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 3n25_1_E DATA FIRST_RESID 10 DATA SEQUENCE AFIQTQQLHA AMADTFLEHK CRLDIDSAPI TARNTGIICT IGPASRSVET DATA SEQUENCE LKEMIKSGMN VARMNFSHGT HEYHAETIKN VRTATESFAS DPILYRPVAV DATA SEQUENCE ALDTKGPEIR TGLIKGSGTA EVELKKGATL KITLDNAYME KCDENILWLD DATA SEQUENCE YKNICKVVDV GSKVYVDDGL ISLQVKQKGP DFLVTEVENG GFLGSKKGVN DATA SEQUENCE LPGAAVDLPA VSEKDIQDLK FGVEQDVDMV FASFIRKAAD VHEVRKILGE DATA SEQUENCE KGKNIKIISK IENHEGVRRF DEILEASDGI MVARGDLGIE IPAEKVFLAQ DATA SEQUENCE KMIIGRCNRA GKPVICATQM LESMIKKPRP TRAEGSDVAN AVLDGADCIM DATA SEQUENCE LSGETAKGDY PLEAVRMQHL IAREAEAAMF HRKLFEELAR ASSQSTDLME DATA SEQUENCE AMAMGSVEAS YKCLAAALIV LTESGRSAHQ VARYRPRAPI IAVTRNHQTA DATA SEQUENCE RQAHLYRGIF PVVCKDPVQE AWAEDVDLRV NLAMNVGKAR GFFKKGDVVI DATA SEQUENCE VLTGWRPGSG FTNTMRVVPV P 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.672 177.584 0.147 0.000 1.274 10 A CA 0.000 52.069 52.037 0.053 0.000 0.836 10 A CB 0.000 19.030 19.000 0.050 0.000 0.831 11 F N 0.344 120.266 119.950 -0.046 0.000 2.622 11 F HA 0.660 5.187 4.527 -0.000 0.000 0.318 11 F C -1.810 173.957 175.800 -0.056 0.000 1.135 11 F CA -0.851 57.126 58.000 -0.039 0.000 1.015 11 F CB 1.186 40.172 39.000 -0.024 0.000 1.275 11 F HN 0.037 nan 8.300 nan 0.000 0.457 12 I N 5.860 125.954 120.570 -0.793 0.000 2.291 12 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 12 I C -0.615 175.037 176.117 -0.775 0.000 1.050 12 I CA -0.810 60.141 61.300 -0.583 0.000 1.245 12 I CB 1.140 38.905 38.000 -0.392 0.000 1.405 12 I HN 0.536 nan 8.210 nan 0.000 0.478 13 Q N 4.402 124.016 119.800 -0.311 0.000 2.300 13 Q HA 0.129 4.469 4.340 -0.000 0.000 0.280 13 Q C 0.678 176.639 176.000 -0.065 0.000 1.033 13 Q CA -0.081 55.705 55.803 -0.029 0.000 0.903 13 Q CB 0.099 28.920 28.738 0.138 0.000 1.195 13 Q HN 0.730 nan 8.270 nan 0.000 0.386 14 T N -0.521 114.037 114.554 0.006 0.000 2.748 14 T HA 0.026 4.376 4.350 -0.000 0.000 0.304 14 T C 0.507 175.225 174.700 0.029 0.000 1.041 14 T CA -0.392 61.712 62.100 0.006 0.000 1.033 14 T CB 0.483 69.383 68.868 0.054 0.000 0.995 14 T HN 0.774 nan 8.240 nan 0.000 0.536 15 Q N 0.159 119.971 119.800 0.020 0.000 2.481 15 Q HA -0.255 4.085 4.340 -0.000 0.000 0.272 15 Q C -0.174 175.855 176.000 0.049 0.000 1.157 15 Q CA 0.759 56.585 55.803 0.039 0.000 0.935 15 Q CB -1.239 27.530 28.738 0.052 0.000 1.338 15 Q HN 0.814 nan 8.270 nan 0.000 0.494 16 Q N -2.346 117.464 119.800 0.017 0.000 2.437 16 Q HA -0.253 4.087 4.340 -0.000 0.000 0.274 16 Q C 0.572 176.594 176.000 0.037 0.000 1.165 16 Q CA 1.557 57.360 55.803 0.001 0.000 0.925 16 Q CB -1.880 26.842 28.738 -0.028 0.000 1.327 16 Q HN 0.712 nan 8.270 nan 0.000 0.505 17 L N -1.031 120.232 121.223 0.066 0.000 2.275 17 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 17 L C 2.438 179.365 176.870 0.094 0.000 1.119 17 L CA 1.239 56.132 54.840 0.087 0.000 0.790 17 L CB -0.408 41.710 42.059 0.099 0.000 0.919 17 L HN 0.461 nan 8.230 nan 0.000 0.443 18 H N 0.194 119.260 119.070 -0.007 0.000 2.363 18 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 18 H C 2.120 177.416 175.328 -0.053 0.000 1.074 18 H CA 1.272 57.307 56.048 -0.021 0.000 1.354 18 H CB 0.475 30.214 29.762 -0.039 0.000 1.397 18 H HN 0.332 nan 8.280 nan 0.000 0.516 19 A N 0.978 123.729 122.820 -0.116 0.000 2.015 19 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 19 A C 2.558 180.069 177.584 -0.122 0.000 1.163 19 A CA 1.193 53.064 52.037 -0.276 0.000 0.646 19 A CB -0.741 17.980 19.000 -0.466 0.000 0.806 19 A HN 0.544 nan 8.150 nan 0.000 0.448 20 A N -1.235 121.593 122.820 0.014 0.000 2.067 20 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 20 A C 1.872 179.527 177.584 0.118 0.000 1.158 20 A CA 1.517 53.635 52.037 0.134 0.000 0.661 20 A CB -0.324 18.756 19.000 0.133 0.000 0.801 20 A HN 0.404 nan 8.150 nan 0.000 0.452 21 M N -0.404 119.194 119.600 -0.003 0.000 2.495 21 M HA 0.271 4.751 4.480 -0.000 0.000 0.237 21 M C 1.046 177.331 176.300 -0.024 0.000 1.131 21 M CA -0.161 55.131 55.300 -0.013 0.000 1.032 21 M CB -1.269 31.293 32.600 -0.063 0.000 1.513 21 M HN 0.375 nan 8.290 nan 0.000 0.488 22 A N 0.993 123.780 122.820 -0.056 0.000 2.466 22 A HA 0.071 4.391 4.320 -0.000 0.000 0.238 22 A C 0.808 178.492 177.584 0.168 0.000 1.074 22 A CA 0.211 52.225 52.037 -0.037 0.000 0.774 22 A CB 0.276 19.169 19.000 -0.178 0.000 1.015 22 A HN 0.320 nan 8.150 nan 0.000 0.498 23 D N -0.533 119.951 120.400 0.140 0.000 2.338 23 D HA 0.064 4.703 4.640 -0.000 0.000 0.208 23 D C 0.883 177.339 176.300 0.259 0.000 0.997 23 D CA 1.661 55.771 54.000 0.183 0.000 0.880 23 D CB 0.163 41.020 40.800 0.096 0.000 0.980 23 D HN 0.741 nan 8.370 nan 0.000 0.509 24 T N -3.242 111.455 114.554 0.239 0.000 2.932 24 T HA 0.329 4.679 4.350 -0.000 0.000 0.289 24 T C 0.786 175.695 174.700 0.349 0.000 1.039 24 T CA -0.811 61.459 62.100 0.283 0.000 1.024 24 T CB 1.534 70.503 68.868 0.168 0.000 1.090 24 T HN -0.188 nan 8.240 nan 0.000 0.496 25 F N 0.524 120.638 119.950 0.274 0.000 2.146 25 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 25 F C 2.080 177.930 175.800 0.085 0.000 1.096 25 F CA 1.038 59.176 58.000 0.230 0.000 1.275 25 F CB -0.175 38.949 39.000 0.208 0.000 1.008 25 F HN 0.549 nan 8.300 nan 0.000 0.480 26 L N 0.806 122.163 121.223 0.223 0.000 1.978 26 L HA -0.275 4.065 4.340 -0.000 0.000 0.218 26 L C 2.295 179.160 176.870 -0.008 0.000 1.075 26 L CA 2.366 57.262 54.840 0.093 0.000 0.767 26 L CB -1.107 41.005 42.059 0.088 0.000 0.890 26 L HN 0.179 nan 8.230 nan 0.000 0.434 27 E N -1.368 118.825 120.200 -0.012 0.000 2.077 27 E HA -0.292 4.058 4.350 -0.000 0.000 0.193 27 E C 2.228 178.720 176.600 -0.179 0.000 0.989 27 E CA 1.692 58.049 56.400 -0.071 0.000 0.800 27 E CB -0.345 29.329 29.700 -0.044 0.000 0.746 27 E HN 0.741 nan 8.360 nan 0.000 0.452 28 H N 0.228 119.058 119.070 -0.400 0.000 2.265 28 H HA -0.080 4.475 4.556 -0.000 0.000 0.295 28 H C 1.929 176.984 175.328 -0.455 0.000 1.084 28 H CA 2.523 58.180 56.048 -0.651 0.000 1.261 28 H CB 0.018 28.967 29.762 -1.356 0.000 1.360 28 H HN 0.042 nan 8.280 nan 0.000 0.487 29 K N -0.530 119.641 120.400 -0.382 0.000 2.020 29 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 29 K C 2.458 178.920 176.600 -0.231 0.000 1.050 29 K CA 1.724 57.839 56.287 -0.287 0.000 0.929 29 K CB -0.392 32.031 32.500 -0.129 0.000 0.714 29 K HN 0.376 nan 8.250 nan 0.000 0.443 30 C N 0.382 119.583 119.300 -0.165 0.000 2.409 30 C HA -0.054 4.406 4.460 -0.000 0.000 0.284 30 C C 2.126 177.043 174.990 -0.123 0.000 1.354 30 C CA 0.530 59.480 59.018 -0.113 0.000 1.787 30 C CB -0.937 26.760 27.740 -0.072 0.000 1.900 30 C HN 0.361 nan 8.230 nan 0.000 0.520 31 R N -0.089 120.299 120.500 -0.185 0.000 2.317 31 R HA 0.229 4.569 4.340 -0.000 0.000 0.208 31 R C 0.084 176.286 176.300 -0.163 0.000 0.914 31 R CA -0.105 55.913 56.100 -0.136 0.000 1.060 31 R CB -0.012 30.189 30.300 -0.165 0.000 1.015 31 R HN 0.501 nan 8.270 nan 0.000 0.498 32 L N 1.503 122.589 121.223 -0.228 0.000 2.455 32 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 32 L C 0.018 176.812 176.870 -0.126 0.000 1.174 32 L CA 0.342 55.058 54.840 -0.206 0.000 0.869 32 L CB 0.287 42.214 42.059 -0.220 0.000 1.130 32 L HN -0.095 nan 8.230 nan 0.000 0.474 33 D N 3.125 123.460 120.400 -0.108 0.000 2.505 33 D HA 0.209 4.849 4.640 -0.000 0.000 0.250 33 D C 0.829 177.081 176.300 -0.080 0.000 1.164 33 D CA -0.523 53.423 54.000 -0.089 0.000 0.870 33 D CB 1.488 42.234 40.800 -0.091 0.000 1.160 33 D HN 0.477 nan 8.370 nan 0.000 0.549 34 I N 0.027 120.554 120.570 -0.071 0.000 2.530 34 I HA -0.094 4.076 4.170 -0.000 0.000 0.257 34 I C 0.508 176.588 176.117 -0.062 0.000 1.179 34 I CA 1.038 62.301 61.300 -0.061 0.000 1.440 34 I CB 0.147 38.116 38.000 -0.052 0.000 1.087 34 I HN 0.029 nan 8.210 nan 0.000 0.440 35 D N 1.156 121.512 120.400 -0.074 0.000 2.328 35 D HA 0.057 4.697 4.640 -0.000 0.000 0.221 35 D C 0.694 176.932 176.300 -0.102 0.000 1.072 35 D CA 0.401 54.350 54.000 -0.084 0.000 0.850 35 D CB 0.345 41.090 40.800 -0.091 0.000 0.922 35 D HN 0.270 nan 8.370 nan 0.000 0.516 36 S N 0.820 116.464 115.700 -0.093 0.000 2.409 36 S HA 0.472 4.942 4.470 -0.000 0.000 0.308 36 S C 0.061 174.623 174.600 -0.064 0.000 1.080 36 S CA -0.723 57.421 58.200 -0.094 0.000 1.081 36 S CB 0.173 63.323 63.200 -0.083 0.000 1.009 36 S HN 0.174 nan 8.310 nan 0.000 0.502 37 A N 7.847 130.630 122.820 -0.062 0.000 2.492 37 A HA 0.454 4.774 4.320 -0.000 0.000 0.254 37 A C -1.860 175.714 177.584 -0.016 0.000 1.091 37 A CA -1.073 50.943 52.037 -0.035 0.000 0.768 37 A CB -0.209 18.775 19.000 -0.027 0.000 1.028 37 A HN 0.702 nan 8.150 nan 0.000 0.498 38 P HA 0.236 nan 4.420 nan 0.000 0.271 38 P C 0.149 177.451 177.300 0.004 0.000 1.244 38 P CA -0.165 62.931 63.100 -0.006 0.000 0.793 38 P CB 0.392 32.080 31.700 -0.020 0.000 0.984 39 I N -2.720 117.852 120.570 0.005 0.000 3.156 39 I HA 0.230 4.400 4.170 -0.000 0.000 0.306 39 I C 1.183 177.309 176.117 0.014 0.000 1.048 39 I CA -0.495 60.812 61.300 0.012 0.000 1.207 39 I CB -0.333 37.665 38.000 -0.004 0.000 1.456 39 I HN 0.150 nan 8.210 nan 0.000 0.616 40 T N 1.533 116.119 114.554 0.053 0.000 2.851 40 T HA 0.119 4.469 4.350 -0.000 0.000 0.262 40 T C 1.070 175.847 174.700 0.127 0.000 1.043 40 T CA 0.876 63.049 62.100 0.121 0.000 1.140 40 T CB -0.313 68.674 68.868 0.198 0.000 0.872 40 T HN 0.760 nan 8.240 nan 0.000 0.446 41 A N 2.239 125.020 122.820 -0.065 0.000 2.498 41 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 41 A C 0.598 178.107 177.584 -0.125 0.000 1.068 41 A CA -0.099 51.731 52.037 -0.345 0.000 0.766 41 A CB 0.112 18.589 19.000 -0.872 0.000 1.003 41 A HN 0.279 nan 8.150 nan 0.000 0.497 42 R N 2.346 122.832 120.500 -0.023 0.000 2.439 42 R HA 0.241 4.581 4.340 -0.000 0.000 0.310 42 R C -0.790 175.549 176.300 0.065 0.000 0.955 42 R CA -0.610 55.490 56.100 0.001 0.000 0.853 42 R CB 0.843 31.146 30.300 0.004 0.000 1.171 42 R HN 0.857 nan 8.270 nan 0.000 0.449 43 N N 1.222 119.949 118.700 0.045 0.000 2.405 43 N HA 0.008 4.748 4.740 -0.000 0.000 0.175 43 N C -0.383 175.194 175.510 0.111 0.000 1.051 43 N CA 0.610 53.710 53.050 0.084 0.000 0.899 43 N CB 0.506 39.037 38.487 0.074 0.000 1.000 43 N HN 0.467 nan 8.380 nan 0.000 0.451 44 T N 1.023 115.630 114.554 0.088 0.000 2.737 44 T HA 0.344 4.693 4.350 -0.000 0.000 0.296 44 T C 0.815 175.572 174.700 0.095 0.000 0.922 44 T CA -0.593 61.555 62.100 0.081 0.000 1.079 44 T CB 1.014 69.914 68.868 0.054 0.000 0.892 44 T HN 0.111 nan 8.240 nan 0.000 0.514 45 G N 2.985 111.845 108.800 0.100 0.000 2.321 45 G HA2 0.346 4.306 3.960 -0.000 0.000 0.237 45 G HA3 0.346 4.306 3.960 -0.000 0.000 0.237 45 G C -0.255 174.678 174.900 0.055 0.000 1.282 45 G CA -0.426 44.728 45.100 0.090 0.000 0.886 45 G HN 0.785 nan 8.290 nan 0.000 0.528 46 I N 2.360 122.950 120.570 0.034 0.000 2.355 46 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 46 I C -0.051 176.074 176.117 0.014 0.000 0.999 46 I CA -0.382 60.936 61.300 0.030 0.000 1.163 46 I CB 1.449 39.476 38.000 0.044 0.000 1.316 46 I HN 0.239 nan 8.210 nan 0.000 0.454 47 I N 5.839 126.432 120.570 0.039 0.000 2.336 47 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 47 I C -0.558 175.604 176.117 0.075 0.000 0.991 47 I CA -0.349 60.993 61.300 0.070 0.000 1.227 47 I CB 1.259 39.325 38.000 0.110 0.000 1.366 47 I HN 0.518 nan 8.210 nan 0.000 0.466 48 C N 4.059 123.404 119.300 0.075 0.000 2.345 48 C HA 0.389 4.849 4.460 -0.000 0.000 0.323 48 C C 0.611 175.661 174.990 0.099 0.000 1.276 48 C CA -0.582 58.481 59.018 0.075 0.000 1.543 48 C CB 1.087 28.858 27.740 0.053 0.000 2.211 48 C HN 0.674 nan 8.230 nan 0.000 0.493 49 T N 5.466 120.085 114.554 0.108 0.000 2.752 49 T HA 0.274 4.624 4.350 -0.000 0.000 0.295 49 T C 0.462 175.228 174.700 0.111 0.000 0.923 49 T CA -0.015 62.161 62.100 0.126 0.000 1.112 49 T CB -0.067 68.879 68.868 0.131 0.000 0.884 49 T HN 0.360 nan 8.240 nan 0.000 0.525 50 I N 2.620 123.261 120.570 0.118 0.000 2.612 50 I HA 0.672 4.841 4.170 -0.000 0.000 0.295 50 I C 1.059 177.255 176.117 0.132 0.000 1.011 50 I CA -0.115 61.247 61.300 0.103 0.000 1.326 50 I CB 0.931 38.982 38.000 0.085 0.000 1.427 50 I HN 0.805 nan 8.210 nan 0.000 0.537 51 G N 4.286 113.153 108.800 0.112 0.000 2.588 51 G HA2 0.370 4.330 3.960 -0.000 0.000 0.281 51 G HA3 0.370 4.330 3.960 -0.000 0.000 0.281 51 G C -2.660 172.312 174.900 0.119 0.000 1.223 51 G CA -0.192 44.995 45.100 0.145 0.000 0.871 51 G HN 0.263 nan 8.290 nan 0.000 0.492 52 P HA 0.024 nan 4.420 nan 0.000 0.216 52 P C 1.912 179.234 177.300 0.037 0.000 1.150 52 P CA 2.299 65.445 63.100 0.077 0.000 0.837 52 P CB 0.057 31.785 31.700 0.047 0.000 0.786 53 A N -0.543 122.294 122.820 0.028 0.000 2.168 53 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 53 A C 1.725 179.318 177.584 0.015 0.000 1.152 53 A CA 1.758 53.802 52.037 0.011 0.000 0.716 53 A CB -0.840 18.163 19.000 0.005 0.000 0.794 53 A HN 0.341 nan 8.150 nan 0.000 0.465 54 S N -2.862 112.854 115.700 0.027 0.000 2.911 54 S HA 0.245 4.715 4.470 -0.000 0.000 0.261 54 S C 1.073 175.685 174.600 0.020 0.000 1.021 54 S CA -0.043 58.174 58.200 0.027 0.000 1.222 54 S CB -0.239 62.984 63.200 0.038 0.000 1.171 54 S HN 0.449 nan 8.310 nan 0.000 0.669 55 R N 2.592 123.098 120.500 0.009 0.000 2.193 55 R HA 0.102 4.442 4.340 -0.000 0.000 0.213 55 R C 0.910 177.194 176.300 -0.026 0.000 1.055 55 R CA 1.001 57.087 56.100 -0.023 0.000 0.995 55 R CB -0.031 30.237 30.300 -0.054 0.000 0.893 55 R HN 0.595 nan 8.270 nan 0.000 0.459 56 S N -0.956 114.737 115.700 -0.011 0.000 2.572 56 S HA 0.022 4.492 4.470 -0.000 0.000 0.279 56 S C 1.415 176.014 174.600 -0.001 0.000 1.341 56 S CA -0.757 57.438 58.200 -0.010 0.000 1.043 56 S CB 1.777 64.975 63.200 -0.005 0.000 0.887 56 S HN -0.060 nan 8.310 nan 0.000 0.516 57 V N 2.093 122.005 119.914 -0.004 0.000 2.343 57 V HA -0.101 4.018 4.120 -0.000 0.000 0.247 57 V C 2.656 178.756 176.094 0.010 0.000 1.051 57 V CA 1.976 64.277 62.300 0.001 0.000 1.036 57 V CB -0.950 30.867 31.823 -0.010 0.000 0.654 57 V HN 0.841 nan 8.190 nan 0.000 0.451 58 E N -0.021 120.182 120.200 0.005 0.000 2.077 58 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 58 E C 2.337 178.954 176.600 0.029 0.000 0.989 58 E CA 1.750 58.157 56.400 0.011 0.000 0.800 58 E CB -0.728 28.975 29.700 0.005 0.000 0.746 58 E HN 0.564 nan 8.360 nan 0.000 0.452 59 T N 1.711 116.280 114.554 0.025 0.000 2.777 59 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 59 T C 2.141 176.867 174.700 0.044 0.000 1.040 59 T CA 0.689 62.807 62.100 0.031 0.000 1.141 59 T CB -0.232 68.648 68.868 0.020 0.000 0.868 59 T HN 0.055 nan 8.240 nan 0.000 0.444 60 L N 0.529 121.779 121.223 0.044 0.000 2.042 60 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 60 L C 2.694 179.625 176.870 0.101 0.000 1.076 60 L CA 1.461 56.337 54.840 0.059 0.000 0.749 60 L CB -0.428 41.662 42.059 0.050 0.000 0.893 60 L HN 0.203 nan 8.230 nan 0.000 0.432 61 K N -0.360 120.116 120.400 0.126 0.000 2.034 61 K HA -0.237 4.083 4.320 -0.000 0.000 0.214 61 K C 2.111 178.853 176.600 0.236 0.000 1.051 61 K CA 1.725 58.157 56.287 0.241 0.000 0.931 61 K CB -0.117 32.467 32.500 0.141 0.000 0.715 61 K HN 0.241 nan 8.250 nan 0.000 0.446 62 E N 0.326 120.605 120.200 0.133 0.000 2.106 62 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 62 E C 1.976 178.602 176.600 0.043 0.000 0.984 62 E CA 1.162 57.614 56.400 0.087 0.000 0.806 62 E CB -0.133 29.605 29.700 0.062 0.000 0.750 62 E HN 0.378 nan 8.360 nan 0.000 0.458 63 M N 0.015 119.639 119.600 0.040 0.000 2.279 63 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 63 M C 2.201 178.489 176.300 -0.020 0.000 1.062 63 M CA 1.011 56.320 55.300 0.014 0.000 1.099 63 M CB -0.185 32.429 32.600 0.024 0.000 1.394 63 M HN 0.046 nan 8.290 nan 0.000 0.426 64 I N -0.187 120.372 120.570 -0.018 0.000 2.252 64 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 64 I C 2.225 178.237 176.117 -0.175 0.000 1.102 64 I CA 1.318 62.557 61.300 -0.102 0.000 1.385 64 I CB -0.265 37.673 38.000 -0.103 0.000 1.064 64 I HN 0.199 nan 8.210 nan 0.000 0.414 65 K N 0.168 120.482 120.400 -0.142 0.000 2.148 65 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 65 K C 2.142 178.662 176.600 -0.133 0.000 1.050 65 K CA 1.256 57.450 56.287 -0.154 0.000 0.942 65 K CB -0.047 32.418 32.500 -0.057 0.000 0.724 65 K HN 0.144 nan 8.250 nan 0.000 0.446 66 S N -0.974 114.666 115.700 -0.100 0.000 2.489 66 S HA 0.030 4.500 4.470 -0.000 0.000 0.228 66 S C 1.170 175.667 174.600 -0.171 0.000 0.995 66 S CA 0.939 59.069 58.200 -0.116 0.000 0.934 66 S CB 0.612 63.784 63.200 -0.047 0.000 0.771 66 S HN 0.613 nan 8.310 nan 0.000 0.522 67 G N 0.772 109.490 108.800 -0.137 0.000 2.370 67 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.174 67 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.174 67 G C 0.079 174.937 174.900 -0.071 0.000 1.002 67 G CA -0.279 44.755 45.100 -0.111 0.000 0.730 67 G HN 0.365 nan 8.290 nan 0.000 0.497 68 M N 1.035 120.590 119.600 -0.074 0.000 2.261 68 M HA 0.229 4.709 4.480 -0.000 0.000 0.350 68 M C 1.063 177.265 176.300 -0.163 0.000 1.343 68 M CA 1.215 56.469 55.300 -0.076 0.000 1.003 68 M CB 0.118 32.691 32.600 -0.046 0.000 1.848 68 M HN 0.287 nan 8.290 nan 0.000 0.456 69 N N 2.240 120.815 118.700 -0.208 0.000 2.516 69 N HA 0.190 4.930 4.740 -0.000 0.000 0.197 69 N C -1.074 174.221 175.510 -0.358 0.000 1.064 69 N CA -0.145 52.608 53.050 -0.496 0.000 0.866 69 N CB 1.006 39.173 38.487 -0.533 0.000 1.255 69 N HN 0.400 nan 8.380 nan 0.000 0.447 70 V N 1.005 120.847 119.914 -0.120 0.000 2.577 70 V HA 0.652 4.772 4.120 -0.000 0.000 0.303 70 V C -0.993 175.119 176.094 0.029 0.000 1.042 70 V CA -1.083 61.216 62.300 -0.001 0.000 0.872 70 V CB 1.566 33.447 31.823 0.096 0.000 0.998 70 V HN 0.101 nan 8.190 nan 0.000 0.423 71 A N 4.876 127.714 122.820 0.030 0.000 2.260 71 A HA 0.707 5.027 4.320 -0.000 0.000 0.308 71 A C 0.033 177.648 177.584 0.053 0.000 1.254 71 A CA -0.474 51.591 52.037 0.047 0.000 0.874 71 A CB 0.346 19.370 19.000 0.041 0.000 1.153 71 A HN 0.840 nan 8.150 nan 0.000 0.527 72 R N 3.831 124.386 120.500 0.092 0.000 2.229 72 R HA 0.457 4.796 4.340 -0.000 0.000 0.328 