 M CB 2.300 34.911 32.600 0.018 0.000 1.683 370 M HN -0.048 nan 8.290 nan 0.000 0.470 371 T N 5.447 120.005 114.554 0.008 0.000 2.884 371 T HA 0.217 4.573 4.350 0.009 0.000 0.298 371 T C -2.112 172.593 174.700 0.007 0.000 0.998 371 T CA -0.872 61.232 62.100 0.007 0.000 1.124 371 T CB 0.838 69.709 68.868 0.005 0.000 0.931 371 T HN 0.493 nan 8.240 nan 0.000 0.531 372 P HA -0.114 nan 4.420 nan 0.000 0.217 372 P C 1.422 178.726 177.300 0.006 0.000 1.148 372 P CA 0.802 63.905 63.100 0.006 0.000 0.828 372 P CB 0.042 31.744 31.700 0.004 0.000 0.783 373 A N -0.080 122.743 122.820 0.005 0.000 1.978 373 A HA -0.243 4.082 4.320 0.009 0.000 0.220 373 A C 2.010 179.596 177.584 0.003 0.000 1.170 373 A CA 1.770 53.809 52.037 0.003 0.000 0.636 373 A CB -0.911 18.091 19.000 0.003 0.000 0.810 373 A HN 0.224 nan 8.150 nan 0.000 0.448 374 K N -1.211 119.191 120.400 0.004 0.000 2.186 374 K HA 0.094 4.419 4.320 0.009 0.000 0.202 374 K C 2.077 178.681 176.600 0.007 0.000 1.052 374 K CA 1.096 57.385 56.287 0.003 0.000 0.965 374 K CB -0.230 32.271 32.500 0.002 0.000 0.746 374 K HN 0.566 nan 8.250 nan 0.000 0.457 375 M N 1.041 120.649 119.600 0.013 0.000 2.213 375 M HA -0.153 4.332 4.480 0.009 0.000 0.263 375 M C 2.125 178.436 176.300 0.018 0.000 1.062 375 M CA 1.488 56.802 55.300 0.023 0.000 1.105 375 M CB -0.076 32.536 32.600 0.020 0.000 1.385 375 M HN 0.199 nan 8.290 nan 0.000 0.417 376 A N 0.475 123.301 122.820 0.010 0.000 1.855 376 A HA -0.189 4.136 4.320 0.009 0.000 0.215 376 A C 1.811 179.398 177.584 0.005 0.000 1.191 376 A CA 1.906 53.947 52.037 0.007 0.000 0.613 376 A CB -0.842 18.160 19.000 0.004 0.000 0.829 376 A HN 0.658 nan 8.150 nan 0.000 0.442 377 E N -0.259 119.942 120.200 0.002 0.000 2.070 377 E HA -0.176 4.179 4.350 0.009 0.000 0.197 377 E C 2.003 178.600 176.600 -0.004 0.000 1.004 377 E CA 1.587 57.985 56.400 -0.003 0.000 0.805 377 E CB -0.398 29.299 29.700 -0.006 0.000 0.744 377 E HN 0.416 nan 8.360 nan 0.000 0.451 378 V N 1.413 121.325 119.914 -0.002 0.000 2.295 378 V HA -0.240 3.885 4.120 0.009 0.000 0.246 378 V C 2.287 178.390 176.094 0.015 0.000 1.049 378 V CA 1.488 63.785 62.300 -0.004 0.000 1.024 378 V CB -0.443 31.382 31.823 0.004 0.000 0.648 378 V HN 0.264 nan 8.190 nan 0.000 0.447 379 L N 0.373 121.611 121.223 0.024 0.000 2.465 379 L HA -0.059 4.287 4.340 0.009 0.000 0.224 379 L C 2.127 179.003 176.870 0.010 0.000 1.145 379 L CA 0.804 55.659 54.840 0.024 0.000 0.834 379 L CB -0.517 41.555 42.059 0.021 0.000 0.944 379 L HN 0.408 nan 8.230 nan 0.000 0.451 380 N N -0.020 118.682 118.700 0.003 0.000 2.415 380 N HA -0.022 4.724 4.740 0.009 0.000 0.176 380 N C 1.874 177.379 175.510 -0.008 0.000 1.042 380 N CA 1.048 54.096 53.050 -0.003 0.000 0.902 380 N CB 0.093 38.578 38.487 -0.004 0.000 0.986 380 N HN 0.279 nan 8.380 nan 0.000 0.447 381 G N 1.030 109.826 108.800 -0.008 0.000 2.421 381 G HA2 -0.008 3.957 3.960 0.009 0.000 0.217 381 G HA3 -0.008 3.957 3.960 0.009 0.000 0.217 381 G C 0.708 175.599 174.900 -0.016 0.000 1.143 381 G CA 0.047 45.139 45.100 -0.013 0.000 0.784 381 G HN 0.197 nan 8.290 nan 0.000 0.541 382 I N 1.258 121.824 120.570 -0.006 0.000 2.379 382 I HA 0.249 4.425 4.170 0.009 0.000 0.290 382 I C 0.026 176.133 176.117 -0.017 0.000 1.063 382 I CA -0.080 61.216 61.300 -0.007 0.000 1.351 382 I CB 0.880 38.889 38.000 0.015 0.000 1.410 382 I HN -0.060 nan 8.210 nan 0.000 0.505 383 R N 7.157 127.637 120.500 -0.034 0.000 2.358 383 R HA 0.383 4.729 4.340 0.009 0.000 0.309 383 R C -2.552 173.725 176.300 -0.039 0.000 1.026 383 R CA -1.781 54.297 56.100 -0.037 0.000 0.909 383 R CB 1.281 31.551 30.300 -0.049 0.000 1.153 383 R HN 0.281 nan 8.270 nan 0.000 0.515 384 P HA 0.038 nan 4.420 nan 0.000 0.269 384 P C -0.388 176.902 177.300 -0.016 0.000 1.215 384 P CA 0.131 63.220 63.100 -0.018 0.000 0.780 384 P CB 0.986 32.678 31.700 -0.014 0.000 0.898 385 T N 1.245 115.793 114.554 -0.010 0.000 2.893 385 T HA 0.361 4.717 4.350 0.009 0.000 0.337 385 T C -0.298 174.388 174.700 -0.024 0.000 1.587 385 T CA -0.505 61.592 62.100 -0.006 0.000 1.066 385 T CB 0.329 69.210 68.868 0.021 0.000 1.414 385 T HN 0.123 nan 8.240 nan 0.000 0.488 386 L N 2.324 123.523 121.223 -0.040 0.000 2.858 386 L HA 0.401 4.747 4.340 0.009 0.000 0.251 386 L C 0.642 177.439 176.870 -0.123 0.000 1.149 386 L CA -0.192 54.607 54.840 -0.069 0.000 0.955 386 L CB 0.714 42.752 42.059 -0.035 0.000 1.289 386 L HN 0.700 nan 8.230 nan 0.000 0.542 387 S N -2.778 112.847 115.700 -0.126 0.000 2.632 387 S HA 0.426 4.901 4.470 0.009 0.000 0.289 387 S C -0.322 174.137 174.600 -0.234 0.000 1.115 387 S CA -0.608 57.496 58.200 -0.161 0.000 0.889 387 S CB 0.952 64.122 63.200 -0.049 0.000 1.116 387 S HN 0.067 nan 8.310 nan 0.000 0.486 388 Y N 0.800 120.926 120.300 -0.291 0.000 2.496 388 Y HA 0.304 4.860 4.550 0.009 0.000 0.313 388 Y C 2.098 177.899 175.900 -0.165 0.000 1.184 388 Y CA -0.060 57.765 58.100 -0.458 0.000 1.275 388 Y CB -0.517 37.327 38.460 -1.026 0.000 1.103 388 Y HN 0.936 nan 8.280 nan 0.000 0.513 389 G N -0.311 108.521 108.800 0.052 0.000 2.471 389 G HA2 -0.176 3.790 3.960 0.009 0.000 0.219 389 G HA3 -0.176 3.790 3.960 0.009 0.000 0.219 389 G C 1.186 176.166 174.900 0.133 0.000 1.125 389 G CA 0.878 46.022 45.100 0.073 0.000 0.775 389 G HN 0.318 nan 8.290 nan 0.000 0.548 390 D N -0.293 120.225 120.400 0.196 0.000 2.369 390 D HA 0.084 4.730 4.640 0.009 0.000 0.211 390 D C 0.784 177.145 176.300 0.103 0.000 1.077 390 D CA -0.244 53.821 54.000 0.108 0.000 0.842 390 D CB 0.093 40.901 40.800 0.013 0.000 0.947 390 D HN 0.284 nan 8.370 nan 0.000 0.509 391 F N 1.306 121.278 119.950 0.036 0.000 2.816 391 F HA 0.158 4.690 4.527 0.009 0.000 0.302 391 F C 2.341 178.183 175.800 0.070 0.000 1.178 391 F CA -0.171 57.871 58.000 0.069 0.000 1.421 391 F CB -0.360 38.727 39.000 0.145 0.000 1.114 391 F HN -0.036 nan 8.300 nan 0.000 0.573 392 G N 0.617 109.536 108.800 0.199 0.000 2.479 392 G HA2 -0.277 3.689 3.960 0.009 0.000 0.220 392 G HA3 -0.277 3.689 3.960 0.009 0.000 0.220 392 G C 1.226 176.178 174.900 0.087 0.000 1.115 392 G CA 1.035 46.216 45.100 0.136 0.000 0.757 392 G HN 0.460 nan 8.290 nan 0.000 0.560 393 N N -0.426 118.307 118.700 0.054 0.000 2.377 393 N HA 0.095 4.840 4.740 0.009 0.000 0.259 393 N C -0.423 175.085 175.510 -0.004 0.000 1.332 393 N CA -0.232 52.832 53.050 0.023 0.000 0.877 393 N CB 0.370 38.861 38.487 0.007 0.000 1.299 393 N HN -0.011 nan 8.380 nan 0.000 0.501 394 V N 1.373 121.289 119.914 0.003 0.000 2.614 394 V HA 0.086 4.211 4.120 0.009 0.000 0.291 394 V C 0.820 176.906 176.094 -0.013 0.000 1.049 394 V CA 0.032 62.309 62.300 -0.038 0.000 1.038 394 V CB 1.352 33.147 31.823 -0.046 0.000 0.980 394 V HN 0.198 nan 8.190 nan 0.000 0.481 395 D N 3.045 123.409 120.400 -0.059 0.000 2.346 395 D HA 0.215 4.860 4.640 0.009 0.000 0.206 395 D C 0.120 176.374 176.300 -0.076 0.000 1.001 395 D CA 0.695 54.659 54.000 -0.058 0.000 0.871 395 D CB 1.177 41.928 40.800 -0.080 0.000 0.943 395 D HN 0.353 nan 8.370 nan 0.000 0.518 396 L N 0.662 121.817 121.223 -0.113 0.000 2.611 396 L HA 0.261 4.606 4.340 0.009 0.000 0.260 396 L C -1.904 174.942 176.870 -0.039 0.000 0.924 396 L CA -0.519 54.260 54.840 -0.102 0.000 0.901 396 L CB 2.283 44.180 42.059 -0.270 0.000 1.369 396 L HN -0.375 nan 8.230 nan 0.000 0.415 397 V N 4.659 124.623 119.914 0.084 0.000 2.555 397 V HA 0.573 4.699 4.120 0.009 0.000 0.302 397 V C -0.509 175.703 176.094 0.197 0.000 1.038 397 V CA -0.644 61.755 62.300 0.164 0.000 0.887 397 V CB 2.007 33.991 31.823 0.267 0.000 0.991 397 V HN 0.448 nan 8.190 nan 0.000 0.434 398 V N 3.433 123.467 119.914 0.200 0.000 2.409 398 V HA 0.396 4.521 4.120 0.009 0.000 0.291 398 V C 0.084 176.296 176.094 0.197 0.000 1.020 398 V CA -0.610 61.823 62.300 0.220 0.000 0.848 398 V CB 1.655 33.612 31.823 0.224 0.000 0.990 398 V HN 0.903 nan 8.190 nan 0.000 0.430 399 E N 3.906 124.235 120.200 0.214 0.000 2.194 399 E HA 0.464 4.819 4.350 0.009 0.000 0.284 399 E C 0.172 176.865 176.600 0.154 0.000 1.035 399 E CA -0.186 56.323 56.400 0.182 0.000 0.836 399 E CB 1.746 31.561 29.700 0.192 0.000 1.070 399 E HN 0.788 nan 8.360 nan 0.000 0.401 400 A N 5.099 127.990 122.820 0.118 0.000 2.594 400 A HA 0.224 4.549 4.320 0.009 0.000 0.287 400 A C 0.231 177.863 177.584 0.081 0.000 1.227 400 A CA -0.386 51.708 52.037 0.095 0.000 0.952 400 A CB 0.292 19.331 19.000 0.065 0.000 1.161 400 A HN 0.382 nan 8.150 nan 0.000 0.524 401 V N 0.500 120.465 119.914 0.085 0.000 3.096 401 V HA 0.048 4.174 4.120 0.009 0.000 0.306 401 V C 1.095 177.224 176.094 0.059 0.000 1.088 401 V CA -0.322 62.018 62.300 0.067 0.000 1.129 401 V CB 1.022 32.886 31.823 0.067 0.000 1.014 401 V HN 0.271 nan 8.190 nan 0.000 0.486 402 V N 1.918 121.858 119.914 0.044 0.000 3.209 402 V HA -0.017 4.108 4.120 0.009 0.000 0.305 402 V C 0.781 176.897 176.094 0.037 0.000 1.127 402 V CA -0.239 62.081 62.300 0.033 0.000 1.235 402 V CB -0.020 31.813 31.823 0.017 0.000 0.987 402 V HN 0.822 nan 8.190 nan 0.000 0.499 403 E N 4.202 124.421 120.200 0.031 0.000 2.059 403 E HA 0.085 4.440 4.350 0.009 0.000 0.262 403 E C -0.145 176.474 176.600 0.032 0.000 1.230 403 E CA 0.331 56.756 56.400 0.040 0.000 0.951 403 E CB -0.284 29.447 29.700 0.051 0.000 1.038 403 E HN 0.610 nan 8.360 nan 0.000 0.425 404 N N 4.427 123.149 118.700 0.037 0.000 2.812 404 N HA 0.108 4.853 4.740 0.009 0.000 0.262 404 N C -2.476 173.053 175.510 0.031 0.000 1.241 404 N CA -1.277 51.791 53.050 0.028 0.000 0.854 404 N CB 1.564 40.062 38.487 0.018 0.000 1.506 404 N HN -0.107 nan 8.380 nan 0.000 0.576 405 P HA -0.174 nan 4.420 nan 0.000 0.216 405 P C 1.258 178.567 177.300 0.015 0.000 1.157 405 P CA 1.511 64.628 63.100 0.028 0.000 0.880 405 P CB 0.511 32.227 31.700 0.026 0.000 0.791 406 K N -0.206 120.201 120.400 0.011 0.000 2.020 406 K HA -0.137 4.189 4.320 0.009 0.000 0.212 406 K C 1.840 178.440 176.600 0.002 0.000 1.050 406 K CA 1.643 57.932 56.287 0.003 0.000 0.929 406 K CB -1.229 31.273 32.500 0.003 0.000 0.714 406 K HN -0.109 nan 8.250 nan 0.000 0.443 407 V N 1.115 121.034 119.914 0.008 0.000 2.261 407 V HA -0.252 3.874 4.120 0.009 0.000 0.246 407 V C 2.108 178.209 176.094 0.012 0.000 1.047 407 V CA 2.109 64.416 62.300 0.011 0.000 1.015 407 V CB -0.484 31.349 31.823 0.018 0.000 0.642 407 V HN 0.345 nan 8.190 nan 0.000 0.446 408 K N -0.157 120.255 120.400 0.020 0.000 2.160 408 K HA -0.268 4.058 4.320 0.009 0.000 0.206 408 K C 2.246 178.836 176.600 -0.016 0.000 1.047 408 K CA 1.794 58.094 56.287 0.022 0.000 0.930 408 K CB -0.248 32.280 32.500 0.046 0.000 0.720 408 K HN 0.574 nan 8.250 nan 0.000 0.450 409 Q N -0.121 119.663 119.800 -0.027 0.000 2.123 409 Q HA -0.074 4.271 4.340 0.009 0.000 0.199 409 Q C 2.183 178.147 176.000 -0.060 0.000 0.966 409 Q CA 1.238 57.006 55.803 -0.058 0.000 0.845 409 Q CB -0.063 28.649 28.738 -0.043 0.000 0.907 409 Q HN 0.355 nan 8.270 nan 0.000 0.439 410 A N 0.246 123.044 122.820 -0.036 0.000 1.929 410 A HA -0.085 4.241 4.320 0.009 0.000 0.216 410 A C 2.270 179.832 177.584 -0.037 0.000 1.176 410 A CA 0.957 52.973 52.037 -0.036 0.000 0.628 410 A CB -0.412 18.576 19.000 -0.018 0.000 0.816 410 A HN 0.173 nan 8.150 nan 0.000 0.444 411 V N 0.193 120.098 119.914 -0.015 0.000 2.229 411 V HA -0.231 3.895 4.120 0.009 0.000 0.243 411 V C 2.534 178.612 176.094 -0.027 0.000 1.042 411 V CA 1.867 64.172 62.300 0.009 0.000 1.000 411 V CB -0.999 30.853 31.823 0.049 0.000 0.637 411 V HN 0.554 nan 8.190 nan 0.000 0.446 412 L N 0.317 121.513 121.223 -0.045 0.000 2.043 412 L HA -0.251 4.095 4.340 0.009 0.000 0.212 412 L C 2.732 179.526 176.870 -0.127 0.000 1.075 412 L CA 1.793 56.578 54.840 -0.091 0.000 0.752 412 L CB -0.834 41.106 42.059 -0.197 0.000 0.891 412 L HN 0.408 nan 8.230 nan 0.000 0.432 413 A N -0.397 122.345 122.820 -0.131 0.000 1.902 413 A HA -0.267 4.058 4.320 0.009 0.000 0.217 413 A C 2.277 179.768 177.584 -0.156 0.000 1.181 413 A CA 1.897 53.854 52.037 -0.133 0.000 0.623 413 A CB -0.516 18.418 19.000 -0.111 0.000 0.818 413 A HN 0.507 nan 8.150 nan 0.000 0.443 414 E N -0.183 119.916 120.200 -0.168 0.000 2.150 414 E HA -0.106 4.250 4.350 0.009 0.000 0.193 414 E C 1.718 178.086 176.600 -0.386 0.000 0.985 414 E CA 1.270 57.517 56.400 -0.253 0.000 0.814 414 E CB -0.054 29.512 29.700 -0.223 0.000 0.752 414 E HN 0.372 nan 8.360 nan 0.000 0.466 415 V N 0.986 120.713 119.914 -0.312 0.000 2.379 415 V HA -0.178 3.948 4.120 0.009 0.000 0.245 415 V C 2.275 178.282 176.094 -0.144 0.000 1.044 415 V CA 1.894 64.024 62.300 -0.284 0.000 1.036 415 V CB -0.512 31.279 31.823 -0.053 0.000 0.664 415 V HN 0.300 nan 8.190 nan 0.000 0.453 416 E N 0.503 120.632 120.200 -0.118 0.000 2.331 416 E HA -0.217 4.139 4.350 0.009 0.000 0.199 416 E C 1.852 178.386 176.600 -0.110 0.000 1.008 416 E CA 0.953 57.306 56.400 -0.078 0.000 0.843 416 E CB -0.012 29.639 29.700 -0.082 0.000 0.761 416 E HN 0.605 nan 8.360 nan 0.000 0.507 417 N N -0.529 118.047 118.700 -0.205 0.000 2.376 417 N HA -0.072 4.673 4.740 0.009 0.000 0.177 417 N C 1.363 176.678 175.510 -0.325 0.000 1.024 417 N CA 0.712 53.592 53.050 -0.283 0.000 0.893 417 N CB 0.057 38.305 38.487 -0.399 0.000 0.980 417 N HN 0.356 nan 8.380 nan 0.000 0.439 418 H N 0.250 119.231 119.070 -0.148 0.000 2.418 418 H HA 0.088 4.650 4.556 0.009 0.000 0.300 418 H C 1.044 176.384 175.328 0.021 0.000 1.041 418 H CA 0.172 56.174 56.048 -0.077 0.000 1.364 418 H CB 0.123 29.802 29.762 -0.138 0.000 1.439 418 H HN -0.016 nan 8.280 nan 0.000 0.540 419 V N 0.807 120.813 119.914 0.153 0.000 3.376 419 V HA 0.150 4.275 4.120 0.009 0.000 0.303 419 V C 0.935 177.082 176.094 0.089 0.000 1.100 419 V CA -0.812 61.584 62.300 0.160 0.000 1.126 419 V CB 0.964 32.886 31.823 0.165 0.000 1.085 419 V HN 0.112 nan 8.190 nan 0.000 0.480 420 R N 0.873 121.423 120.500 0.083 0.000 2.747 420 R HA 0.187 4.533 4.340 0.009 0.000 0.278 420 R C 1.578 177.902 176.300 0.039 0.000 1.153 420 R CA 0.363 56.494 56.100 0.052 0.000 1.206 420 R CB 0.283 30.611 30.300 0.047 0.000 1.161 420 R HN 0.961 nan 8.270 nan 0.000 0.589 421 E N 0.500 120.716 120.200 0.027 0.000 2.250 421 E HA -0.121 4.234 4.350 0.009 0.000 0.192 421 E C 0.518 177.136 176.600 0.030 0.000 0.986 421 E CA 0.906 57.319 56.400 0.022 0.000 0.849 421 E CB 0.040 29.748 29.700 0.013 0.000 0.797 421 E HN 0.637 nan 8.360 nan 0.000 0.482 422 D N 1.770 122.189 120.400 0.031 0.000 2.349 422 D HA 0.045 4.691 4.640 0.009 0.000 0.215 422 D C 0.634 176.956 176.300 0.038 0.000 1.016 422 D CA 0.153 54.172 54.000 0.032 0.000 0.870 422 D CB 0.013 40.828 40.800 0.026 0.000 0.917 422 D HN 0.196 nan 8.370 nan 0.000 0.524 423 A N 0.655 123.502 122.820 0.044 0.000 2.483 423 A HA 0.350 4.675 4.320 0.009 0.000 0.238 423 A C -0.029 177.594 177.584 0.065 0.000 1.070 423 A CA -0.176 51.892 52.037 0.051 0.000 0.770 423 A CB 0.024 19.066 19.000 0.070 0.000 1.008 423 A HN 0.158 nan 8.150 nan 0.000 0.497 424 I N 1.901 122.507 120.570 0.060 0.000 2.359 424 I HA 0.348 4.523 4.170 0.009 0.000 0.294 424 I C 0.127 176.319 176.117 0.124 0.000 0.987 424 I CA 0.291 61.640 61.300 0.083 0.000 1.225 424 I CB 1.220 39.250 38.000 0.050 0.000 1.366 424 I HN 0.506 nan 8.210 nan 0.000 0.466 425 L N 5.288 126.635 121.223 0.207 0.000 2.358 425 L HA 0.958 5.303 4.340 0.009 0.000 0.268 425 L C 0.016 177.095 176.870 0.347 0.000 1.032 425 L CA -0.772 54.252 54.840 0.308 0.000 0.805 425 L CB 1.495 43.774 42.059 0.367 0.000 1.253 425 L HN 0.749 nan 8.230 nan 0.000 0.452 426 A N 0.751 123.791 122.820 0.367 0.000 2.589 426 A HA 0.612 4.937 4.320 0.009 0.000 0.296 426 A C -1.182 176.593 177.584 0.319 0.000 1.062 426 A CA -0.397 51.757 52.037 0.197 0.000 0.686 426 A CB 1.973 21.051 19.000 0.131 0.000 1.282 426 A HN 0.494 nan 8.150 nan 0.000 0.404 427 S N -0.135 115.686 115.700 0.202 0.000 2.537 427 S HA 0.517 4.993 4.470 0.009 0.000 0.301 427 S C 0.290 175.006 174.600 0.193 0.000 1.092 427 S CA -0.404 57.956 58.200 0.268 0.000 1.048 427 S CB 1.195 64.613 63.200 0.363 0.000 1.053 427 S HN 0.799 nan 8.310 nan 0.000 0.501 428 N N 1.912 120.740 118.700 0.214 0.000 2.203 428 N HA 0.134 4.880 4.740 0.009 0.000 0.207 428 N C 0.306 175.910 175.510 0.156 0.000 1.130 428 N CA -0.023 53.172 53.050 0.241 0.000 0.861 428 N CB 0.506 39.158 38.487 0.275 0.000 1.005 428 N HN 0.598 nan 8.380 nan 0.000 0.507 429 T N -1.174 113.451 114.554 0.120 0.000 2.908 429 T HA 0.035 4.390 4.350 0.009 0.000 0.325 429 T C 1.246 175.879 174.700 -0.112 0.000 1.092 429 T CA 0.799 62.930 62.100 0.052 0.000 1.125 429 T CB 0.453 69.377 68.868 0.093 0.000 1.016 429 T HN 0.350 nan 8.240 nan 0.000 0.550 430 S N 0.492 116.070 115.700 -0.202 0.000 2.589 430 S HA 0.133 4.609 4.470 0.009 0.000 0.235 430 S C 1.186 175.510 174.600 -0.460 0.000 1.051 430 S CA 0.386 58.310 58.200 -0.460 0.000 0.978 430 S CB 0.191 63.276 63.200 -0.192 0.000 0.929 430 S HN 0.902 nan 8.310 nan 0.000 0.523 431 T N -0.077 114.319 114.554 -0.263 0.000 3.337 431 T HA 0.568 4.924 4.350 0.009 0.000 0.299 431 T C -0.140 174.466 174.700 -0.158 0.000 0.998 431 T CA -0.426 61.522 62.100 -0.252 0.000 0.948 431 T CB -0.422 68.346 68.868 -0.166 0.000 1.170 431 T HN 0.338 nan 8.240 nan 0.000 0.508 432 I N 1.183 121.686 120.570 -0.112 0.000 2.582 432 I HA 0.469 4.644 4.170 0.009 0.000 0.292 432 I C 0.077 176.233 176.117 0.066 0.000 1.066 432 I CA -1.217 60.079 61.300 -0.007 0.000 1.053 432 I CB 2.310 40.337 38.000 0.045 0.000 1.241 432 I HN 0.104 nan 8.210 nan 0.000 0.421 433 S N 3.586 119.332 115.700 0.076 0.000 2.549 433 S HA 0.189 4.664 4.470 0.009 0.000 0.283 433 S C 0.947 175.653 174.600 0.176 0.000 1.320 433 S CA -0.158 58.123 58.200 0.135 0.000 1.058 433 S CB 0.425 63.676 63.200 0.085 0.000 0.882 433 S HN 0.430 nan 8.310 nan 0.000 0.498 434 I N 4.706 125.399 120.570 0.206 0.000 2.406 434 I HA -0.045 4.130 4.170 0.009 0.000 0.249 434 I C 2.536 178.798 176.117 0.243 0.000 1.122 434 I CA 1.185 62.621 61.300 0.227 0.000 1.431 434 I CB -0.688 37.354 38.000 0.070 0.000 1.087 434 I HN 0.634 nan 8.210 nan 0.000 0.424 435 S N 0.482 116.275 115.700 0.155 0.000 2.419 435 S HA -0.141 4.334 4.470 0.009 0.000 0.235 435 S C 1.966 176.633 174.600 0.111 0.000 1.019 435 S CA 1.178 59.455 58.200 0.127 0.000 0.982 435 S CB -0.443 62.807 63.200 0.083 0.000 0.789 435 S HN 0.458 nan 8.310 nan 0.000 0.490 436 L N 0.923 122.210 121.223 0.106 0.000 2.102 436 L HA 0.143 4.488 4.340 0.009 0.000 0.202 436 L C 1.677 178.587 176.870 0.066 0.000 1.076 436 L CA 1.030 55.912 54.840 0.071 0.000 0.761 436 L CB -0.155 41.938 42.059 0.057 0.000 0.921 436 L HN 0.231 nan 8.230 nan 0.000 0.444 437 L N 0.060 121.348 121.223 0.109 0.000 2.456 437 L HA -0.051 4.294 4.340 0.009 0.000 0.224 437 L C 2.443 179.278 176.870 -0.058 0.000 1.148 437 L CA 0.602 55.475 54.840 0.056 0.000 0.825 437 L CB -0.685 41.465 42.059 0.151 0.000 0.937 437 L HN 0.330 nan 8.230 nan 0.000 0.450 438 A N -0.133 122.725 122.820 0.064 0.000 2.081 438 A HA -0.026 4.300 4.320 0.009 0.000 0.214 438 A C 2.059 179.630 177.584 -0.021 0.000 1.158 438 A CA 0.351 52.399 52.037 0.020 0.000 0.724 438 A CB -0.069 19.099 19.000 0.280 0.000 0.826 438 A HN 0.263 nan 8.150 nan 0.000 0.463 439 K N 0.148 120.546 120.400 -0.003 0.000 2.555 439 K HA 0.138 4.464 4.320 0.009 0.000 0.193 439 K C 1.594 178.171 176.600 -0.038 0.000 1.032 439 K CA 0.564 56.845 56.287 -0.010 0.000 1.004 439 K CB -0.055 32.447 32.500 0.003 0.000 0.804 439 K HN 0.447 nan 8.250 nan 0.000 0.496 440 A N 0.864 123.640 122.820 -0.074 0.000 1.973 440 A HA 0.143 4.469 4.320 0.009 0.000 0.210 440 A C 0.897 178.421 177.584 -0.101 0.000 1.200 440 A CA -0.016 51.970 52.037 -0.085 0.000 0.707 440 A CB 0.061 18.999 19.000 -0.103 0.000 0.862 440 A HN 0.091 nan 8.150 nan 0.000 0.461 441 L N 0.413 121.555 121.223 -0.135 0.000 2.452 441 L HA 0.108 4.453 4.340 0.009 0.000 0.267 441 L C 1.526 178.355 176.870 -0.068 0.000 1.188 441 L CA -0.070 54.696 54.840 -0.123 0.000 0.821 441 L CB 0.636 42.596 42.059 -0.166 0.000 1.102 441 L HN 0.496 nan 8.230 nan 0.000 0.470 442 K N 0.801 121.167 120.400 -0.056 0.000 2.393 442 K HA 0.131 4.457 4.320 0.009 0.000 0.193 442 K C 0.346 176.935 176.600 -0.017 0.000 1.026 442 K CA 0.391 56.656 56.287 -0.036 0.000 1.064 442 K CB 0.346 32.822 32.500 -0.040 0.000 0.833 442 K HN 0.487 nan 8.250 nan 0.000 0.521 443 R N 0.927 121.420 120.500 -0.011 0.000 2.653 443 R HA 0.190 4.535 4.340 0.009 0.000 0.269 443 R C -2.522 173.805 176.300 0.045 0.000 1.603 443 R CA -1.451 54.658 56.100 0.015 0.000 1.671 443 R CB 1.235 31.545 30.300 0.017 0.000 1.300 443 R HN 0.016 nan 8.270 nan 0.000 0.668 444 P HA -0.150 nan 4.420 nan 0.000 0.223 444 P C 0.426 177.814 177.300 0.147 0.000 1.144 444 P CA 1.107 64.275 63.100 0.115 0.000 0.783 444 P CB 0.415 32.170 31.700 0.091 0.000 0.771 445 E N -0.607 119.650 120.200 0.095 0.000 2.110 445 E HA -0.131 4.225 4.350 0.009 0.000 0.193 445 E C 1.224 177.880 176.600 0.093 0.000 0.988 445 E CA 0.965 57.413 56.400 0.080 0.000 0.804 445 E CB -0.848 28.885 29.700 0.054 0.000 0.745 445 E HN 0.311 nan 8.360 nan 0.000 0.458 446 N N -0.126 118.641 118.700 0.112 0.000 2.362 446 N HA 0.028 4.773 4.740 0.009 0.000 0.204 446 N C -0.781 174.847 175.510 0.196 0.000 1.166 446 N CA 0.093 53.214 53.050 0.119 0.000 0.831 446 N CB 0.185 38.730 38.487 0.097 0.000 1.008 446 N HN 0.053 nan 8.380 nan 0.000 0.472 447 F N 1.587 121.553 119.950 0.027 0.000 2.482 447 F HA 0.448 4.981 4.527 0.009 0.000 0.331 447 F C 0.199 176.015 175.800 0.027 0.000 1.115 447 F CA -0.970 57.048 58.000 0.031 0.000 0.955 447 F CB 0.958 39.976 39.000 0.030 0.000 1.136 447 F HN -0.207 nan 8.300 nan 0.000 0.452 448 V N 1.870 121.344 119.914 -0.734 0.000 3.247 448 V HA 1.004 5.130 4.120 0.009 0.000 0.310 448 V C -0.538 175.077 176.094 -0.799 0.000 1.409 448 V CA -0.617 61.314 62.300 -0.614 0.000 1.013 448 V CB 1.111 32.775 31.823 -0.264 0.000 1.118 448 V HN 1.037 nan 8.190 nan 0.000 0.480 449 G N 0.212 108.756 108.800 -0.426 0.000 2.707 449 G HA2 0.648 4.613 3.960 0.009 0.000 0.299 449 G HA3 0.648 4.613 3.960 0.009 0.000 0.299 449 G C -1.306 173.488 174.900 -0.176 0.000 1.442 449 G CA -0.512 44.401 45.100 -0.312 0.000 1.009 449 G HN 0.820 nan 8.290 nan 0.000 0.515 450 M N 3.297 122.872 119.600 -0.040 0.000 2.018 450 M HA 0.325 4.810 4.480 0.009 0.000 0.311 450 M C -0.939 175.433 176.300 0.120 0.000 0.928 450 M CA -0.659 54.642 55.300 0.003 0.000 0.911 450 M CB 0.746 33.434 32.600 0.146 0.000 1.447 450 M HN 0.721 nan 8.290 nan 0.000 0.407 451 H N 4.613 123.620 119.070 -0.104 0.000 2.741 451 H HA 0.336 4.897 4.556 0.009 0.000 0.282 451 H C -1.347 173.932 175.328 -0.082 0.000 1.122 451 H CA -0.532 55.505 56.048 -0.019 0.000 1.293 451 H CB 0.598 30.366 29.762 0.011 0.000 1.415 451 H HN 0.525 nan 8.280 nan 0.000 0.472 452 F N 3.660 123.656 119.950 0.077 0.000 2.380 452 F HA 0.297 4.829 4.527 0.009 0.000 0.319 452 F C -0.175 175.531 175.800 -0.156 0.000 1.113 452 F CA -0.343 57.691 58.000 0.056 0.000 1.056 452 F CB 0.645 39.696 39.000 0.086 0.000 1.289 452 F HN 0.382 nan 8.300 nan 0.000 0.515 453 F N -0.194 119.818 119.950 0.103 0.000 2.618 453 F HA 0.337 4.870 4.527 0.009 0.000 0.332 453 F C 0.020 175.847 175.800 0.044 0.000 1.061 453 F CA -1.187 56.824 58.000 0.017 0.000 0.974 453 F CB 0.939 39.904 39.000 -0.057 0.000 1.310 453 F HN 0.250 nan 8.300 nan 0.000 0.491 454 N N 1.643 120.469 118.700 0.210 0.000 2.425 454 N HA 0.404 5.149 4.740 0.009 0.000 0.268 454 N C -2.949 172.587 175.510 0.043 0.000 0.991 454 N CA -1.493 51.612 53.050 0.093 0.000 0.931 454 N CB 1.275 39.808 38.487 0.076 0.000 1.130 454 N HN 0.210 nan 8.380 nan 0.000 0.493 455 P HA 0.180 nan 4.420 nan 0.000 0.282 455 P C 1.004 178.211 177.300 -0.155 0.000 1.249 455 P CA -0.612 62.374 63.100 -0.190 0.000 0.806 455 P CB 1.312 32.713 31.700 -0.499 