72 R C -0.840 175.533 176.300 0.123 0.000 1.009 72 R CA -0.496 55.665 56.100 0.101 0.000 0.864 72 R CB 0.476 30.908 30.300 0.220 0.000 1.085 72 R HN 0.688 nan 8.270 nan 0.000 0.453 73 M N 3.806 123.472 119.600 0.111 0.000 2.088 73 M HA 0.183 4.663 4.480 -0.000 0.000 0.346 73 M C -0.396 176.016 176.300 0.187 0.000 1.111 73 M CA -0.870 54.533 55.300 0.172 0.000 1.017 73 M CB 0.739 33.465 32.600 0.209 0.000 1.568 73 M HN 0.409 nan 8.290 nan 0.000 0.445 74 N N 2.636 121.460 118.700 0.207 0.000 2.415 74 N HA 0.196 4.936 4.740 -0.000 0.000 0.246 74 N C -0.411 175.203 175.510 0.174 0.000 1.078 74 N CA -0.174 53.009 53.050 0.222 0.000 0.942 74 N CB 0.248 38.882 38.487 0.245 0.000 1.140 74 N HN 0.390 nan 8.380 nan 0.000 0.501 75 F N 1.279 121.197 119.950 -0.052 0.000 2.804 75 F HA 0.125 4.651 4.527 -0.000 0.000 0.303 75 F C 2.075 177.893 175.800 0.031 0.000 1.154 75 F CA 0.112 58.086 58.000 -0.045 0.000 1.401 75 F CB 0.068 39.006 39.000 -0.103 0.000 1.106 75 F HN 0.461 nan 8.300 nan 0.000 0.568 76 S N -1.332 114.412 115.700 0.074 0.000 2.507 76 S HA -0.082 4.387 4.470 -0.000 0.000 0.235 76 S C 0.079 174.395 174.600 -0.475 0.000 0.988 76 S CA 0.845 58.927 58.200 -0.197 0.000 0.944 76 S CB -0.458 62.551 63.200 -0.319 0.000 0.762 76 S HN 0.435 nan 8.310 nan 0.000 0.526 77 H N -1.648 117.496 119.070 0.123 0.000 2.985 77 H HA 0.578 5.134 4.556 -0.000 0.000 0.360 77 H C 0.215 175.541 175.328 -0.003 0.000 1.221 77 H CA -0.273 55.793 56.048 0.030 0.000 1.121 77 H CB 1.244 30.993 29.762 -0.022 0.000 1.854 77 H HN 0.174 nan 8.280 nan 0.000 0.551 78 G N 0.560 109.315 108.800 -0.075 0.000 2.731 78 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.686 78 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.686 78 G C 0.054 174.880 174.900 -0.124 0.000 1.395 78 G CA -0.401 44.490 45.100 -0.349 0.000 0.870 78 G HN 0.894 nan 8.290 nan 0.000 0.591 79 T N -1.785 112.704 114.554 -0.108 0.000 2.824 79 T HA 0.534 4.884 4.350 -0.000 0.000 0.277 79 T C 1.371 176.135 174.700 0.106 0.000 0.975 79 T CA 0.515 62.617 62.100 0.004 0.000 0.966 79 T CB 1.171 70.032 68.868 -0.012 0.000 1.054 79 T HN 0.681 nan 8.240 nan 0.000 0.533 80 H N -0.525 118.470 119.070 -0.124 0.000 2.387 80 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 80 H C 2.321 177.611 175.328 -0.063 0.000 1.090 80 H CA 1.519 57.358 56.048 -0.348 0.000 1.332 80 H CB 0.212 29.517 29.762 -0.762 0.000 1.386 80 H HN 0.870 nan 8.280 nan 0.000 0.516 81 E N 0.787 121.062 120.200 0.126 0.000 2.033 81 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 81 E C 2.054 178.726 176.600 0.119 0.000 1.011 81 E CA 1.481 57.958 56.400 0.129 0.000 0.815 81 E CB -0.273 29.478 29.700 0.086 0.000 0.755 81 E HN 0.472 nan 8.360 nan 0.000 0.451 82 Y N 0.949 121.209 120.300 -0.067 0.000 2.097 82 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 82 Y C 2.398 178.202 175.900 -0.160 0.000 1.152 82 Y CA 2.415 60.418 58.100 -0.162 0.000 1.136 82 Y CB -0.369 37.906 38.460 -0.308 0.000 0.975 82 Y HN 0.249 nan 8.280 nan 0.000 0.498 83 H N -0.540 118.577 119.070 0.079 0.000 2.457 83 H HA -0.035 4.521 4.556 -0.000 0.000 0.294 83 H C 2.274 177.690 175.328 0.146 0.000 1.064 83 H CA 1.038 57.097 56.048 0.017 0.000 1.330 83 H CB -0.566 29.107 29.762 -0.148 0.000 1.395 83 H HN 0.541 nan 8.280 nan 0.000 0.541 84 A N 0.896 123.921 122.820 0.342 0.000 1.898 84 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 84 A C 2.369 180.018 177.584 0.109 0.000 1.181 84 A CA 1.530 53.749 52.037 0.303 0.000 0.620 84 A CB -0.289 18.938 19.000 0.378 0.000 0.819 84 A HN 0.454 nan 8.150 nan 0.000 0.442 85 E N -0.648 119.564 120.200 0.020 0.000 2.107 85 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 85 E C 1.874 178.419 176.600 -0.091 0.000 0.982 85 E CA 1.469 57.840 56.400 -0.050 0.000 0.809 85 E CB -0.091 29.555 29.700 -0.091 0.000 0.756 85 E HN 0.561 nan 8.360 nan 0.000 0.459 86 T N 1.216 115.673 114.554 -0.162 0.000 2.746 86 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 86 T C 1.875 176.564 174.700 -0.017 0.000 1.039 86 T CA 1.269 63.289 62.100 -0.133 0.000 1.142 86 T CB -0.165 68.602 68.868 -0.168 0.000 0.866 86 T HN 0.187 nan 8.240 nan 0.000 0.444 87 I N 0.952 121.543 120.570 0.035 0.000 2.226 87 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 87 I C 2.641 178.775 176.117 0.027 0.000 1.100 87 I CA 1.219 62.548 61.300 0.049 0.000 1.374 87 I CB -0.328 37.714 38.000 0.070 0.000 1.057 87 I HN 0.216 nan 8.210 nan 0.000 0.413 88 K N 1.288 121.700 120.400 0.020 0.000 2.009 88 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 88 K C 1.920 178.526 176.600 0.011 0.000 1.049 88 K CA 2.023 58.318 56.287 0.014 0.000 0.929 88 K CB -0.132 32.375 32.500 0.011 0.000 0.714 88 K HN 0.207 nan 8.250 nan 0.000 0.440 89 N N 0.810 119.508 118.700 -0.002 0.000 2.061 89 N HA -0.175 4.565 4.740 -0.000 0.000 0.193 89 N C 1.849 177.370 175.510 0.018 0.000 1.030 89 N CA 1.548 54.597 53.050 -0.002 0.000 0.856 89 N CB -0.650 37.823 38.487 -0.023 0.000 1.023 89 N HN 0.051 nan 8.380 nan 0.000 0.424 90 V N 1.162 121.091 119.914 0.025 0.000 2.343 90 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 90 V C 2.313 178.445 176.094 0.063 0.000 1.051 90 V CA 1.590 63.917 62.300 0.045 0.000 1.036 90 V CB -0.400 31.449 31.823 0.043 0.000 0.654 90 V HN 0.283 nan 8.190 nan 0.000 0.451 91 R N -0.312 120.221 120.500 0.055 0.000 2.075 91 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 91 R C 2.436 178.778 176.300 0.071 0.000 1.126 91 R CA 1.902 58.044 56.100 0.070 0.000 0.963 91 R CB -0.721 29.610 30.300 0.052 0.000 0.858 91 R HN 0.510 nan 8.270 nan 0.000 0.435 92 T N 0.903 115.483 114.554 0.043 0.000 2.746 92 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 92 T C 1.935 176.651 174.700 0.026 0.000 1.039 92 T CA 1.411 63.526 62.100 0.024 0.000 1.142 92 T CB -0.272 68.598 68.868 0.004 0.000 0.866 92 T HN 0.381 nan 8.240 nan 0.000 0.444 93 A N 1.629 124.478 122.820 0.049 0.000 1.858 93 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 93 A C 2.591 180.284 177.584 0.180 0.000 1.190 93 A CA 2.222 54.307 52.037 0.080 0.000 0.617 93 A CB -1.418 17.645 19.000 0.105 0.000 0.827 93 A HN 0.474 nan 8.150 nan 0.000 0.443 94 T N 0.202 114.884 114.554 0.214 0.000 2.720 94 T HA -0.120 4.229 4.350 -0.000 0.000 0.268 94 T C 1.575 176.532 174.700 0.428 0.000 1.037 94 T CA 1.601 63.893 62.100 0.320 0.000 1.144 94 T CB -0.238 68.763 68.868 0.222 0.000 0.864 94 T HN 0.466 nan 8.240 nan 0.000 0.444 95 E N 1.345 121.689 120.200 0.240 0.000 2.435 95 E HA 0.028 4.377 4.350 -0.000 0.000 0.195 95 E C 2.391 179.027 176.600 0.059 0.000 1.029 95 E CA 0.443 56.943 56.400 0.167 0.000 0.865 95 E CB -0.343 29.405 29.700 0.079 0.000 0.833 95 E HN 0.664 nan 8.360 nan 0.000 0.510 96 S N -0.370 115.295 115.700 -0.059 0.000 2.507 96 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 96 S C 1.337 175.709 174.600 -0.380 0.000 0.988 96 S CA 0.444 58.475 58.200 -0.281 0.000 0.944 96 S CB -0.380 62.539 63.200 -0.469 0.000 0.762 96 S HN 0.124 nan 8.310 nan 0.000 0.526 97 F N 0.777 120.807 119.950 0.133 0.000 2.704 97 F HA 0.582 5.109 4.527 -0.000 0.000 0.304 97 F C 2.276 178.190 175.800 0.189 0.000 1.094 97 F CA -0.301 57.799 58.000 0.166 0.000 1.275 97 F CB -0.320 38.799 39.000 0.198 0.000 1.073 97 F HN 0.241 nan 8.300 nan 0.000 0.586 98 A N 0.302 123.253 122.820 0.217 0.000 2.070 98 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 98 A C 2.371 179.919 177.584 -0.059 0.000 1.159 98 A CA 1.784 53.750 52.037 -0.118 0.000 0.656 98 A CB -0.968 17.870 19.000 -0.269 0.000 0.800 98 A HN 0.384 nan 8.150 nan 0.000 0.453 99 S N -0.301 115.406 115.700 0.011 0.000 2.370 99 S HA -0.161 4.309 4.470 -0.000 0.000 0.226 99 S C 0.843 175.457 174.600 0.024 0.000 1.033 99 S CA 1.169 59.372 58.200 0.005 0.000 1.011 99 S CB -0.385 62.820 63.200 0.008 0.000 0.852 99 S HN 0.589 nan 8.310 nan 0.000 0.457 100 D N 2.527 122.969 120.400 0.070 0.000 2.443 100 D HA 0.299 4.939 4.640 -0.000 0.000 0.221 100 D C -2.249 174.113 176.300 0.102 0.000 1.097 100 D CA -2.111 51.935 54.000 0.077 0.000 0.865 100 D CB 1.691 42.546 40.800 0.092 0.000 1.034 100 D HN 0.122 nan 8.370 nan 0.000 0.511 101 P HA 0.029 nan 4.420 nan 0.000 0.241 101 P C 1.543 178.908 177.300 0.108 0.000 1.191 101 P CA 0.016 63.157 63.100 0.069 0.000 0.771 101 P CB 0.563 32.269 31.700 0.010 0.000 0.929 102 I N -0.938 119.684 120.570 0.087 0.000 2.277 102 I HA -0.094 4.076 4.170 -0.000 0.000 0.243 102 I C 2.196 178.366 176.117 0.089 0.000 1.094 102 I CA 1.315 62.660 61.300 0.075 0.000 1.393 102 I CB -1.170 36.856 38.000 0.043 0.000 1.078 102 I HN 0.000 nan 8.210 nan 0.000 0.417 103 L N -0.869 120.411 121.223 0.095 0.000 2.162 103 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 103 L C 0.983 177.904 176.870 0.084 0.000 1.086 103 L CA -0.036 54.848 54.840 0.074 0.000 0.778 103 L CB -0.464 41.629 42.059 0.057 0.000 0.928 103 L HN 0.107 nan 8.230 nan 0.000 0.446 104 Y N 2.681 122.993 120.300 0.021 0.000 3.059 104 Y HA -0.168 4.382 4.550 -0.000 0.000 0.343 104 Y C 0.179 176.046 175.900 -0.055 0.000 1.273 104 Y CA 0.110 58.218 58.100 0.013 0.000 1.572 104 Y CB 0.218 38.708 38.460 0.049 0.000 1.228 104 Y HN 0.019 nan 8.280 nan 0.000 0.610 105 R N 7.281 127.262 120.500 -0.866 0.000 2.437 105 R HA 0.386 4.726 4.340 -0.000 0.000 0.310 105 R C -2.763 172.940 176.300 -0.996 0.000 0.955 105 R CA -2.716 52.920 56.100 -0.772 0.000 0.851 105 R CB 0.995 31.009 30.300 -0.477 0.000 1.161 105 R HN 0.484 nan 8.270 nan 0.000 0.446 106 P HA 0.149 nan 4.420 nan 0.000 0.271 106 P C -0.588 176.709 177.300 -0.006 0.000 1.218 106 P CA -0.285 62.678 63.100 -0.228 0.000 0.780 106 P CB 0.752 32.419 31.700 -0.054 0.000 0.901 107 V N 2.190 122.117 119.914 0.023 0.000 2.483 107 V HA 0.578 4.698 4.120 -0.000 0.000 0.297 107 V C 0.237 176.380 176.094 0.081 0.000 1.027 107 V CA -0.933 61.377 62.300 0.017 0.000 0.855 107 V CB 1.458 33.269 31.823 -0.021 0.000 0.995 107 V HN 0.675 nan 8.190 nan 0.000 0.424 108 A N 4.635 127.519 122.820 0.107 0.000 2.340 108 A HA 0.766 5.086 4.320 -0.000 0.000 0.268 108 A C -0.385 177.226 177.584 0.045 0.000 1.100 108 A CA -0.328 51.773 52.037 0.106 0.000 0.803 108 A CB 0.874 19.972 19.000 0.164 0.000 1.043 108 A HN 0.754 nan 8.150 nan 0.000 0.488 109 V N 1.304 121.230 119.914 0.019 0.000 2.409 109 V HA 0.645 4.765 4.120 -0.000 0.000 0.291 109 V C 0.326 176.366 176.094 -0.090 0.000 1.020 109 V CA -0.174 62.117 62.300 -0.016 0.000 0.848 109 V CB 1.121 32.942 31.823 -0.004 0.000 0.990 109 V HN 1.185 nan 8.190 nan 0.000 0.430 110 A N 5.237 127.959 122.820 -0.163 0.000 2.331 110 A HA 0.845 5.165 4.320 -0.000 0.000 0.320 110 A C -0.943 176.414 177.584 -0.377 0.000 1.138 110 A CA -0.555 51.228 52.037 -0.424 0.000 0.790 110 A CB 1.319 19.843 19.000 -0.792 0.000 1.206 110 A HN 0.923 nan 8.150 nan 0.000 0.470 111 L N 2.627 123.606 121.223 -0.406 0.000 2.265 111 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 111 L C -0.925 175.778 176.870 -0.278 0.000 1.033 111 L CA -0.498 54.168 54.840 -0.290 0.000 0.814 111 L CB 0.876 42.721 42.059 -0.357 0.000 1.203 111 L HN 0.700 nan 8.230 nan 0.000 0.423 112 D N 4.067 124.420 120.400 -0.077 0.000 2.373 112 D HA 0.171 4.811 4.640 -0.000 0.000 0.227 112 D C -0.299 176.051 176.300 0.084 0.000 1.091 112 D CA -0.181 53.860 54.000 0.069 0.000 0.840 112 D CB 1.470 42.392 40.800 0.204 0.000 1.060 112 D HN 0.606 nan 8.370 nan 0.000 0.502 113 T N 0.960 115.539 114.554 0.042 0.000 2.913 113 T HA 0.125 4.475 4.350 -0.000 0.000 0.297 113 T C 1.345 176.105 174.700 0.099 0.000 1.029 113 T CA -0.544 61.580 62.100 0.040 0.000 1.104 113 T CB 2.215 71.092 68.868 0.016 0.000 0.964 113 T HN 0.398 nan 8.240 nan 0.000 0.532 114 K N 2.397 122.868 120.400 0.120 0.000 1.991 114 K HA 0.102 4.421 4.320 -0.000 0.000 0.212 114 K C 1.297 177.990 176.600 0.155 0.000 1.049 114 K CA 1.511 57.869 56.287 0.118 0.000 0.932 114 K CB -1.096 31.462 32.500 0.098 0.000 0.717 114 K HN 1.172 nan 8.250 nan 0.000 0.441 115 G N -0.068 108.811 108.800 0.131 0.000 2.693 115 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 115 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 115 G C -2.520 172.441 174.900 0.102 0.000 1.354 115 G CA -0.190 45.009 45.100 0.164 0.000 0.873 115 G HN 0.298 nan 8.290 nan 0.000 0.562 116 P HA 0.260 nan 4.420 nan 0.000 0.237 116 P C -0.108 176.991 177.300 -0.335 0.000 1.788 116 P CA 0.285 63.281 63.100 -0.173 0.000 1.061 116 P CB 0.009 31.568 31.700 -0.235 0.000 1.967 117 E N 1.612 121.719 120.200 -0.155 0.000 2.343 117 E HA 0.360 4.709 4.350 -0.000 0.000 0.269 117 E C 0.052 176.551 176.600 -0.168 0.000 1.047 117 E CA -0.668 55.653 56.400 -0.132 0.000 0.874 117 E CB 1.120 30.837 29.700 0.028 0.000 1.033 117 E HN 0.353 nan 8.360 nan 0.000 0.409 118 I N 2.969 123.444 120.570 -0.157 0.000 2.406 118 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 118 I C 0.086 176.193 176.117 -0.017 0.000 0.999 118 I CA -0.476 60.760 61.300 -0.108 0.000 1.124 118 I CB 1.293 39.217 38.000 -0.126 0.000 1.289 118 I HN 0.247 nan 8.210 nan 0.000 0.441 119 R N 2.648 123.156 120.500 0.012 0.000 2.837 119 R HA 0.605 4.945 4.340 -0.000 0.000 0.271 119 R C -0.568 175.781 176.300 0.083 0.000 0.993 119 R CA -0.858 55.285 56.100 0.072 0.000 0.931 119 R CB 2.555 32.925 30.300 0.117 0.000 1.206 119 R HN 0.703 nan 8.270 nan 0.000 0.474 120 T N -1.582 113.055 114.554 0.138 0.000 2.881 120 T HA 0.479 4.829 4.350 -0.000 0.000 0.278 120 T C 0.855 175.779 174.700 0.374 0.000 0.982 120 T CA -0.542 61.679 62.100 0.201 0.000 0.989 120 T CB 1.492 70.456 68.868 0.159 0.000 1.058 120 T HN 0.606 nan 8.240 nan 0.000 0.529 121 G N 0.025 109.159 108.800 0.557 0.000 2.485 121 G HA2 0.517 4.477 3.960 -0.000 0.000 0.260 121 G HA3 0.517 4.477 3.960 -0.000 0.000 0.260 121 G C -0.551 174.469 174.900 0.201 0.000 1.459 121 G CA -1.083 44.280 45.100 0.439 0.000 1.060 121 G HN 0.804 nan 8.290 nan 0.000 0.546 122 L N 0.621 121.900 121.223 0.093 0.000 2.309 122 L HA 0.333 4.673 4.340 -0.000 0.000 0.282 122 L C 0.113 177.021 176.870 0.063 0.000 1.036 122 L CA -0.919 53.957 54.840 0.060 0.000 0.806 122 L CB 1.620 43.685 42.059 0.009 0.000 1.220 122 L HN 0.239 nan 8.230 nan 0.000 0.429 123 I N 2.714 123.322 120.570 0.065 0.000 2.813 123 I HA -0.013 4.157 4.170 -0.000 0.000 0.287 123 I C 0.778 176.920 176.117 0.043 0.000 1.196 123 I CA -0.014 61.323 61.300 0.063 0.000 1.421 123 I CB 0.423 38.460 38.000 0.062 0.000 1.365 123 I HN 0.697 nan 8.210 nan 0.000 0.591 124 K N 4.017 124.444 120.400 0.046 0.000 2.286 124 K HA 0.176 4.495 4.320 -0.000 0.000 0.256 124 K C 1.021 177.634 176.600 0.022 0.000 0.999 124 K CA 0.026 56.332 56.287 0.032 0.000 0.908 124 K CB 0.319 32.844 32.500 0.042 0.000 0.981 124 K HN 0.691 nan 8.250 nan 0.000 0.500 125 G N 0.663 109.470 108.800 0.012 0.000 2.408 125 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 125 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 125 G C 0.300 175.205 174.900 0.010 0.000 1.156 125 G CA 0.344 45.448 45.100 0.006 0.000 0.793 125 G HN 0.796 nan 8.290 nan 0.000 0.535 126 S N 0.334 116.041 115.700 0.013 0.000 2.549 126 S HA 0.515 4.985 4.470 -0.000 0.000 0.283 126 S C 0.869 175.480 174.600 0.019 0.000 1.320 126 S CA 0.191 58.399 58.200 0.014 0.000 1.058 126 S CB 0.994 64.203 63.200 0.015 0.000 0.882 126 S HN 1.722 nan 8.310 nan 0.000 0.498 127 G N 2.271 111.081 108.800 0.016 0.000 2.542 127 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.235 127 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.235 127 G C -0.017 174.894 174.900 0.018 0.000 1.286 127 G CA -0.225 44.887 45.100 0.019 0.000 0.904 127 G HN 1.998 nan 8.290 nan 0.000 0.577 128 T N -1.386 113.182 114.554 0.023 0.000 2.897 128 T HA 0.672 5.021 4.350 -0.000 0.000 0.294 128 T C 1.731 176.444 174.700 0.023 0.000 1.004 128 T CA 0.676 62.786 62.100 0.016 0.000 1.106 128 T CB 1.548 70.425 68.868 0.016 0.000 0.949 128 T HN 2.213 nan 8.240 nan 0.000 0.520 129 A N 2.233 125.058 122.820 0.008 0.000 2.032 129 A HA -0.037 4.283 4.320 -0.000 0.000 0.221 129 A C 0.955 178.560 177.584 0.035 0.000 1.165 129 A CA 1.108 53.153 52.037 0.014 0.000 0.645 129 A CB -0.565 18.434 19.000 -0.002 0.000 0.807 129 A HN 0.916 nan 8.150 nan 0.000 0.453 130 E N -0.827 119.400 120.200 0.046 0.000 2.212 130 E HA 0.474 4.824 4.350 -0.000 0.000 0.268 130 E C -0.845 175.859 176.600 0.172 0.000 0.902 130 E CA -0.758 55.704 56.400 0.104 0.000 0.779 130 E CB 2.287 32.045 29.700 0.098 0.000 1.172 130 E HN 0.255 nan 8.360 nan 0.000 0.409 131 V N -0.504 119.517 119.914 0.178 0.000 2.713 131 V HA 0.457 4.576 4.120 -0.000 0.000 0.307 131 V C -0.155 176.043 176.094 0.173 0.000 1.052 131 V CA -0.750 61.647 62.300 0.161 0.000 0.967 131 V CB 1.625 33.502 31.823 0.091 0.000 1.019 131 V HN 0.735 nan 8.190 nan 0.000 0.459 132 E N 2.969 123.215 120.200 0.077 0.000 2.109 132 E HA 0.464 4.814 4.350 -0.000 0.000 0.278 132 E C -1.125 175.393 176.600 -0.137 0.000 0.954 132 E CA -0.632 55.664 56.400 -0.174 0.000 0.779 132 E CB 1.320 30.851 29.700 -0.281 0.000 1.093 132 E HN 0.786 nan 8.360 nan 0.000 0.401 133 L N 5.545 126.673 121.223 -0.158 0.000 2.260 133 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 133 L C -0.005 176.781 176.870 -0.140 0.000 1.057 133 L CA -0.332 54.444 54.840 -0.108 0.000 0.811 133 L CB 0.713 42.730 42.059 -0.071 0.000 1.184 133 L HN 0.402 nan 8.230 nan 0.000 0.429 134 K N 3.751 124.088 120.400 -0.105 0.000 2.182 134 K HA 0.311 4.630 4.320 -0.000 0.000 0.262 134 K C -0.429 176.130 176.600 -0.069 0.000 0.957 134 K CA -0.999 55.229 56.287 -0.099 0.000 0.842 134 K CB 2.263 34.713 32.500 -0.083 0.000 1.099 134 K HN 0.345 nan 8.250 nan 0.000 0.438 135 K N 0.812 121.174 120.400 -0.062 0.000 2.473 135 K HA -0.124 4.196 4.320 -0.000 0.000 0.277 135 K C 0.800 177.378 176.600 -0.038 0.000 1.052 135 K CA 1.534 57.794 56.287 -0.046 0.000 1.114 135 K CB -0.149 32.329 32.500 -0.037 0.000 0.869 135 K HN 0.881 nan 8.250 nan 0.000 0.481 136 G N 2.016 110.795 108.800 -0.035 0.000 2.258 136 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.233 136 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.233 136 G C 0.154 175.036 