0.000 0.984 456 V N 1.351 121.233 119.914 -0.053 0.000 2.594 456 V HA -0.234 3.892 4.120 0.009 0.000 0.253 456 V C 1.725 177.881 176.094 0.104 0.000 1.069 456 V CA 2.192 64.546 62.300 0.089 0.000 1.082 456 V CB -1.795 30.075 31.823 0.078 0.000 0.680 456 V HN 0.748 nan 8.190 nan 0.000 0.469 457 H N -2.997 116.156 119.070 0.139 0.000 2.539 457 H HA 0.248 4.809 4.556 0.009 0.000 0.269 457 H C 1.675 177.062 175.328 0.099 0.000 0.980 457 H CA 0.419 56.562 56.048 0.158 0.000 1.152 457 H CB -0.037 29.865 29.762 0.234 0.000 1.407 457 H HN 0.230 nan 8.280 nan 0.000 0.564 458 M N -0.092 119.416 119.600 -0.153 0.000 2.925 458 M HA 0.256 4.742 4.480 0.009 0.000 0.249 458 M C 0.170 176.442 176.300 -0.047 0.000 1.439 458 M CA 0.288 55.551 55.300 -0.061 0.000 1.217 458 M CB 0.110 32.632 32.600 -0.130 0.000 1.245 458 M HN 0.211 nan 8.290 nan 0.000 0.552 459 M N 1.816 121.384 119.600 -0.053 0.000 2.219 459 M HA 0.161 4.646 4.480 0.009 0.000 0.353 459 M C -1.609 174.631 176.300 -0.100 0.000 1.304 459 M CA -1.817 53.437 55.300 -0.077 0.000 1.115 459 M CB -0.328 32.246 32.600 -0.043 0.000 1.664 459 M HN -0.148 nan 8.290 nan 0.000 0.459 460 P HA -0.001 nan 4.420 nan 0.000 0.213 460 P C 0.350 177.470 177.300 -0.300 0.000 1.169 460 P CA 0.226 63.158 63.100 -0.281 0.000 0.885 460 P CB 0.105 31.533 31.700 -0.452 0.000 0.779 461 L N 0.334 121.359 121.223 -0.330 0.000 2.543 461 L HA 0.033 4.378 4.340 0.009 0.000 0.285 461 L C -0.475 176.296 176.870 -0.164 0.000 1.236 461 L CA 0.705 55.382 54.840 -0.271 0.000 0.871 461 L CB 0.044 41.898 42.059 -0.342 0.000 1.121 461 L HN -0.221 nan 8.230 nan 0.000 0.501 462 V N 5.174 125.002 119.914 -0.142 0.000 2.595 462 V HA 0.217 4.342 4.120 0.009 0.000 0.269 462 V C -0.404 175.601 176.094 -0.147 0.000 0.982 462 V CA -0.807 61.365 62.300 -0.214 0.000 0.873 462 V CB 1.009 32.550 31.823 -0.469 0.000 1.051 462 V HN 0.794 nan 8.190 nan 0.000 0.466 463 E N 2.448 122.646 120.200 -0.003 0.000 2.415 463 E HA 0.219 4.574 4.350 0.009 0.000 0.263 463 E C -0.445 176.080 176.600 -0.126 0.000 0.995 463 E CA -0.136 56.251 56.400 -0.020 0.000 0.915 463 E CB 1.663 31.420 29.700 0.094 0.000 0.951 463 E HN 0.405 nan 8.360 nan 0.000 0.449 464 V N 5.746 125.567 119.914 -0.155 0.000 2.247 464 V HA 0.119 4.245 4.120 0.009 0.000 0.262 464 V C -0.059 175.911 176.094 -0.207 0.000 1.096 464 V CA -0.503 61.688 62.300 -0.181 0.000 0.895 464 V CB -0.352 31.364 31.823 -0.178 0.000 1.141 464 V HN 0.510 nan 8.190 nan 0.000 0.478 465 I N 4.021 124.410 120.570 -0.301 0.000 2.648 465 I HA 0.244 4.420 4.170 0.009 0.000 0.284 465 I C 0.690 176.661 176.117 -0.242 0.000 1.153 465 I CA 0.535 61.618 61.300 -0.361 0.000 1.426 465 I CB 0.224 37.863 38.000 -0.601 0.000 1.381 465 I HN 0.486 nan 8.210 nan 0.000 0.571 466 R N 4.402 124.803 120.500 -0.164 0.000 2.360 466 R HA 0.624 4.970 4.340 0.009 0.000 0.318 466 R C -0.075 176.186 176.300 -0.065 0.000 0.950 466 R CA -0.503 55.536 56.100 -0.102 0.000 0.837 466 R CB 1.007 31.279 30.300 -0.048 0.000 1.165 466 R HN 0.860 nan 8.270 nan 0.000 0.458 467 G N 1.634 110.400 108.800 -0.057 0.000 2.562 467 G HA2 0.033 3.998 3.960 0.009 0.000 0.275 467 G HA3 0.033 3.998 3.960 0.009 0.000 0.275 467 G C 0.543 175.458 174.900 0.026 0.000 1.196 467 G CA -0.473 44.630 45.100 0.005 0.000 0.908 467 G HN 0.872 nan 8.290 nan 0.000 0.524 468 E N -0.278 119.947 120.200 0.043 0.000 2.204 468 E HA -0.113 4.242 4.350 0.009 0.000 0.195 468 E C 1.104 177.729 176.600 0.041 0.000 0.990 468 E CA 0.752 57.175 56.400 0.039 0.000 0.821 468 E CB 0.046 29.769 29.700 0.039 0.000 0.750 468 E HN 0.225 nan 8.360 nan 0.000 0.477 469 K N 0.896 121.330 120.400 0.057 0.000 2.374 469 K HA 0.229 4.555 4.320 0.009 0.000 0.196 469 K C 0.080 176.718 176.600 0.064 0.000 1.023 469 K CA -0.022 56.302 56.287 0.061 0.000 1.103 469 K CB 0.858 33.404 32.500 0.075 0.000 0.848 469 K HN -0.021 nan 8.250 nan 0.000 0.528 470 S N 1.668 117.398 115.700 0.050 0.000 2.576 470 S HA 0.120 4.595 4.470 0.009 0.000 0.276 470 S C 0.522 175.141 174.600 0.031 0.000 1.339 470 S CA -0.418 57.803 58.200 0.034 0.000 1.039 470 S CB 0.976 64.169 63.200 -0.011 0.000 0.902 470 S HN 0.335 nan 8.310 nan 0.000 0.516 471 S N 1.193 116.914 115.700 0.035 0.000 2.690 471 S HA 0.391 4.867 4.470 0.009 0.000 0.291 471 S C 0.138 174.761 174.600 0.039 0.000 1.138 471 S CA -0.797 57.424 58.200 0.036 0.000 1.013 471 S CB 0.888 64.112 63.200 0.039 0.000 1.053 471 S HN 0.522 nan 8.310 nan 0.000 0.539 472 D N 0.493 120.919 120.400 0.043 0.000 2.144 472 D HA -0.062 4.584 4.640 0.009 0.000 0.200 472 D C 1.717 178.063 176.300 0.078 0.000 0.978 472 D CA 0.884 54.920 54.000 0.061 0.000 0.833 472 D CB -0.342 40.484 40.800 0.043 0.000 0.961 472 D HN 0.527 nan 8.370 nan 0.000 0.470 473 L N 0.275 121.533 121.223 0.058 0.000 2.093 473 L HA -0.103 4.243 4.340 0.009 0.000 0.208 473 L C 2.142 179.046 176.870 0.055 0.000 1.085 473 L CA 1.273 56.149 54.840 0.060 0.000 0.755 473 L CB -0.149 41.937 42.059 0.045 0.000 0.904 473 L HN -0.028 nan 8.230 nan 0.000 0.435 474 A N -0.705 122.142 122.820 0.045 0.000 1.877 474 A HA -0.159 4.166 4.320 0.009 0.000 0.216 474 A C 2.166 179.759 177.584 0.014 0.000 1.186 474 A CA 1.979 54.035 52.037 0.031 0.000 0.620 474 A CB -0.952 18.065 19.000 0.028 0.000 0.822 474 A HN 0.314 nan 8.150 nan 0.000 0.443 475 V N -0.146 119.779 119.914 0.019 0.000 2.307 475 V HA -0.207 3.919 4.120 0.009 0.000 0.245 475 V C 3.052 179.139 176.094 -0.012 0.000 1.045 475 V CA 1.828 64.125 62.300 -0.004 0.000 1.024 475 V CB -1.358 30.487 31.823 0.036 0.000 0.651 475 V HN 0.607 nan 8.190 nan 0.000 0.449 476 A N 0.090 122.965 122.820 0.092 0.000 1.908 476 A HA -0.253 4.072 4.320 0.009 0.000 0.218 476 A C 2.404 180.011 177.584 0.038 0.000 1.181 476 A CA 2.654 54.773 52.037 0.137 0.000 0.627 476 A CB -1.081 18.064 19.000 0.242 0.000 0.818 476 A HN 0.512 nan 8.150 nan 0.000 0.445 477 T N -0.189 114.392 114.554 0.045 0.000 2.746 477 T HA -0.130 4.225 4.350 0.009 0.000 0.267 477 T C 2.000 176.735 174.700 0.057 0.000 1.039 477 T CA 1.977 64.104 62.100 0.045 0.000 1.142 477 T CB -0.606 68.283 68.868 0.035 0.000 0.866 477 T HN 0.576 nan 8.240 nan 0.000 0.444 478 T N 1.933 116.505 114.554 0.030 0.000 2.746 478 T HA -0.074 4.282 4.350 0.009 0.000 0.267 478 T C 2.209 176.906 174.700 -0.005 0.000 1.039 478 T CA 0.942 63.075 62.100 0.055 0.000 1.142 478 T CB -0.550 68.312 68.868 -0.010 0.000 0.866 478 T HN 0.166 nan 8.240 nan 0.000 0.444 479 V N 1.918 121.755 119.914 -0.127 0.000 2.255 479 V HA -0.206 3.919 4.120 0.009 0.000 0.247 479 V C 2.940 178.962 176.094 -0.121 0.000 1.051 479 V CA 1.843 64.004 62.300 -0.231 0.000 1.018 479 V CB -1.354 30.144 31.823 -0.542 0.000 0.641 479 V HN 0.537 nan 8.190 nan 0.000 0.445 480 A N -0.784 122.009 122.820 -0.046 0.000 1.883 480 A HA -0.300 4.025 4.320 0.009 0.000 0.217 480 A C 2.212 179.838 177.584 0.069 0.000 1.186 480 A CA 2.289 54.339 52.037 0.021 0.000 0.624 480 A CB -0.884 18.152 19.000 0.060 0.000 0.822 480 A HN 0.657 nan 8.150 nan 0.000 0.444 481 Y N 0.700 120.985 120.300 -0.024 0.000 2.274 481 Y HA -0.044 4.512 4.550 0.009 0.000 0.290 481 Y C 2.522 178.425 175.900 0.006 0.000 1.145 481 Y CA 0.838 58.940 58.100 0.003 0.000 1.203 481 Y CB -0.582 37.893 38.460 0.024 0.000 0.984 481 Y HN 0.306 nan 8.280 nan 0.000 0.533 482 A N -0.012 122.722 122.820 -0.143 0.000 1.897 482 A HA -0.105 4.220 4.320 0.009 0.000 0.215 482 A C 2.175 179.642 177.584 -0.195 0.000 1.181 482 A CA 1.639 53.527 52.037 -0.248 0.000 0.620 482 A CB -0.571 18.292 19.000 -0.229 0.000 0.821 482 A HN 0.330 nan 8.150 nan 0.000 0.443 483 K N 0.484 120.804 120.400 -0.133 0.000 2.147 483 K HA -0.084 4.241 4.320 0.009 0.000 0.205 483 K C 1.901 178.451 176.600 -0.084 0.000 1.049 483 K CA 1.855 58.081 56.287 -0.102 0.000 0.936 483 K CB -0.259 32.201 32.500 -0.066 0.000 0.722 483 K HN 0.425 nan 8.250 nan 0.000 0.446 484 K N -0.362 119.995 120.400 -0.071 0.000 2.211 484 K HA 0.009 4.335 4.320 0.009 0.000 0.203 484 K C 1.090 177.639 176.600 -0.085 0.000 1.050 484 K CA 1.027 57.286 56.287 -0.046 0.000 0.945 484 K CB 0.050 32.560 32.500 0.017 0.000 0.732 484 K HN 0.195 nan 8.250 nan 0.000 0.451 485 M N 0.321 119.830 119.600 -0.152 0.000 2.608 485 M HA 0.100 4.586 4.480 0.009 0.000 0.224 485 M C 0.344 176.581 176.300 -0.105 0.000 1.204 485 M CA 0.359 55.571 55.300 -0.147 0.000 0.984 485 M CB 0.587 33.066 32.600 -0.203 0.000 1.691 485 M HN 0.326 nan 8.290 nan 0.000 0.469 486 G N 1.727 110.469 108.800 -0.097 0.000 2.314 486 G HA2 -0.219 3.747 3.960 0.009 0.000 0.292 486 G HA3 -0.219 3.747 3.960 0.009 0.000 0.292 486 G C -0.025 174.804 174.900 -0.117 0.000 1.059 486 G CA 0.229 45.274 45.100 -0.091 0.000 0.982 486 G HN 0.360 nan 8.290 nan 0.000 0.505 487 K N -0.632 119.682 120.400 -0.143 0.000 2.307 487 K HA 0.516 4.841 4.320 0.009 0.000 0.239 487 K C 0.022 176.483 176.600 -0.231 0.000 1.083 487 K CA -1.048 55.124 56.287 -0.190 0.000 0.913 487 K CB 0.739 33.130 32.500 -0.182 0.000 1.322 487 K HN 0.102 nan 8.250 nan 0.000 0.514 488 N N 2.343 120.872 118.700 -0.285 0.000 2.762 488 N HA 0.236 4.981 4.740 0.009 0.000 0.252 488 N C -2.642 172.769 175.510 -0.165 0.000 1.269 488 N CA -1.003 51.892 53.050 -0.258 0.000 0.799 488 N CB 1.688 39.860 38.487 -0.526 0.000 1.173 488 N HN 0.255 nan 8.380 nan 0.000 0.516 489 P HA 0.329 nan 4.420 nan 0.000 0.275 489 P C -0.384 176.849 177.300 -0.110 0.000 1.227 489 P CA -0.126 62.879 63.100 -0.158 0.000 0.781 489 P CB 1.493 33.072 31.700 -0.203 0.000 0.906 490 I N 2.432 122.947 120.570 -0.093 0.000 2.529 490 I HA 0.141 4.316 4.170 0.009 0.000 0.284 490 I C -0.035 176.045 176.117 -0.062 0.000 1.088 490 I CA -1.247 60.023 61.300 -0.050 0.000 1.062 490 I CB 2.313 40.310 38.000 -0.005 0.000 1.218 490 I HN 0.006 nan 8.210 nan 0.000 0.442 491 V N 6.936 126.815 119.914 -0.058 0.000 2.540 491 V HA 0.125 4.251 4.120 0.009 0.000 0.297 491 V C 0.198 176.274 176.094 -0.030 0.000 1.024 491 V CA 0.039 62.308 62.300 -0.052 0.000 1.105 491 V CB 0.953 32.783 31.823 0.011 0.000 0.938 491 V HN 0.421 nan 8.190 nan 0.000 0.482 492 V N 4.872 124.745 119.914 -0.068 0.000 2.709 492 V HA 0.416 4.542 4.120 0.009 0.000 0.308 492 V C -0.109 175.941 176.094 -0.074 0.000 1.062 492 V CA -1.094 61.175 62.300 -0.051 0.000 0.901 492 V CB 2.253 34.044 31.823 -0.054 0.000 1.003 492 V HN 0.843 nan 8.190 nan 0.000 0.425 493 N N 2.114 120.808 118.700 -0.009 0.000 2.520 493 N HA 0.120 4.865 4.740 0.009 0.000 0.273 493 N C -0.370 175.160 175.510 0.033 0.000 1.155 493 N CA -0.264 52.789 53.050 0.005 0.000 0.967 493 N CB 0.994 39.505 38.487 0.040 0.000 1.092 493 N HN 0.840 nan 8.380 nan 0.000 0.457 494 D N 1.097 121.510 120.400 0.021 0.000 2.520 494 D HA 0.050 4.695 4.640 0.009 0.000 0.243 494 D C -0.458 175.959 176.300 0.195 0.000 1.160 494 D CA 0.227 54.291 54.000 0.108 0.000 0.877 494 D CB 0.056 40.908 40.800 0.087 0.000 1.150 494 D HN 0.540 nan 8.370 nan 0.000 0.494 495 C N 2.350 121.853 119.300 0.338 0.000 3.241 495 C HA 0.522 4.988 4.460 0.009 0.000 0.348 495 C C -2.898 172.274 174.990 0.303 0.000 1.180 495 C CA -1.927 57.266 59.018 0.291 0.000 1.273 495 C CB 1.033 28.966 27.740 0.322 0.000 1.620 495 C HN 0.414 nan 8.230 nan 0.000 0.510 496 P HA 0.307 nan 4.420 nan 0.000 0.253 496 P C 1.149 178.521 177.300 0.119 0.000 1.170 496 P CA 2.744 65.918 63.100 0.123 0.000 0.806 496 P CB -0.108 31.683 31.700 0.150 0.000 0.775 497 G N 2.477 111.166 108.800 -0.185 0.000 2.194 497 G HA2 -0.304 3.661 3.960 0.009 0.000 0.236 497 G HA3 -0.304 3.661 3.960 0.009 0.000 0.236 497 G C 0.636 175.548 174.900 0.020 0.000 0.987 497 G CA -0.071 44.941 45.100 -0.147 0.000 0.635 497 G HN 0.502 nan 8.290 nan 0.000 0.520 498 F N -2.327 117.691 119.950 0.115 0.000 2.756 498 F HA -0.369 4.163 4.527 0.009 0.000 0.240 498 F C 1.858 177.728 175.800 0.116 0.000 1.487 498 F CA 1.263 59.333 58.000 0.118 0.000 1.859 498 F CB -1.477 37.609 39.000 0.144 0.000 1.319 498 F HN 0.329 nan 8.300 nan 0.000 0.230 499 L N -0.198 121.260 121.223 0.392 0.000 2.488 499 L HA 0.118 4.463 4.340 0.009 0.000 0.186 499 L C 2.024 179.019 176.870 0.210 0.000 1.124 499 L CA 1.447 56.422 54.840 0.225 0.000 0.838 499 L CB -0.773 41.386 42.059 0.167 0.000 1.107 499 L HN 0.414 nan 8.230 nan 0.000 0.494 500 V N 1.599 121.682 119.914 0.282 0.000 2.220 500 V HA -0.302 3.824 4.120 0.009 0.000 0.246 500 V C 2.268 178.526 176.094 0.274 0.000 1.049 500 V CA 2.416 64.874 62.300 0.263 0.000 1.003 500 V CB -1.176 30.878 31.823 0.385 0.000 0.634 500 V HN 0.471 nan 8.190 nan 0.000 0.444 501 N N 0.039 118.949 118.700 0.349 0.000 2.223 501 N HA -0.170 4.576 4.740 0.009 0.000 0.185 501 N C 1.886 177.612 175.510 0.360 0.000 1.016 501 N CA 1.189 54.485 53.050 0.410 0.000 0.863 501 N CB -0.437 38.253 38.487 0.337 0.000 0.983 501 N HN 0.426 nan 8.380 nan 0.000 0.429 502 R N 0.422 121.039 120.500 0.194 0.000 2.189 502 R HA 0.007 4.352 4.340 0.009 0.000 0.223 502 R C 0.662 176.998 176.300 0.060 0.000 1.092 502 R CA 0.854 56.996 56.100 0.070 0.000 0.989 502 R CB 0.168 30.472 30.300 0.007 0.000 0.876 502 R HN 0.109 nan 8.270 nan 0.000 0.457 503 V N -0.006 119.970 119.914 0.103 0.000 3.431 503 V HA -0.016 4.110 4.120 0.009 0.000 0.253 503 V C 1.978 178.109 176.094 0.062 0.000 1.184 503 V CA 0.343 62.676 62.300 0.055 0.000 1.104 503 V CB 0.179 32.015 31.823 0.022 0.000 0.799 503 V HN 0.245 nan 8.190 nan 0.000 0.462 504 L N -0.830 120.456 121.223 0.104 0.000 2.056 504 L HA -0.104 4.242 4.340 0.009 0.000 0.207 504 L C 2.344 179.178 176.870 -0.060 0.000 1.078 504 L CA 1.927 56.742 54.840 -0.042 0.000 0.749 504 L CB -0.297 41.758 42.059 -0.008 0.000 0.901 504 L HN 0.265 nan 8.230 nan 0.000 0.433 505 F N -0.340 119.722 119.950 0.187 0.000 2.206 505 F HA -0.044 4.489 4.527 0.009 0.000 0.298 505 F C -0.386 175.513 175.800 0.164 0.000 1.090 505 F CA 0.728 58.891 58.000 0.272 0.000 1.323 505 F CB -1.960 37.147 39.000 0.177 0.000 1.028 505 F HN 0.088 nan 8.300 nan 0.000 0.492 506 P HA -0.212 nan 4.420 nan 0.000 0.219 506 P C 1.337 178.697 177.300 0.100 0.000 1.146 506 P CA 1.315 64.495 63.100 0.132 0.000 0.808 506 P CB -0.218 31.515 31.700 0.055 0.000 0.779 507 Y N -0.808 119.432 120.300 -0.099 0.000 2.220 507 Y HA -0.073 4.483 4.550 0.009 0.000 0.291 507 Y C 1.880 177.671 175.900 -0.181 0.000 1.129 507 Y CA 1.256 59.212 58.100 -0.240 0.000 1.161 507 Y CB -1.052 37.135 38.460 -0.456 0.000 0.997 507 Y HN -0.133 nan 8.280 nan 0.000 0.522 508 F N -0.260 119.612 119.950 -0.129 0.000 2.502 508 F HA -0.009 4.524 4.527 0.010 0.000 0.298 508 F C 2.465 178.281 175.800 0.027 0.000 1.111 508 F CA 0.577 58.494 58.000 -0.138 0.000 1.445 508 F CB -0.400 38.528 39.000 -0.120 0.000 1.081 508 F HN 0.166 nan 8.300 nan 0.000 0.558 509 G N -0.106 108.823 108.800 0.215 0.000 2.408 509 G HA2 -0.170 3.795 3.960 0.009 0.000 0.217 509 G HA3 -0.170 3.795 3.960 0.009 0.000 0.217 509 G C 1.958 176.962 174.900 0.172 0.000 1.150 509 G CA 0.764 45.976 45.100 0.186 0.000 0.776 509 G HN 0.451 nan 8.290 nan 0.000 0.542 510 G N 0.194 109.076 108.800 0.137 0.000 2.443 510 G HA2 -0.125 3.840 3.960 0.009 0.000 0.219 510 G HA3 -0.125 3.840 3.960 0.009 0.000 0.219 510 G C 1.540 176.585 174.900 0.241 0.000 1.131 510 G CA 0.803 46.031 45.100 0.214 0.000 0.775 510 G HN 0.342 nan 8.290 nan 0.000 0.547 511 F N 2.454 122.383 119.950 -0.036 0.000 2.128 511 F HA 0.188 4.720 4.527 0.009 0.000 0.295 511 F C 2.696 178.523 175.800 0.046 0.000 1.100 511 F CA 0.977 58.950 58.000 -0.046 0.000 1.260 511 F CB -0.510 38.429 39.000 -0.101 0.000 1.009 511 F HN 0.204 nan 8.300 nan 0.000 0.476 512 A N 0.623 123.415 122.820 -0.047 0.000 1.908 512 A HA -0.226 4.099 4.320 0.009 0.000 0.218 512 A C 2.284 179.821 177.584 -0.079 0.000 1.181 512 A CA 2.005 53.962 52.037 -0.133 0.000 0.627 512 A CB -0.738 18.278 19.000 0.027 0.000 0.818 512 A HN 0.483 nan 8.150 nan 0.000 0.445 513 K N -0.503 119.946 120.400 0.081 0.000 2.057 513 K HA -0.017 4.309 4.320 0.009 0.000 0.206 513 K C 1.896 178.629 176.600 0.223 0.000 1.050 513 K CA 1.246 57.657 56.287 0.207 0.000 0.935 513 K CB -0.381 32.312 32.500 0.322 0.000 0.715 513 K HN 0.461 nan 8.250 nan 0.000 0.439 514 L N 0.728 122.037 121.223 0.143 0.000 2.017 514 L HA -0.216 4.129 4.340 0.009 0.000 0.208 514 L C 2.378 179.145 176.870 -0.171 0.000 1.073 514 L CA 1.081 55.860 54.840 -0.101 0.000 0.745 514 L CB -0.540 41.458 42.059 -0.102 0.000 0.894 514 L HN -0.010 nan 8.230 nan 0.000 0.432 515 V N -1.074 118.688 119.914 -0.254 0.000 2.332 515 V HA -0.274 3.851 4.120 0.009 0.000 0.248 515 V C 2.444 178.427 176.094 -0.185 0.000 1.055 515 V CA 2.080 64.243 62.300 -0.229 0.000 1.038 515 V CB -0.563 31.054 31.823 -0.343 0.000 0.651 515 V HN 0.387 nan 8.190 nan 0.000 0.450 516 S N 0.238 115.814 115.700 -0.206 0.000 2.474 516 S HA 0.027 4.502 4.470 0.009 0.000 0.235 516 S C 1.808 176.322 174.600 -0.144 0.000 0.997 516 S CA 0.985 59.006 58.200 -0.297 0.000 0.949 516 S CB -0.249 62.751 63.200 -0.334 0.000 0.766 516 S HN 0.640 nan 8.310 nan 0.000 0.517 517 A N 0.530 123.309 122.820 -0.068 0.000 2.302 517 A HA 0.537 4.862 4.320 0.009 0.000 0.219 517 A C 1.461 179.000 177.584 -0.076 0.000 1.243 517 A CA 0.391 52.409 52.037 -0.033 0.000 0.856 517 A CB -0.825 18.136 19.000 -0.064 0.000 0.893 517 A HN 0.743 nan 8.150 nan 0.000 0.491 518 G N -1.037 107.712 108.800 -0.084 0.000 2.176 518 G HA2 -0.190 3.776 3.960 0.009 0.000 0.252 518 G HA3 -0.190 3.776 3.960 0.009 0.000 0.252 518 G C 0.039 174.888 174.900 -0.085 0.000 1.024 518 G CA 0.234 45.292 45.100 -0.069 0.000 0.755 518 G HN 0.839 nan 8.290 nan 0.000 0.507 519 V N 0.826 120.674 119.914 -0.111 0.000 2.383 519 V HA 0.365 4.490 4.120 0.009 0.000 0.275 519 V C 0.574 176.629 176.094 -0.065 0.000 1.036 519 V CA -0.826 61.402 62.300 -0.120 0.000 0.889 519 V CB 1.663 33.373 31.823 -0.189 0.000 0.985 519 V HN 0.381 nan 8.190 nan 0.000 0.459 520 D N 4.062 124.409 120.400 -0.088 0.000 2.451 520 D HA -0.035 4.610 4.640 0.009 0.000 0.254 520 D C 1.042 177.269 176.300 -0.121 0.000 1.204 520 D CA -0.129 53.782 54.000 -0.149 0.000 0.896 520 D CB 0.549 41.226 40.800 -0.205 0.000 1.136 520 D HN 0.477 nan 8.370 nan 0.000 0.499 521 F N 2.596 122.559 119.950 0.022 0.000 2.216 521 F HA -0.141 4.391 4.527 0.009 0.000 0.300 521 F C 1.729 177.577 175.800 0.080 0.000 1.085 521 F CA 0.246 58.310 58.000 0.108 0.000 1.326 521 F CB -0.945 38.166 39.000 0.185 0.000 1.027 521 F HN 0.195 nan 8.300 nan 0.000 0.497 522 V N 0.832 120.390 119.914 -0.593 0.000 2.594 522 V HA -0.237 3.889 4.120 0.009 0.000 0.253 522 V C 2.732 178.775 176.094 -0.085 0.000 1.069 522 V CA 2.190 64.316 62.300 -0.289 0.000 1.082 522 V CB -0.952 30.604 31.823 -0.445 0.000 0.680 522 V HN 0.431 nan 8.190 nan 0.000 0.469 523 R N -0.155 120.280 120.500 -0.108 0.000 2.080 523 R HA 0.025 4.371 4.340 0.009 0.000 0.222 523 R C 2.299 178.598 176.300 -0.000 0.000 1.107 523 R CA 1.004 57.074 56.100 -0.050 0.000 0.980 523 R CB -0.167 30.089 30.300 -0.073 0.000 0.879 523 R HN 0.432 nan 8.270 nan 0.000 0.439 524 I N 1.986 122.572 120.570 0.027 0.000 2.069 524 I HA -0.344 3.832 4.170 0.009 0.000 0.237 524 I C 1.755 177.899 176.117 0.044 0.000 1.053 524 I CA 2.071 63.402 61.300 0.052 0.000 1.311 524 I CB -0.637 37.457 38.000 0.156 0.000 1.030 524 I HN 0.336 nan 8.210 nan 0.000 0.398 525 D N 0.606 121.050 120.400 0.073 0.000 2.350 525 D HA -0.216 4.430 4.640 0.009 0.000 0.216 525 D C 1.879 178.223 176.300 0.074 0.000 0.968 525 D CA 0.837 54.867 54.000 0.050 0.000 0.894 525 D CB -0.360 40.494 40.800 0.091 0.000 0.909 525 D HN 0.328 nan 8.370 nan 0.000 0.520 526 K N 0.329 120.769 120.400 0.067 0.000 2.305 526 K HA 0.019 4.345 4.320 0.009 0.000 0.199 526 K C 1.308 177.951 176.600 0.071 0.000 1.047 526 K CA 0.419 56.742 56.287 0.059 0.000 0.976 526 K CB 0.318 32.839 32.500 0.035 0.000 0.765 526 K HN 0.076 nan 8.250 nan 0.000 0.474 527 V N 0.940 120.896 119.914 0.069 0.000 2.878 527 V HA -0.098 4.027 4.120 0.009 0.000 0.250 527 V C 2.087 178.273 176.094 0.153 0.000 1.075 527 V CA 0.728 63.084 62.300 0.092 0.000 1.096 527 V CB 0.007 31.861 31.823 0.052 0.000 0.724 527 V HN 0.304 nan 8.190 nan 0.000 0.467 528 M N -0.268 119.405 119.600 0.121 0.000 2.248 528 M HA -0.001 4.485 4.480 0.009 0.000 0.265 528 M C 2.070 178.586 176.300 0.361 0.000 1.079 528 M CA 1.275 56.687 55.300 0.186 0.000 1.150 528 M CB -1.029 31.550 32.600 -0.036 0.000 1.366 528 M HN 0.371 nan 8.290 nan 0.000 0.433 529 E N 0.194 120.533 120.200 0.232 0.000 2.150 529 E HA -0.184 4.172 4.350 0.009 0.000 0.193 529 E C 2.014 178.736 176.600 0.202 0.000 0.985 529 E CA 0.848 57.381 56.400 0.222 0.000 0.814 529 E CB -0.045 29.735 29.700 0.134 0.000 0.752 529 E HN 0.424 nan 8.360 nan 0.000 0.466 530 K N 0.327 120.840 120.400 0.189 0.000 2.217 530 K HA -0.111 4.214 4.320 0.009 0.000 0.202 530 K C 1.791 178.515 176.600 0.206 0.000 1.051 530 K CA 0.485 56.861 56.287 0.148 0.000 0.952 530 K CB -0.039 32.534 32.500 0.122 0.000 0.736 530 K HN 0.039 nan 8.250 nan 0.000 0.453 531 F N 0.119 120.161 119.950 0.153 0.000 2.293 531 F HA 0.004 4.536 4.527 0.008 0.000 0.300 531 F C 1.288 177.216 175.800 0.213 0.000 1.086 531 F CA 1.781 59.892 58.000 0.185 0.000 1.375 531 F CB 0.381 39.517 39.000 0.227 0.000 1.045 531 F HN 0.266 nan 8.300 nan 0.000 0.516 532 G N -1.951 106.980 108.800 0.219 0.000 2.624 532 G HA2 -0.214 3.752 3.960 0.009 0.000 0.190 532 G HA3 -0.214 3.752 3.960 0.009 0.000 0.190 532 G C -0.311 174.594 174.900 0.008 0.000 1.008 532 G CA -0.369 44.807 45.100 0.128 0.000 0.731 532 G HN 0.147 nan 8.290 nan 0.000 0.478 533 W N 1.842 123.165 121.300 0.037 0.000 2.264 533 W HA 0.484 5.149 4.660 0.008 0.000 0.331 533 W C -0.978 175.552 176.519 0.019 0.000 1.364 533 W CA -0.627 56.704 57.345 -0.023 0.000 1.253 533 W CB 0.381 29.824 29.460 -0.029 0.000 1.215 533 W HN 0.011 nan 8.180 nan 0.000 0.561 534 P HA -0.169 nan 4.420 nan 0.000 0.214 534 P C 0.153 177.571 177.300 0.197 0.000 1.163 534 P CA 1.798 64.990 63.100 0.152 0.000 0.883 534 P CB 0.179 31.943 31.700 0.107 0.000 0.788 535 M N -1.319 118.421 119.600 0.233 0.000 2.395 535 M HA 0.430 4.916 4.480 0.009 0.000 0.307 535 M C 0.454 176.870 176.300 0.193 0.000 1.091 535 M CA -0.848 54.613 55.300 0.268 0.000 0.919 535 M CB 2.396 35.124 32.600 0.212 0.000 1.662 535 M HN -0.178 nan 8.290 nan 0.000 0.440 536 G N 1.835 110.742 108.800 0.179 0.000 2.636 536 G HA2 0.279 4.245 3.960 0.009 0.000 0.246 536 G HA3 0.279 4.245 3.960 0.009 0.000 0.246 536 G C -2.275 172.562 174.900 -0.105 0.000 1.216 536 G CA -1.109 44.011 45.100 0.034 0.000 0.854 536 G HN 0.426 nan 8.290 nan 0.000 0.572 537 P HA -0.178 nan 4.420 nan 0.000 0.215 537 P C 2.144 179.006 177.300 -0.730 0.000 1.157 537 P CA 2.407 65.163 63.100 -0.575 0.000 0.874 537 P CB 0.176 31.277 31.700 -0.997 0.000 0.790 538 A N -1.166 121.139 122.820 -0.859 0.000 1.845 538 A HA -0.242 4.083 4.320 0.009 0.000 0.215 538 A C 2.308 179.794 177.584 -0.164 0.000 1.195 538 A CA 1.661 53.224 52.037 -0.790 0.000 0.616 538 A CB -2.102 16.692 19.000 -0.343 0.000 0.832 538 A HN 0.170 nan 8.150 nan 0.000 0.443 539 Y N 0.120 120.416 120.300 -0.006 0.000 2.384 539 Y HA -0.088 4.467 4.550 0.009 0.000 0.289 539 Y C 1.820 177.717 175.900 -0.004 0.000 1.152 539 Y CA 1.161 59.265 58.100 0.007 0.000 1.258 539 Y CB -0.244 38.134 38.460 -0.137 0.000 0.979 539 Y HN 0.256 nan 8.280 nan 0.000 0.549 540 L N -1.090 120.048 121.223 -0.141 0.000 2.131 540 L HA -0.183 4.162 4.340 0.009 0.000 0.206 540 L C 2.152 178.941 176.870 -0.136 0.000 1.087 540 L CA 0.723 55.470 54.840 -0.156 0.000 0.767 540 L CB -0.237 41.830 42.059 0.014 0.000 0.917 540 L HN 0.184 nan 8.230 nan 0.000 0.441 541 M N -0.624 118.884 119.600 -0.154 0.000 2.267 541 M HA -0.221 4.264 4.480 0.009 0.000 0.263 541 M C 1.582 