174.900 -0.029 0.000 1.006 136 G CA -0.009 45.073 45.100 -0.029 0.000 0.620 136 G HN 0.924 nan 8.290 nan 0.000 0.511 137 A N 0.684 123.484 122.820 -0.033 0.000 2.386 137 A HA 0.692 5.012 4.320 -0.000 0.000 0.248 137 A C 0.938 178.504 177.584 -0.031 0.000 1.082 137 A CA 1.238 53.257 52.037 -0.031 0.000 0.789 137 A CB 0.211 19.191 19.000 -0.035 0.000 1.025 137 A HN 1.791 nan 8.150 nan 0.000 0.490 138 T N -0.616 113.921 114.554 -0.028 0.000 2.909 138 T HA 0.558 4.908 4.350 -0.000 0.000 0.286 138 T C -0.549 174.133 174.700 -0.029 0.000 1.002 138 T CA -0.497 61.587 62.100 -0.027 0.000 1.074 138 T CB 0.936 69.791 68.868 -0.022 0.000 0.984 138 T HN 0.949 nan 8.240 nan 0.000 0.495 139 L N 1.453 122.659 121.223 -0.027 0.000 2.409 139 L HA 0.589 4.929 4.340 -0.000 0.000 0.272 139 L C -0.440 176.417 176.870 -0.022 0.000 0.980 139 L CA -0.731 54.092 54.840 -0.027 0.000 0.826 139 L CB 1.962 44.006 42.059 -0.026 0.000 1.268 139 L HN 0.826 nan 8.230 nan 0.000 0.407 140 K N 5.417 125.796 120.400 -0.035 0.000 2.284 140 K HA 0.477 4.797 4.320 -0.000 0.000 0.287 140 K C -0.770 175.817 176.600 -0.022 0.000 1.081 140 K CA -0.268 56.002 56.287 -0.029 0.000 0.910 140 K CB 0.397 32.841 32.500 -0.093 0.000 1.088 140 K HN 0.651 nan 8.250 nan 0.000 0.478 141 I N 3.308 123.884 120.570 0.010 0.000 2.371 141 I HA 0.066 4.236 4.170 -0.000 0.000 0.290 141 I C 0.568 176.698 176.117 0.022 0.000 1.028 141 I CA -0.019 61.281 61.300 -0.000 0.000 1.345 141 I CB 1.567 39.553 38.000 -0.023 0.000 1.407 141 I HN 0.562 nan 8.210 nan 0.000 0.501 142 T N 5.999 120.559 114.554 0.011 0.000 2.932 142 T HA 0.580 4.930 4.350 -0.000 0.000 0.289 142 T C 0.517 175.225 174.700 0.014 0.000 1.039 142 T CA -0.526 61.611 62.100 0.061 0.000 1.024 142 T CB 1.236 70.133 68.868 0.049 0.000 1.090 142 T HN 0.498 nan 8.240 nan 0.000 0.496 143 L N 1.100 122.375 121.223 0.087 0.000 2.781 143 L HA 0.364 4.704 4.340 -0.000 0.000 0.245 143 L C 0.562 177.650 176.870 0.363 0.000 1.118 143 L CA -0.223 54.636 54.840 0.032 0.000 0.918 143 L CB 0.405 42.451 42.059 -0.021 0.000 1.246 143 L HN 0.552 nan 8.230 nan 0.000 0.526 144 D N 1.187 121.835 120.400 0.413 0.000 2.382 144 D HA -0.042 4.598 4.640 -0.000 0.000 0.259 144 D C 0.859 177.430 176.300 0.452 0.000 1.224 144 D CA 0.256 54.496 54.000 0.401 0.000 0.894 144 D CB 0.840 41.866 40.800 0.378 0.000 1.127 144 D HN 0.005 nan 8.370 nan 0.000 0.487 145 N N 3.039 121.899 118.700 0.267 0.000 2.519 145 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 145 N C 1.479 176.883 175.510 -0.177 0.000 1.062 145 N CA 0.674 53.719 53.050 -0.008 0.000 0.910 145 N CB -0.077 38.413 38.487 0.005 0.000 0.958 145 N HN 0.521 nan 8.380 nan 0.000 0.445 146 A N -0.016 122.723 122.820 -0.134 0.000 1.986 146 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 146 A C 1.059 178.353 177.584 -0.483 0.000 1.171 146 A CA 1.173 52.991 52.037 -0.365 0.000 0.640 146 A CB -0.589 18.083 19.000 -0.547 0.000 0.811 146 A HN 0.385 nan 8.150 nan 0.000 0.451 147 Y N -1.762 118.481 120.300 -0.096 0.000 2.555 147 Y HA 0.306 4.856 4.550 -0.000 0.000 0.259 147 Y C 1.806 177.572 175.900 -0.223 0.000 1.179 147 Y CA 0.105 58.164 58.100 -0.069 0.000 1.230 147 Y CB -0.205 38.299 38.460 0.074 0.000 1.146 147 Y HN 0.301 nan 8.280 nan 0.000 0.526 148 M N 0.336 119.614 119.600 -0.537 0.000 2.195 148 M HA -0.232 4.248 4.480 -0.000 0.000 0.260 148 M C 0.373 176.400 176.300 -0.455 0.000 1.066 148 M CA 2.103 56.735 55.300 -1.114 0.000 1.089 148 M CB 0.153 31.987 32.600 -1.277 0.000 1.377 148 M HN 0.280 nan 8.290 nan 0.000 0.411 149 E N -0.692 119.359 120.200 -0.249 0.000 2.789 149 E HA 0.128 4.478 4.350 -0.000 0.000 0.208 149 E C -0.414 176.164 176.600 -0.036 0.000 0.988 149 E CA -0.046 56.284 56.400 -0.116 0.000 1.092 149 E CB 0.622 30.247 29.700 -0.124 0.000 1.066 149 E HN 0.315 nan 8.360 nan 0.000 0.465 150 K N 0.681 121.095 120.400 0.022 0.000 3.123 150 K HA 0.253 4.573 4.320 -0.000 0.000 0.209 150 K C -0.810 175.882 176.600 0.153 0.000 1.132 150 K CA -0.298 56.042 56.287 0.088 0.000 0.992 150 K CB 0.537 33.097 32.500 0.100 0.000 0.773 150 K HN 0.060 nan 8.250 nan 0.000 0.458 151 C N 2.359 121.737 119.300 0.130 0.000 2.593 151 C HA 0.286 4.746 4.460 -0.000 0.000 0.409 151 C C 0.445 175.493 174.990 0.097 0.000 1.304 151 C CA -0.316 58.783 59.018 0.135 0.000 2.007 151 C CB -0.453 27.379 27.740 0.153 0.000 2.614 151 C HN 0.692 nan 8.230 nan 0.000 0.585 152 D N 0.432 120.879 120.400 0.079 0.000 2.838 152 D HA 0.140 4.779 4.640 -0.000 0.000 0.334 152 D C 0.614 176.939 176.300 0.041 0.000 1.315 152 D CA -0.626 53.410 54.000 0.060 0.000 0.917 152 D CB 0.059 40.891 40.800 0.054 0.000 1.435 152 D HN 0.524 nan 8.370 nan 0.000 0.517 153 E N -0.092 120.127 120.200 0.031 0.000 2.333 153 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 153 E C 0.096 176.694 176.600 -0.004 0.000 1.007 153 E CA 0.981 57.387 56.400 0.011 0.000 0.845 153 E CB -0.291 29.412 29.700 0.004 0.000 0.766 153 E HN 0.358 nan 8.360 nan 0.000 0.507 154 N N 0.518 119.214 118.700 -0.006 0.000 2.432 154 N HA 0.162 4.902 4.740 -0.000 0.000 0.174 154 N C 0.426 175.906 175.510 -0.049 0.000 1.037 154 N CA 0.345 53.379 53.050 -0.027 0.000 0.892 154 N CB 1.140 39.612 38.487 -0.026 0.000 1.049 154 N HN 0.250 nan 8.380 nan 0.000 0.442 155 I N 0.845 121.388 120.570 -0.044 0.000 2.534 155 I HA 0.288 4.458 4.170 -0.000 0.000 0.286 155 I C -1.950 174.164 176.117 -0.005 0.000 1.094 155 I CA -0.835 60.415 61.300 -0.084 0.000 1.055 155 I CB 1.572 39.430 38.000 -0.237 0.000 1.225 155 I HN -0.257 nan 8.210 nan 0.000 0.435 156 L N 8.692 129.927 121.223 0.019 0.000 2.316 156 L HA 0.512 4.852 4.340 -0.000 0.000 0.280 156 L C -1.473 175.480 176.870 0.139 0.000 1.006 156 L CA -0.164 54.729 54.840 0.089 0.000 0.836 156 L CB 1.155 43.248 42.059 0.057 0.000 1.221 156 L HN 0.735 nan 8.230 nan 0.000 0.418 157 W N 7.534 128.859 121.300 0.042 0.000 2.287 157 W HA 0.542 5.202 4.660 -0.000 0.000 0.313 157 W C -1.095 175.464 176.519 0.066 0.000 1.267 157 W CA -0.468 56.917 57.345 0.068 0.000 1.201 157 W CB 0.956 30.482 29.460 0.110 0.000 1.196 157 W HN 0.530 nan 8.180 nan 0.000 0.536 158 L N 2.843 123.683 121.223 -0.639 0.000 2.283 158 L HA 0.609 4.949 4.340 -0.000 0.000 0.259 158 L C 0.165 176.182 176.870 -1.421 0.000 1.027 158 L CA -0.865 53.569 54.840 -0.677 0.000 0.828 158 L CB 1.560 43.458 42.059 -0.269 0.000 1.380 158 L HN 0.528 nan 8.230 nan 0.000 0.425 159 D N -1.704 118.200 120.400 -0.827 0.000 2.340 159 D HA 0.008 4.648 4.640 -0.000 0.000 0.217 159 D C -0.064 176.138 176.300 -0.163 0.000 1.081 159 D CA 0.152 53.800 54.000 -0.585 0.000 0.842 159 D CB -0.197 40.581 40.800 -0.036 0.000 0.934 159 D HN 0.451 nan 8.370 nan 0.000 0.511 160 Y N 2.422 122.539 120.300 -0.305 0.000 2.595 160 Y HA 0.261 4.811 4.550 -0.000 0.000 0.347 160 Y C 0.811 176.612 175.900 -0.165 0.000 1.025 160 Y CA -1.546 56.445 58.100 -0.182 0.000 1.295 160 Y CB 0.601 38.968 38.460 -0.156 0.000 1.147 160 Y HN -0.225 nan 8.280 nan 0.000 0.515 161 K N 3.131 123.528 120.400 -0.004 0.000 2.362 161 K HA -0.087 4.233 4.320 -0.000 0.000 0.200 161 K C 0.440 176.891 176.600 -0.248 0.000 1.046 161 K CA 0.712 56.935 56.287 -0.107 0.000 0.952 161 K CB 0.184 32.688 32.500 0.006 0.000 0.753 161 K HN 0.688 nan 8.250 nan 0.000 0.466 162 N N 0.836 119.240 118.700 -0.492 0.000 2.214 162 N HA 0.107 4.847 4.740 -0.000 0.000 0.214 162 N C 1.293 176.284 175.510 -0.865 0.000 1.132 162 N CA -0.095 52.636 53.050 -0.532 0.000 0.856 162 N CB 0.384 38.733 38.487 -0.230 0.000 1.020 162 N HN 0.096 nan 8.380 nan 0.000 0.509 163 I N 0.378 120.268 120.570 -1.132 0.000 2.248 163 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 163 I C 1.759 177.645 176.117 -0.384 0.000 1.107 163 I CA 1.276 62.081 61.300 -0.825 0.000 1.373 163 I CB 0.076 37.786 38.000 -0.483 0.000 1.055 163 I HN 0.234 nan 8.210 nan 0.000 0.418 164 C N 0.611 119.721 119.300 -0.317 0.000 2.432 164 C HA -0.096 4.364 4.460 -0.000 0.000 0.282 164 C C 2.454 177.335 174.990 -0.181 0.000 1.388 164 C CA 0.610 59.493 59.018 -0.225 0.000 1.777 164 C CB -1.165 26.441 27.740 -0.223 0.000 1.882 164 C HN 0.433 nan 8.230 nan 0.000 0.520 165 K N 0.648 120.936 120.400 -0.186 0.000 2.366 165 K HA -0.031 4.289 4.320 -0.000 0.000 0.198 165 K C 1.656 178.203 176.600 -0.087 0.000 1.044 165 K CA 1.218 57.431 56.287 -0.124 0.000 0.973 165 K CB 0.143 32.578 32.500 -0.108 0.000 0.767 165 K HN 0.603 nan 8.250 nan 0.000 0.475 166 V N -2.801 117.059 119.914 -0.090 0.000 3.572 166 V HA 0.133 4.253 4.120 -0.000 0.000 0.260 166 V C 0.611 176.688 176.094 -0.029 0.000 1.324 166 V CA -0.537 61.744 62.300 -0.032 0.000 1.068 166 V CB 0.129 31.971 31.823 0.032 0.000 0.837 166 V HN -0.068 nan 8.190 nan 0.000 0.450 167 V N -0.348 119.534 119.914 -0.054 0.000 2.863 167 V HA 0.712 4.832 4.120 -0.000 0.000 0.307 167 V C -0.837 175.222 176.094 -0.059 0.000 1.061 167 V CA -0.375 61.897 62.300 -0.046 0.000 1.024 167 V CB 1.433 33.225 31.823 -0.051 0.000 1.049 167 V HN 0.392 nan 8.190 nan 0.000 0.471 168 D N 0.699 121.071 120.400 -0.048 0.000 2.547 168 D HA 0.405 5.045 4.640 -0.000 0.000 0.231 168 D C -0.688 175.584 176.300 -0.048 0.000 1.099 168 D CA -0.491 53.480 54.000 -0.050 0.000 0.901 168 D CB 2.325 43.102 40.800 -0.038 0.000 1.478 168 D HN 0.521 nan 8.370 nan 0.000 0.471 169 V N 1.105 120.989 119.914 -0.049 0.000 2.583 169 V HA 0.251 4.371 4.120 -0.000 0.000 0.302 169 V C 1.562 177.636 176.094 -0.033 0.000 1.033 169 V CA 1.958 64.233 62.300 -0.041 0.000 1.194 169 V CB 0.134 31.935 31.823 -0.037 0.000 0.879 169 V HN 1.035 nan 8.190 nan 0.000 0.482 170 G N 3.756 112.537 108.800 -0.032 0.000 2.195 170 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.224 170 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.224 170 G C 0.328 175.213 174.900 -0.025 0.000 0.990 170 G CA 0.072 45.156 45.100 -0.026 0.000 0.639 170 G HN 0.742 nan 8.290 nan 0.000 0.514 171 S N 1.774 117.457 115.700 -0.030 0.000 2.565 171 S HA 0.525 4.995 4.470 -0.000 0.000 0.276 171 S C 0.416 174.992 174.600 -0.040 0.000 1.326 171 S CA -0.287 57.899 58.200 -0.023 0.000 1.045 171 S CB 1.172 64.358 63.200 -0.022 0.000 0.918 171 S HN 0.331 nan 8.310 nan 0.000 0.505 172 K N 1.913 122.296 120.400 -0.029 0.000 2.143 172 K HA 0.485 4.804 4.320 -0.000 0.000 0.272 172 K C -0.864 175.668 176.600 -0.114 0.000 1.001 172 K CA -0.470 55.753 56.287 -0.106 0.000 0.915 172 K CB 1.361 33.831 32.500 -0.051 0.000 1.047 172 K HN 0.323 nan 8.250 nan 0.000 0.458 173 V N 3.854 123.616 119.914 -0.252 0.000 2.443 173 V HA 0.262 4.382 4.120 -0.000 0.000 0.293 173 V C -1.187 174.730 176.094 -0.294 0.000 1.021 173 V CA -0.948 61.259 62.300 -0.155 0.000 0.848 173 V CB 0.786 32.554 31.823 -0.092 0.000 0.998 173 V HN 0.554 nan 8.190 nan 0.000 0.424 174 Y N 3.293 123.603 120.300 0.016 0.000 2.330 174 Y HA 0.670 5.220 4.550 -0.000 0.000 0.336 174 Y C 0.152 176.070 175.900 0.030 0.000 1.036 174 Y CA -0.685 57.430 58.100 0.024 0.000 1.125 174 Y CB 1.946 40.424 38.460 0.031 0.000 1.194 174 Y HN 0.381 nan 8.280 nan 0.000 0.469 175 V N 2.844 122.848 119.914 0.150 0.000 2.540 175 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 175 V C -0.883 175.286 176.094 0.125 0.000 1.035 175 V CA -1.115 61.252 62.300 0.113 0.000 0.873 175 V CB 1.589 33.452 31.823 0.067 0.000 0.992 175 V HN 0.845 nan 8.190 nan 0.000 0.428 176 D N 3.910 124.382 120.400 0.119 0.000 4.693 176 D HA -0.176 4.464 4.640 -0.000 0.000 0.242 176 D C 0.374 176.741 176.300 0.112 0.000 1.084 176 D CA 1.099 55.167 54.000 0.113 0.000 1.227 176 D CB -0.679 40.183 40.800 0.104 0.000 0.779 176 D HN 1.016 nan 8.370 nan 0.000 0.380 177 D N 2.793 123.257 120.400 0.106 0.000 2.755 177 D HA -0.179 4.461 4.640 -0.000 0.000 0.228 177 D C 1.371 177.723 176.300 0.087 0.000 1.172 177 D CA 3.252 57.306 54.000 0.089 0.000 0.630 177 D CB -1.099 39.747 40.800 0.078 0.000 1.040 177 D HN 1.390 nan 8.370 nan 0.000 0.418 178 G N -1.655 107.215 108.800 0.116 0.000 2.189 178 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.267 178 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.267 178 G C 1.172 176.182 174.900 0.184 0.000 0.975 178 G CA 0.557 45.742 45.100 0.141 0.000 0.644 178 G HN 0.549 nan 8.290 nan 0.000 0.537 179 L N -0.580 120.725 121.223 0.138 0.000 2.201 179 L HA 0.249 4.589 4.340 -0.000 0.000 0.212 179 L C 1.473 178.412 176.870 0.115 0.000 1.105 179 L CA 0.842 55.751 54.840 0.115 0.000 0.775 179 L CB -0.081 42.035 42.059 0.095 0.000 0.913 179 L HN 0.308 nan 8.230 nan 0.000 0.440 180 I N -0.090 120.554 120.570 0.124 0.000 2.406 180 I HA 0.193 4.363 4.170 -0.000 0.000 0.290 180 I C -0.156 175.978 176.117 0.029 0.000 0.999 180 I CA -0.286 61.053 61.300 0.066 0.000 1.124 180 I CB 1.808 39.834 38.000 0.044 0.000 1.289 180 I HN 0.003 nan 8.210 nan 0.000 0.441 181 S N 7.355 123.015 115.700 -0.066 0.000 2.513 181 S HA 0.831 5.301 4.470 -0.000 0.000 0.299 181 S C -0.894 173.568 174.600 -0.231 0.000 1.087 181 S CA -0.810 57.211 58.200 -0.298 0.000 1.012 181 S CB 1.910 64.842 63.200 -0.446 0.000 1.044 181 S HN 0.464 nan 8.310 nan 0.000 0.485 182 L N 1.732 122.785 121.223 -0.282 0.000 2.370 182 L HA 0.628 4.968 4.340 -0.000 0.000 0.266 182 L C -0.353 176.408 176.870 -0.182 0.000 1.002 182 L CA -0.683 54.053 54.840 -0.174 0.000 0.818 182 L CB 2.157 44.142 42.059 -0.124 0.000 1.325 182 L HN 0.732 nan 8.230 nan 0.000 0.418 183 Q N 1.262 120.992 119.800 -0.116 0.000 2.330 183 Q HA 0.428 4.768 4.340 -0.000 0.000 0.269 183 Q C -1.391 174.571 176.000 -0.063 0.000 1.022 183 Q CA -0.705 55.043 55.803 -0.092 0.000 0.796 183 Q CB 2.598 31.292 28.738 -0.073 0.000 1.271 183 Q HN 0.465 nan 8.270 nan 0.000 0.450 184 V N 5.553 125.432 119.914 -0.058 0.000 2.450 184 V HA -0.000 4.120 4.120 -0.000 0.000 0.281 184 V C 0.821 176.894 176.094 -0.035 0.000 1.019 184 V CA 0.417 62.689 62.300 -0.046 0.000 1.062 184 V CB 0.756 32.548 31.823 -0.051 0.000 0.979 184 V HN 0.771 nan 8.190 nan 0.000 0.477 185 K N 3.208 123.594 120.400 -0.024 0.000 2.276 185 K HA 0.199 4.519 4.320 -0.000 0.000 0.198 185 K C 0.575 177.168 176.600 -0.011 0.000 1.052 185 K CA 0.507 56.785 56.287 -0.016 0.000 0.984 185 K CB 0.603 33.098 32.500 -0.009 0.000 0.836 185 K HN 0.724 nan 8.250 nan 0.000 0.490 186 Q N 0.259 120.056 119.800 -0.005 0.000 2.377 186 Q HA 0.295 4.635 4.340 -0.000 0.000 0.279 186 Q C -1.546 174.420 176.000 -0.056 0.000 1.049 186 Q CA -0.520 55.279 55.803 -0.007 0.000 0.825 186 Q CB 2.250 31.016 28.738 0.047 0.000 1.401 186 Q HN -0.159 nan 8.270 nan 0.000 0.404 187 K N 0.483 120.809 120.400 -0.123 0.000 2.208 187 K HA 0.839 5.159 4.320 -0.000 0.000 0.247 187 K C -0.661 175.667 176.600 -0.453 0.000 0.953 187 K CA -0.628 55.507 56.287 -0.253 0.000 0.837 187 K CB 2.013 34.398 32.500 -0.191 0.000 1.131 187 K HN 0.744 nan 8.250 nan 0.000 0.431 188 G N 0.883 109.205 108.800 -0.797 0.000 2.682 188 G HA2 0.319 4.278 3.960 -0.000 0.000 0.290 188 G HA3 0.319 4.278 3.960 -0.000 0.000 0.290 188 G C -2.480 171.997 174.900 -0.704 0.000 1.425 188 G CA -1.037 43.381 45.100 -1.137 0.000 0.807 188 G HN 0.270 nan 8.290 nan 0.000 0.482 189 P HA -0.014 nan 4.420 nan 0.000 0.213 189 P C 0.588 177.801 177.300 -0.144 0.000 1.170 189 P CA 1.833 64.829 63.100 -0.172 0.000 0.902 189 P CB 0.238 31.922 31.700 -0.028 0.000 0.789 190 D N -1.959 118.413 120.400 -0.047 0.000 2.650 190 D HA 0.151 4.791 4.640 -0.000 0.000 0.265 190 D C -0.066 176.311 176.300 0.128 0.000 1.339 190 D CA -0.493 53.525 54.000 0.031 0.000 0.816 190 D CB -0.555 40.308 40.800 0.105 0.000 1.091 190 D HN 0.253 nan 8.370 nan 0.000 0.483 191 F N -1.106 118.809 119.950 -0.058 0.000 2.686 191 F HA 0.704 5.231 4.527 -0.000 0.000 0.311 191 F C -2.244 173.514 175.800 -0.070 0.000 1.128 191 F CA -1.432 56.530 58.000 -0.064 0.000 0.946 191 F CB 1.232 40.202 39.000 -0.051 0.000 1.336 191 F HN -0.255 nan 8.300 nan 0.000 0.457 192 L N 2.498 123.807 121.223 0.144 0.000 2.408 192 L HA 0.715 5.055 4.340 -0.000 0.000 0.268 192 L C -1.088 175.879 176.870 0.162 0.000 0.986 192 L CA -1.376 53.502 54.840 0.063 0.000 0.820 192 L CB 2.055 44.094 42.059 -0.032 0.000 1.303 192 L HN 0.582 nan 8.230 nan 0.000 0.411 193 V N 1.091 121.094 119.914 0.149 0.000 2.406 193 V HA 0.505 4.625 4.120 -0.000 0.000 0.272 193 V C 0.491 176.599 176.094 0.023 0.000 1.043 193 V CA -0.283 62.069 62.300 0.085 0.000 0.915 193 V CB 1.222 33.099 31.823 0.090 0.000 0.988 193 V HN 0.926 nan 8.190 nan 0.000 0.466 194 T N 1.233 115.788 114.554 0.001 0.000 2.924 194 T HA 0.658 5.008 4.350 -0.000 0.000 0.291 194 T C -0.696 173.987 174.700 -0.028 0.000 1.045 194 T CA -0.788 61.298 62.100 -0.023 0.000 1.015 194 T CB 2.370 71.215 68.868 -0.038 0.000 1.103 194 T HN 0.677 nan 8.240 nan 0.000 0.496 195 E N 0.951 121.129 120.200 -0.037 0.000 2.191 195 E HA 0.511 4.861 4.350 -0.000 0.000 0.274 195 E C -0.976 175.593 176.600 -0.052 0.000 0.948 195 E CA -0.976 55.400 56.400 -0.039 0.000 0.802 195 E CB 1.711 31.391 29.700 -0.034 0.000 1.137 195 E HN 0.544 nan 8.360 nan 0.000 0.397 196 V N 4.948 124.832 119.914 -0.049 0.000 2.427 196 V HA 0.002 4.122 4.120 -0.000 0.000 0.268 196 V C 1.190 177.250 176.094 -0.056 0.000 1.046 196 V CA 0.353 62.618 62.300 -0.057 0.000 0.970 196 V CB 0.960 32.751 31.823 -0.054 0.000 1.001 196 V HN 0.834 nan 8.190 nan 0.000 0.476 197 E N 3.936 124.096 120.200 -0.068 0.000 2.045 197 E HA 0.025 4.375 4.350 -0.000 0.000 0.190 197 E C 0.157 176.734 176.600 -0.039 0.000 0.968 197 E CA 0.481 56.848 56.400 -0.056 0.000 0.813 197 E CB 0.383 30.037 29.700 -0.077 0.000 0.780 197 E HN 0.672 nan 8.360 nan 0.000 0.455 198 N N 0.390 119.066 118.700 -0.040 0.000 2.407 198 N HA 0.269 5.009 4.740 -0.000 0.000 0.277 198 N C -0.276 175.216 175.510 -0.030 0.000 0.995 198 N CA -0.132 52.908 53.050 -0.016 0.000 0.903 198 N CB 1.731 40.230 38.487 0.021 0.000 1.218 198 N HN 0.106 nan 8.380 nan 0.000 0.487 199 G N -0.142 108.632 108.800 -0.044 0.000 2.588 199 G HA2 0.652 4.612 3.960 -0.000 0.000 0.278 199 G HA3 0.652 4.612 3.960 -0.000 0.000 0.278 199 G C 0.072 174.924 174.900 -0.079 0.000 1.307 199 G CA -0.070 44.983 45.100 -0.078 0.000 1.016 199 G HN 0.670 nan 8.290 nan 0.000 0.503 200 G N -2.415 106.292 108.800 -0.155 0.000 2.339 200 G HA2 0.401 4.360 3.960 -0.000 0.000 0.302 200 G HA3 0.401 4.360 3.960 -0.000 0.000 0.302 200 G C -1.353 173.412 174.900 -0.226 0.000 1.425 200 G CA -1.072 43.945 45.100 -0.138 0.000 0.899 200 G HN 0.469 nan 8.290 nan 0.000 0.619 201 F N -0.084 119.883 119.950 0.028 0.000 2.410 201 F HA 0.613 5.140 4.527 -0.000 0.000 0.348 201 F C 0.567 176.387 175.800 0.033 0.000 1.106 201 F CA -0.519 57.497 58.000 0.028 0.000 1.163 201 F CB 1.732 40.748 39.000 0.025 0.000 1.129 201 F HN 0.374 nan 8.300 nan 0.000 0.516 202 L N 3.712 125.054 121.223 0.198 0.000 2.282 202 L HA 0.737 5.077 4.340 -0.000 0.000 0.288 202 L C 0.138 177.087 176.870 0.131 0.000 1.033 202 L CA 0.107 55.028 54.840 0.135 0.000 0.807 202 L CB 0.841 42.956 42.059 0.092 0.000 1.209 202 L HN 0.640 nan 8.230 nan 0.000 0.423 203 G N 2.548 111.415 108.800 0.112 0.000 2.641 203 G HA2 0.523 4.483 3.960 -0.000 0.000 0.239 203 G HA3 0.523 4.483 3.960 -0.000 0.000 0.239 203 G C -0.895 174.058 174.900 0.089 0.000 1.402 203 G CA -0.554 44.600 45.100 0.089 0.000 1.046 203 G HN 0.594 nan 8.290 nan 0.000 0.565 204 S N -0.253 115.494 115.700 0.079 0.000 2.593 204 S HA 0.456 4.926 4.470 -0.000 0.000 0.297 204 S C -0.118 174.544 174.600 0.104 0.000 1.112 204 S CA -0.591 57.662 58.200 0.089 0.000 1.043 204 S CB 1.337 64.576 63.200 0.066 0.000 1.054 204 S HN 0.502 nan 8.310 nan 0.000 0.516 205 K N 1.132 121.612 120.400 0.133 0.000 3.278 205 K HA -0.140 4.180 4.320 -0.000 0.000 0.270 205 K C -0.740 175.954 176.600 0.156 0.000 0.955 205 K CA 0.648 57.030 56.287 0.158 0.000 0.723 205 K CB -0.879 31.715 32.500 0.156 0.000 1.382 205 K HN 0.371 nan 8.250 nan 0.000 0.461 206 K N -0.065 120.418 120.400 0.139 0.000 2.098 206 K HA 0.307 4.627 4.320 -0.000 0.000 0.261 206 K C 0.895 177.570 176.600 0.125 0.000 0.987 206 K CA -0.232 56.132 56.287 0.129 0.000 0.916 206 K CB 0.887 33.455 32.500 0.113 0.000 1.039 206 K HN 0.317 nan 8.250 nan 0.000 0.455 207 G N 0.403 109.279 108.800 0.127 0.000 2.398 207 G HA2 0.329 4.289 3.960 -0.000 0.000 0.246 207 G HA3 0.329 4.289 3.960 -0.000 0.000 0.246 207 G C -0.489 174.472 174.900 0.102 0.000 1.289 207 G CA -0.381 44.789 45.100 0.117 0.000 0.869 207 G HN 0.208 nan 8.290 nan 0.000 0.543 208 V N 3.526 123.485 119.914 0.075 0.000 2.513 208 V HA 0.383 4.503 4.120 -0.000 0.000 0.299 208 V C -0.220 175.911 176.094 0.061 0.000 1.035 208 V CA -1.113 61.229 62.300 0.070 0.000 0.889 208 V CB 1.712 33.559 31.823 0.040 0.000 0.988 208 V HN 0.736 nan 8.190 nan 0.000 0.440 209 N N 4.390 123.157 118.700 0.112 0.000 2.342 209 N HA 0.560 5.300 4.740 -0.000 0.000 0.293 209 N C -1.220 174.375 175.510 0.141 0.000 1.026 209 N CA -0.496 52.617 53.050 0.105 0.000 0.857 209 N CB 2.786 41.347 38.487 0.123 0.000 1.256 209 N HN 0.498 nan 8.380 nan 0.000 0.484 210 L N 3.327 124.597 121.223 0.078 0.000 2.426 210 L HA 0.346 4.686 4.340 -0.000 0.000 0.255 210 L C -1.650 175.267 176.870 0.078 0.000 1.080 210 L CA -1.496 53.399 54.840 0.091 0.000 0.960 210 L CB 1.177 43.276 42.059 0.067 0.000 1.326 210 L HN 0.252 nan 8.230 nan 0.000 0.441 211 P HA -0.087 nan 4.420 nan 0.000 0.217 211 P C 1.292 178.618 177.300 0.042 0.000 1.150 211 P CA 0.738 63.879 63.100 0.068 0.000 0.832 211 P CB 0.346 32.083 31.700 0.062 0.000 0.787 212 G N -1.294 107.536 108.800 0.050 0.000 3.678 212 G HA2 0.496 4.456 3.960 -0.000 0.000 0.287 212 G HA3 0.496 4.456 3.960 -0.000 0.000 0.287 212 G C -0.087 174.819 174.900 0.011 0.000 1.280 212 G CA 0.191 45.301 45.100 0.017 0.000 1.118 212 G HN 0.422 nan 8.290 nan 0.000 0.563 213 A N -0.519 122.311 122.820 0.017 0.000 2.498 213 A HA 0.816 5.136 4.320 -0.000 0.000 0.298 213 A C -0.202 177.392 177.584 0.016 0.000 1.075 213 A CA -0.312 51.736 52.037 0.018 0.000 0.714 213 A CB 1.493 20.514 19.000 0.034 0.000 1.299 213 A HN 0.909 nan 8.150 nan 0.000 0.407 214 A N 1.575 124.406 122.820 0.017 0.000 3.016 214 A HA 0.530 4.850 4.320 -0.000 0.000 0.303 214 A C 0.019 177.620 177.584 0.029 0.000 1.507 214 A CA -0.292 51.755 52.037 0.015 0.000 1.196 214 A CB -0.893 18.114 19.000 0.012 0.000 1.169 214 A HN 1.145 nan 8.150 nan 0.000 0.544 215 V N 2.929 122.850 119.914 0.012 0.000 2.506 215 V HA -0.061 4.059 4.120 -0.000 0.000 0.296 215 V C 1.027 177.109 176.094 -0.019 0.000 1.004 215 V CA 1.066 63.364 62.300 -0.004 0.000 1.150 215 V CB 0.118 31.838 31.823 -0.172 0.000 0.911 215 V HN 0.920 nan 8.190 nan 0.000 0.476 216 D N 3.898 124.341 120.400 0.072 0.000 2.340 216 D HA 0.054 4.693 4.640 -0.000 0.000 0.217 216 D C 0.519 176.830 176.300 0.019 0.000 1.081 216 D CA -0.266 53.764 54.000 0.050 0.000 0.842 216 D CB 0.051 40.900 40.800 0.080 0.000 0.934 216 D HN 0.459 nan 8.370 nan 0.000 0.511 217 L N 1.630 122.810 121.223 -0.072 0.000 2.506 217 L HA 0.115 4.455 4.340 -0.000 0.000 0.281 217 L C -1.540 175.291 176.870 -0.065 0.000 1.228 217 L CA -1.151 53.626 54.840 -0.105 0.000 0.850 217 L CB -0.063 41.825 42.059 -0.285 0.000 1.110 217 L HN -0.044 nan 8.230 nan 0.000 0.496 218 P HA -0.012 nan 4.420 nan 0.000 0.268 218 P C -0.055 177.235 177.300 -0.015 0.000 1.204 218 P CA -0.129 62.964 63.100 -0.012 0.000 0.768 218 P CB 1.035 32.737 31.700 0.003 0.000 0.842 219 A N 3.828 126.647 122.820 -0.001 0.000 1.933 219 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 219 A C 0.998 178.599 177.584 0.028 0.000 1.175 219 A CA 1.287 53.334 52.037 0.017 0.000 0.628 219 A CB -0.358 18.653 19.000 0.018 0.000 0.814 219 A HN 0.447 nan 8.150 nan 0.000 0.444 220 V N 1.449 121.375 119.914 0.021 0.000 2.349 220 V HA 0.342 4.462 4.120 -0.000 0.000 0.284 220 V C 0.281 176.389 176.094 0.023 0.000 1.014 220 V CA -0.241 62.074 62.300 0.025 0.000 0.826 220 V CB 1.023 32.859 31.823 0.023 0.000 1.009 220 V HN 0.554 nan 8.190 nan 0.000 0.431 221 S N 2.869 118.585 115.700 0.025 0.000 2.661 221 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 221 S C 1.046 175.665 174.600 0.032 0.000 1.225 221 S CA -0.078 58.137 58.200 0.026 0.000 0.986 221 S CB 1.430 64.645 63.200 0.026 0.000 1.008 221 S HN 0.623 nan 8.310 nan 0.000 0.565 222 E N 0.799 121.018 120.200 0.033 0.000 2.077 222 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 222 E C 1.908 178.534 176.600 0.043 0.000 0.989 222 E CA 1.617 58.038 56.400 0.035 0.000 0.800 222 E CB -0.330 29.389 29.700 0.032 0.000 0.746 222 E HN 0.719 nan 8.360 nan 0.000 0.452 223 K N 0.135 120.562 120.400 0.046 0.000 2.057 223 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 223 K C 1.354 178.001 176.600 0.078 0.000 1.049 223 K CA 1.726 58.049 56.287 0.061 0.000 0.931 223 K CB -0.148 32.390 32.500 0.062 0.000 0.714 223 K HN 0.102 nan 8.250 nan 0.000 0.440 224 D N 0.894 121.329 120.400 0.059 0.000 2.117 224 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 224 D C 1.970 178.290 176.300 0.033 0.000 0.987 224 D CA 1.038 55.065 54.000 0.044 0.000 0.829 224 D CB -0.188 40.633 40.800 0.035 0.000 0.961 224 D HN 0.292 nan 8.370 nan 0.000 0.460 225 I N 0.809 121.403 120.570 0.040 0.000 2.127 225 I HA -0.339 3.831 4.170 -0.000 0.000 0.241 225 I C 2.503 178.657 176.117 0.063 0.000 1.075 225 I CA 1.282 62.606 61.300 0.040 0.000 1.334 225 I CB -0.272 37.752 38.000 0.039 0.000 1.040 225 I HN -0.017 nan 8.210 nan 0.000 0.405 226 Q N 0.619 120.475 119.800 0.092 0.000 2.045 226 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 226 Q C 1.935 178.070 176.000 0.224 0.000 0.991 226 Q CA 2.135 58.036 55.803 0.163 0.000 0.851 226 Q CB -0.250 28.577 28.738 0.149 0.000 0.911 226 Q HN 0.479 nan 8.270 nan 0.000 0.418 227 D N 0.356 120.865 120.400 0.181 0.000 2.158 227 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 227 D C 1.931 178.156 176.300 -0.125 0.000 0.995 227 D CA 1.069 55.074 54.000 0.009 0.000 0.846 227 D CB -0.195 40.544 40.800 -0.102 0.000 0.941 227 D HN 0.235 nan 8.370 nan 0.000 0.456 228 L N 0.191 121.373 121.223 -0.069 0.000 2.005 228 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 228 L C 2.393 179.240 176.870 -0.038 0.000 1.072 228 L CA 0.980 55.769 54.840 -0.084 0.000 0.744 228 L CB -0.243 41.786 42.059 -0.050 0.000 0.895 228 L HN -0.127 nan 8.230 nan 0.000 0.433 229 K N -0.198 120.217 120.400 0.024 0.000 2.089 229 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 229 K C 1.881 178.518 176.600 0.062 0.000 1.048 229 K CA 1.728 58.045 56.287 0.049 0.000 0.926 229 K CB -0.584 31.969 32.500 0.088 0.000 0.714 229 K HN 0.127 nan 8.250 nan 0.000 0.448 230 F N 0.309 120.213 119.950 -0.076 0.000 2.134 230 F HA -0.067 4.459 4.527 -0.000 0.000 0.299 230 F C 1.980 177.683 175.800 -0.161 0.000 1.097 230 F CA 1.811 59.732 58.000 -0.132 0.000 1.264 230 F CB -0.750 38.041 39.000 -0.348 0.000 1.001 230 F HN 0.082 nan 8.300 nan 0.000 0.479 231 G N 0.101 108.790 108.800 -0.184 0.000 2.446 231 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 231 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 231 G C 1.763 176.531 174.900 -0.220 0.000 1.168 231 G CA 1.363 46.306 45.100 -0.260 0.000 0.771 231 G HN 0.344 nan 8.290 nan 0.000 0.551 232 V N 0.796 120.622 119.914 -0.147 0.000 2.261 232 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 232 V C 2.830 178.847 176.094 -0.128 0.000 1.047 232 V CA 2.054 64.290 62.300 -0.107 0.000 1.015 232 V CB -0.376 31.412 31.823 -0.059 0.000 0.642 232 V HN 0.299 nan 8.190 nan 0.000 0.446 233 E N -0.088 120.021 120.200 -0.152 0.000 2.110 233 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 233 E C 2.144 178.603 176.600 -0.235 0.000 0.988 233 E CA 0.918 57.223 56.400 -0.158 0.000 0.804 233 E CB -0.294 29.336 29.700 -0.116 0.000 0.745 233 E HN 0.591 nan 8.360 nan 0.000 0.458 234 Q N 0.574 120.142 119.800 -0.386 0.000 2.415 234 Q HA -0.035 4.305 4.340 -0.000 0.000 0.206 234 Q C -0.265 175.615 176.000 -0.199 0.000 0.946 234 Q CA 0.188 55.776 55.803 -0.358 0.000 0.951 234 Q CB 0.091 28.487 28.738 -0.570 0.000 1.026 234 Q HN 0.160 nan 8.270 nan 0.000 0.510 235 D N 0.276 120.581 120.400 -0.158 0.000 2.723 235 D HA -0.144 4.495 4.640 -0.000 0.000 0.236 235 D C -0.225 176.026 176.300 -0.082 0.000 1.138 235 D CA 0.545 54.488 54.000 -0.095 0.000 0.676 235 D CB -1.344 39.417 40.800 -0.065 0.000 1.069 235 D HN 0.186 nan 8.370 nan 0.000 0.430 236 V N -2.487 117.360 119.914 -0.112 0.000 2.872 236 V HA 0.159 4.279 4.120 -0.000 0.000 0.307 236 V C 1.430 177.483 176.094 -0.067 0.000 1.072 236 V CA 0.452 62.692 62.300 -0.099 0.000 1.148 236 V CB 1.144 32.880 31.823 -0.144 0.000 0.954 236 V HN 0.046 nan 8.190 nan 0.000 0.490 237 D N 3.209 123.579 120.400 -0.049 0.000 2.271 237 D HA 0.152 4.792 4.640 -0.000 0.000 0.206 237 D C 0.667 176.953 176.300 -0.023 0.000 0.967 237 D CA 1.579 55.571 54.000 -0.013 0.000 0.867 237 D CB 0.398 41.212 40.800 0.024 0.000 0.960 237 D HN 0.851 nan 8.370 nan 0.000 0.509 238 M N -1.591 117.960 119.600 -0.082 0.000 2.603 238 M HA 0.484 4.964 4.480 -0.000 0.000 0.275 238 M C -1.859 174.322 176.300 -0.198 0.000 1.226 238 M CA -0.911 54.338 55.300 -0.085 0.000 0.870 238 M CB 2.967 35.559 32.600 -0.014 0.000 1.716 238 M HN -0.426 nan 8.290 nan 0.000 0.482 239 V N 2.571 122.416 119.914 -0.116 0.000 2.483 239 V HA 0.509 4.629 4.120 -0.000 0.000 0.297 239 V C -1.290 174.837 176.094 0.055 0.000 1.027 239 V CA -0.392 61.824 62.300 -0.141 0.000 0.855 239 V CB 1.759 33.530 31.823 -0.087 0.000 0.995 239 V HN 0.673 nan 8.190 nan 0.000 0.424 240 F N 3.804 123.731 119.950 -0.039 0.000 2.404 240 F HA 0.605 5.132 4.527 -0.000 0.000 0.359 240 F C 0.793 176.565 175.800 -0.047 0.000 1.134 240 F CA -1.424 56.552 58.000 -0.041 0.000 1.160 240 F CB 0.552 39.534 39.000 -0.030 0.000 1.186 240 F HN 0.499 nan 8.300 nan 0.000 0.526 241 A N 2.926 125.824 122.820 0.129 0.000 2.260 241 A HA 0.566 4.886 4.320 -0.000 0.000 0.312 241 A C 0.326 177.920 177.584 0.017 0.000 1.321 241 A CA -0.445 51.623 52.037 0.051 0.000 0.928 241 A CB 0.063 19.079 19.000 0.026 0.000 1.158 241 A HN 0.596 nan 8.150 nan 0.000 0.542 242 S N 1.273 116.980 115.700 0.012 0.000 2.580 242 S HA 0.453 4.923 4.470 -0.000 0.000 0.274 242 S C -0.027 174.580 174.600 0.011 0.000 1.329 242 S CA -0.100 58.046 58.200 -0.091 0.000 1.036 242 S CB -0.245 62.910 63.200 -0.075 0.000 0.919 242 S HN 0.801 nan 8.310 nan 0.000 0.515 243 F N -0.597 119.354 119.950 0.002 0.000 3.093 243 F HA -0.159 4.368 4.527 -0.000 0.000 0.287 243 F C 0.167 175.957 175.800 -0.016 0.000 0.882 243 F CA -0.294 57.701 58.000 -0.009 0.000 1.063 243 F CB -1.739 37.250 39.000 -0.018 0.000 1.097 243 F HN 0.364 nan 8.300 nan 0.000 0.604 244 I N 0.998 121.612 120.570 0.073 0.000 2.662 244 I HA -0.035 4.135 4.170 -0.000 0.000 0.285 244 I C 1.540 177.677 176.117 0.032 0.000 1.161 244 I CA 0.645 61.962 61.300 0.029 0.000 1.415 244 I CB 0.671 38.655 38.000 -0.026 0.000 1.385 244 I HN 0.325 nan 8.210 nan 0.000 0.552 245 R N 5.162 125.677 120.500 0.025 0.000 2.225 245 R HA 0.164 4.504 4.340 -0.000 0.000 0.194 245 R C -0.051 176.243 176.300 -0.010 0.000 0.957 245 R CA 0.346 56.461 56.100 0.025 0.000 1.042 245 R CB 0.516 30.837 30.300 0.035 0.000 1.004 245 R HN 0.636 nan 8.270 nan 0.000 0.509 246 K N -2.206 118.167 120.400 -0.044 0.000 2.607 246 K HA 0.455 4.775 4.320 -0.000 0.000 0.287 246 K C -0.126 176.392 176.600 -0.136 0.000 0.996 246 K CA -0.245 55.999 56.287 -0.071 0.000 0.876 246 K CB 1.237 33.712 32.500 -0.042 0.000 1.496 246 K HN -0.149 nan 8.250 nan 0.000 0.415 247 A N 1.184 123.895 122.820 -0.180 0.000 1.908 247 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 247 A C 2.259 179.541 177.584 -0.503 0.000 1.181 247 A CA 2.522 54.346 52.037 -0.354 0.000 0.627 247 A CB -1.122 17.700 19.000 -0.297 0.000 0.818 247 A HN 0.884 nan 8.150 nan 0.000 0.445 248 A N 0.030 122.714 122.820 -0.226 0.000 1.948 248 A HA -0.242 4.077 4.320 -0.000 0.000 0.220 248 A C 1.721 179.260 177.584 -0.075 0.000 1.177 248 A CA 2.110 54.099 52.037 -0.080 0.000 0.636 248 A CB -0.658 18.346 19.000 0.006 0.000 0.815 248 A HN 0.491 nan 8.150 nan 0.000 0.449 249 D N -0.381 119.963 120.400 -0.092 0.000 2.117 249 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 249 D C 2.012 178.269 176.300 -0.071 0.000 0.987 249 D CA 1.406 55.373 54.000 -0.055 0.000 0.829 249 D CB -0.459 40.317 40.800 -0.039 0.000 0.961 249 D HN 0.232 nan 8.370 nan 0.000 0.460 250 V N 0.507 120.325 119.914 -0.161 0.000 2.407 250 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 250 V C 1.927 177.992 176.094 -0.048 0.000 1.055 250 V CA 1.725 63.938 62.300 -0.145 0.000 1.049 250 V CB -0.640 31.037 31.823 -0.243 0.000 0.662 250 V HN 0.367 nan 8.190 nan 0.000 0.455 251 H N -0.378 118.684 119.070 -0.013 0.000 2.428 251 H HA -0.076 4.480 4.556 -0.000 0.000 0.296 251 H C 2.394 177.719 175.328 -0.005 0.000 1.062 251 H CA 1.217 57.259 56.048 -0.010 0.000 1.350 251 H CB 0.214 29.970 29.762 -0.010 0.000 1.403 251 H HN 0.515 nan 8.280 nan 0.000 0.533 252 E N 0.525 120.788 120.200 0.105 0.000 2.047 252 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 252 E C 2.401 179.027 176.600 0.043 0.000 0.987 252 E CA 1.173 57.609 56.400 0.061 0.000 0.799 252 E CB 0.013 29.737 29.700 0.040 0.000 0.752 252 E HN 0.201 nan 8.360 nan 0.000 0.449 253 V N 1.457 121.390 119.914 0.032 0.000 2.282 253 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 253 V C 2.442 178.550 176.094 0.023 0.000 1.057 253 V CA 2.185 64.496 62.300 0.019 0.000 1.032 253 V CB -0.536 31.293 31.823 0.009 0.000 0.645 253 V HN 0.146 nan 8.190 nan 0.000 0.447 254 R N 0.665 121.190 120.500 0.043 0.000 2.081 254 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 254 R C 2.303 178.622 176.300 0.032 0.000 1.131 254 R CA 2.086 58.213 56.100 0.044 0.000 0.960 254 R CB -0.496 29.851 30.300 0.079 0.000 0.856 254 R HN 0.527 nan 8.270 nan 0.000 0.436 255 K N -0.386 120.036 120.400 0.037 0.000 2.097 255 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 255 K C 1.700 178.311 176.600 0.018 0.000 1.050 255 K CA 1.228 57.529 56.287 0.024 0.000 0.938 255 K CB 0.011 32.528 32.500 0.028 0.000 0.718 255 K HN 0.117 nan 8.250 nan 0.000 0.442 256 I N 1.437 122.018 120.570 0.019 0.000 2.286 256 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 256 I C 2.098 178.219 176.117 0.007 0.000 1.104 256 I CA 1.215 62.523 61.300 0.014 0.000 1.397 256 I CB -0.945 37.063 38.000 0.014 0.000 1.072 256 I HN 0.241 nan 8.210 nan 0.000 0.417 257 L N 0.227 121.451 121.223 0.002 0.000 2.191 257 L HA -0.058 4.281 4.340 -0.000 0.000 0.212 257 L C 1.551 178.420 176.870 -0.002 0.000 1.103 257 L CA 0.852 55.688 54.840 -0.006 0.000 0.769 257 L CB -1.032 41.022 42.059 -0.009 0.000 0.908 257 L HN 0.486 nan 8.230 nan 0.000 0.438 258 G N 0.442 109.244 108.800 0.004 0.000 2.641 258 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.254 258 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.254 258 G C 0.522 175.424 174.900 0.002 0.000 1.315 258 G CA 0.585 45.687 45.100 0.004 0.000 0.907 258 G HN 0.344 nan 8.290 nan 0.000 0.572 259 E N -0.065 120.136 120.200 0.002 0.000 2.077 259 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 259 E C 2.353 178.953 176.600 0.000 0.000 0.989 259 E CA 2.158 58.559 56.400 0.001 0.000 0.800 259 E CB -0.218 29.483 29.700 0.001 0.000 0.746 259 E HN 0.571 nan 8.360 nan 0.000 0.452 260 K N -0.971 119.427 120.400 -0.002 0.000 2.211 260 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 260 K C 1.252 177.846 176.600 -0.010 0.000 1.050 260 K CA 1.173 57.456 56.287 -0.006 0.000 0.945 260 K CB -0.159 32.336 32.500 -0.008 0.000 0.732 260 K HN 0.230 nan 8.250 nan 0.000 0.451 261 G N 1.200 109.994 108.800 -0.010 0.000 3.707 261 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.286 261 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.286 261 G C 0.715 175.613 174.900 -0.003 0.000 1.112 261 G CA -0.407 44.685 45.100 -0.013 0.000 0.861 261 G HN 0.326 nan 8.290 nan 0.000 0.534 262 K N -0.392 120.010 120.400 0.003 0.000 2.217 262 K HA 0.029 4.349 4.320 -0.000 0.000 0.202 262 K C 1.238 177.850 176.600 0.019 0.000 1.051 262 K CA 0.711 57.004 56.287 0.011 0.000 0.952 262 K CB 0.001 32.508 32.500 0.010 0.000 0.736 262 K HN 0.041 nan 8.250 nan 0.000 0.453 263 N N 0.946 119.658 118.700 0.020 0.000 2.398 263 N HA 0.113 4.853 4.740 -0.000 0.000 0.188 263 N C 0.090 175.619 