177.855 176.300 -0.045 0.000 1.063 541 M CA 1.451 56.653 55.300 -0.163 0.000 1.090 541 M CB -1.017 31.536 32.600 -0.077 0.000 1.392 541 M HN 0.284 nan 8.290 nan 0.000 0.422 542 D N -0.336 120.047 120.400 -0.029 0.000 2.162 542 D HA -0.041 4.605 4.640 0.009 0.000 0.203 542 D C 2.194 178.351 176.300 -0.238 0.000 0.967 542 D CA 0.897 54.839 54.000 -0.097 0.000 0.840 542 D CB 0.034 40.796 40.800 -0.065 0.000 0.972 542 D HN 0.189 nan 8.370 nan 0.000 0.482 543 V N 1.249 120.987 119.914 -0.293 0.000 2.343 543 V HA -0.188 3.938 4.120 0.009 0.000 0.247 543 V C 2.654 178.668 176.094 -0.134 0.000 1.051 543 V CA 1.125 63.270 62.300 -0.258 0.000 1.036 543 V CB -0.447 31.200 31.823 -0.294 0.000 0.654 543 V HN 0.041 nan 8.190 nan 0.000 0.451 544 V N -0.467 119.390 119.914 -0.095 0.000 2.407 544 V HA 0.380 4.505 4.120 0.009 0.000 0.245 544 V C 1.092 177.172 176.094 -0.023 0.000 1.041 544 V CA 1.136 63.417 62.300 -0.031 0.000 1.040 544 V CB -0.868 30.947 31.823 -0.013 0.000 0.671 544 V HN 0.794 nan 8.190 nan 0.000 0.455 545 G N -0.361 108.413 108.800 -0.043 0.000 3.233 545 G HA2 -0.080 3.885 3.960 0.009 0.000 0.686 545 G HA3 -0.080 3.885 3.960 0.009 0.000 0.686 545 G C -0.211 174.702 174.900 0.023 0.000 1.153 545 G CA -0.355 44.739 45.100 -0.010 0.000 0.853 545 G HN 0.018 nan 8.290 nan 0.000 0.582 546 I N 1.652 122.252 120.570 0.050 0.000 2.208 546 I HA -0.091 4.085 4.170 0.009 0.000 0.245 546 I C 2.569 178.773 176.117 0.144 0.000 1.097 546 I CA 2.428 63.782 61.300 0.091 0.000 1.363 546 I CB -0.354 37.709 38.000 0.105 0.000 1.051 546 I HN 0.813 nan 8.210 nan 0.000 0.413 547 D N -1.087 119.420 120.400 0.178 0.000 2.263 547 D HA -0.164 4.481 4.640 0.009 0.000 0.208 547 D C 1.789 178.163 176.300 0.124 0.000 0.971 547 D CA 1.643 55.773 54.000 0.217 0.000 0.867 547 D CB -0.663 40.275 40.800 0.229 0.000 0.929 547 D HN 0.265 nan 8.370 nan 0.000 0.492 548 T N -0.811 113.814 114.554 0.118 0.000 2.939 548 T HA 0.103 4.458 4.350 0.009 0.000 0.254 548 T C 2.055 176.870 174.700 0.191 0.000 1.041 548 T CA 0.898 63.085 62.100 0.145 0.000 1.142 548 T CB -0.521 68.416 68.868 0.115 0.000 0.874 548 T HN 0.390 nan 8.240 nan 0.000 0.452 549 G N 0.682 109.558 108.800 0.127 0.000 2.559 549 G HA2 -0.224 3.742 3.960 0.009 0.000 0.216 549 G HA3 -0.224 3.742 3.960 0.009 0.000 0.216 549 G C 1.346 176.375 174.900 0.215 0.000 1.126 549 G CA 0.467 45.653 45.100 0.142 0.000 0.778 549 G HN 0.475 nan 8.290 nan 0.000 0.543 550 H N -0.030 119.047 119.070 0.011 0.000 2.329 550 H HA -0.056 4.506 4.556 0.009 0.000 0.306 550 H C 2.261 177.538 175.328 -0.086 0.000 1.062 550 H CA 1.570 57.546 56.048 -0.120 0.000 1.364 550 H CB -0.230 29.251 29.762 -0.468 0.000 1.409 550 H HN 0.433 nan 8.280 nan 0.000 0.519 551 H N 0.157 119.282 119.070 0.092 0.000 2.353 551 H HA -0.048 4.513 4.556 0.009 0.000 0.300 551 H C 2.283 177.572 175.328 -0.066 0.000 1.090 551 H CA 2.025 58.092 56.048 0.031 0.000 1.327 551 H CB -0.670 29.099 29.762 0.012 0.000 1.383 551 H HN 0.471 nan 8.280 nan 0.000 0.508 552 G N 0.199 108.918 108.800 -0.134 0.000 2.432 552 G HA2 -0.304 3.661 3.960 0.009 0.000 0.219 552 G HA3 -0.304 3.661 3.960 0.009 0.000 0.219 552 G C 1.872 176.255 174.900 -0.862 0.000 1.135 552 G CA 0.640 45.455 45.100 -0.475 0.000 0.767 552 G HN 0.427 nan 8.290 nan 0.000 0.550 553 R N 0.362 120.584 120.500 -0.463 0.000 2.066 553 R HA -0.075 4.271 4.340 0.009 0.000 0.232 553 R C 2.083 178.199 176.300 -0.306 0.000 1.131 553 R CA 1.771 57.663 56.100 -0.346 0.000 0.955 553 R CB -0.304 29.917 30.300 -0.132 0.000 0.851 553 R HN 0.254 nan 8.270 nan 0.000 0.432 554 D N -0.283 119.952 120.400 -0.275 0.000 2.178 554 D HA -0.136 4.509 4.640 0.009 0.000 0.201 554 D C 1.821 177.987 176.300 -0.224 0.000 0.980 554 D CA 1.158 55.041 54.000 -0.194 0.000 0.842 554 D CB 0.102 40.839 40.800 -0.106 0.000 0.948 554 D HN 0.073 nan 8.370 nan 0.000 0.472 555 V N 0.486 120.184 119.914 -0.359 0.000 2.358 555 V HA -0.191 3.934 4.120 0.009 0.000 0.246 555 V C 2.104 178.067 176.094 -0.219 0.000 1.047 555 V CA 1.122 63.230 62.300 -0.320 0.000 1.035 555 V CB -0.295 31.266 31.823 -0.436 0.000 0.658 555 V HN 0.263 nan 8.190 nan 0.000 0.452 556 M N -0.210 119.229 119.600 -0.269 0.000 2.476 556 M HA 0.066 4.552 4.480 0.009 0.000 0.262 556 M C 2.202 178.505 176.300 0.005 0.000 1.079 556 M CA 1.450 56.682 55.300 -0.114 0.000 1.104 556 M CB -1.397 31.069 32.600 -0.222 0.000 1.409 556 M HN 0.408 nan 8.290 nan 0.000 0.467 557 A N 1.291 124.077 122.820 -0.058 0.000 1.855 557 A HA -0.145 4.181 4.320 0.009 0.000 0.213 557 A C 1.955 179.536 177.584 -0.004 0.000 1.195 557 A CA 1.461 53.490 52.037 -0.013 0.000 0.610 557 A CB -0.673 18.302 19.000 -0.042 0.000 0.837 557 A HN 0.629 nan 8.150 nan 0.000 0.444 558 E N -0.349 119.827 120.200 -0.039 0.000 2.472 558 E HA 0.045 4.400 4.350 0.009 0.000 0.200 558 E C 1.516 178.076 176.600 -0.068 0.000 1.046 558 E CA 0.763 57.136 56.400 -0.046 0.000 0.871 558 E CB -0.297 29.371 29.700 -0.053 0.000 0.806 558 E HN 0.450 nan 8.360 nan 0.000 0.533 559 G N 0.766 109.539 108.800 -0.045 0.000 2.486 559 G HA2 0.011 3.977 3.960 0.009 0.000 0.210 559 G HA3 0.011 3.977 3.960 0.009 0.000 0.210 559 G C 0.229 174.926 174.900 -0.339 0.000 1.168 559 G CA -0.173 44.849 45.100 -0.129 0.000 0.820 559 G HN 0.194 nan 8.290 nan 0.000 0.544 560 F N 0.869 120.803 119.950 -0.026 0.000 2.531 560 F HA 0.402 4.935 4.527 0.009 0.000 0.333 560 F C -1.920 173.881 175.800 0.001 0.000 1.292 560 F CA -2.204 55.794 58.000 -0.003 0.000 1.184 560 F CB 2.237 41.242 39.000 0.009 0.000 1.426 560 F HN -0.024 nan 8.300 nan 0.000 0.559 561 P HA -0.184 nan 4.420 nan 0.000 0.216 561 P C 1.436 178.782 177.300 0.078 0.000 1.150 561 P CA 1.509 64.646 63.100 0.061 0.000 0.837 561 P CB 0.164 31.874 31.700 0.016 0.000 0.786 562 D N 0.159 120.612 120.400 0.089 0.000 2.265 562 D HA -0.198 4.448 4.640 0.009 0.000 0.208 562 D C 1.341 177.703 176.300 0.104 0.000 0.977 562 D CA 1.195 55.247 54.000 0.087 0.000 0.871 562 D CB -0.267 40.587 40.800 0.090 0.000 0.925 562 D HN 0.381 nan 8.370 nan 0.000 0.485 563 R N -1.778 118.801 120.500 0.132 0.000 2.495 563 R HA 0.288 4.633 4.340 0.009 0.000 0.299 563 R C 1.200 177.566 176.300 0.111 0.000 0.902 563 R CA -0.258 55.915 56.100 0.120 0.000 1.103 563 R CB -0.085 30.288 30.300 0.122 0.000 1.750 563 R HN 0.011 nan 8.270 nan 0.000 0.480 564 M N 0.914 120.587 119.600 0.122 0.000 2.596 564 M HA 0.355 4.841 4.480 0.009 0.000 0.364 564 M C -0.321 176.026 176.300 0.078 0.000 1.158 564 M CA -0.244 55.116 55.300 0.100 0.000 0.940 564 M CB 1.089 33.750 32.600 0.101 0.000 1.388 564 M HN -0.084 nan 8.290 nan 0.000 0.522 565 K N 1.714 122.156 120.400 0.071 0.000 2.110 565 K HA 0.331 4.656 4.320 0.009 0.000 0.263 565 K C -1.224 175.404 176.600 0.047 0.000 0.975 565 K CA 0.114 56.429 56.287 0.047 0.000 0.895 565 K CB 1.295 33.819 32.500 0.041 0.000 1.060 565 K HN 0.059 nan 8.250 nan 0.000 0.448 566 D N 1.619 122.040 120.400 0.034 0.000 2.964 566 D HA 0.087 4.733 4.640 0.009 0.000 0.234 566 D C -0.381 175.939 176.300 0.033 0.000 1.223 566 D CA -0.237 53.788 54.000 0.041 0.000 0.889 566 D CB 1.520 42.349 40.800 0.048 0.000 1.609 566 D HN 0.623 nan 8.370 nan 0.000 0.523 567 D N 2.295 122.718 120.400 0.039 0.000 2.417 567 D HA 0.057 4.702 4.640 0.009 0.000 0.207 567 D C 0.569 176.896 176.300 0.046 0.000 1.075 567 D CA -0.105 53.916 54.000 0.034 0.000 0.851 567 D CB 1.075 41.890 40.800 0.024 0.000 0.976 567 D HN 0.187 nan 8.370 nan 0.000 0.505 568 R N 0.476 121.016 120.500 0.067 0.000 2.517 568 R HA 0.522 4.867 4.340 0.009 0.000 0.250 568 R C 0.170 176.548 176.300 0.130 0.000 1.213 568 R CA -0.579 55.584 56.100 0.106 0.000 1.146 568 R CB 0.875 31.274 30.300 0.165 0.000 1.279 568 R HN -0.123 nan 8.270 nan 0.000 0.597 569 R N 0.679 121.301 120.500 0.203 0.000 2.246 569 R HA 0.199 4.545 4.340 0.009 0.000 0.332 569 R C -0.366 175.997 176.300 0.106 0.000 0.974 569 R CA -0.359 55.833 56.100 0.153 0.000 0.837 569 R CB 1.496 31.892 30.300 0.160 0.000 1.145 569 R HN 0.660 nan 8.270 nan 0.000 0.467 570 S N 1.276 117.003 115.700 0.046 0.000 2.693 570 S HA 0.395 4.871 4.470 0.009 0.000 0.276 570 S C 1.324 175.903 174.600 -0.035 0.000 1.192 570 S CA -0.434 57.757 58.200 -0.016 0.000 0.994 570 S CB 1.738 64.941 63.200 0.005 0.000 1.012 570 S HN 0.601 nan 8.310 nan 0.000 0.550 571 A N 0.603 123.379 122.820 -0.074 0.000 1.978 571 A HA -0.006 4.320 4.320 0.009 0.000 0.220 571 A C 1.919 179.482 177.584 -0.034 0.000 1.170 571 A CA 1.335 53.326 52.037 -0.076 0.000 0.636 571 A CB -1.181 17.776 19.000 -0.071 0.000 0.810 571 A HN 0.831 nan 8.150 nan 0.000 0.448 572 I N -0.124 120.467 120.570 0.035 0.000 2.361 572 I HA -0.239 3.937 4.170 0.009 0.000 0.251 572 I C 1.671 177.853 176.117 0.108 0.000 1.133 572 I CA 1.403 62.745 61.300 0.070 0.000 1.413 572 I CB -0.396 37.635 38.000 0.053 0.000 1.073 572 I HN 0.308 nan 8.210 nan 0.000 0.424 573 D N 1.175 121.632 120.400 0.095 0.000 2.137 573 D HA -0.045 4.600 4.640 0.009 0.000 0.202 573 D C 2.336 178.716 176.300 0.134 0.000 0.970 573 D CA 1.355 55.461 54.000 0.178 0.000 0.837 573 D CB -0.055 40.824 40.800 0.131 0.000 0.981 573 D HN 0.308 nan 8.370 nan 0.000 0.475 574 A N 1.105 123.950 122.820 0.041 0.000 2.024 574 A HA -0.143 4.182 4.320 0.009 0.000 0.220 574 A C 2.336 179.900 177.584 -0.034 0.000 1.164 574 A CA 1.035 53.067 52.037 -0.007 0.000 0.643 574 A CB -0.633 18.333 19.000 -0.056 0.000 0.806 574 A HN 0.187 nan 8.150 nan 0.000 0.451 575 L N -3.048 118.147 121.223 -0.046 0.000 2.127 575 L HA -0.044 4.302 4.340 0.009 0.000 0.203 575 L C 2.502 179.384 176.870 0.019 0.000 1.080 575 L CA 1.109 55.903 54.840 -0.078 0.000 0.768 575 L CB -0.655 41.297 42.059 -0.177 0.000 0.924 575 L HN 0.466 nan 8.230 nan 0.000 0.444 576 Y N 1.564 121.849 120.300 -0.025 0.000 2.333 576 Y HA -0.185 4.371 4.550 0.009 0.000 0.290 576 Y C 1.855 177.726 175.900 -0.048 0.000 1.144 576 Y CA 1.343 59.426 58.100 -0.029 0.000 1.228 576 Y CB -0.036 38.430 38.460 0.011 0.000 0.985 576 Y HN 0.215 nan 8.280 nan 0.000 0.542 577 E N -0.952 119.245 120.200 -0.006 0.000 2.419 577 E HA 0.313 4.668 4.350 0.009 0.000 0.190 577 E C 0.604 177.157 176.600 -0.078 0.000 1.040 577 E CA 0.313 56.671 56.400 -0.071 0.000 0.900 577 E CB 0.299 30.010 29.700 0.019 0.000 1.054 577 E HN 0.375 nan 8.360 nan 0.000 0.462 578 A N 0.865 123.631 122.820 -0.090 0.000 2.605 578 A HA 0.233 4.559 4.320 0.009 0.000 0.292 578 A C 0.415 177.946 177.584 -0.087 0.000 1.055 578 A CA -0.422 51.569 52.037 -0.077 0.000 0.969 578 A CB 0.145 19.105 19.000 -0.067 0.000 1.236 578 A HN 0.126 nan 8.150 nan 0.000 0.534 579 K N -0.657 119.668 120.400 -0.126 0.000 3.426 579 K HA -0.204 4.122 4.320 0.009 0.000 0.315 579 K C 0.073 176.626 176.600 -0.079 0.000 1.293 579 K CA 1.480 57.695 56.287 -0.119 0.000 0.955 579 K CB -1.667 30.781 32.500 -0.087 0.000 1.238 579 K HN 0.693 nan 8.250 nan 0.000 0.441 580 R N 0.646 121.105 120.500 -0.069 0.000 2.248 580 R HA 0.250 4.595 4.340 0.009 0.000 0.328 580 R C 0.603 176.891 176.300 -0.021 0.000 1.067 580 R CA -0.012 56.062 56.100 -0.044 0.000 0.924 580 R CB 0.323 30.577 30.300 -0.077 0.000 1.013 580 R HN 0.138 nan 8.270 nan 0.000 0.454 581 L N 2.323 123.544 121.223 -0.003 0.000 3.069 581 L HA 0.325 4.670 4.340 0.009 0.000 0.271 581 L C 0.823 177.699 176.870 0.010 0.000 1.201 581 L CA -0.187 54.666 54.840 0.022 0.000 1.015 581 L CB 0.741 42.810 42.059 0.016 0.000 1.371 581 L HN 0.992 nan 8.230 nan 0.000 0.574 582 G N 0.469 109.266 108.800 -0.005 0.000 2.396 582 G HA2 -0.250 3.715 3.960 0.009 0.000 0.254 582 G HA3 -0.250 3.715 3.960 0.009 0.000 0.254 582 G C 0.017 174.808 174.900 -0.183 0.000 1.248 582 G CA 0.136 45.198 45.100 -0.063 0.000 1.033 582 G HN 0.070 nan 8.290 nan 0.000 0.502 583 Q N 0.262 119.840 119.800 -0.370 0.000 2.224 583 Q HA -0.084 4.262 4.340 0.009 0.000 0.203 583 Q C 2.553 