175.510 0.031 0.000 1.122 263 N CA 0.262 53.331 53.050 0.032 0.000 0.866 263 N CB 0.226 38.733 38.487 0.034 0.000 0.970 263 N HN 0.244 nan 8.380 nan 0.000 0.462 264 I N 2.067 122.646 120.570 0.015 0.000 2.471 264 I HA -0.002 4.167 4.170 -0.000 0.000 0.286 264 I C 0.435 176.563 176.117 0.017 0.000 1.079 264 I CA -0.252 61.052 61.300 0.006 0.000 1.398 264 I CB 0.552 38.540 38.000 -0.020 0.000 1.403 264 I HN -0.337 nan 8.210 nan 0.000 0.530 265 K N 7.354 127.770 120.400 0.028 0.000 2.270 265 K HA 0.459 4.779 4.320 -0.000 0.000 0.276 265 K C -0.382 176.238 176.600 0.034 0.000 1.023 265 K CA -0.193 56.117 56.287 0.039 0.000 0.955 265 K CB 1.063 33.596 32.500 0.055 0.000 0.975 265 K HN 0.492 nan 8.250 nan 0.000 0.471 266 I N 4.361 124.951 120.570 0.033 0.000 2.355 266 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 266 I C -0.167 175.974 176.117 0.040 0.000 0.999 266 I CA -0.729 60.592 61.300 0.035 0.000 1.163 266 I CB 1.115 39.126 38.000 0.017 0.000 1.316 266 I HN 0.175 nan 8.210 nan 0.000 0.454 267 I N 5.054 125.682 120.570 0.097 0.000 2.330 267 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 267 I C 0.309 176.445 176.117 0.031 0.000 1.025 267 I CA -0.160 61.182 61.300 0.070 0.000 1.197 267 I CB 1.152 39.244 38.000 0.154 0.000 1.358 267 I HN 0.468 nan 8.210 nan 0.000 0.467 268 S N 6.240 121.919 115.700 -0.035 0.000 2.548 268 S HA 0.281 4.751 4.470 -0.000 0.000 0.277 268 S C 0.265 174.828 174.600 -0.062 0.000 1.315 268 S CA -0.538 57.632 58.200 -0.051 0.000 1.050 268 S CB 0.868 64.012 63.200 -0.093 0.000 0.918 268 S HN 0.387 nan 8.310 nan 0.000 0.497 269 K N 2.849 123.209 120.400 -0.067 0.000 2.264 269 K HA 0.336 4.655 4.320 -0.000 0.000 0.277 269 K C -0.750 175.796 176.600 -0.090 0.000 1.067 269 K CA -0.478 55.745 56.287 -0.107 0.000 0.900 269 K CB 0.546 32.954 32.500 -0.154 0.000 1.124 269 K HN 0.396 nan 8.250 nan 0.000 0.469 270 I N 4.162 124.706 120.570 -0.043 0.000 2.352 270 I HA 0.054 4.224 4.170 -0.000 0.000 0.290 270 I C 0.896 176.982 176.117 -0.052 0.000 1.036 270 I CA 0.187 61.487 61.300 -0.000 0.000 1.336 270 I CB 0.516 38.580 38.000 0.107 0.000 1.407 270 I HN 0.795 nan 8.210 nan 0.000 0.497 271 E N 4.186 124.359 120.200 -0.044 0.000 2.798 271 E HA 0.133 4.483 4.350 -0.000 0.000 0.170 271 E C -0.818 175.822 176.600 0.067 0.000 0.912 271 E CA -0.522 55.847 56.400 -0.051 0.000 1.349 271 E CB 0.041 29.618 29.700 -0.205 0.000 1.023 271 E HN 0.654 nan 8.360 nan 0.000 0.475 272 N N -0.772 117.983 118.700 0.090 0.000 2.732 272 N HA 0.143 4.883 4.740 -0.000 0.000 0.259 272 N C 0.310 175.875 175.510 0.090 0.000 1.402 272 N CA -0.807 52.320 53.050 0.127 0.000 0.829 272 N CB 0.574 39.173 38.487 0.187 0.000 1.495 272 N HN -0.080 nan 8.380 nan 0.000 0.511 273 H N -0.092 118.997 119.070 0.031 0.000 2.319 273 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 273 H C 0.909 176.250 175.328 0.023 0.000 1.097 273 H CA 2.312 58.368 56.048 0.014 0.000 1.285 273 H CB 0.315 30.081 29.762 0.006 0.000 1.368 273 H HN 0.809 nan 8.280 nan 0.000 0.495 274 E N -0.488 119.812 120.200 0.167 0.000 2.110 274 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 274 E C 2.344 178.978 176.600 0.058 0.000 0.988 274 E CA 0.743 57.210 56.400 0.111 0.000 0.804 274 E CB -0.214 29.540 29.700 0.090 0.000 0.745 274 E HN 0.590 nan 8.360 nan 0.000 0.458 275 G N 0.317 109.150 108.800 0.056 0.000 2.422 275 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 275 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 275 G C 1.617 176.562 174.900 0.076 0.000 1.146 275 G CA 0.948 46.080 45.100 0.053 0.000 0.769 275 G HN 0.194 nan 8.290 nan 0.000 0.547 276 V N 0.469 120.384 119.914 0.001 0.000 2.323 276 V HA -0.113 4.007 4.120 -0.000 0.000 0.244 276 V C 2.823 178.899 176.094 -0.029 0.000 1.041 276 V CA 1.768 64.041 62.300 -0.045 0.000 1.025 276 V CB -0.559 31.135 31.823 -0.215 0.000 0.656 276 V HN 0.266 nan 8.190 nan 0.000 0.451 277 R N 0.356 120.809 120.500 -0.078 0.000 2.103 277 R HA -0.130 4.210 4.340 -0.000 0.000 0.242 277 R C 1.767 178.085 176.300 0.029 0.000 1.142 277 R CA 1.550 57.637 56.100 -0.021 0.000 0.960 277 R CB -0.217 30.109 30.300 0.042 0.000 0.858 277 R HN 0.499 nan 8.270 nan 0.000 0.439 278 R N -0.367 120.157 120.500 0.040 0.000 2.702 278 R HA 0.072 4.412 4.340 -0.000 0.000 0.314 278 R C 0.883 177.200 176.300 0.028 0.000 1.152 278 R CA -0.316 55.799 56.100 0.026 0.000 1.097 278 R CB -0.014 30.288 30.300 0.002 0.000 1.343 278 R HN 0.140 nan 8.270 nan 0.000 0.575 279 F N 2.348 122.262 119.950 -0.060 0.000 2.091 279 F HA -0.287 4.240 4.527 -0.000 0.000 0.299 279 F C 1.536 177.303 175.800 -0.055 0.000 1.103 279 F CA 1.930 59.892 58.000 -0.065 0.000 1.228 279 F CB 0.167 39.121 39.000 -0.077 0.000 0.984 279 F HN 0.054 nan 8.300 nan 0.000 0.477 280 D N 0.225 120.641 120.400 0.027 0.000 2.104 280 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 280 D C 2.188 178.407 176.300 -0.135 0.000 0.994 280 D CA 1.900 55.879 54.000 -0.034 0.000 0.830 280 D CB -0.637 40.180 40.800 0.029 0.000 0.959 280 D HN 0.688 nan 8.370 nan 0.000 0.452 281 E N 0.438 120.570 120.200 -0.113 0.000 2.150 281 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 281 E C 2.239 178.733 176.600 -0.176 0.000 0.985 281 E CA 0.599 56.933 56.400 -0.109 0.000 0.814 281 E CB -0.394 29.264 29.700 -0.071 0.000 0.752 281 E HN 0.270 nan 8.360 nan 0.000 0.466 282 I N 0.691 121.107 120.570 -0.256 0.000 2.202 282 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 282 I C 2.478 178.381 176.117 -0.358 0.000 1.091 282 I CA 0.561 61.675 61.300 -0.310 0.000 1.368 282 I CB -0.198 37.592 38.000 -0.350 0.000 1.058 282 I HN 0.153 nan 8.210 nan 0.000 0.410 283 L N 0.812 121.723 121.223 -0.522 0.000 2.017 283 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 283 L C 2.501 179.247 176.870 -0.207 0.000 1.073 283 L CA 1.930 56.506 54.840 -0.439 0.000 0.745 283 L CB -0.865 40.891 42.059 -0.506 0.000 0.894 283 L HN 0.217 nan 8.230 nan 0.000 0.432 284 E N 0.014 120.121 120.200 -0.155 0.000 2.070 284 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 284 E C 1.974 178.546 176.600 -0.045 0.000 1.004 284 E CA 1.674 58.030 56.400 -0.072 0.000 0.805 284 E CB -0.191 29.482 29.700 -0.045 0.000 0.744 284 E HN 0.597 nan 8.360 nan 0.000 0.451 285 A N 0.244 123.024 122.820 -0.067 0.000 2.119 285 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 285 A C 1.366 178.932 177.584 -0.030 0.000 1.152 285 A CA 0.469 52.496 52.037 -0.017 0.000 0.708 285 A CB 0.089 19.006 19.000 -0.137 0.000 0.805 285 A HN 0.141 nan 8.150 nan 0.000 0.460 286 S N -0.074 115.578 115.700 -0.080 0.000 2.690 286 S HA 0.334 4.804 4.470 -0.000 0.000 0.291 286 S C -0.102 174.473 174.600 -0.043 0.000 1.138 286 S CA -0.589 57.570 58.200 -0.068 0.000 1.013 286 S CB 1.158 64.289 63.200 -0.116 0.000 1.053 286 S HN 0.380 nan 8.310 nan 0.000 0.539 287 D N 0.675 121.061 120.400 -0.024 0.000 2.349 287 D HA 0.282 4.922 4.640 -0.000 0.000 0.215 287 D C 0.766 177.034 176.300 -0.054 0.000 1.016 287 D CA 0.454 54.446 54.000 -0.013 0.000 0.870 287 D CB 0.437 41.246 40.800 0.014 0.000 0.917 287 D HN 0.668 nan 8.370 nan 0.000 0.524 288 G N 0.076 108.834 108.800 -0.070 0.000 2.316 288 G HA2 0.348 4.308 3.960 -0.000 0.000 0.296 288 G HA3 0.348 4.308 3.960 -0.000 0.000 0.296 288 G C -1.875 172.974 174.900 -0.085 0.000 1.399 288 G CA -0.741 44.301 45.100 -0.097 0.000 0.833 288 G HN -0.065 nan 8.290 nan 0.000 0.565 289 I N 0.442 120.963 120.570 -0.081 0.000 2.730 289 I HA 0.574 4.744 4.170 -0.000 0.000 0.298 289 I C -0.320 175.732 176.117 -0.107 0.000 1.089 289 I CA -0.795 60.473 61.300 -0.053 0.000 1.041 289 I CB 2.119 40.169 38.000 0.082 0.000 1.235 289 I HN 0.672 nan 8.210 nan 0.000 0.423 290 M N 5.062 124.582 119.600 -0.132 0.000 2.181 290 M HA 0.417 4.896 4.480 -0.000 0.000 0.323 290 M C -1.262 174.970 176.300 -0.114 0.000 1.004 290 M CA -0.750 54.435 55.300 -0.191 0.000 0.941 290 M CB 1.631 34.033 32.600 -0.329 0.000 1.579 290 M HN 0.279 nan 8.290 nan 0.000 0.427 291 V N 5.192 125.045 119.914 -0.102 0.000 2.364 291 V HA 0.191 4.311 4.120 -0.000 0.000 0.252 291 V C 0.597 176.634 176.094 -0.096 0.000 1.075 291 V CA -0.235 62.014 62.300 -0.086 0.000 1.033 291 V CB -0.182 31.591 31.823 -0.083 0.000 1.116 291 V HN 0.848 nan 8.190 nan 0.000 0.488 292 A N 6.122 128.880 122.820 -0.103 0.000 2.923 292 A HA 0.373 4.693 4.320 -0.000 0.000 0.306 292 A C 1.375 178.910 177.584 -0.082 0.000 1.542 292 A CA -0.467 51.504 52.037 -0.111 0.000 1.225 292 A CB -0.203 18.700 19.000 -0.161 0.000 1.147 292 A HN 0.839 nan 8.150 nan 0.000 0.542 293 R N 1.614 122.081 120.500 -0.055 0.000 2.148 293 R HA -0.063 4.276 4.340 -0.000 0.000 0.223 293 R C 2.210 178.499 176.300 -0.018 0.000 1.088 293 R CA 1.027 57.107 56.100 -0.033 0.000 0.985 293 R CB -0.066 30.222 30.300 -0.020 0.000 0.880 293 R HN 0.687 nan 8.270 nan 0.000 0.451 294 G N 2.122 110.913 108.800 -0.014 0.000 2.679 294 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.217 294 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.217 294 G C 0.980 175.889 174.900 0.015 0.000 1.267 294 G CA 1.230 46.334 45.100 0.007 0.000 0.799 294 G HN 0.224 nan 8.290 nan 0.000 0.606 295 D N 0.025 120.432 120.400 0.012 0.000 2.183 295 D HA -0.051 4.589 4.640 -0.000 0.000 0.203 295 D C 2.475 178.800 176.300 0.042 0.000 0.969 295 D CA 0.426 54.464 54.000 0.063 0.000 0.842 295 D CB -0.078 40.801 40.800 0.131 0.000 0.957 295 D HN 0.163 nan 8.370 nan 0.000 0.484 296 L N 1.341 122.563 121.223 -0.001 0.000 2.042 296 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 296 L C 2.193 179.056 176.870 -0.011 0.000 1.076 296 L CA 1.849 56.684 54.840 -0.008 0.000 0.749 296 L CB -0.938 41.099 42.059 -0.035 0.000 0.893 296 L HN 0.009 nan 8.230 nan 0.000 0.432 297 G N -1.574 107.218 108.800 -0.014 0.000 2.776 297 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.209 297 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.209 297 G C 1.364 176.232 174.900 -0.054 0.000 1.145 297 G CA 0.805 45.893 45.100 -0.021 0.000 0.791 297 G HN 0.505 nan 8.290 nan 0.000 0.530 298 I N -1.029 119.504 120.570 -0.062 0.000 3.443 298 I HA 0.127 4.297 4.170 -0.000 0.000 0.277 298 I C 2.190 178.211 176.117 -0.159 0.000 1.169 298 I CA -0.000 61.210 61.300 -0.150 0.000 1.419 298 I CB 0.076 38.021 38.000 -0.091 0.000 1.331 298 I HN -0.093 nan 8.210 nan 0.000 0.458 299 E N 1.929 122.106 120.200 -0.039 0.000 2.085 299 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 299 E C 0.793 177.400 176.600 0.012 0.000 0.994 299 E CA 1.136 57.542 56.400 0.010 0.000 0.801 299 E CB -0.111 29.637 29.700 0.081 0.000 0.743 299 E HN 0.557 nan 8.360 nan 0.000 0.453 300 I N -2.511 118.064 120.570 0.009 0.000 2.797 300 I HA 0.436 4.606 4.170 -0.000 0.000 0.307 300 I C -2.611 173.494 176.117 -0.020 0.000 1.033 300 I CA -2.985 58.333 61.300 0.029 0.000 1.071 300 I CB 2.132 40.174 38.000 0.070 0.000 1.255 300 I HN -0.344 nan 8.210 nan 0.000 0.445 301 P HA -0.037 nan 4.420 nan 0.000 0.261 301 P C 0.357 177.657 177.300 -0.000 0.000 1.173 301 P CA 0.305 63.399 63.100 -0.010 0.000 0.760 301 P CB 0.805 32.512 31.700 0.011 0.000 0.783 302 A N 4.687 127.507 122.820 0.001 0.000 1.969 302 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 302 A C 1.677 179.301 177.584 0.068 0.000 1.169 302 A CA 1.218 53.267 52.037 0.021 0.000 0.635 302 A CB -0.773 18.235 19.000 0.014 0.000 0.810 302 A HN 0.640 nan 8.150 nan 0.000 0.445 303 E N 0.373 120.622 120.200 0.082 0.000 2.516 303 E HA -0.098 4.252 4.350 -0.000 0.000 0.199 303 E C 0.934 177.673 176.600 0.231 0.000 1.069 303 E CA 0.827 57.321 56.400 0.156 0.000 0.876 303 E CB -0.181 29.590 29.700 0.118 0.000 0.843 303 E HN 0.617 nan 8.360 nan 0.000 0.530 304 K N 0.346 120.796 120.400 0.083 0.000 2.355 304 K HA 0.159 4.479 4.320 -0.000 0.000 0.198 304 K C 1.731 178.227 176.600 -0.173 0.000 1.039 304 K CA 0.079 56.320 56.287 -0.076 0.000 1.075 304 K CB 0.801 33.257 32.500 -0.073 0.000 0.870 304 K HN -0.068 nan 8.250 nan 0.000 0.540 305 V N 1.844 121.750 119.914 -0.013 0.000 2.427 305 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 305 V C 2.012 178.082 176.094 -0.040 0.000 1.051 305 V CA 1.765 64.047 62.300 -0.030 0.000 1.048 305 V CB -0.611 31.225 31.823 0.021 0.000 0.666 305 V HN 0.338 nan 8.190 nan 0.000 0.456 306 F N 0.140 120.061 119.950 -0.048 0.000 2.216 306 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 306 F C 1.883 177.644 175.800 -0.066 0.000 1.085 306 F CA 1.362 59.332 58.000 -0.051 0.000 1.326 306 F CB -1.224 37.754 39.000 -0.036 0.000 1.027 306 F HN 0.085 nan 8.300 nan 0.000 0.497 307 L N 0.837 121.426 121.223 -1.058 0.000 2.017 307 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 307 L C 3.014 179.646 176.870 -0.397 0.000 1.073 307 L CA 1.311 55.682 54.840 -0.781 0.000 0.745 307 L CB -1.233 40.360 42.059 -0.778 0.000 0.894 307 L HN 0.332 nan 8.230 nan 0.000 0.432 308 A N -0.534 122.084 122.820 -0.337 0.000 1.873 308 A HA -0.276 4.044 4.320 -0.000 0.000 0.215 308 A C 2.280 179.712 177.584 -0.253 0.000 1.186 308 A CA 1.809 53.680 52.037 -0.277 0.000 0.616 308 A CB -0.677 18.186 19.000 -0.228 0.000 0.823 308 A HN 0.494 nan 8.150 nan 0.000 0.442 309 Q N -0.159 119.534 119.800 -0.178 0.000 2.077 309 Q HA -0.261 4.079 4.340 -0.000 0.000 0.206 309 Q C 2.016 177.937 176.000 -0.131 0.000 0.989 309 Q CA 2.211 57.938 55.803 -0.127 0.000 0.853 309 Q CB -0.167 28.542 28.738 -0.048 0.000 0.907 309 Q HN 0.672 nan 8.270 nan 0.000 0.418 310 K N -0.115 120.219 120.400 -0.109 0.000 2.057 310 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 310 K C 2.239 178.752 176.600 -0.144 0.000 1.050 310 K CA 1.349 57.584 56.287 -0.086 0.000 0.935 310 K CB -0.230 32.252 32.500 -0.030 0.000 0.715 310 K HN 0.308 nan 8.250 nan 0.000 0.439 311 M N 1.269 120.746 119.600 -0.205 0.000 2.065 311 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 311 M C 1.973 178.073 176.300 -0.333 0.000 1.069 311 M CA 1.821 56.972 55.300 -0.250 0.000 1.110 311 M CB -0.391 32.038 32.600 -0.285 0.000 1.328 311 M HN 0.138 nan 8.290 nan 0.000 0.405 312 I N 0.066 120.367 120.570 -0.448 0.000 2.226 312 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 312 I C 2.390 178.340 176.117 -0.277 0.000 1.100 312 I CA 1.152 62.070 61.300 -0.638 0.000 1.374 312 I CB -0.309 37.322 38.000 -0.616 0.000 1.057 312 I HN 0.286 nan 8.210 nan 0.000 0.413 313 I N 0.323 120.789 120.570 -0.174 0.000 2.252 313 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 313 I C 2.622 178.697 176.117 -0.070 0.000 1.102 313 I CA 1.466 62.713 61.300 -0.088 0.000 1.385 313 I CB -0.806 37.154 38.000 -0.067 0.000 1.064 313 I HN 0.272 nan 8.210 nan 0.000 0.414 314 G N 0.660 109.405 108.800 -0.091 0.000 2.421 314 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 314 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 314 G C 1.814 176.682 174.900 -0.054 0.000 1.171 314 G CA 0.430 45.488 45.100 -0.071 0.000 0.775 314 G HN 0.287 nan 8.290 nan 0.000 0.543 315 R N -0.768 119.698 120.500 -0.057 0.000 2.148 315 R HA 0.030 4.370 4.340 -0.000 0.000 0.223 315 R C 2.597 178.940 176.300 0.073 0.000 1.088 315 R CA 0.842 56.951 56.100 0.014 0.000 0.985 315 R CB -0.402 29.929 30.300 0.052 0.000 0.880 315 R HN 0.396 nan 8.270 nan 0.000 0.451 316 C N 0.387 119.730 119.300 0.071 0.000 2.489 316 C HA -0.002 4.458 4.460 -0.000 0.000 0.279 316 C C 2.186 177.178 174.990 0.003 0.000 1.266 316 C CA 0.445 59.500 59.018 0.062 0.000 1.707 316 C CB -1.116 26.660 27.740 0.060 0.000 2.059 316 C HN 0.571 nan 8.230 nan 0.000 0.481 317 N N 0.366 119.056 118.700 -0.017 0.000 2.060 317 N HA -0.252 4.488 4.740 -0.000 0.000 0.195 317 N C 2.002 177.473 175.510 -0.065 0.000 1.028 317 N CA 1.322 54.350 53.050 -0.037 0.000 0.861 317 N CB -0.282 38.185 38.487 -0.033 0.000 1.029 317 N HN 0.512 nan 8.380 nan 0.000 0.428 318 R N 0.719 121.188 120.500 -0.051 0.000 2.148 318 R HA -0.007 4.333 4.340 -0.000 0.000 0.227 318 R C 1.676 177.942 176.300 -0.056 0.000 1.103 318 R CA 1.149 57.212 56.100 -0.062 0.000 0.983 318 R CB 0.032 30.309 30.300 -0.037 0.000 0.874 318 R HN 0.157 nan 8.270 nan 0.000 0.451 319 A N -0.752 122.052 122.820 -0.027 0.000 2.238 319 A HA 0.259 4.579 4.320 -0.000 0.000 0.210 319 A C 1.284 178.860 177.584 -0.012 0.000 1.179 319 A CA 0.576 52.605 52.037 -0.013 0.000 0.827 319 A CB 0.156 19.161 19.000 0.008 0.000 0.856 319 A HN 0.487 nan 8.150 nan 0.000 0.488 320 G N -0.523 108.261 108.800 -0.027 0.000 2.143 320 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 320 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 320 G C 0.119 175.068 174.900 0.082 0.000 0.991 320 G CA 0.683 45.794 45.100 0.018 0.000 0.689 320 G HN 0.559 nan 8.290 nan 0.000 0.522 321 K N 0.614 121.023 120.400 0.015 0.000 2.164 321 K HA 0.507 4.827 4.320 -0.000 0.000 0.258 321 K C -2.472 174.044 176.600 -0.139 0.000 0.951 321 K CA -2.197 54.066 56.287 -0.040 0.000 0.844 321 K CB 1.761 34.241 32.500 -0.034 0.000 1.099 321 K HN -0.047 nan 8.250 nan 0.000 0.435 322 P HA 0.015 nan 4.420 nan 0.000 0.269 322 P C -1.193 175.995 177.300 -0.185 0.000 1.209 322 P CA -0.336 62.544 63.100 -0.367 0.000 0.776 322 P CB 0.753 32.105 31.700 -0.580 0.000 0.876 323 V N 4.278 124.107 119.914 -0.142 0.000 2.841 323 V HA 0.537 4.657 4.120 -0.000 0.000 0.310 323 V C -1.137 174.893 176.094 -0.108 0.000 1.090 323 V CA -0.829 61.413 62.300 -0.096 0.000 0.930 323 V CB 1.688 33.484 31.823 -0.045 0.000 1.014 323 V HN 0.284 nan 8.190 nan 0.000 0.425 324 I N 5.729 126.221 120.570 -0.129 0.000 2.406 324 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 324 I C -0.197 175.852 176.117 -0.114 0.000 0.999 324 I CA -0.420 60.795 61.300 -0.142 0.000 1.124 324 I CB 1.667 39.517 38.000 -0.249 0.000 1.289 324 I HN 0.638 nan 8.210 nan 0.000 0.441 325 C N 6.261 125.513 119.300 -0.079 0.000 2.435 325 C HA 0.851 5.311 4.460 -0.000 0.000 0.375 325 C C 0.519 175.470 174.990 -0.064 0.000 1.281 325 C CA -0.023 58.958 59.018 -0.062 0.000 1.963 325 C CB -0.469 27.250 27.740 -0.035 0.000 2.490 325 C HN 0.884 nan 8.230 nan 0.000 0.557 326 A N 4.139 126.921 122.820 -0.064 0.000 2.527 326 A HA 0.899 5.219 4.320 -0.000 0.000 0.293 326 A C -0.131 177.436 177.584 -0.029 0.000 1.117 326 A CA -0.139 51.866 52.037 -0.054 0.000 0.723 326 A CB 0.935 19.883 19.000 -0.088 0.000 1.313 326 A HN 1.424 nan 8.150 nan 0.000 0.411 327 T N 1.280 115.829 114.554 -0.009 0.000 0.758 327 T HA -0.088 4.262 4.350 -0.000 0.000 0.752 327 T C 0.030 174.738 174.700 0.013 0.000 0.988 327 T CA 1.000 63.103 62.100 0.006 0.000 3.970 327 T CB -1.511 67.356 68.868 -0.001 0.000 2.245 327 T HN 1.549 nan 8.240 nan 0.000 0.393 328 Q N -0.233 119.581 119.800 0.024 0.000 2.493 328 Q HA -0.230 4.110 4.340 -0.000 0.000 0.260 328 Q C 1.481 177.495 176.000 0.023 0.000 0.905 328 Q CA 1.394 57.214 55.803 0.027 0.000 1.140 328 Q CB -1.279 27.475 28.738 0.026 0.000 1.435 328 Q HN 0.854 nan 8.270 nan 0.000 0.581 329 M N -0.389 119.224 119.600 0.021 0.000 2.175 329 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 329 M C 1.159 177.471 176.300 0.021 0.000 1.063 329 M CA 1.547 56.858 55.300 0.018 0.000 1.119 329 M CB 0.153 32.763 32.600 0.016 0.000 1.377 329 M HN 0.258 nan 8.290 nan 0.000 0.415 330 L N -0.849 120.390 121.223 0.027 0.000 3.255 330 L HA 0.189 4.529 4.340 -0.000 0.000 0.293 330 L C 1.162 178.055 176.870 0.037 0.000 1.302 330 L CA -0.381 54.476 54.840 0.029 0.000 0.977 330 L CB 0.135 42.214 42.059 0.033 0.000 1.390 330 L HN 0.057 nan 8.230 nan 0.000 0.588 331 E N 1.581 121.802 120.200 0.035 0.000 2.136 331 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 331 E C 2.190 178.817 176.600 0.045 0.000 1.019 331 E CA 2.250 58.674 56.400 0.041 0.000 0.819 331 E CB 0.149 29.871 29.700 0.037 0.000 0.739 331 E HN 0.543 nan 8.360 nan 0.000 0.458 332 S N -0.436 115.286 115.700 0.038 0.000 2.419 332 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 332 S C 1.899 176.532 174.600 0.054 0.000 1.019 332 S CA 1.386 59.609 58.200 0.039 0.000 0.982 332 S CB -0.390 62.825 63.200 0.024 0.000 0.789 332 S HN 0.346 nan 8.310 nan 0.000 0.490 333 M N 0.643 120.277 119.600 0.058 0.000 2.686 333 M HA 0.185 4.665 4.480 -0.000 0.000 0.246 333 M C 1.422 177.820 176.300 0.163 0.000 1.096 333 M CA 0.489 55.841 55.300 0.087 0.000 1.076 333 M CB -0.607 32.032 32.600 0.064 0.000 1.504 333 M HN 0.367 nan 8.290 nan 0.000 0.524 334 I N 0.276 120.918 120.570 0.121 0.000 2.286 334 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 334 I C 2.265 178.467 176.117 0.143 0.000 1.115 334 I CA 1.339 62.705 61.300 0.110 0.000 1.392 334 I CB -0.158 37.884 38.000 0.069 0.000 1.065 334 I HN 0.274 nan 8.210 nan 0.000 0.418 335 K N -0.094 120.405 120.400 0.164 0.000 2.435 335 K HA 0.247 4.567 4.320 -0.000 0.000 0.199 335 K C 0.253 177.029 176.600 0.294 0.000 1.153 335 K CA 0.223 56.620 56.287 0.183 0.000 0.974 335 K CB 0.864 33.425 32.500 0.101 0.000 0.997 335 K HN 0.198 nan 8.250 nan 0.000 0.547 336 K N 1.362 121.876 120.400 0.190 0.000 2.267 336 K HA 0.239 4.559 4.320 -0.000 0.000 0.246 336 K C -2.165 174.224 176.600 -0.351 0.000 0.954 336 K CA -1.926 54.360 56.287 -0.001 0.000 0.824 336 K CB 2.054 34.542 32.500 -0.020 0.000 1.167 336 K HN -0.281 nan 8.250 nan 0.000 0.431 337 P HA -0.109 nan 4.420 nan 0.000 0.223 337 P C -0.357 176.721 177.300 -0.370 0.000 1.151 337 P CA 1.081 63.638 63.100 -0.906 0.000 0.787 337 P CB 0.458 31.757 31.700 -0.668 0.000 0.788 338 R N 0.086 120.455 120.500 -0.218 0.000 2.686 338 R HA 0.493 4.833 4.340 -0.000 0.000 0.283 338 R C -2.700 173.560 176.300 -0.066 0.000 0.978 338 R CA -2.475 53.558 56.100 -0.112 0.000 0.897 338 R CB 0.687 30.934 30.300 -0.088 0.000 1.192 338 R HN 0.004 nan 8.270 nan 0.000 0.457 339 P HA 0.099 nan 4.420 nan 0.000 0.276 339 P C -0.030 177.261 177.300 -0.015 0.000 1.261 339 P CA -0.250 62.841 63.100 -0.016 0.000 0.800 339 P CB 0.455 32.151 31.700 -0.005 0.000 1.066 340 T N -1.050 113.500 114.554 -0.007 0.000 2.754 340 T HA 0.203 4.553 4.350 -0.000 0.000 0.286 340 T C 1.430 176.124 174.700 -0.009 0.000 0.997 340 T CA -0.577 61.518 62.100 -0.007 0.000 0.982 340 T CB 0.417 69.284 68.868 -0.002 0.000 1.027 340 T HN 0.195 nan 8.240 nan 0.000 0.529 341 R N 0.375 120.869 120.500 -0.010 0.000 2.115 341 R HA 0.130 4.470 4.340 -0.000 0.000 0.226 341 R C 2.655 178.948 176.300 -0.012 0.000 1.100 341 R CA 1.258 57.351 56.100 -0.012 0.000 0.980 341 R CB -1.753 28.539 30.300 -0.014 0.000 0.875 341 R HN 0.828 nan 8.270 nan 0.000 0.445 342 A N 1.390 124.204 122.820 -0.010 0.000 1.902 342 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 342 A C 2.036 179.616 177.584 -0.007 0.000 1.181 342 A CA 1.381 53.411 52.037 -0.011 0.000 0.623 342 A CB -0.287 18.707 19.000 -0.010 0.000 0.818 342 A HN 0.335 nan 8.150 nan 0.000 0.443 343 E N -0.692 119.507 120.200 -0.003 0.000 2.047 343 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 343 E C 2.175 178.776 176.600 0.001 0.000 0.987 343 E CA 0.769 57.171 56.400 0.002 0.000 0.799 343 E CB -0.405 29.298 29.700 0.006 0.000 0.752 343 E HN 0.592 nan 8.360 nan 0.000 0.449 344 G N 0.723 109.521 108.800 -0.003 0.000 2.442 344 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.219 344 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.219 344 G C 1.637 176.534 174.900 -0.005 0.000 1.141 344 G CA 1.193 46.291 45.100 -0.004 0.000 0.763 344 G HN 0.340 nan 8.290 nan 0.000 0.554 345 S N 0.488 116.183 115.700 -0.008 0.000 2.368 345 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 345 S C 2.058 176.655 174.600 -0.005 0.000 1.029 345 S CA 1.948 60.143 58.200 -0.010 0.000 0.988 345 S CB -0.452 62.739 63.200 -0.016 0.000 0.838 345 S HN 0.391 nan 8.310 nan 0.000 0.462 346 D N 0.402 120.800 120.400 -0.003 0.000 2.117 346 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 346 D C 1.881 178.185 176.300 0.006 0.000 0.987 346 D CA 1.554 55.555 54.000 0.002 0.000 0.829 346 D CB -0.313 40.490 40.800 0.004 0.000 0.961 346 D HN 0.324 nan 8.370 nan 0.000 0.460 347 V N 0.683 120.601 119.914 0.007 0.000 2.343 347 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 347 V C 2.581 178.680 176.094 0.009 0.000 1.051 347 V CA 1.774 64.080 62.300 0.009 0.000 1.036 347 V CB -0.977 30.853 31.823 0.011 0.000 0.654 347 V HN 0.355 nan 8.190 nan 0.000 0.451 348 A N 0.209 123.032 122.820 0.005 0.000 1.902 348 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 348 A C 2.083 179.675 177.584 0.014 0.000 1.181 348 A CA 1.872 53.912 52.037 0.006 0.000 0.623 348 A CB -0.624 18.376 19.000 -0.001 0.000 0.818 348 A HN 0.613 nan 8.150 nan 0.000 0.443 349 N N 0.087 118.796 118.700 0.015 0.000 2.331 349 N HA -0.048 4.692 4.740 -0.000 0.000 0.180 349 N C 1.839 177.366 175.510 0.028 0.000 1.019 349 N CA 1.098 54.163 53.050 0.025 0.000 0.881 349 N CB -0.179 38.320 38.487 0.020 0.000 0.972 349 N HN 0.501 nan 8.380 nan 0.000 0.435 350 A N 0.763 123.594 122.820 0.019 0.000 1.929 350 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 350 A C 2.458 180.052 177.584 0.016 0.000 1.176 350 A CA 0.780 52.826 52.037 0.014 0.000 0.628 350 A CB -0.428 18.576 19.000 0.006 0.000 0.816 350 A HN 0.061 nan 8.150 nan 0.000 0.444 351 V N 0.350 120.276 119.914 0.019 0.000 2.307 351 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 351 V C 2.519 178.631 176.094 0.031 0.000 1.045 351 V CA 1.701 64.016 62.300 0.025 0.000 1.024 351 V CB -0.832 31.005 31.823 0.024 0.000 0.651 351 V HN 0.553 nan 8.190 nan 0.000 0.449 352 L N -0.048 121.195 121.223 0.034 0.000 2.079 352 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 352 L C 2.363 179.267 176.870 0.056 0.000 1.081 352 L CA 1.562 56.431 54.840 0.049 0.000 0.752 352 L CB -0.827 41.270 42.059 0.062 0.000 0.896 352 L HN 0.354 nan 8.230 nan 0.000 0.433 353 D N 0.014 120.439 120.400 0.042 0.000 2.144 353 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 353 D C 1.676 177.988 176.300 0.019 0.000 0.984 353 D CA 1.632 55.651 54.000 0.031 0.000 0.834 353 D CB -0.013 40.796 40.800 0.015 0.000 0.955 353 D HN 0.463 nan 8.370 nan 0.000 0.465 354 G N -0.857 107.955 108.800 0.020 0.000 2.164 354 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.154 354 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.154 354 G C 0.351 175.257 174.900 0.010 0.000 1.014 354 G CA 0.107 45.219 45.100 0.020 0.000 0.683 354 G HN 0.547 nan 8.290 nan 0.000 0.500 355 A N 0.507 123.329 122.820 0.003 0.000 2.546 355 A HA 0.445 4.765 4.320 -0.000 0.000 0.243 355 A C 1.299 178.884 177.584 0.001 0.000 1.063 355 A CA 1.072 53.103 52.037 -0.011 0.000 0.757 355 A CB 0.214 19.205 19.000 -0.016 0.000 0.991 355 A HN 0.305 nan 8.150 nan 0.000 0.503 356 D N 0.892 121.282 120.400 -0.017 0.000 2.097 356 D HA -0.059 4.580 4.640 -0.000 0.000 0.197 356 D C 0.219 176.525 176.300 0.010 0.000 0.984 356 D CA 1.391 55.389 54.000 -0.003 0.000 0.826 356 D CB 0.115 40.879 40.800 -0.060 0.000 0.973 356 D HN 0.560 nan 8.370 nan 0.000 0.460 357 C N 0.823 120.113 119.300 -0.017 0.000 2.561 357 C HA 0.592 5.052 4.460 -0.000 0.000 0.319 357 C C 0.139 175.120 174.990 -0.016 0.000 1.198 357 C CA -1.005 58.010 59.018 -0.005 0.000 1.665 357 C CB 1.608 29.338 27.740 -0.016 0.000 2.258 357 C HN 0.174 nan 8.230 nan 0.000 0.493 358 I N 0.623 121.195 120.570 0.002 0.000 2.648 358 I HA 0.762 4.932 4.170 -0.000 0.000 0.304 358 I C -0.696 175.423 176.117 0.003 0.000 1.009 358 I CA -0.739 60.560 61.300 -0.002 0.000 1.114 358 I CB 1.606 39.613 38.000 0.013 0.000 1.293 358 I HN 0.649 nan 8.210 nan 0.000 0.449 359 M N 4.773 124.372 119.600 -0.002 0.000 2.591 359 M HA 0.638 5.118 4.480 -0.000 0.000 0.306 359 M C -1.865 174.451 176.300 0.027 0.000 1.190 359 M CA -0.701 54.606 55.300 0.012 0.000 0.889 359 M CB 2.668 35.259 32.600 -0.015 0.000 1.728 359 M HN 0.630 nan 8.290 nan 0.000 0.458 360 L N 1.341 122.592 121.223 0.045 0.000 2.354 360 L HA 0.584 4.924 4.340 -0.000 0.000 0.269 360 L C -0.188 176.721 176.870 0.065 0.000 1.005 360 L CA -0.282 54.588 54.840 0.051 0.000 0.819 360 L CB 2.308 44.400 42.059 0.054 0.000 1.311 360 L HN 0.793 nan 8.230 nan 0.000 0.423 361 S N 0.429 116.167 115.700 0.064 0.000 3.128 361 S HA 0.151 4.621 4.470 -0.000 0.000 0.171 361 S C 1.483 176.128 174.600 0.075 0.000 0.707 361 S CA 0.415 58.661 58.200 0.077 0.000 0.851 361 S CB -0.117 63.126 63.200 0.073 0.000 0.872 361 S HN 0.872 nan 8.310 nan 0.000 0.724 362 G N 1.239 110.079 108.800 0.067 0.000 2.470 362 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 362 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 362 G C 0.945 175.879 174.900 0.057 0.000 1.121 362 G CA 0.856 45.991 45.100 0.059 0.000 0.766 362 G HN 0.501 nan 8.290 nan 0.000 0.553 363 E N 0.080 120.317 120.200 0.062 0.000 2.268 363 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 363 E C 2.622 179.262 176.600 0.067 0.000 0.995 363 E CA 1.612 58.053 56.400 0.068 0.000 0.836 363 E CB -0.046 29.695 29.700 0.068 0.000 0.763 363 E HN 0.603 nan 8.360 nan 0.000 0.491 364 T N -3.109 111.483 114.554 0.063 0.000 3.026 364 T HA 0.373 4.723 4.350 -0.000 0.000 0.245 364 T C 2.020 176.755 174.700 0.058 0.000 1.004 364 T CA 0.197 62.333 62.100 0.060 0.000 1.069 364 T CB -0.064 68.841 68.868 0.063 0.000 1.005 364 T HN 0.110 nan 8.240 nan 0.000 0.472 365 A N 3.353 126.213 122.820 0.067 0.000 1.855 365 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 365 A C 2.210 179.825 177.584 0.050 0.000 1.191 365 A CA 1.875 53.955 52.037 0.072 0.000 0.613 365 A CB -0.410 18.642 19.000 0.087 0.000 0.829 365 A HN 0.725 nan 8.150 nan 0.000 0.442 366 K N -1.776 118.645 120.400 0.036 0.000 2.481 366 K HA 0.314 4.634 4.320 -0.000 0.000 0.210 366 K C 0.858 177.460 176.600 0.004 0.000 1.161 366 K CA 0.366 56.662 56.287 0.015 0.000 1.023 366 K CB 0.020 32.522 32.500 0.004 0.000 0.971 366 K HN 0.288 nan 8.250 nan 0.000 0.577 367 G N 0.889 109.698 108.800 0.014 0.000 2.651 367 G HA2 0.028 3.988 3.960 -0.000 0.000 0.260 367 G HA3 0.028 3.988 3.960 -0.000 0.000 0.260 367 G C -0.274 174.595 174.900 -0.050 0.000 1.216 367 G CA -0.278 44.826 45.100 0.008 0.000 0.913 367 G HN 0.074 nan 8.290 nan 0.000 0.535 368 D N -1.178 119.154 120.400 -0.113 0.000 2.249 368 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 368 D C 0.090 176.059 176.300 -0.552 0.000 0.962 368 D CA 1.123 54.898 54.000 -0.374 0.000 0.860 368 D CB 0.181 40.650 40.800 -0.552 0.000 0.955 368 D HN 0.369 nan 8.370 nan 0.000 0.505 369 Y N 0.112 120.423 120.300 0.018 0.000 2.553 369 Y HA 0.240 4.790 4.550 -0.000 0.000 0.369 369 Y C -1.626 174.286 175.900 0.021 0.000 0.964 369 Y CA -1.890 56.221 58.100 0.018 0.000 1.156 369 Y CB 1.154 39.624 38.460 0.017 0.000 1.218 369 Y HN -0.068 nan 8.280 nan 0.000 0.630 370 P HA -0.178 nan 4.420 nan 0.000 0.215 370 P C 1.502 178.851 177.300 0.083 0.000 1.157 370 P CA 1.496 64.645 63.100 0.081 0.000 0.863 370 P CB 0.534 32.263 31.700 0.048 0.000 0.787 371 L N -0.487 120.783 121.223 0.079 0.000 2.042 371 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 371 L C 2.545 179.457 176.870 0.070 0.000 1.076 371 L CA 1.754 56.633 54.840 0.065 0.000 0.749 371 L CB -1.334 40.761 42.059 0.060 0.000 0.893 371 L HN -0.052 nan 8.230 nan 0.000 0.432 372 E N 0.492 120.752 120.200 0.100 0.000 2.110 372 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 372 E C 2.286 178.923 176.600 0.062 0.000 0.988 372 E CA 1.282 57.727 56.400 0.076 0.000 0.804 372 E CB -0.300 29.445 29.700 0.074 0.000 0.745 372 E HN 0.468 nan 8.360 nan 0.000 0.458 373 A N 0.497 123.366 122.820 0.081 0.000 1.855 373 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 373 A C 2.475 180.096 177.584 0.061 0.000 1.191 373 A CA 1.453 53.530 52.037 0.067 0.000 0.613 373 A CB -0.834 18.211 19.000 0.076 0.000 0.829 373 A HN 0.140 nan 8.150 nan 0.000 0.442 374 V N 0.086 120.036 119.914 0.060 0.000 2.287 374 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 374 V C 2.643 178.779 176.094 0.070 0.000 1.053 374 V CA 2.453 64.787 62.300 0.056 0.000 1.027 374 V CB -0.934 30.911 31.823 0.036 0.000 0.646 374 V HN 0.530 nan 8.190 nan 0.000 0.447 375 R N -0.902 119.633 120.500 0.058 0.000 2.083 375 R HA -0.231 4.109 4.340 -0.000 0.000 0.237 375 R C 2.293 178.661 176.300 0.114 0.000 1.137 375 R CA 2.094 58.239 56.100 0.074 0.000 0.951 375 R CB -0.516 29.813 30.300 0.048 0.000 0.851 375 R HN 0.411 nan 8.270 nan 0.000 0.434 376 M N 1.100 120.745 119.600 0.075 0.000 2.080 376 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 376 M C 1.888 178.226 176.300 0.064 0.000 1.068 376 M CA 1.778 57.113 55.300 0.058 0.000 1.109 376 M CB -0.280 32.340 32.600 0.034 0.000 1.342 376 M HN 0.086 nan 8.290 nan 0.000 0.405 377 Q N -1.504 118.339 119.800 0.073 0.000 2.096 377 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 377 Q C 2.175 178.226 176.000 0.084 0.000 0.982 377 Q CA 2.107 57.950 55.803 0.067 0.000 0.850 377 Q CB -0.560 28.217 28.738 0.066 0.000 0.901 377 Q HN 0.748 nan 8.270 nan 0.000 0.422 378 H N 0.758 119.843 119.070 0.026 0.000 2.290 378 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 378 H C 1.945 177.290 175.328 0.029 0.000 1.087 378 H CA 1.863 57.929 56.048 0.031 0.000 1.291 378 H CB -0.266 29.515 29.762 0.032 0.000 1.369 378 H HN 0.106 nan 8.280 nan 0.000 0.492 379 L N -0.242 120.997 121.223 0.027 0.000 2.012 379 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 379 L C 2.600 179.435 176.870 -0.059 0.000 1.073 379 L CA 1.528 56.346 54.840 -0.036 0.000 0.748 379 L CB -0.417 41.665 42.059 0.039 0.000 0.891 379 L HN 0.374 nan 8.230 nan 0.000 0.431 380 I N -0.207 120.349 120.570 -0.024 0.000 2.286 380 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 380 I C 2.817 178.915 176.117 -0.032 0.000 1.115 380 I CA 1.011 62.299 61.300 -0.021 0.000 1.392 380 I CB -0.564 37.434 38.000 -0.003 0.000 1.065 380 I HN 0.193 nan 8.210 nan 0.000 0.418 381 A N 1.238 124.032 122.820 -0.043 0.000 1.902 381 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 381 A C 2.440 179.992 177.584 -0.053 0.000 1.181 381 A CA 1.488 53.503 52.037 -0.036 0.000 0.623 381 A CB -0.548 18.435 19.000 -0.028 0.000 0.818 381 A HN 0.325 nan 8.150 nan 0.000 0.443 382 R N -0.494 119.938 120.500 -0.114 0.000 2.096 382 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 382 R C 2.059 178.333 176.300 -0.043 0.000 1.127 382 R CA 1.290 57.331 56.100 -0.098 0.000 0.968 382 R CB -0.314 29.891 30.300 -0.158 0.000 0.861 382 R HN 0.563 nan 8.270 nan 0.000 0.440 383 E N 0.896 121.070 120.200 -0.042 0.000 2.031 383 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 383 E C 2.060 178.654 176.600 -0.009 0.000 0.994 383 E CA 1.390 57.776 56.400 -0.025 0.000 0.800 383 E CB -0.247 29.435 29.700 -0.029 0.000 0.752 383 E HN 0.311 nan 8.360 nan 0.000 0.447 384 A N 1.277 124.094 122.820 -0.005 0.000 2.019 384 A HA -0.196 4.123 4.320 -0.000 0.000 0.219 384 A C 1.979 179.580 177.584 0.028 0.000 1.164 384 A CA 1.446 53.488 52.037 0.008 0.000 0.644 384 A CB -0.410 18.595 19.000 0.008 0.000 0.805 384 A HN 0.197 nan 8.150 nan 0.000 0.449 385 E N -0.249 119.974 120.200 0.038 0.000 2.106 385 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 385 E C 2.269 178.958 176.600 0.147 0.000 0.984 385 E CA 0.911 57.363 56.400 0.085 0.000 0.806 385 E CB -0.243 29.502 29.700 0.074 0.000 0.750 385 E HN 0.626 nan 8.360 nan 0.000 0.458 386 A N 1.181 124.061 122.820 0.101 0.000 1.898 386 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 386 A C 2.251 179.904 177.584 0.115 0.000 1.181 386 A CA 1.465 53.574 52.037 0.120 0.000 0.620 386 A CB -0.422 18.610 19.000 0.052 0.000 0.819 386 A HN 0.266 nan 8.150 nan 0.000 0.442 387 A N -1.160 121.692 122.820 0.054 0.000 2.238 387 A HA 0.413 4.733 4.320 -0.000 0.000 0.208 387 A C 0.997 178.647 177.584 0.110 0.000 1.177 387 A CA -0.110 51.949 52.037 0.037 0.000 0.804 387 A CB -0.578 18.410 19.000 -0.021 0.000 0.823 387 A HN 0.552 nan 8.150 nan 0.000 0.482 388 M N -0.937 118.667 119.600 0.007 0.000 2.245 388 M HA 0.133 4.613 4.480 -0.000 0.000 0.330 388 M C -0.016 176.181 176.300 -0.171 0.000 1.098 388 M CA 0.494 55.697 55.300 -0.162 0.000 1.172 388 M CB 0.317 32.636 32.600 -0.469 0.000 1.467 388 M HN 0.419 nan 8.290 nan 0.000 0.454 389 F N 3.446 123.117 119.950 -0.466 0.000 2.441 389 F HA 0.159 4.686 4.527 -0.000 0.000 0.337 389 F C 1.151 176.794 175.800 -0.263 0.000 1.182 389 F CA -0.723 56.927 58.000 -0.582 0.000 1.279 389 F