178.431 176.000 -0.204 0.000 0.970 583 Q CA 2.118 57.592 55.803 -0.549 0.000 0.865 583 Q CB -0.251 28.142 28.738 -0.576 0.000 0.922 583 Q HN 0.652 nan 8.270 nan 0.000 0.445 584 K N -0.768 119.562 120.400 -0.118 0.000 2.155 584 K HA -0.117 4.208 4.320 0.009 0.000 0.203 584 K C 1.528 178.117 176.600 -0.018 0.000 1.052 584 K CA 1.599 57.858 56.287 -0.047 0.000 0.948 584 K CB -0.179 32.303 32.500 -0.029 0.000 0.728 584 K HN 0.039 nan 8.250 nan 0.000 0.448 585 N N 0.101 118.790 118.700 -0.018 0.000 2.422 585 N HA 0.008 4.753 4.740 0.009 0.000 0.181 585 N C 0.907 176.441 175.510 0.041 0.000 1.080 585 N CA 1.012 54.067 53.050 0.008 0.000 0.893 585 N CB 0.602 39.090 38.487 0.002 0.000 0.973 585 N HN 0.472 nan 8.380 nan 0.000 0.456 586 G N -0.043 108.792 108.800 0.059 0.000 2.179 586 G HA2 -0.273 3.692 3.960 0.009 0.000 0.260 586 G HA3 -0.273 3.692 3.960 0.009 0.000 0.260 586 G C -0.284 174.766 174.900 0.250 0.000 0.977 586 G CA 0.461 45.663 45.100 0.171 0.000 0.641 586 G HN 0.432 nan 8.290 nan 0.000 0.533 587 K N -0.272 120.229 120.400 0.168 0.000 2.541 587 K HA 0.619 4.945 4.320 0.009 0.000 0.250 587 K C 0.498 177.176 176.600 0.130 0.000 0.950 587 K CA -0.237 56.151 56.287 0.170 0.000 0.805 587 K CB 2.041 34.589 32.500 0.080 0.000 1.166 587 K HN 0.404 nan 8.250 nan 0.000 0.430 588 G N 1.029 109.953 108.800 0.207 0.000 3.400 588 G HA2 0.182 4.148 3.960 0.009 0.000 0.167 588 G HA3 0.182 4.148 3.960 0.009 0.000 0.167 588 G C -0.244 174.672 174.900 0.027 0.000 1.196 588 G CA -0.381 44.792 45.100 0.121 0.000 1.174 588 G HN 0.361 nan 8.290 nan 0.000 0.681 589 F N 0.114 120.143 119.950 0.132 0.000 2.416 589 F HA 0.382 4.915 4.527 0.009 0.000 0.296 589 F C 0.645 176.411 175.800 -0.056 0.000 1.099 589 F CA 0.429 58.327 58.000 -0.171 0.000 1.427 589 F CB 0.018 38.753 39.000 -0.442 0.000 1.079 589 F HN 0.054 nan 8.300 nan 0.000 0.536 590 Y N -1.155 119.399 120.300 0.424 0.000 2.650 590 Y HA 0.692 5.247 4.550 0.009 0.000 0.331 590 Y C 0.088 176.057 175.900 0.115 0.000 1.082 590 Y CA -2.395 55.832 58.100 0.212 0.000 1.171 590 Y CB 0.485 38.957 38.460 0.020 0.000 1.326 590 Y HN -0.271 nan 8.280 nan 0.000 0.513 591 A N 0.104 122.966 122.820 0.071 0.000 2.305 591 A HA 0.645 4.971 4.320 0.009 0.000 0.322 591 A C -1.776 175.700 177.584 -0.180 0.000 1.187 591 A CA -0.434 51.638 52.037 0.058 0.000 0.825 591 A CB -0.129 18.901 19.000 0.051 0.000 1.164 591 A HN 0.734 nan 8.150 nan 0.000 0.498 592 Y N 1.056 121.434 120.300 0.129 0.000 2.578 592 Y HA 0.204 4.760 4.550 0.009 0.000 0.317 592 Y C 1.163 177.108 175.900 0.075 0.000 0.940 592 Y CA -0.476 57.688 58.100 0.107 0.000 1.174 592 Y CB 0.149 38.676 38.460 0.112 0.000 1.198 592 Y HN 0.868 nan 8.280 nan 0.000 0.597 593 E N 1.047 121.333 120.200 0.143 0.000 2.160 593 E HA -0.061 4.295 4.350 0.009 0.000 0.195 593 E C 0.913 177.566 176.600 0.089 0.000 0.991 593 E CA 1.132 57.593 56.400 0.102 0.000 0.810 593 E CB 0.228 29.967 29.700 0.065 0.000 0.742 593 E HN 0.460 nan 8.360 nan 0.000 0.466 594 A N 0.857 123.729 122.820 0.088 0.000 2.552 594 A HA 0.538 4.863 4.320 0.009 0.000 0.288 594 A C -1.525 176.109 177.584 0.084 0.000 1.193 594 A CA -0.588 51.492 52.037 0.073 0.000 0.713 594 A CB 1.567 20.596 19.000 0.048 0.000 1.305 594 A HN 0.107 nan 8.150 nan 0.000 0.424 601 K N 3.166 123.587 120.400 0.035 0.000 2.262 601 K HA 0.204 4.529 4.320 0.009 0.000 0.288 601 K C -0.550 175.998 176.600 -0.087 0.000 1.090 601 K CA 0.113 56.395 56.287 -0.008 0.000 0.918 601 K CB 0.339 32.848 32.500 0.016 0.000 1.139 601 K HN 0.374 nan 8.250 nan 0.000 0.462 602 K N 6.823 127.126 120.400 -0.161 0.000 2.575 602 K HA 0.254 4.579 4.320 0.009 0.000 0.236 602 K C -1.291 175.198 176.600 -0.184 0.000 0.976 602 K CA -0.511 55.575 56.287 -0.335 0.000 0.985 602 K CB 0.535 32.792 32.500 -0.405 0.000 1.198 602 K HN 0.537 nan 8.250 nan 0.000 0.464 603 L N 3.239 124.388 121.223 -0.124 0.000 2.334 603 L HA 0.489 4.834 4.340 0.009 0.000 0.273 603 L C -0.285 176.671 176.870 0.144 0.000 1.013 603 L CA -1.440 53.411 54.840 0.018 0.000 0.816 603 L CB 2.188 44.242 42.059 -0.008 0.000 1.278 603 L HN 0.205 nan 8.230 nan 0.000 0.431 604 V N 1.982 121.971 119.914 0.125 0.000 2.389 604 V HA 0.126 4.251 4.120 0.009 0.000 0.264 604 V C -0.374 175.742 176.094 0.037 0.000 1.049 604 V CA -0.602 61.742 62.300 0.073 0.000 0.932 604 V CB 0.775 32.608 31.823 0.016 0.000 1.011 604 V HN 0.698 nan 8.190 nan 0.000 0.475 605 D N 3.623 124.052 120.400 0.048 0.000 2.217 605 D HA 0.149 4.794 4.640 0.009 0.000 0.243 605 D C 0.954 177.279 176.300 0.042 0.000 1.054 605 D CA -0.437 53.589 54.000 0.042 0.000 0.838 605 D CB 2.033 42.864 40.800 0.052 0.000 1.162 605 D HN 0.445 nan 8.370 nan 0.000 0.472 606 S N 1.019 116.734 115.700 0.025 0.000 2.607 606 S HA -0.137 4.339 4.470 0.009 0.000 0.224 606 S C 1.450 176.065 174.600 0.024 0.000 0.969 606 S CA 0.330 58.543 58.200 0.022 0.000 0.927 606 S CB -0.523 62.680 63.200 0.006 0.000 0.772 606 S HN 0.497 nan 8.310 nan 0.000 0.533 607 S N 0.656 116.370 115.700 0.024 0.000 2.603 607 S HA 0.110 4.585 4.470 0.009 0.000 0.229 607 S C 1.282 175.888 174.600 0.009 0.000 0.972 607 S CA 0.297 58.506 58.200 0.015 0.000 0.935 607 S CB -0.439 62.770 63.200 0.014 0.000 0.769 607 S HN 0.413 nan 8.310 nan 0.000 0.536 608 V N 0.990 120.917 119.914 0.023 0.000 3.125 608 V HA 0.154 4.280 4.120 0.009 0.000 0.249 608 V C 2.182 178.287 176.094 0.019 0.000 1.113 608 V CA 0.473 62.774 62.300 0.002 0.000 1.106 608 V CB -0.642 31.189 31.823 0.013 0.000 0.768 608 V HN 0.441 nan 8.190 nan 0.000 0.468 609 L N 0.196 121.448 121.223 0.047 0.000 2.079 609 L HA -0.201 4.144 4.340 0.009 0.000 0.210 609 L C 2.415 179.293 176.870 0.015 0.000 1.081 609 L CA 1.776 56.642 54.840 0.043 0.000 0.752 609 L CB -0.629 41.449 42.059 0.031 0.000 0.896 609 L HN 0.399 nan 8.230 nan 0.000 0.433 610 E N -0.534 119.669 120.200 0.005 0.000 2.418 610 E HA -0.106 4.250 4.350 0.009 0.000 0.197 610 E C 2.029 178.623 176.600 -0.011 0.000 1.026 610 E CA 0.634 57.033 56.400 -0.002 0.000 0.862 610 E CB 0.213 29.912 29.700 -0.003 0.000 0.799 610 E HN 0.374 nan 8.360 nan 0.000 0.518 611 V N 0.420 120.321 119.914 -0.023 0.000 2.949 611 V HA -0.053 4.073 4.120 0.009 0.000 0.245 611 V C 1.822 177.886 176.094 -0.051 0.000 1.086 611 V CA 0.660 62.935 62.300 -0.043 0.000 1.097 611 V CB 0.011 31.791 31.823 -0.071 0.000 0.762 611 V HN 0.228 nan 8.190 nan 0.000 0.470 612 L N 0.279 121.474 121.223 -0.048 0.000 2.599 612 L HA 0.054 4.400 4.340 0.009 0.000 0.230 612 L C 2.288 179.133 176.870 -0.040 0.000 1.141 612 L CA 0.399 55.206 54.840 -0.054 0.000 0.877 612 L CB -0.374 41.672 42.059 -0.023 0.000 1.009 612 L HN 0.252 nan 8.230 nan 0.000 0.447 613 K N 1.796 122.184 120.400 -0.019 0.000 2.026 613 K HA -0.116 4.210 4.320 0.009 0.000 0.208 613 K C -0.668 175.932 176.600 -0.001 0.000 1.048 613 K CA 1.523 57.805 56.287 -0.008 0.000 0.929 613 K CB -1.133 31.370 32.500 0.005 0.000 0.713 613 K HN 0.056 nan 8.250 nan 0.000 0.439 614 P HA -0.107 nan 4.420 nan 0.000 0.229 614 P C 0.406 177.735 177.300 0.047 0.000 1.150 614 P CA 0.873 64.004 63.100 0.051 0.000 0.765 614 P CB 0.087 31.813 31.700 0.044 0.000 0.783 615 I N -2.750 117.760 120.570 -0.099 0.000 3.339 615 I HA 0.019 4.194 4.170 0.009 0.000 0.285 615 I C 0.666 176.379 176.117 -0.672 0.000 1.201 615 I CA 0.330 61.416 61.300 -0.357 0.000 1.434 615 I CB -0.864 36.982 38.000 -0.257 0.000 1.152 615 I HN -0.289 nan 8.210 nan 0.000 0.443 616 V N 2.686 122.424 119.914 -0.292 0.000 2.425 616 V HA -0.053 4.073 4.120 0.009 0.000 0.276 616 V C 0.958 177.028 176.094 -0.039 0.000 1.017 616 V CA 0.487 62.667 62.300 -0.200 0.000 1.062 616 V CB -1.047 30.738 31.823 -0.065 0.000 0.997 616 V HN 0.210 nan 8.190 nan 0.000 0.476 617 Y N 1.929 122.236 120.300 0.013 0.000 2.414 617 Y HA 0.196 4.751 4.550 0.009 0.000 0.248 617 Y C 1.433 177.342 175.900 0.015 0.000 1.054 617 Y CA -0.717 57.392 58.100 0.016 0.000 1.156 617 Y CB 0.101 38.575 38.460 0.023 0.000 1.051 617 Y HN 0.413 nan 8.280 nan 0.000 0.485 618 E N 0.545 120.876 120.200 0.217 0.000 2.620 618 E HA 0.050 4.406 4.350 0.009 0.000 0.255 618 E C -0.432 176.207 176.600 0.066 0.000 1.346 618 E CA -0.006 56.464 56.400 0.117 0.000 1.013 618 E CB 0.281 30.048 29.700 0.111 0.000 1.131 618 E HN 0.148 nan 8.360 nan 0.000 0.608 619 Q N 0.281 120.105 119.800 0.040 0.000 2.248 619 Q HA 0.163 4.508 4.340 0.009 0.000 0.324 619 Q C -1.161 174.840 176.000 0.001 0.000 0.867 619 Q CA -0.157 55.653 55.803 0.011 0.000 1.101 619 Q CB 0.323 29.067 28.738 0.010 0.000 1.328 619 Q HN 0.348 nan 8.270 nan 0.000 0.408 620 R N 0.732 121.236 120.500 0.008 0.000 2.623 620 R HA 0.076 4.421 4.340 0.009 0.000 0.271 620 R C -0.606 175.674 176.300 -0.034 0.000 1.043 620 R CA 0.109 56.212 56.100 0.005 0.000 1.083 620 R CB 0.545 30.870 30.300 0.042 0.000 0.974 620 R HN 0.265 nan 8.270 nan 0.000 0.436 621 D N 1.616 122.002 120.400 -0.023 0.000 2.358 621 D HA 0.283 4.928 4.640 0.009 0.000 0.244 621 D C -0.646 175.616 176.300 -0.062 0.000 1.163 621 D CA 0.028 54.004 54.000 -0.039 0.000 0.945 621 D CB 1.631 42.420 40.800 -0.018 0.000 1.152 621 D HN 0.238 nan 8.370 nan 0.000 0.451 622 V N 0.210 120.077 119.914 -0.078 0.000 2.966 622 V HA 0.267 4.392 4.120 0.009 0.000 0.288 622 V C -0.156 175.895 176.094 -0.072 0.000 1.380 622 V CA -0.393 61.846 62.300 -0.103 0.000 0.966 622 V CB 1.829 33.496 31.823 -0.260 0.000 1.115 622 V HN 0.852 nan 8.190 nan 0.000 0.436 623 T N 1.458 115.995 114.554 -0.028 0.000 2.924 623 T HA 0.436 4.791 4.350 0.009 0.000 0.301 623 T C 0.575 175.269 174.700 -0.010 0.000 1.120 623 T CA 0.404 62.502 62.100 -0.003 0.000 0.940 623 T CB 0.868 69.758 68.868 0.036 0.000 1.591 623 T HN 0.653 nan 8.240 nan 0.000 0.578 624 D N -0.342 120.070 120.400 0.020 0.000 2.201 624 D HA -0.019 4.626 4.640 0.009 0.000 0.209 624 D C 1.877 178.210 176.300 0.055 0.000 0.961 624 D CA 0.763 54.779 54.000 0.027 0.000 0.861 624 D CB -0.193 40.635 40.800 0.047 0.000 0.997 624 D HN 0.774 nan 8.370 nan 0.000 0.486 625 E N 0.846 121.102 120.200 0.092 0.000 2.209 625 E HA -0.177 4.178 4.350 0.009 0.000 0.196 625 E C 1.201 177.892 176.600 0.151 0.000 0.993 625 E CA 0.968 57.448 56.400 0.134 0.000 0.819 625 E CB 0.266 30.059 29.700 0.155 0.000 0.745 625 E HN 0.161 nan 8.360 nan 0.000 0.477 626 D N 0.193 120.686 120.400 0.155 0.000 2.103 626 D HA -0.115 4.531 4.640 0.009 0.000 0.199 626 D C 2.083 178.449 176.300 0.109 0.000 0.978 626 D CA 0.877 55.021 54.000 0.240 0.000 0.829 626 D CB -0.140 40.799 40.800 0.231 0.000 0.981 626 D HN 0.312 nan 8.370 nan 0.000 0.464 627 I N 1.328 121.876 120.570 -0.036 0.000 2.248 627 I HA -0.258 3.917 4.170 0.009 0.000 0.248 627 I C 2.452 178.561 176.117 -0.013 0.000 1.107 627 I CA 0.852 62.113 61.300 -0.066 0.000 1.373 627 I CB -0.275 37.675 38.000 -0.084 0.000 1.055 627 I HN -0.034 nan 8.210 nan 0.000 0.418 628 I N 0.830 121.376 120.570 -0.040 0.000 2.286 628 I HA -0.278 3.898 4.170 0.009 0.000 0.248 628 I C 2.093 178.155 176.117 -0.092 0.000 1.115 628 I CA 1.336 62.545 61.300 -0.151 0.000 1.392 628 I CB -0.501 37.439 38.000 -0.100 0.000 1.065 628 I HN 0.342 nan 8.210 nan 0.000 0.418 629 N N -0.345 118.331 118.700 -0.041 0.000 2.333 629 N HA -0.121 4.625 4.740 0.009 0.000 0.178 629 N C 1.478 176.940 175.510 -0.079 0.000 1.018 629 N CA 0.888 53.856 53.050 -0.136 0.000 0.882 629 N CB -0.231 37.952 38.487 -0.507 0.000 0.984 629 N HN 0.361 nan 8.380 nan 0.000 0.434 630 W N 1.009 122.185 121.300 -0.207 0.000 2.468 630 W HA 0.090 4.755 4.660 0.008 0.000 0.262 630 W C 1.904 178.425 176.519 0.003 0.000 1.241 630 W CA 0.663 58.014 57.345 0.011 0.000 1.232 630 W CB 0.058 29.523 29.460 0.009 0.000 1.124 630 W HN 0.046 nan 8.180 nan 0.000 0.597 631 M N -2.421 117.244 119.600 0.109 0.000 2.925 631 M HA 0.052 4.538 4.480 0.009 0.000 0.249 631 M C 1.820 178.186 176.300 0.110 0.000 1.439 631 M CA 0.839 56.148 55.300 0.014 0.000 1.217 631 M CB -1.213 31.329 32.600 -0.096 0.000 1.245 631 M HN -0.159 nan 8.290 nan 0.000 0.552 632 M N 0.596 120.219 119.600 0.039 0.000 2.175 632 M HA -0.015 4.470 4.480 0.009 0.000 0.264 632 M C 2.253 178.633 176.300 0.134 0.000 1.063 632 M CA 1.405 56.746 55.300 0.068 0.000 1.119 632 M CB -1.124 31.484 32.600 0.013 0.000 1.377 632 M HN 0.185 nan 8.290 nan 0.000 0.415 633 I N 0.244 120.858 120.570 0.073 0.000 2.118 633 I HA -0.274 3.901 4.170 0.009 0.000 0.241 633 I C -0.516 175.534 176.117 -0.112 0.000 1.070 633 I CA 1.781 63.101 61.300 0.034 0.000 1.327 633 I CB -2.013 35.832 38.000 -0.257 0.000 1.034 633 I HN 0.166 nan 8.210 nan 0.000 0.405 634 P HA -0.179 nan 4.420 nan 0.000 0.215 634 P C 2.020 179.283 177.300 -0.062 0.000 1.157 634 P CA 1.363 64.300 63.100 -0.272 0.000 0.863 634 P CB 0.031 31.557 31.700 -0.290 0.000 0.787 635 L N -0.969 120.262 121.223 0.012 0.000 2.012 635 L HA -0.234 4.112 4.340 0.009 0.000 0.210 635 L C 2.069 178.953 176.870 0.022 0.000 1.073 635 L CA 1.932 56.785 54.840 0.021 0.000 0.748 635 L CB -0.811 41.237 42.059 -0.019 0.000 0.891 635 L HN 0.047 nan 8.230 nan 0.000 0.431 636 C N -0.351 118.991 119.300 0.070 0.000 2.462 636 C HA -0.151 4.315 4.460 0.009 0.000 0.278 636 C C 2.644 177.666 174.990 0.052 0.000 1.253 636 C CA 0.609 59.650 59.018 0.038 0.000 1.713 636 C CB -0.990 26.793 27.740 0.071 0.000 2.049 636 C HN 0.531 nan 8.230 nan 0.000 0.477 637 L N 0.782 122.091 121.223 0.143 0.000 2.043 637 L HA -0.210 4.135 4.340 0.009 0.000 0.212 637 L C 2.708 179.608 176.870 0.051 0.000 1.075 637 L CA 1.837 56.754 54.840 0.128 0.000 0.752 637 L CB -0.734 41.373 42.059 0.080 0.000 0.891 637 L HN 0.342 nan 8.230 nan 0.000 0.432 638 E N -0.090 120.113 120.200 0.005 0.000 2.106 638 E HA -0.161 4.194 4.350 0.009 0.000 0.192 638 E C 2.017 178.600 176.600 -0.028 0.000 0.984 638 E CA 1.699 58.082 56.400 -0.028 0.000 0.806 638 E CB -0.156 29.514 29.700 -0.050 0.000 0.750 638 E HN 0.300 nan 8.360 nan 0.000 0.458 639 T N -0.207 114.326 114.554 -0.035 0.000 2.788 639 T HA -0.102 4.253 4.350 0.009 0.000 0.268 639 T C 1.831 176.500 174.700 -0.051 0.000 1.044 639 T CA 1.278 63.339 62.100 -0.064 0.000 1.139 639 T CB -0.219 68.572 68.868 -0.129 0.000 0.867 639 T HN 0.024 nan 8.240 nan 0.000 0.454 640 V N 1.589 121.491 119.914 -0.020 0.000 2.427 640 V HA -0.152 3.974 4.120 0.009 0.000 0.248 640 V C 2.532 178.681 176.094 0.092 0.000 1.051 640 V CA 1.504 63.844 62.300 0.068 0.000 1.048 640 V CB -0.584 31.341 31.823 0.169 0.000 0.666 640 V HN 0.423 nan 8.190 nan 0.000 0.456 641 R N -0.597 119.940 120.500 0.061 0.000 2.115 641 R HA -0.091 4.255 4.340 0.009 0.000 0.226 641 R C 2.161 178.495 176.300 0.057 0.000 1.100 641 R CA 1.571 57.708 56.100 0.062 0.000 0.980 641 R CB -0.694 29.628 30.300 0.037 0.000 0.875 641 R HN 0.449 nan 8.270 nan 0.000 0.445 642 C N 0.768 120.086 119.300 0.031 0.000 2.485 642 C HA 0.049 4.514 4.460 0.009 0.000 0.283 642 C C 2.262 177.280 174.990 0.047 0.000 1.478 642 C CA 0.347 59.389 59.018 0.039 0.000 1.741 642 C CB -1.123 26.629 27.740 0.020 0.000 1.675 642 C HN 0.457 nan 8.230 nan 0.000 0.573 643 L N -0.301 120.954 121.223 0.053 0.000 2.445 643 L HA 0.110 4.455 4.340 0.009 0.000 0.207 643 L C 2.470 179.380 176.870 0.067 0.000 1.053 643 L CA 0.708 55.584 54.840 0.059 0.000 0.841 643 L CB -0.192 41.916 42.059 0.082 0.000 1.074 643 L HN 0.202 nan 8.230 nan 0.000 0.479 644 E N 0.168 120.416 120.200 0.080 0.000 2.047 644 E HA -0.213 4.142 4.350 0.009 0.000 0.191 644 E C 1.371 178.010 176.600 0.065 0.000 0.987 644 E CA 1.386 57.828 56.400 0.070 0.000 0.799 644 E CB 0.032 29.779 29.700 0.079 0.000 0.752 644 E HN 0.461 nan 8.360 nan 0.000 0.449 645 D N -0.259 120.189 120.400 0.080 0.000 2.265 645 D HA -0.080 4.566 4.640 0.009 0.000 0.208 645 D C 0.793 177.138 176.300 0.075 0.000 0.977 645 D CA 1.304 55.358 54.000 0.089 0.000 0.871 645 D CB 0.095 40.972 40.800 0.127 0.000 0.925 645 D HN 0.335 nan 8.370 nan 0.000 0.485 646 G N 0.368 109.207 108.800 0.066 0.000 2.742 646 G HA2 -0.192 3.773 3.960 0.009 0.000 0.257 646 G HA3 -0.192 3.773 3.960 0.009 0.000 0.257 646 G C 0.391 175.328 174.900 0.061 0.000 1.143 646 G CA -0.190 44.942 45.100 0.054 0.000 1.064 646 G HN 0.187 nan 8.290 nan 0.000 0.529 647 I N -0.582 120.026 120.570 0.063 0.000 3.393 647 I HA 0.244 4.420 4.170 0.009 0.000 0.250 647 I C 1.308 177.453 176.117 0.047 0.000 1.122 647 I CA 0.502 61.842 61.300 0.067 0.000 1.484 647 I CB 0.160 38.215 38.000 0.090 0.000 1.468 647 I HN 0.174 nan 8.210 nan 0.000 0.461 648 V N 1.914 121.852 119.914 0.040 0.000 2.406 648 V HA 0.139 4.264 4.120 0.009 0.000 0.272 648 V C 1.382 177.489 176.094 0.023 0.000 1.043 648 V CA -0.302 62.014 62.300 0.027 0.000 0.915 648 V CB 1.089 32.922 31.823 0.015 0.000 0.988 648 V HN 0.321 nan 8.190 nan 0.000 0.466 649 E N 2.540 122.755 120.200 0.025 0.000 2.114 649 E HA -0.181 4.175 4.350 0.009 0.000 0.199 649 E C 1.012 177.615 176.600 0.005 0.000 1.008 649 E CA 1.840 58.252 56.400 0.020 0.000 0.810 649 E CB 0.257 29.976 29.700 0.030 0.000 0.739 649 E HN 0.950 nan 8.360 nan 0.000 0.456 650 T N -5.370 109.183 114.554 -0.001 0.000 2.831 650 T HA 0.640 4.996 4.350 0.009 0.000 0.287 650 T C 0.692 175.365 174.700 -0.045 0.000 1.070 650 T CA -0.377 61.708 62.100 -0.026 0.000 1.010 650 T CB 1.441 70.293 68.868 -0.026 0.000 1.264 650 T HN -0.070 nan 8.240 nan 0.000 0.532 651 A N 0.099 122.854 122.820 -0.108 0.000 1.935 651 A HA 0.484 4.810 4.320 0.009 0.000 0.214 651 A C 2.497 180.026 177.584 -0.092 0.000 1.178 651 A CA 1.339 53.271 52.037 -0.175 0.000 0.640 651 A CB -1.391 17.360 19.000 -0.415 0.000 0.825 651 A HN 1.245 nan 8.150 nan 0.000 0.447 652 A N 0.292 123.091 122.820 -0.034 0.000 1.898 652 A HA -0.158 4.167 4.320 0.009 0.000 0.216 652 A C 1.869 179.479 177.584 0.044 0.000 1.181 652 A CA 1.602 53.727 52.037 0.146 0.000 0.620 652 A CB -0.494 18.587 19.000 0.135 0.000 0.819 652 A HN 0.611 nan 8.150 nan 0.000 0.442 653 E N -0.216 119.990 120.200 0.009 0.000 2.150 653 E HA -0.037 4.319 4.350 0.009 0.000 0.193 653 E C 2.223 178.806 176.600 -0.029 0.000 0.985 653 E CA 0.721 57.119 56.400 -0.004 0.000 0.814 653 E CB -0.244 29.465 29.700 0.014 0.000 0.752 653 E HN 0.627 nan 8.360 nan 0.000 0.466 654 A N 1.542 124.340 122.820 -0.036 0.000 1.898 654 A HA -0.209 4.117 4.320 0.009 0.000 0.216 654 A C 1.566 179.080 177.584 -0.117 0.000 1.181 654 A CA 1.780 53.779 52.037 -0.063 0.000 0.620 654 A CB -0.265 18.692 19.000 -0.072 0.000 0.819 654 A HN 0.064 nan 8.150 nan 0.000 0.442 655 D N -0.806 119.519 120.400 -0.125 0.000 2.103 655 D HA -0.070 4.576 4.640 0.009 0.000 0.199 655 D C 1.938 178.068 176.300 -0.283 0.000 0.978 655 D CA 0.993 54.847 54.000 -0.243 0.000 0.829 655 D CB -0.204 40.472 40.800 -0.206 0.000 0.981 655 D HN 0.182 nan 8.370 nan 0.000 0.464 656 M N 0.283 119.741 119.600 -0.235 0.000 2.446 656 M HA 0.021 4.506 4.480 0.009 0.000 0.263 656 M C 2.146 178.288 176.300 -0.264 0.000 1.066 656 M CA 0.854 55.950 55.300 -0.340 0.000 1.087 656 M CB -1.197 31.245 32.600 -0.263 0.000 1.406 656 M HN 0.060 nan 8.290 nan 0.000 0.459 657 G N -0.086 108.629 108.800 -0.141 0.000 2.421 657 G HA2 -0.084 3.881 3.960 0.009 0.000 0.217 657 G HA3 -0.084 3.881 3.960 0.009 0.000 0.217 657 G C 1.659 176.510 174.900 -0.082 0.000 1.143 657 G CA 0.285 45.347 45.100 -0.063 0.000 0.784 657 G HN 0.435 nan 8.290 nan 0.000 0.541 658 L N 0.211 121.351 121.223 -0.139 0.000 2.202 658 L HA 0.053 4.398 4.340 0.009 0.000 0.205 658 L C 2.835 179.635 176.870 -0.117 0.000 1.083 658 L CA 0.053 54.831 54.840 -0.105 0.000 0.790 658 L CB -0.408 41.570 42.059 -0.135 0.000 0.942 658 L HN 0.011 nan 8.230 nan 0.000 0.452 659 V N -0.760 119.010 119.914 -0.241 0.000 2.568 659 V HA -0.326 3.800 4.120 0.009 0.000 0.253 659 V C 1.965 177.930 176.094 -0.214 0.000 1.072 659 V CA 1.998 64.125 62.300 -0.289 0.000 1.084 659 V CB -0.753 30.767 31.823 -0.505 0.000 0.676 659 V HN 0.421 nan 8.190 nan 0.000 0.469 660 Y N -0.363 119.841 120.300 -0.159 0.000 2.441 660 Y HA 0.197 4.753 4.550 0.010 0.000 0.288 660 Y C 2.489 178.241 175.900 -0.247 0.000 1.118 660 Y CA 0.339 58.327 58.100 -0.186 0.000 1.215 660 Y CB -0.035 38.311 38.460 -0.189 0.000 1.118 660 Y HN 0.289 nan 8.280 nan 0.000 0.547 661 G N 0.074 108.811 108.800 -0.106 0.000 2.439 661 G HA2 -0.162 3.803 3.960 0.009 0.000 0.212 661 G HA3 -0.162 3.803 3.960 0.009 0.000 0.212 661 G C 1.372 176.167 174.900 -0.175 0.000 1.199 661 G CA 0.455 45.371 45.100 -0.306 0.000 0.807 661 G HN 0.361 nan 8.290 nan 0.000 0.537 662 I N 0.305 120.845 120.570 -0.050 0.000 3.603 662 I HA 0.273 4.448 4.170 0.009 0.000 0.297 662 I C 1.427 177.585 176.117 0.067 0.000 1.269 662 I CA 0.900 62.224 61.300 0.039 0.000 1.361 662 I CB 0.152 38.214 38.000 0.104 0.000 1.063 662 I HN 0.323 nan 8.210 nan 0.000 0.448 663 G N 1.608 110.402 108.800 -0.009 0.000 2.291 663 G HA2 -0.320 3.646 3.960 0.009 0.000 0.271 663 G HA3 -0.320 3.646 3.960 0.009 0.000 0.271 663 G C 0.030 174.796 174.900 -0.222 0.000 1.099 663 G CA -0.167 44.900 45.100 -0.057 0.000 0.919 663 G HN 0.338 nan 8.290 nan 0.000 0.496 664 F N 0.981 120.670 119.950 -0.435 0.000 2.529 664 F HA 0.456 4.988 4.527 0.008 0.000 0.365 664 F C -1.193 174.184 175.800 -0.705 0.000 1.102 664 F CA -1.547 55.991 58.000 -0.770 0.000 1.271 664 F CB 0.745 39.404 39.000 -0.570 0.000 1.120 664 F HN 0.084 nan 8.300 nan 0.000 0.579 665 P HA -0.073 nan 4.420 nan 0.000 0.258 665 P C 0.601 177.617 177.300 -0.474 0.000 1.172 665 P CA 0.634 63.268 63.100 -0.778 0.000 0.762 665 P CB 0.372 31.292 31.700 -1.300 0.000 0.764 666 L N 3.599 124.709 121.223 -0.190 0.000 2.046 666 L HA -0.159 4.187 4.340 0.009 0.000 0.208 666 L C 2.006 178.801 176.870 -0.125 0.000 1.077 666 L CA 1.485 56.273 54.840 -0.086 0.000 0.747 666 L CB -0.875 41.239 42.059 0.091 0.000 0.896 666 L HN 0.429 nan 8.230 nan 0.000 0.432 667 F N -0.601 119.226 119.950 -0.205 0.000 2.773 667 F HA 0.024 4.556 4.527 0.008 0.000 0.299 667 F C 1.969 177.601 175.800 -0.280 0.000 1.204 667 F CA 0.338 58.123 58.000 -0.358 0.000 1.454 667 F CB -0.566 37.931 39.000 -0.840 0.000 1.117 667 F HN -0.120 nan 8.300 nan 0.000 0.590 668 R N 0.016 120.087 120.500 -0.715 0.000 2.373 668 R HA 0.327 4.673 4.340 0.009 0.000 0.221 668 R C 1.890 178.042 176.300 -0.248 0.000 0.893 668 R CA 0.435 56.244 56.100 -0.484 0.000 1.049 668 R CB 0.503 30.443 30.300 -0.601 0.000 1.119 668 R HN 0.496 nan 8.270 nan 0.000 0.535 669 G N 0.674 109.309 108.800 -0.276 0.000 2.550 669 G HA2 -0.289 3.677 3.960 0.009 0.000 0.233 669 G HA3 -0.289 3.677 3.960 0.009 0.000 0.233 669 G C 0.431 175.061 174.900 -0.451 0.000 1.170 669 G CA 0.073 44.975 45.100 -0.331 0.000 0.693 669 G HN 0.779 nan 8.290 nan 0.000 0.512 670 G N -2.233 106.214 108.800 -0.590 0.000 2.356 670 G HA2 0.577 4.542 3.960 0.009 0.000 0.288 670 G HA3 0.577 4.542 3.960 0.009 0.000 0.288 670 G C 0.590 174.637 174.900 -1.422 0.000 1.302 670 G CA 1.096 45.464 45.100 -1.220 0.000 0.887 670 G HN 1.662 nan 8.290 nan 0.000 0.521 671 A N -0.622 121.375 122.820 -1.372 0.000 1.841 671 A HA 0.240 4.565 4.320 0.009 0.000 0.214 671 A C 2.549 179.892 177.584 -0.402 0.000 1.195 671 A CA 2.093 53.718 52.037 -0.686 0.000 0.611 671 A CB -0.770 17.963 19.000 -0.445 0.000 0.835 671 A HN 0.855 nan 8.150 nan 0.000 0.443 672 L N -0.961 119.990 121.223 -0.454 0.000 2.017 672 L HA -0.177 4.169 4.340 0.009 0.000 0.208 672 L C 2.802 179.501 176.870 -0.286 0.000 1.073 672 L CA 1.860 56.351 54.840 -0.582 0.000 0.745 672 L CB -0.517 41.137 42.059 -0.675 0.000 0.894 672 L HN 0.479 nan 8.230 nan 0.000 0.432 673 R N -0.728 119.678 120.500 -0.156 0.000 2.152 673 R HA -0.247 4.098 4.340 0.009 0.000 0.232 673 R C 2.433 178.657 176.300 -0.126 0.000 1.117 673 R CA 1.414 57.407 56.100 -0.180 0.000 0.981 673 R CB -0.376 29.628 30.300 -0.495 0.000 0.870 