CB -0.040 38.469 39.000 -0.819 0.000 1.614 389 F HN 0.687 nan 8.300 nan 0.000 0.574 390 H N 1.984 121.125 119.070 0.118 0.000 2.265 390 H HA -0.224 4.332 4.556 -0.000 0.000 0.295 390 H C 2.355 177.607 175.328 -0.127 0.000 1.084 390 H CA 1.754 57.809 56.048 0.012 0.000 1.261 390 H CB -0.188 29.539 29.762 -0.058 0.000 1.360 390 H HN 0.532 nan 8.280 nan 0.000 0.487 391 R N 1.208 121.617 120.500 -0.152 0.000 2.140 391 R HA -0.213 4.127 4.340 -0.000 0.000 0.250 391 R C 2.267 178.452 176.300 -0.191 0.000 1.150 391 R CA 2.140 58.107 56.100 -0.221 0.000 0.966 391 R CB -0.038 30.159 30.300 -0.173 0.000 0.869 391 R HN 0.081 nan 8.270 nan 0.000 0.445 392 K N 0.522 120.620 120.400 -0.503 0.000 2.007 392 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 392 K C 2.040 178.535 176.600 -0.175 0.000 1.047 392 K CA 1.076 57.069 56.287 -0.490 0.000 0.937 392 K CB -0.653 31.246 32.500 -1.002 0.000 0.718 392 K HN 0.165 nan 8.250 nan 0.000 0.438 393 L N 0.345 121.508 121.223 -0.100 0.000 2.043 393 L HA -0.114 4.225 4.340 -0.000 0.000 0.212 393 L C 2.065 179.010 176.870 0.125 0.000 1.075 393 L CA 1.784 56.643 54.840 0.032 0.000 0.752 393 L CB -0.767 41.334 42.059 0.070 0.000 0.891 393 L HN 0.296 nan 8.230 nan 0.000 0.432 394 F N 0.509 120.512 119.950 0.088 0.000 2.102 394 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 394 F C 2.367 178.244 175.800 0.128 0.000 1.105 394 F CA 2.022 60.141 58.000 0.197 0.000 1.239 394 F CB -0.246 38.953 39.000 0.333 0.000 0.991 394 F HN 0.214 nan 8.300 nan 0.000 0.474 395 E N -0.043 120.256 120.200 0.164 0.000 2.097 395 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 395 E C 2.016 178.588 176.600 -0.047 0.000 1.000 395 E CA 1.833 58.257 56.400 0.040 0.000 0.804 395 E CB -0.258 29.457 29.700 0.026 0.000 0.740 395 E HN 0.618 nan 8.360 nan 0.000 0.454 396 E N 0.205 120.377 120.200 -0.047 0.000 2.216 396 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 396 E C 2.115 178.679 176.600 -0.061 0.000 0.988 396 E CA 0.368 56.734 56.400 -0.056 0.000 0.834 396 E CB 0.094 29.756 29.700 -0.062 0.000 0.772 396 E HN 0.254 nan 8.360 nan 0.000 0.479 397 L N 0.666 121.845 121.223 -0.073 0.000 2.131 397 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 397 L C 2.567 179.416 176.870 -0.034 0.000 1.087 397 L CA 0.743 55.536 54.840 -0.078 0.000 0.767 397 L CB -0.329 41.666 42.059 -0.107 0.000 0.917 397 L HN 0.109 nan 8.230 nan 0.000 0.441 398 A N 0.154 122.910 122.820 -0.107 0.000 1.877 398 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 398 A C 2.442 179.999 177.584 -0.044 0.000 1.186 398 A CA 1.712 53.688 52.037 -0.101 0.000 0.620 398 A CB -0.572 18.277 19.000 -0.251 0.000 0.822 398 A HN 0.304 nan 8.150 nan 0.000 0.443 399 R N -0.441 120.030 120.500 -0.049 0.000 2.083 399 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 399 R C 2.241 178.528 176.300 -0.023 0.000 1.137 399 R CA 1.526 57.608 56.100 -0.031 0.000 0.951 399 R CB -0.391 29.889 30.300 -0.033 0.000 0.851 399 R HN 0.454 nan 8.270 nan 0.000 0.434 400 A N 0.050 122.853 122.820 -0.027 0.000 2.067 400 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 400 A C 1.948 179.526 177.584 -0.010 0.000 1.158 400 A CA 1.577 53.601 52.037 -0.023 0.000 0.661 400 A CB -0.231 18.748 19.000 -0.034 0.000 0.801 400 A HN 0.565 nan 8.150 nan 0.000 0.452 401 S N -0.276 115.429 115.700 0.008 0.000 2.535 401 S HA -0.031 4.439 4.470 -0.000 0.000 0.214 401 S C 1.699 176.314 174.600 0.025 0.000 0.980 401 S CA 0.824 59.045 58.200 0.035 0.000 0.907 401 S CB -0.581 62.688 63.200 0.115 0.000 0.790 401 S HN 0.791 nan 8.310 nan 0.000 0.510 402 S N 2.480 118.184 115.700 0.006 0.000 2.461 402 S HA -0.243 4.227 4.470 -0.000 0.000 0.246 402 S C 1.972 176.571 174.600 -0.002 0.000 1.007 402 S CA 1.191 59.389 58.200 -0.003 0.000 0.976 402 S CB -0.676 62.519 63.200 -0.009 0.000 0.763 402 S HN 0.787 nan 8.310 nan 0.000 0.508 403 Q N 1.504 121.304 119.800 0.000 0.000 2.331 403 Q HA 0.214 4.554 4.340 -0.000 0.000 0.203 403 Q C 0.848 176.847 176.000 -0.002 0.000 0.944 403 Q CA 0.738 56.540 55.803 -0.002 0.000 0.892 403 Q CB -0.804 27.932 28.738 -0.003 0.000 0.983 403 Q HN 0.467 nan 8.270 nan 0.000 0.482 404 S N 1.531 117.234 115.700 0.004 0.000 2.528 404 S HA 0.222 4.691 4.470 -0.000 0.000 0.277 404 S C 0.480 175.077 174.600 -0.005 0.000 1.297 404 S CA 0.164 58.366 58.200 0.003 0.000 1.052 404 S CB 0.684 63.895 63.200 0.018 0.000 0.917 404 S HN 0.487 nan 8.310 nan 0.000 0.492 405 T N 1.015 115.559 114.554 -0.016 0.000 3.215 405 T HA 0.220 4.570 4.350 -0.000 0.000 0.271 405 T C 0.004 174.679 174.700 -0.041 0.000 1.012 405 T CA -0.527 61.559 62.100 -0.024 0.000 0.899 405 T CB -0.416 68.439 68.868 -0.021 0.000 1.089 405 T HN 0.634 nan 8.240 nan 0.000 0.552 406 D N 1.254 121.626 120.400 -0.047 0.000 2.533 406 D HA 0.048 4.688 4.640 -0.000 0.000 0.236 406 D C 1.366 177.593 176.300 -0.121 0.000 1.137 406 D CA -0.083 53.864 54.000 -0.088 0.000 0.867 406 D CB 0.508 41.267 40.800 -0.069 0.000 1.170 406 D HN 0.189 nan 8.370 nan 0.000 0.474 407 L N 3.234 124.330 121.223 -0.212 0.000 2.046 407 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 407 L C 2.221 178.989 176.870 -0.169 0.000 1.077 407 L CA 0.793 55.513 54.840 -0.199 0.000 0.747 407 L CB -0.505 41.398 42.059 -0.259 0.000 0.896 407 L HN 0.617 nan 8.230 nan 0.000 0.432 408 M N 0.332 119.718 119.600 -0.357 0.000 2.132 408 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 408 M C 2.038 178.349 176.300 0.018 0.000 1.065 408 M CA 1.710 56.955 55.300 -0.091 0.000 1.122 408 M CB -0.384 32.138 32.600 -0.131 0.000 1.365 408 M HN 0.090 nan 8.290 nan 0.000 0.411 409 E N -0.335 119.864 120.200 -0.001 0.000 2.097 409 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 409 E C 1.921 178.476 176.600 -0.075 0.000 1.000 409 E CA 1.456 57.881 56.400 0.042 0.000 0.804 409 E CB -0.327 29.418 29.700 0.074 0.000 0.740 409 E HN 0.661 nan 8.360 nan 0.000 0.454 410 A N 0.960 123.750 122.820 -0.051 0.000 1.877 410 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 410 A C 2.129 179.708 177.584 -0.007 0.000 1.186 410 A CA 1.322 53.333 52.037 -0.043 0.000 0.620 410 A CB -0.310 18.681 19.000 -0.014 0.000 0.822 410 A HN 0.133 nan 8.150 nan 0.000 0.443 411 M N -0.310 119.324 119.600 0.057 0.000 2.159 411 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 411 M C 2.463 178.789 176.300 0.043 0.000 1.063 411 M CA 1.559 56.908 55.300 0.083 0.000 1.110 411 M CB -1.530 31.179 32.600 0.182 0.000 1.374 411 M HN 0.508 nan 8.290 nan 0.000 0.411 412 A N 0.171 123.011 122.820 0.033 0.000 1.841 412 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 412 A C 2.253 179.818 177.584 -0.032 0.000 1.195 412 A CA 1.576 53.635 52.037 0.036 0.000 0.611 412 A CB -0.623 18.453 19.000 0.127 0.000 0.835 412 A HN 0.439 nan 8.150 nan 0.000 0.443 413 M N -0.308 119.173 119.600 -0.198 0.000 2.106 413 M HA -0.152 4.328 4.480 -0.000 0.000 0.259 413 M C 2.267 178.591 176.300 0.041 0.000 1.068 413 M CA 1.508 56.762 55.300 -0.078 0.000 1.100 413 M CB -0.676 31.773 32.600 -0.252 0.000 1.351 413 M HN 0.548 nan 8.290 nan 0.000 0.404 414 G N -0.534 108.258 108.800 -0.013 0.000 2.459 414 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 414 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 414 G C 1.577 176.443 174.900 -0.056 0.000 1.183 414 G CA 1.348 46.436 45.100 -0.019 0.000 0.776 414 G HN 0.470 nan 8.290 nan 0.000 0.552 415 S N -0.132 115.538 115.700 -0.050 0.000 2.387 415 S HA -0.053 4.417 4.470 -0.000 0.000 0.226 415 S C 2.478 176.984 174.600 -0.158 0.000 1.026 415 S CA 1.008 59.164 58.200 -0.072 0.000 0.972 415 S CB -0.138 63.044 63.200 -0.030 0.000 0.814 415 S HN 0.179 nan 8.310 nan 0.000 0.477 416 V N 1.834 121.632 119.914 -0.192 0.000 2.307 416 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 416 V C 2.595 178.210 176.094 -0.799 0.000 1.045 416 V CA 1.965 64.008 62.300 -0.429 0.000 1.024 416 V CB -0.662 31.021 31.823 -0.233 0.000 0.651 416 V HN 0.391 nan 8.190 nan 0.000 0.449 417 E N 1.196 121.026 120.200 -0.616 0.000 2.038 417 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 417 E C 2.121 178.576 176.600 -0.242 0.000 1.000 417 E CA 1.982 58.103 56.400 -0.465 0.000 0.803 417 E CB -0.629 28.919 29.700 -0.253 0.000 0.750 417 E HN 0.481 nan 8.360 nan 0.000 0.448 418 A N 0.208 122.919 122.820 -0.181 0.000 1.978 418 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 418 A C 2.398 179.913 177.584 -0.115 0.000 1.170 418 A CA 2.486 54.457 52.037 -0.110 0.000 0.636 418 A CB -1.022 17.929 19.000 -0.081 0.000 0.810 418 A HN 0.457 nan 8.150 nan 0.000 0.448 419 S N -1.760 113.822 115.700 -0.197 0.000 2.428 419 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 419 S C 1.832 176.374 174.600 -0.098 0.000 1.014 419 S CA 1.089 59.189 58.200 -0.168 0.000 0.957 419 S CB -0.652 62.417 63.200 -0.219 0.000 0.784 419 S HN 0.500 nan 8.310 nan 0.000 0.499 420 Y N 2.198 122.418 120.300 -0.133 0.000 2.133 420 Y HA 0.158 4.708 4.550 -0.000 0.000 0.287 420 Y C 2.643 178.493 175.900 -0.083 0.000 1.134 420 Y CA 0.921 58.945 58.100 -0.127 0.000 1.133 420 Y CB -0.988 37.365 38.460 -0.178 0.000 0.987 420 Y HN 0.240 nan 8.280 nan 0.000 0.502 421 K N 0.830 121.285 120.400 0.092 0.000 2.032 421 K HA -0.148 4.171 4.320 -0.000 0.000 0.209 421 K C 1.842 178.456 176.600 0.023 0.000 1.048 421 K CA 1.902 58.214 56.287 0.041 0.000 0.927 421 K CB -0.777 31.731 32.500 0.013 0.000 0.712 421 K HN 0.468 nan 8.250 nan 0.000 0.441 422 C N 0.015 119.320 119.300 0.007 0.000 2.780 422 C HA 0.487 4.947 4.460 -0.000 0.000 0.287 422 C C 0.319 175.312 174.990 0.006 0.000 1.288 422 C CA -0.936 58.082 59.018 -0.000 0.000 1.713 422 C CB -1.594 26.137 27.740 -0.015 0.000 1.955 422 C HN 0.434 nan 8.230 nan 0.000 0.613 423 L N 0.697 121.933 121.223 0.021 0.000 3.895 423 L HA -0.227 4.112 4.340 -0.000 0.000 0.511 423 L C 0.983 177.861 176.870 0.014 0.000 1.222 423 L CA 0.516 55.373 54.840 0.029 0.000 0.739 423 L CB -2.135 39.947 42.059 0.038 0.000 1.425 423 L HN 0.693 nan 8.230 nan 0.000 0.817 424 A N 0.646 123.462 122.820 -0.005 0.000 2.407 424 A HA 0.619 4.939 4.320 -0.000 0.000 0.248 424 A C 1.358 178.950 177.584 0.014 0.000 1.082 424 A CA 0.410 52.440 52.037 -0.013 0.000 0.785 424 A CB 0.930 19.906 19.000 -0.041 0.000 1.020 424 A HN 0.729 nan 8.150 nan 0.000 0.489 425 A N 1.257 124.105 122.820 0.047 0.000 2.119 425 A HA 0.494 4.814 4.320 -0.000 0.000 0.216 425 A C 1.033 178.721 177.584 0.173 0.000 1.152 425 A CA 1.573 53.692 52.037 0.137 0.000 0.708 425 A CB -0.414 18.743 19.000 0.262 0.000 0.805 425 A HN 2.403 nan 8.150 nan 0.000 0.460 426 A N -1.773 121.118 122.820 0.119 0.000 2.583 426 A HA 0.574 4.893 4.320 -0.000 0.000 0.292 426 A C -1.740 175.873 177.584 0.048 0.000 1.045 426 A CA -0.661 51.449 52.037 0.121 0.000 0.672 426 A CB 0.216 19.434 19.000 0.363 0.000 1.283 426 A HN 0.279 nan 8.150 nan 0.000 0.419 427 L N 1.438 122.687 121.223 0.043 0.000 2.296 427 L HA 0.614 4.954 4.340 -0.000 0.000 0.286 427 L C -0.375 176.536 176.870 0.067 0.000 1.023 427 L CA -0.024 54.833 54.840 0.028 0.000 0.812 427 L CB 1.444 43.508 42.059 0.008 0.000 1.223 427 L HN 0.575 nan 8.230 nan 0.000 0.421 428 I N 3.697 124.299 120.570 0.052 0.000 2.336 428 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 428 I C -0.676 175.467 176.117 0.044 0.000 0.991 428 I CA -0.743 60.598 61.300 0.069 0.000 1.227 428 I CB 1.606 39.638 38.000 0.054 0.000 1.366 428 I HN 0.210 nan 8.210 nan 0.000 0.466 429 V N 7.120 127.065 119.914 0.051 0.000 2.577 429 V HA 0.352 4.472 4.120 -0.000 0.000 0.303 429 V C -0.451 175.658 176.094 0.025 0.000 1.042 429 V CA -0.626 61.695 62.300 0.034 0.000 0.872 429 V CB 2.050 33.891 31.823 0.031 0.000 0.998 429 V HN 0.365 nan 8.190 nan 0.000 0.423 430 L N 4.012 125.245 121.223 0.017 0.000 2.275 430 L HA 0.820 5.159 4.340 -0.000 0.000 0.288 430 L C 0.268 177.153 176.870 0.026 0.000 1.046 430 L CA 0.763 55.611 54.840 0.013 0.000 0.805 430 L CB 1.467 43.523 42.059 -0.006 0.000 1.193 430 L HN 0.865 nan 8.230 nan 0.000 0.426 431 T N 1.272 115.837 114.554 0.018 0.000 2.885 431 T HA 0.427 4.776 4.350 -0.000 0.000 0.322 431 T C 0.072 174.780 174.700 0.013 0.000 1.387 431 T CA -0.371 61.734 62.100 0.007 0.000 1.041 431 T CB 1.259 70.096 68.868 -0.053 0.000 1.287 431 T HN 0.602 nan 8.240 nan 0.000 0.491 432 E N 0.870 121.081 120.200 0.019 0.000 2.357 432 E HA 0.099 4.449 4.350 -0.000 0.000 0.202 432 E C 2.101 178.711 176.600 0.017 0.000 0.855 432 E CA 1.104 57.523 56.400 0.031 0.000 1.048 432 E CB -0.208 29.524 29.700 0.054 0.000 1.037 432 E HN 0.661 nan 8.360 nan 0.000 0.499 433 S N -0.320 115.381 115.700 0.003 0.000 2.522 433 S HA 0.117 4.587 4.470 -0.000 0.000 0.227 433 S C 1.702 176.264 174.600 -0.063 0.000 0.986 433 S CA 1.040 59.240 58.200 0.000 0.000 0.929 433 S CB 0.140 63.346 63.200 0.009 0.000 0.769 433 S HN 0.337 nan 8.310 nan 0.000 0.529 434 G N 1.894 110.596 108.800 -0.163 0.000 2.234 434 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 434 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 434 G C 1.058 175.414 174.900 -0.906 0.000 0.987 434 G CA 0.400 45.231 45.100 -0.448 0.000 0.625 434 G HN 0.490 nan 8.290 nan 0.000 0.532 435 R N 0.660 120.863 120.500 -0.494 0.000 2.117 435 R HA -0.068 4.272 4.340 -0.000 0.000 0.243 435 R C 2.713 178.877 176.300 -0.226 0.000 1.143 435 R CA 1.879 57.777 56.100 -0.337 0.000 0.968 435 R CB -0.350 29.907 30.300 -0.072 0.000 0.863 435 R HN 0.505 nan 8.270 nan 0.000 0.444 436 S N 0.359 115.973 115.700 -0.142 0.000 2.387 436 S HA -0.071 4.399 4.470 -0.000 0.000 0.226 436 S C 1.991 176.561 174.600 -0.049 0.000 1.026 436 S CA 1.058 59.245 58.200 -0.022 0.000 0.972 436 S CB 0.018 63.246 63.200 0.047 0.000 0.814 436 S HN 0.454 nan 8.310 nan 0.000 0.477 437 A N 1.643 124.373 122.820 -0.150 0.000 1.897 437 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 437 A C 1.670 179.213 177.584 -0.070 0.000 1.181 437 A CA 1.185 53.167 52.037 -0.091 0.000 0.620 437 A CB -0.949 17.995 19.000 -0.094 0.000 0.821 437 A HN 0.659 nan 8.150 nan 0.000 0.443 438 H N -0.697 118.218 119.070 -0.259 0.000 2.390 438 H HA -0.151 4.405 4.556 -0.000 0.000 0.298 438 H C 2.094 177.365 175.328 -0.095 0.000 1.106 438 H CA 1.150 56.936 56.048 -0.437 0.000 1.297 438 H CB 0.080 29.453 29.762 -0.650 0.000 1.375 438 H HN 0.384 nan 8.280 nan 0.000 0.509 439 Q N 0.540 120.398 119.800 0.097 0.000 2.224 439 Q HA -0.066 4.274 4.340 -0.000 0.000 0.203 439 Q C 2.617 178.765 176.000 0.247 0.000 0.970 439 Q CA 0.589 56.495 55.803 0.171 0.000 0.865 439 Q CB -0.165 28.667 28.738 0.156 0.000 0.922 439 Q HN 0.383 nan 8.270 nan 0.000 0.445 440 V N 0.963 120.979 119.914 0.170 0.000 2.323 440 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 440 V C 2.368 178.584 176.094 0.203 0.000 1.041 440 V CA 1.558 63.969 62.300 0.185 0.000 1.025 440 V CB -1.120 30.767 31.823 0.107 0.000 0.656 440 V HN 0.286 nan 8.190 nan 0.000 0.451 441 A N 0.290 123.208 122.820 0.164 0.000 1.892 441 A HA -0.323 3.997 4.320 -0.000 0.000 0.218 441 A C 2.371 180.057 177.584 0.170 0.000 1.188 441 A CA 2.374 54.519 52.037 0.181 0.000 0.631 441 A CB -0.729 18.400 19.000 0.215 0.000 0.822 441 A HN 0.479 nan 8.150 nan 0.000 0.447 442 R N -1.946 118.630 120.500 0.127 0.000 2.178 442 R HA -0.244 4.096 4.340 -0.000 0.000 0.257 442 R C 1.133 177.320 176.300 -0.189 0.000 1.163 442 R CA 2.335 58.398 56.100 -0.061 0.000 0.981 442 R CB -0.373 29.816 30.300 -0.184 0.000 0.878 442 R HN 0.636 nan 8.270 nan 0.000 0.454 443 Y N -0.149 120.242 120.300 0.153 0.000 2.485 443 Y HA 0.268 4.817 4.550 -0.000 0.000 0.260 443 Y C 0.033 176.133 175.900 0.334 0.000 1.173 443 Y CA -0.279 57.947 58.100 0.209 0.000 1.252 443 Y CB 0.685 39.289 38.460 0.239 0.000 1.123 443 Y HN -0.043 nan 8.280 nan 0.000 0.524 444 R N -0.594 120.109 120.500 0.340 0.000 3.184 444 R HA -0.121 4.219 4.340 -0.000 0.000 0.257 444 R C -3.089 173.442 176.300 0.386 0.000 0.999 444 R CA 0.079 56.389 56.100 0.350 0.000 0.670 444 R CB -2.322 28.198 30.300 0.366 0.000 1.197 444 R HN 0.272 nan 8.270 nan 0.000 0.419 445 P HA 0.094 nan 4.420 nan 0.000 0.276 445 P C 0.641 177.962 177.300 0.034 0.000 1.252 445 P CA -0.360 62.745 63.100 0.008 0.000 0.802 445 P CB 0.426 32.065 31.700 -0.103 0.000 1.035 446 R N 0.346 120.764 120.500 -0.136 0.000 2.210 446 R HA 0.316 4.655 4.340 -0.000 0.000 0.203 446 R C 0.818 177.075 176.300 -0.072 0.000 1.010 446 R CA 0.068 56.037 56.100 -0.218 0.000 1.008 446 R CB -0.448 29.570 30.300 -0.470 0.000 0.923 446 R HN 0.385 nan 8.270 nan 0.000 0.469 447 A N 3.137 125.916 122.820 -0.069 0.000 2.322 447 A HA 0.411 4.731 4.320 -0.000 0.000 0.269 447 A C -2.204 175.336 177.584 -0.073 0.000 1.094 447 A CA -1.952 50.045 52.037 -0.066 0.000 0.807 447 A CB 0.093 19.066 19.000 -0.046 0.000 1.047 447 A HN 0.172 nan 8.150 nan 0.000 0.487 448 P HA 0.178 nan 4.420 nan 0.000 0.269 448 P C -0.857 176.421 177.300 -0.038 0.000 1.209 448 P CA 0.387 63.383 63.100 -0.174 0.000 0.776 448 P CB 0.456 31.841 31.700 -0.525 0.000 0.876 449 I N 3.619 124.212 120.570 0.039 0.000 2.337 449 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 449 I C 0.639 176.850 176.117 0.156 0.000 1.041 449 I CA -0.559 60.794 61.300 0.089 0.000 1.199 449 I CB 0.305 38.361 38.000 0.094 0.000 1.370 449 I HN 0.106 nan 8.210 nan 0.000 0.470 450 I N 6.082 126.759 120.570 0.177 0.000 2.347 450 I HA 0.278 4.448 4.170 -0.000 0.000 0.294 450 I C 0.713 176.932 176.117 0.171 0.000 1.090 450 I CA -0.054 61.398 61.300 0.253 0.000 1.314 450 I CB 0.586 38.765 38.000 0.297 0.000 1.423 450 I HN 0.568 nan 8.210 nan 0.000 0.503 451 A N 7.264 130.171 122.820 0.145 0.000 2.260 451 A HA 0.619 4.939 4.320 -0.000 0.000 0.308 451 A C -0.273 177.347 177.584 0.060 0.000 1.254 451 A CA -0.433 51.648 52.037 0.074 0.000 0.874 451 A CB 0.653 19.674 19.000 0.036 0.000 1.153 451 A HN 0.470 nan 8.150 nan 0.000 0.527 452 V N 2.378 122.320 119.914 0.047 0.000 2.439 452 V HA 0.735 4.855 4.120 -0.000 0.000 0.282 452 V C 0.474 176.575 176.094 0.012 0.000 1.039 452 V CA -0.104 62.215 62.300 0.031 0.000 0.913 452 V CB 1.401 33.243 31.823 0.031 0.000 0.983 452 V HN 0.972 nan 8.190 nan 0.000 0.460 453 T N 4.033 