673 R HN 0.288 nan 8.270 nan 0.000 0.451 674 Y N 1.124 121.265 120.300 -0.265 0.000 2.181 674 Y HA -0.158 4.399 4.550 0.012 0.000 0.288 674 Y C 1.772 177.544 175.900 -0.214 0.000 1.146 674 Y CA 1.641 59.635 58.100 -0.178 0.000 1.164 674 Y CB -0.172 38.240 38.460 -0.079 0.000 0.982 674 Y HN 0.021 nan 8.280 nan 0.000 0.515 675 I N 0.027 120.373 120.570 -0.374 0.000 2.286 675 I HA -0.297 3.879 4.170 0.009 0.000 0.248 675 I C 1.603 177.606 176.117 -0.190 0.000 1.115 675 I CA 1.742 62.724 61.300 -0.529 0.000 1.392 675 I CB -0.430 37.275 38.000 -0.492 0.000 1.065 675 I HN 0.165 nan 8.210 nan 0.000 0.418 676 D N 0.332 120.701 120.400 -0.053 0.000 2.183 676 D HA -0.112 4.533 4.640 0.009 0.000 0.203 676 D C 2.351 178.629 176.300 -0.036 0.000 0.969 676 D CA 0.985 55.012 54.000 0.044 0.000 0.842 676 D CB -0.038 40.846 40.800 0.140 0.000 0.957 676 D HN 0.125 nan 8.370 nan 0.000 0.484 677 S N -0.045 115.585 115.700 -0.117 0.000 2.368 677 S HA -0.062 4.414 4.470 0.009 0.000 0.225 677 S C 1.979 176.505 174.600 -0.124 0.000 1.030 677 S CA 0.678 58.806 58.200 -0.120 0.000 0.999 677 S CB -0.120 62.994 63.200 -0.144 0.000 0.844 677 S HN 0.294 nan 8.310 nan 0.000 0.459 678 I N 0.686 121.134 120.570 -0.204 0.000 3.030 678 I HA 0.192 4.368 4.170 0.009 0.000 0.270 678 I C 1.038 177.148 176.117 -0.012 0.000 1.211 678 I CA 0.305 61.536 61.300 -0.115 0.000 1.479 678 I CB -0.408 37.501 38.000 -0.151 0.000 1.105 678 I HN 0.384 nan 8.210 nan 0.000 0.447 679 G N 0.716 109.512 108.800 -0.007 0.000 3.225 679 G HA2 -0.125 3.840 3.960 0.009 0.000 0.686 679 G HA3 -0.125 3.840 3.960 0.009 0.000 0.686 679 G C 0.131 175.101 174.900 0.116 0.000 1.105 679 G CA -0.459 44.672 45.100 0.053 0.000 0.831 679 G HN -0.147 nan 8.290 nan 0.000 0.578 680 V N 1.893 121.884 119.914 0.128 0.000 2.380 680 V HA -0.170 3.956 4.120 0.009 0.000 0.251 680 V C 3.235 179.446 176.094 0.194 0.000 1.063 680 V CA 3.469 65.883 62.300 0.191 0.000 1.055 680 V CB -1.168 30.728 31.823 0.121 0.000 0.657 680 V HN 1.631 nan 8.190 nan 0.000 0.455 681 A N -0.073 122.821 122.820 0.124 0.000 1.872 681 A HA -0.179 4.146 4.320 0.009 0.000 0.214 681 A C 2.131 179.784 177.584 0.114 0.000 1.187 681 A CA 1.673 53.770 52.037 0.100 0.000 0.614 681 A CB -0.488 18.550 19.000 0.064 0.000 0.826 681 A HN 0.525 nan 8.150 nan 0.000 0.442 682 E N -0.998 119.273 120.200 0.120 0.000 2.153 682 E HA -0.120 4.236 4.350 0.009 0.000 0.194 682 E C 1.545 178.246 176.600 0.169 0.000 0.988 682 E CA 1.037 57.508 56.400 0.118 0.000 0.811 682 E CB -0.349 29.412 29.700 0.101 0.000 0.746 682 E HN 0.646 nan 8.360 nan 0.000 0.466 683 F N 0.284 120.261 119.950 0.046 0.000 2.186 683 F HA -0.151 4.380 4.527 0.007 0.000 0.299 683 F C 1.868 177.717 175.800 0.081 0.000 1.090 683 F CA 0.758 58.792 58.000 0.058 0.000 1.307 683 F CB -0.245 38.789 39.000 0.057 0.000 1.019 683 F HN -0.154 nan 8.300 nan 0.000 0.489 684 V N 0.508 120.456 119.914 0.057 0.000 2.332 684 V HA -0.324 3.802 4.120 0.009 0.000 0.248 684 V C 2.751 178.811 176.094 -0.057 0.000 1.055 684 V CA 1.862 64.144 62.300 -0.030 0.000 1.038 684 V CB -1.660 30.198 31.823 0.058 0.000 0.651 684 V HN 0.446 nan 8.190 nan 0.000 0.450 685 A N -0.839 121.979 122.820 -0.003 0.000 1.969 685 A HA -0.114 4.211 4.320 0.009 0.000 0.218 685 A C 2.223 179.807 177.584 0.001 0.000 1.169 685 A CA 1.511 53.552 52.037 0.007 0.000 0.635 685 A CB -0.476 18.544 19.000 0.032 0.000 0.810 685 A HN 0.498 nan 8.150 nan 0.000 0.445 686 L N -1.149 120.063 121.223 -0.018 0.000 2.376 686 L HA -0.074 4.272 4.340 0.009 0.000 0.219 686 L C 2.642 179.518 176.870 0.011 0.000 1.133 686 L CA 0.826 55.690 54.840 0.040 0.000 0.816 686 L CB -0.171 41.914 42.059 0.044 0.000 0.933 686 L HN 0.445 nan 8.230 nan 0.000 0.449 687 A N -1.214 121.501 122.820 -0.175 0.000 2.030 687 A HA -0.104 4.221 4.320 0.009 0.000 0.215 687 A C 1.781 179.343 177.584 -0.038 0.000 1.164 687 A CA 0.850 52.794 52.037 -0.156 0.000 0.697 687 A CB -0.133 18.689 19.000 -0.298 0.000 0.827 687 A HN 0.330 nan 8.150 nan 0.000 0.457 688 D N -0.152 120.232 120.400 -0.027 0.000 2.162 688 D HA -0.098 4.547 4.640 0.009 0.000 0.203 688 D C 1.958 178.227 176.300 -0.052 0.000 0.967 688 D CA 0.927 54.916 54.000 -0.019 0.000 0.840 688 D CB -0.232 40.570 40.800 0.003 0.000 0.972 688 D HN 0.556 nan 8.370 nan 0.000 0.482 689 Q N -0.421 119.341 119.800 -0.065 0.000 2.170 689 Q HA -0.154 4.191 4.340 0.009 0.000 0.203 689 Q C 0.779 176.542 176.000 -0.394 0.000 0.976 689 Q CA 1.098 56.763 55.803 -0.231 0.000 0.858 689 Q CB 0.013 28.568 28.738 -0.305 0.000 0.907 689 Q HN 0.460 nan 8.270 nan 0.000 0.433 690 Y N -1.801 118.429 120.300 -0.116 0.000 2.636 690 Y HA 0.379 4.934 4.550 0.008 0.000 0.260 690 Y C 1.472 177.117 175.900 -0.424 0.000 1.177 690 Y CA -0.095 57.845 58.100 -0.266 0.000 1.209 690 Y CB 0.210 38.529 38.460 -0.235 0.000 1.166 690 Y HN 0.029 nan 8.280 nan 0.000 0.531 691 A N 0.721 123.430 122.820 -0.185 0.000 2.178 691 A HA -0.197 4.129 4.320 0.009 0.000 0.218 691 A C 1.799 179.209 177.584 -0.289 0.000 1.157 691 A CA 1.405 53.229 52.037 -0.354 0.000 0.689 691 A CB -0.597 18.252 19.000 -0.251 0.000 0.787 691 A HN 0.656 nan 8.150 nan 0.000 0.465 692 E N -0.097 119.963 120.200 -0.234 0.000 2.438 692 E HA 0.096 4.451 4.350 0.009 0.000 0.192 692 E C 0.656 177.097 176.600 -0.266 0.000 1.110 692 E CA 0.151 56.450 56.400 -0.168 0.000 0.893 692 E CB -0.310 29.314 29.700 -0.128 0.000 0.990 692 E HN 0.623 nan 8.360 nan 0.000 0.490 693 L N 0.206 121.144 121.223 -0.476 0.000 2.808 693 L HA 0.419 4.765 4.340 0.009 0.000 0.246 693 L C 0.761 177.463 176.870 -0.280 0.000 1.153 693 L CA 0.039 54.529 54.840 -0.584 0.000 0.956 693 L CB 0.619 41.871 42.059 -1.345 0.000 1.270 693 L HN 0.368 nan 8.230 nan 0.000 0.528 694 G N -0.456 108.291 108.800 -0.087 0.000 2.371 694 G HA2 0.025 3.990 3.960 0.009 0.000 0.663 694 G HA3 0.025 3.990 3.960 0.009 0.000 0.663 694 G C 0.261 175.314 174.900 0.255 0.000 1.311 694 G CA -0.335 44.827 45.100 0.103 0.000 0.985 694 G HN -0.086 nan 8.290 nan 0.000 0.566 695 A N -0.674 122.312 122.820 0.277 0.000 2.121 695 A HA 0.278 4.604 4.320 0.009 0.000 0.218 695 A C 2.355 180.085 177.584 0.245 0.000 1.154 695 A CA 1.834 54.075 52.037 0.340 0.000 0.679 695 A CB -0.378 18.734 19.000 0.187 0.000 0.795 695 A HN 0.984 nan 8.150 nan 0.000 0.458 696 L N -2.074 119.270 121.223 0.203 0.000 2.551 696 L HA -0.061 4.284 4.340 0.009 0.000 0.228 696 L C 0.965 177.788 176.870 -0.078 0.000 1.153 696 L CA 0.636 55.523 54.840 0.078 0.000 0.851 696 L CB -0.234 41.866 42.059 0.069 0.000 0.959 696 L HN 0.489 nan 8.230 nan 0.000 0.451 697 Y N -2.680 117.539 120.300 -0.135 0.000 2.612 697 Y HA 0.217 4.772 4.550 0.008 0.000 0.250 697 Y C 0.083 175.770 175.900 -0.355 0.000 1.175 697 Y CA -0.824 57.123 58.100 -0.254 0.000 1.205 697 Y CB -0.013 38.245 38.460 -0.337 0.000 1.201 697 Y HN 0.090 nan 8.280 nan 0.000 0.532 698 H N 0.161 119.288 119.070 0.095 0.000 2.541 698 H HA 0.338 4.899 4.556 0.008 0.000 0.316 698 H C -2.179 173.176 175.328 0.044 0.000 1.043 698 H CA -2.033 54.050 56.048 0.058 0.000 1.232 698 H CB 1.020 30.815 29.762 0.055 0.000 1.406 698 H HN 0.017 nan 8.280 nan 0.000 0.469 699 P HA -0.043 nan 4.420 nan 0.000 0.271 699 P C 0.043 177.417 177.300 0.123 0.000 1.238 699 P CA -0.219 62.952 63.100 0.118 0.000 0.794 699 P CB 0.590 32.346 31.700 0.095 0.000 0.959 700 T N -3.376 111.247 114.554 0.115 0.000 2.912 700 T HA 0.539 4.894 4.350 0.009 0.000 0.280 700 T C 1.180 175.923 174.700 0.072 0.000 0.989 700 T CA -0.215 61.941 62.100 0.093 0.000 0.995 700 T CB 1.024 69.949 68.868 0.095 0.000 1.077 700 T HN 0.294 nan 8.240 nan 0.000 0.531 701 A N 0.372 123.225 122.820 0.055 0.000 2.019 701 A HA -0.021 4.304 4.320 0.009 0.000 0.219 701 A C 2.254 179.857 177.584 0.032 0.000 1.164 701 A CA 1.161 53.221 52.037 0.038 0.000 0.644 701 A CB -0.703 18.315 19.000 0.029 0.000 0.805 701 A HN 0.745 nan 8.150 nan 0.000 0.449 702 K N -0.399 120.022 120.400 0.035 0.000 2.186 702 K HA 0.131 4.456 4.320 0.009 0.000 0.202 702 K C 1.801 178.408 176.600 0.011 0.000 1.052 702 K CA 0.691 56.987 56.287 0.016 0.000 0.965 702 K CB -0.292 32.218 32.500 0.016 0.000 0.746 702 K HN 0.517 nan 8.250 nan 0.000 0.457 703 L N 0.732 121.987 121.223 0.054 0.000 2.156 703 L HA -0.086 4.259 4.340 0.009 0.000 0.208 703 L C 2.380 179.290 176.870 0.067 0.000 1.095 703 L CA 0.976 55.865 54.840 0.082 0.000 0.770 703 L CB -0.005 42.155 42.059 0.169 0.000 0.914 703 L HN 0.089 nan 8.230 nan 0.000 0.439 704 R N -0.739 119.796 120.500 0.058 0.000 2.093 704 R HA -0.133 4.212 4.340 0.009 0.000 0.224 704 R C 2.162 178.477 176.300 0.025 0.000 1.101 704 R CA 0.986 57.114 56.100 0.048 0.000 0.979 704 R CB -0.208 30.119 30.300 0.045 0.000 0.877 704 R HN 0.366 nan 8.270 nan 0.000 0.441 705 E N 1.758 121.965 120.200 0.011 0.000 2.031 705 E HA -0.209 4.146 4.350 0.009 0.000 0.193 705 E C 1.983 178.572 176.600 -0.019 0.000 0.994 705 E CA 1.589 57.986 56.400 -0.004 0.000 0.800 705 E CB -0.004 29.691 29.700 -0.009 0.000 0.752 705 E HN 0.328 nan 8.360 nan 0.000 0.447 706 M N -1.169 118.405 119.600 -0.042 0.000 2.549 706 M HA 0.096 4.582 4.480 0.009 0.000 0.260 706 M C 1.984 178.255 176.300 -0.048 0.000 1.076 706 M CA 1.559 56.813 55.300 -0.076 0.000 1.090 706 M CB -0.124 32.378 32.600 -0.163 0.000 1.418 706 M HN 0.011 nan 8.290 nan 0.000 0.486 707 A N 1.438 124.252 122.820 -0.010 0.000 2.067 707 A HA 0.010 4.335 4.320 0.009 0.000 0.217 707 A C 2.131 179.725 177.584 0.016 0.000 1.156 707 A CA 0.944 52.993 52.037 0.020 0.000 0.683 707 A CB -0.242 18.790 19.000 0.052 0.000 0.808 707 A HN 0.609 nan 8.150 nan 0.000 0.455 708 K N -0.072 120.332 120.400 0.006 0.000 2.098 708 K HA 0.016 4.341 4.320 0.009 0.000 0.203 708 K C 1.102 177.702 176.600 -0.001 0.000 1.051 708 K CA 0.970 57.260 56.287 0.006 0.000 0.957 708 K CB -0.144 32.359 32.500 0.005 0.000 0.738 708 K HN 0.318 nan 8.250 nan 0.000 0.447 709 N N 0.356 119.049 118.700 -0.011 0.000 2.520 709 N HA -0.069 4.676 4.740 0.009 0.000 0.185 709 N C 1.166 176.667 175.510 -0.014 0.000 1.068 709 N CA 1.273 54.314 53.050 -0.015 0.000 0.911 709 N CB 0.501 38.972 38.487 -0.026 0.000 0.961 709 N HN 0.464 nan 8.380 nan 0.000 0.446 710 G N 0.731 109.525 108.800 -0.011 0.000 2.179 710 G HA2 -0.304 3.662 3.960 0.009 0.000 0.260 710 G HA3 -0.304 3.662 3.960 0.009 0.000 0.260 710 G C 0.095 174.985 174.900 -0.017 0.000 0.977 710 G CA 0.046 45.144 45.100 -0.005 0.000 0.641 710 G HN 0.401 nan 8.290 nan 0.000 0.533 711 Q N 0.504 120.279 119.800 -0.042 0.000 2.540 711 Q HA 0.477 4.823 4.340 0.009 0.000 0.256 711 Q C 0.686 176.632 176.000 -0.090 0.000 1.084 711 Q CA 0.953 56.713 55.803 -0.070 0.000 0.956 711 Q CB 0.715 29.389 28.738 -0.107 0.000 1.303 711 Q HN 0.841 nan 8.270 nan 0.000 0.509 712 S N -0.958 114.682 115.700 -0.100 0.000 2.651 712 S HA 0.420 4.895 4.470 0.009 0.000 0.279 712 S C -0.073 174.444 174.600 -0.139 0.000 1.148 712 S CA -0.853 57.305 58.200 -0.071 0.000 0.837 712 S CB 0.384 63.625 63.200 0.068 0.000 1.138 712 S HN 0.518 nan 8.310 nan 0.000 0.478 713 F N -0.197 119.738 119.950 -0.025 0.000 2.234 713 F HA 0.236 4.768 4.527 0.009 0.000 0.299 713 F C 0.891 176.444 175.800 -0.412 0.000 1.087 713 F CA 1.007 58.885 58.000 -0.203 0.000 1.340 713 F CB -0.191 38.694 39.000 -0.191 0.000 1.031 713 F HN 0.498 nan 8.300 nan 0.000 0.500 714 F N -0.084 119.945 119.950 0.132 0.000 2.881 714 F HA 0.401 4.933 4.527 0.008 0.000 0.343 714 F C 1.161 176.980 175.800 0.032 0.000 1.233 714 F CA -0.950 57.086 58.000 0.061 0.000 1.262 714 F CB -0.615 38.408 39.000 0.038 0.000 0.980 714 F HN -0.173 nan 8.300 nan 0.000 0.506 715 G N 0.000 108.868 108.800 0.113 0.000 5.446 715 G HA2 0.000 3.965 3.960 0.009 0.000 0.244 715 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 715 G CA 0.000 45.143 45.100 0.072 0.000 0.502 715 G HN 0.000 nan 8.290 nan 0.000 0.925