118.589 114.554 0.004 0.000 2.982 453 T HA 0.386 4.736 4.350 -0.000 0.000 0.321 453 T C 0.402 175.105 174.700 0.004 0.000 1.229 453 T CA -0.591 61.513 62.100 0.006 0.000 1.044 453 T CB 1.635 70.503 68.868 -0.000 0.000 1.184 453 T HN 0.657 nan 8.240 nan 0.000 0.477 454 R N 1.791 122.311 120.500 0.033 0.000 2.280 454 R HA 0.191 4.531 4.340 -0.000 0.000 0.195 454 R C 0.580 176.952 176.300 0.120 0.000 0.935 454 R CA -0.154 55.983 56.100 0.061 0.000 1.033 454 R CB 0.215 30.559 30.300 0.073 0.000 0.964 454 R HN 0.394 nan 8.270 nan 0.000 0.489 455 N N 1.189 119.945 118.700 0.093 0.000 2.415 455 N HA -0.015 4.725 4.740 -0.000 0.000 0.246 455 N C 0.557 176.150 175.510 0.139 0.000 1.078 455 N CA 0.256 53.382 53.050 0.127 0.000 0.942 455 N CB 0.502 39.038 38.487 0.082 0.000 1.140 455 N HN 0.266 nan 8.380 nan 0.000 0.501 456 H N 1.862 120.954 119.070 0.037 0.000 2.352 456 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 456 H C 1.339 176.695 175.328 0.048 0.000 1.097 456 H CA 1.423 57.500 56.048 0.048 0.000 1.311 456 H CB 0.536 30.326 29.762 0.047 0.000 1.377 456 H HN 0.680 nan 8.280 nan 0.000 0.504 457 Q N 0.490 120.393 119.800 0.171 0.000 2.172 457 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 457 Q C 1.900 177.954 176.000 0.090 0.000 0.964 457 Q CA 1.282 57.151 55.803 0.110 0.000 0.855 457 Q CB 0.259 29.047 28.738 0.084 0.000 0.918 457 Q HN 0.271 nan 8.270 nan 0.000 0.444 458 T N 0.726 115.332 114.554 0.086 0.000 2.746 458 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 458 T C 1.754 176.481 174.700 0.046 0.000 1.039 458 T CA 1.174 63.321 62.100 0.078 0.000 1.142 458 T CB -0.355 68.547 68.868 0.057 0.000 0.866 458 T HN 0.475 nan 8.240 nan 0.000 0.444 459 A N 2.132 124.959 122.820 0.011 0.000 1.859 459 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 459 A C 2.354 179.867 177.584 -0.118 0.000 1.198 459 A CA 1.717 53.717 52.037 -0.062 0.000 0.629 459 A CB -0.557 18.404 19.000 -0.064 0.000 0.830 459 A HN 0.459 nan 8.150 nan 0.000 0.446 460 R N -0.705 119.784 120.500 -0.019 0.000 2.148 460 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 460 R C 2.254 178.592 176.300 0.063 0.000 1.103 460 R CA 1.381 57.502 56.100 0.035 0.000 0.983 460 R CB -0.263 30.099 30.300 0.105 0.000 0.874 460 R HN 0.692 nan 8.270 nan 0.000 0.451 461 Q N 0.028 119.869 119.800 0.069 0.000 2.378 461 Q HA 0.058 4.398 4.340 -0.000 0.000 0.205 461 Q C 2.010 178.110 176.000 0.166 0.000 0.954 461 Q CA 0.779 56.659 55.803 0.128 0.000 0.901 461 Q CB 0.166 28.992 28.738 0.146 0.000 0.981 461 Q HN 0.323 nan 8.270 nan 0.000 0.483 462 A N 0.749 123.612 122.820 0.071 0.000 2.070 462 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 462 A C 1.459 179.126 177.584 0.139 0.000 1.159 462 A CA 1.162 53.264 52.037 0.110 0.000 0.656 462 A CB -0.560 18.418 19.000 -0.037 0.000 0.800 462 A HN 0.358 nan 8.150 nan 0.000 0.453 463 H N -0.270 118.892 119.070 0.153 0.000 2.457 463 H HA -0.041 4.515 4.556 -0.000 0.000 0.297 463 H C 1.741 177.133 175.328 0.107 0.000 1.092 463 H CA 1.321 57.436 56.048 0.112 0.000 1.309 463 H CB -0.315 29.486 29.762 0.064 0.000 1.382 463 H HN 0.458 nan 8.280 nan 0.000 0.535 464 L N 0.023 121.364 121.223 0.196 0.000 2.549 464 L HA -0.109 4.231 4.340 -0.000 0.000 0.229 464 L C -0.059 176.697 176.870 -0.190 0.000 1.158 464 L CA 0.557 55.384 54.840 -0.022 0.000 0.842 464 L CB -0.179 41.791 42.059 -0.148 0.000 0.952 464 L HN 0.134 nan 8.230 nan 0.000 0.452 465 Y N -1.092 119.232 120.300 0.041 0.000 2.364 465 Y HA 0.402 4.952 4.550 -0.000 0.000 0.340 465 Y C 0.500 176.448 175.900 0.080 0.000 0.975 465 Y CA -1.396 56.726 58.100 0.037 0.000 1.089 465 Y CB 0.973 39.453 38.460 0.033 0.000 1.192 465 Y HN -0.160 nan 8.280 nan 0.000 0.454 466 R N 1.831 122.451 120.500 0.200 0.000 2.501 466 R HA 0.233 4.573 4.340 -0.000 0.000 0.319 466 R C 1.079 177.488 176.300 0.183 0.000 0.913 466 R CA 1.360 57.559 56.100 0.165 0.000 1.104 466 R CB -0.741 29.638 30.300 0.133 0.000 0.901 466 R HN 0.991 nan 8.270 nan 0.000 0.407 467 G N 3.898 112.799 108.800 0.169 0.000 2.176 467 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 467 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 467 G C 0.197 175.197 174.900 0.167 0.000 0.979 467 G CA 0.129 45.315 45.100 0.143 0.000 0.641 467 G HN 0.578 nan 8.290 nan 0.000 0.530 468 I N 1.062 121.752 120.570 0.200 0.000 2.322 468 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 468 I C 0.094 176.347 176.117 0.226 0.000 1.060 468 I CA -0.573 60.841 61.300 0.189 0.000 1.309 468 I CB 0.565 38.658 38.000 0.155 0.000 1.415 468 I HN 0.106 nan 8.210 nan 0.000 0.492 469 F N 10.151 130.150 119.950 0.080 0.000 2.351 469 F HA 0.401 4.928 4.527 -0.000 0.000 0.362 469 F C -1.953 173.885 175.800 0.063 0.000 1.131 469 F CA -2.426 55.638 58.000 0.107 0.000 1.187 469 F CB 0.529 39.624 39.000 0.157 0.000 1.434 469 F HN 0.282 nan 8.300 nan 0.000 0.553 470 P HA 0.103 nan 4.420 nan 0.000 0.275 470 P C -1.108 176.098 177.300 -0.157 0.000 1.227 470 P CA -0.038 62.967 63.100 -0.158 0.000 0.781 470 P CB 1.997 33.526 31.700 -0.285 0.000 0.906 471 V N 3.919 123.811 119.914 -0.037 0.000 2.447 471 V HA 0.095 4.215 4.120 -0.000 0.000 0.292 471 V C 0.256 176.350 176.094 -0.001 0.000 1.021 471 V CA -0.847 61.458 62.300 0.009 0.000 0.850 471 V CB 2.044 33.925 31.823 0.097 0.000 1.005 471 V HN 0.259 nan 8.190 nan 0.000 0.426 472 V N 4.152 124.063 119.914 -0.005 0.000 2.479 472 V HA 0.067 4.187 4.120 -0.000 0.000 0.281 472 V C 0.619 176.685 176.094 -0.046 0.000 1.031 472 V CA -0.010 62.244 62.300 -0.077 0.000 1.038 472 V CB 1.026 32.747 31.823 -0.170 0.000 0.981 472 V HN 1.016 nan 8.190 nan 0.000 0.478 473 C N 6.984 126.259 119.300 -0.043 0.000 2.325 473 C HA 0.356 4.815 4.460 -0.000 0.000 0.347 473 C C 1.410 176.395 174.990 -0.009 0.000 1.263 473 C CA -0.520 58.489 59.018 -0.015 0.000 1.806 473 C CB -0.288 27.451 27.740 -0.002 0.000 2.405 473 C HN 1.018 nan 8.230 nan 0.000 0.537 474 K N 2.200 122.600 120.400 0.000 0.000 2.354 474 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 474 K C 0.092 176.708 176.600 0.027 0.000 1.045 474 K CA 0.037 56.340 56.287 0.027 0.000 1.026 474 K CB 0.163 32.671 32.500 0.012 0.000 0.866 474 K HN 0.753 nan 8.250 nan 0.000 0.530 475 D N 3.104 123.512 120.400 0.013 0.000 2.478 475 D HA -0.019 4.621 4.640 -0.000 0.000 0.234 475 D C -2.202 174.108 176.300 0.016 0.000 1.154 475 D CA -0.509 53.496 54.000 0.009 0.000 0.874 475 D CB 0.272 41.071 40.800 -0.002 0.000 1.198 475 D HN 0.057 nan 8.370 nan 0.000 0.455 476 P HA 0.046 nan 4.420 nan 0.000 0.274 476 P C -0.599 176.711 177.300 0.016 0.000 1.237 476 P CA -0.499 62.612 63.100 0.018 0.000 0.793 476 P CB 0.546 32.254 31.700 0.013 0.000 0.977 477 V N 3.014 122.945 119.914 0.028 0.000 2.585 477 V HA -0.009 4.111 4.120 -0.000 0.000 0.296 477 V C 1.015 177.126 176.094 0.029 0.000 1.035 477 V CA 0.013 62.336 62.300 0.037 0.000 1.084 477 V CB -0.127 31.736 31.823 0.067 0.000 0.953 477 V HN 0.490 nan 8.190 nan 0.000 0.483 478 Q N 3.292 123.101 119.800 0.016 0.000 2.354 478 Q HA 0.213 4.553 4.340 -0.000 0.000 0.244 478 Q C 1.059 177.081 176.000 0.036 0.000 0.969 478 Q CA -0.130 55.678 55.803 0.009 0.000 0.885 478 Q CB 0.929 29.653 28.738 -0.023 0.000 1.241 478 Q HN 0.737 nan 8.270 nan 0.000 0.461 479 E N 1.113 121.330 120.200 0.028 0.000 2.031 479 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 479 E C 0.028 176.662 176.600 0.057 0.000 0.994 479 E CA 1.007 57.431 56.400 0.039 0.000 0.800 479 E CB 0.045 29.758 29.700 0.022 0.000 0.752 479 E HN 0.683 nan 8.360 nan 0.000 0.447 480 A N 1.532 124.372 122.820 0.033 0.000 2.484 480 A HA -0.094 4.226 4.320 -0.000 0.000 0.268 480 A C 0.550 178.170 177.584 0.060 0.000 1.114 480 A CA -0.148 51.911 52.037 0.036 0.000 0.780 480 A CB -0.365 18.631 19.000 -0.008 0.000 1.061 480 A HN 0.613 nan 8.150 nan 0.000 0.505 481 W N 3.139 124.391 121.300 -0.080 0.000 2.350 481 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 481 W C 1.547 177.996 176.519 -0.116 0.000 1.215 481 W CA 1.699 58.988 57.345 -0.094 0.000 1.236 481 W CB -0.054 29.340 29.460 -0.109 0.000 1.130 481 W HN 0.777 nan 8.180 nan 0.000 0.541 482 A N 0.761 123.458 122.820 -0.205 0.000 1.898 482 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 482 A C 1.807 179.220 177.584 -0.285 0.000 1.181 482 A CA 1.750 53.597 52.037 -0.316 0.000 0.620 482 A CB -0.886 17.994 19.000 -0.200 0.000 0.819 482 A HN 0.441 nan 8.150 nan 0.000 0.442 483 E N -0.720 119.368 120.200 -0.187 0.000 2.150 483 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 483 E C 1.488 177.981 176.600 -0.178 0.000 0.985 483 E CA 1.050 57.361 56.400 -0.149 0.000 0.814 483 E CB -0.109 29.538 29.700 -0.087 0.000 0.752 483 E HN 0.696 nan 8.360 nan 0.000 0.466 484 D N -0.316 119.946 120.400 -0.229 0.000 2.183 484 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 484 D C 1.775 177.858 176.300 -0.361 0.000 0.969 484 D CA 0.528 54.380 54.000 -0.246 0.000 0.842 484 D CB 0.323 40.993 40.800 -0.217 0.000 0.957 484 D HN -0.070 nan 8.370 nan 0.000 0.484 485 V N 0.400 119.989 119.914 -0.542 0.000 2.323 485 V HA -0.162 3.958 4.120 -0.000 0.000 0.244 485 V C 1.830 177.752 176.094 -0.285 0.000 1.041 485 V CA 1.715 63.707 62.300 -0.514 0.000 1.025 485 V CB -0.453 30.968 31.823 -0.670 0.000 0.656 485 V HN 0.175 nan 8.190 nan 0.000 0.451 486 D N -0.013 120.241 120.400 -0.244 0.000 2.123 486 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 486 D C 2.043 178.275 176.300 -0.114 0.000 0.992 486 D CA 1.372 55.280 54.000 -0.154 0.000 0.833 486 D CB -0.359 40.361 40.800 -0.133 0.000 0.954 486 D HN 0.360 nan 8.370 nan 0.000 0.455 487 L N 0.378 121.531 121.223 -0.117 0.000 2.043 487 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 487 L C 2.252 179.085 176.870 -0.062 0.000 1.075 487 L CA 1.585 56.378 54.840 -0.078 0.000 0.752 487 L CB 0.038 42.051 42.059 -0.076 0.000 0.891 487 L HN -0.047 nan 8.230 nan 0.000 0.432 488 R N -1.429 119.019 120.500 -0.086 0.000 2.161 488 R HA -0.030 4.309 4.340 -0.000 0.000 0.213 488 R C 2.061 178.342 176.300 -0.032 0.000 1.055 488 R CA 0.960 57.026 56.100 -0.057 0.000 0.996 488 R CB -0.111 30.141 30.300 -0.081 0.000 0.901 488 R HN 0.286 nan 8.270 nan 0.000 0.456 489 V N 1.741 121.623 119.914 -0.054 0.000 2.307 489 V HA -0.229 3.890 4.120 -0.000 0.000 0.245 489 V C 1.726 177.822 176.094 0.004 0.000 1.045 489 V CA 1.639 63.922 62.300 -0.029 0.000 1.024 489 V CB -0.453 31.335 31.823 -0.059 0.000 0.651 489 V HN 0.319 nan 8.190 nan 0.000 0.449 490 N N 0.262 118.956 118.700 -0.009 0.000 2.149 490 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 490 N C 1.731 177.266 175.510 0.043 0.000 1.019 490 N CA 1.424 54.482 53.050 0.013 0.000 0.857 490 N CB -0.534 37.950 38.487 -0.005 0.000 0.997 490 N HN 0.401 nan 8.380 nan 0.000 0.426 491 L N 1.239 122.483 121.223 0.034 0.000 2.012 491 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 491 L C 2.111 179.037 176.870 0.093 0.000 1.073 491 L CA 1.889 56.760 54.840 0.052 0.000 0.748 491 L CB -1.041 41.039 42.059 0.036 0.000 0.891 491 L HN 0.138 nan 8.230 nan 0.000 0.431 492 A N -0.710 122.177 122.820 0.112 0.000 1.908 492 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 492 A C 2.229 179.984 177.584 0.286 0.000 1.181 492 A CA 2.189 54.337 52.037 0.185 0.000 0.627 492 A CB -0.572 18.530 19.000 0.171 0.000 0.818 492 A HN 0.524 nan 8.150 nan 0.000 0.445 493 M N 0.337 120.090 119.600 0.254 0.000 2.073 493 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 493 M C 1.780 178.273 176.300 0.321 0.000 1.070 493 M CA 1.538 57.054 55.300 0.360 0.000 1.103 493 M CB -1.733 30.956 32.600 0.148 0.000 1.321 493 M HN 0.447 nan 8.290 nan 0.000 0.405 494 N N 0.285 119.078 118.700 0.155 0.000 2.106 494 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 494 N C 1.948 177.470 175.510 0.020 0.000 1.029 494 N CA 1.152 54.249 53.050 0.079 0.000 0.848 494 N CB -0.661 37.858 38.487 0.054 0.000 1.007 494 N HN 0.175 nan 8.380 nan 0.000 0.423 495 V N 1.347 121.285 119.914 0.040 0.000 2.231 495 V HA -0.241 3.878 4.120 -0.000 0.000 0.248 495 V C 2.543 178.502 176.094 -0.226 0.000 1.054 495 V CA 2.258 64.556 62.300 -0.004 0.000 1.015 495 V CB -1.417 30.487 31.823 0.135 0.000 0.638 495 V HN 0.369 nan 8.190 nan 0.000 0.444 496 G N -0.312 108.311 108.800 -0.296 0.000 2.469 496 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 496 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 496 G C 1.628 175.953 174.900 -0.959 0.000 1.150 496 G CA 1.142 45.674 45.100 -0.947 0.000 0.763 496 G HN 0.536 nan 8.290 nan 0.000 0.561 497 K N 0.603 120.714 120.400 -0.481 0.000 2.057 497 K HA 0.113 4.433 4.320 -0.000 0.000 0.206 497 K C 2.961 179.416 176.600 -0.242 0.000 1.050 497 K CA 0.925 57.072 56.287 -0.233 0.000 0.935 497 K CB -0.257 32.239 32.500 -0.007 0.000 0.715 497 K HN 0.256 nan 8.250 nan 0.000 0.439 498 A N 1.711 124.398 122.820 -0.221 0.000 1.972 498 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 498 A C 1.969 179.389 177.584 -0.274 0.000 1.169 498 A CA 1.276 53.204 52.037 -0.182 0.000 0.635 498 A CB -0.206 18.724 19.000 -0.117 0.000 0.810 498 A HN 0.102 nan 8.150 nan 0.000 0.446 499 R N -1.543 118.657 120.500 -0.500 0.000 2.276 499 R HA 0.117 4.457 4.340 -0.000 0.000 0.196 499 R C 1.346 177.262 176.300 -0.640 0.000 0.961 499 R CA 0.764 56.440 56.100 -0.707 0.000 1.024 499 R CB -0.637 28.833 30.300 -1.383 0.000 0.940 499 R HN 0.888 nan 8.270 nan 0.000 0.480 500 G N 0.567 109.076 108.800 -0.484 0.000 2.132 500 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.234 500 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.234 500 G C 0.548 175.386 174.900 -0.105 0.000 0.989 500 G CA 0.119 45.079 45.100 -0.234 0.000 0.676 500 G HN 0.202 nan 8.290 nan 0.000 0.522 501 F N 0.182 119.924 119.950 -0.346 0.000 2.098 501 F HA 0.345 4.872 4.527 -0.000 0.000 0.294 501 F C 1.565 177.251 175.800 -0.190 0.000 1.107 501 F CA 0.866 58.659 58.000 -0.344 0.000 1.234 501 F CB -0.777 37.899 39.000 -0.540 0.000 1.002 501 F HN 0.362 nan 8.300 nan 0.000 0.472 502 F N -0.790 119.242 119.950 0.138 0.000 2.650 502 F HA 0.681 5.208 4.527 -0.000 0.000 0.320 502 F C -0.696 175.122 175.800 0.030 0.000 1.091 502 F CA -2.260 55.781 58.000 0.069 0.000 0.962 502 F CB 1.155 40.190 39.000 0.059 0.000 1.363 502 F HN -0.167 nan 8.300 nan 0.000 0.482 503 K N -0.089 120.510 120.400 0.331 0.000 2.433 503 K HA 0.475 4.795 4.320 -0.000 0.000 0.252 503 K C -1.333 175.355 176.600 0.146 0.000 1.015 503 K CA -1.329 55.073 56.287 0.191 0.000 0.860 503 K CB 2.197 34.759 32.500 0.103 0.000 1.359 503 K HN 0.742 nan 8.250 nan 0.000 0.452 504 K N 0.220 120.676 120.400 0.094 0.000 2.504 504 K HA -0.016 4.304 4.320 -0.000 0.000 0.278 504 K C 0.648 177.266 176.600 0.030 0.000 1.025 504 K CA 1.817 58.134 56.287 0.049 0.000 1.093 504 K CB -0.525 31.995 32.500 0.034 0.000 0.873 504 K HN 0.867 nan 8.250 nan 0.000 0.483 505 G N 2.857 111.659 108.800 0.004 0.000 2.194 505 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.236 505 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.236 505 G C -0.193 174.701 174.900 -0.010 0.000 0.987 505 G CA 0.135 45.231 45.100 -0.006 0.000 0.635 505 G HN 0.715 nan 8.290 nan 0.000 0.520 506 D N 0.102 120.501 120.400 -0.002 0.000 2.371 506 D HA 0.506 5.145 4.640 -0.000 0.000 0.242 506 D C 0.934 177.189 176.300 -0.074 0.000 1.218 506 D CA 0.765 54.760 54.000 -0.008 0.000 0.945 506 D CB 1.616 42.450 40.800 0.057 0.000 1.137 506 D HN 0.936 nan 8.370 nan 0.000 0.464 507 V N -1.511 118.360 119.914 -0.072 0.000 2.628 507 V HA 0.787 4.906 4.120 -0.000 0.000 0.306 507 V C -0.032 175.982 176.094 -0.134 0.000 1.045 507 V CA -0.853 61.383 62.300 -0.106 0.000 0.905 507 V CB 1.381 33.165 31.823 -0.065 0.000 0.997 507 V HN 0.359 nan 8.190 nan 0.000 0.436 508 V N 1.749 121.554 119.914 -0.181 0.000 3.102 508 V HA 0.736 4.856 4.120 -0.000 0.000 0.312 508 V C -0.709 175.320 176.094 -0.108 0.000 1.135 508 V CA -0.923 61.278 62.300 -0.164 0.000 1.022 508 V CB 2.204 33.855 31.823 -0.286 0.000 1.056 508 V HN 0.796 nan 8.190 nan 0.000 0.436 509 I N 2.297 122.823 120.570 -0.074 0.000 2.339 509 I HA 0.512 4.682 4.170 -0.000 0.000 0.290 509 I C -0.228 175.868 176.117 -0.036 0.000 0.994 509 I CA -0.672 60.596 61.300 -0.053 0.000 1.191 509 I CB 1.285 39.253 38.000 -0.053 0.000 1.343 509 I HN 0.472 nan 8.210 nan 0.000 0.458 510 V N 7.664 127.559 119.914 -0.031 0.000 2.357 510 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 510 V C 0.126 176.221 176.094 0.002 0.000 1.018 510 V CA -0.577 61.712 62.300 -0.018 0.000 0.841 510 V CB 1.974 33.779 31.823 -0.031 0.000 0.991 510 V HN 0.450 nan 8.190 nan 0.000 0.437 511 L N 5.910 127.141 121.223 0.012 0.000 2.272 511 L HA 0.747 5.087 4.340 -0.000 0.000 0.289 511 L C 0.365 177.251 176.870 0.027 0.000 1.032 511 L CA 0.078 54.934 54.840 0.027 0.000 0.810 511 L CB 1.882 43.962 42.059 0.036 0.000 1.205 511 L HN 0.893 nan 8.230 nan 0.000 0.422 512 T N -0.392 114.186 114.554 0.040 0.000 2.812 512 T HA 0.633 4.983 4.350 -0.000 0.000 0.294 512 T C -0.164 174.594 174.700 0.098 0.000 1.159 512 T CA -0.731 61.397 62.100 0.046 0.000 1.008 512 T CB 1.709 70.581 68.868 0.007 0.000 1.289 512 T HN 0.524 nan 8.240 nan 0.000 0.514 513 G N -0.153 108.759 108.800 0.188 0.000 2.338 513 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 513 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 513 G C 0.364 175.533 174.900 0.448 0.000 1.140 513 G CA -0.803 44.464 45.100 0.278 0.000 0.860 513 G HN 0.790 nan 8.290 nan 0.000 0.470 514 W N 3.471 124.848 121.300 0.129 0.000 2.425 514 W HA 0.053 4.713 4.660 -0.000 0.000 0.277 514 W C -0.008 176.667 176.519 0.260 0.000 1.231 514 W CA 0.579 58.019 57.345 0.158 0.000 1.248 514 W CB 0.349 29.821 29.460 0.019 0.000 1.117 514 W HN 0.309 nan 8.180 nan 0.000 0.568 515 R N -1.384 119.194 120.500 0.130 0.000 2.799 515 R HA 0.213 4.553 4.340 -0.000 0.000 0.270 515 R C -1.831 173.805 176.300 -1.106 0.000 1.010 515 R CA -1.701 54.119 56.100 -0.466 0.000 0.916 515 R CB 0.411 30.593 30.300 -0.197 0.000 1.228 515 R HN -0.313 nan 8.270 nan 0.000 0.469 516 P HA -0.016 nan 4.420 nan 0.000 0.226 516 P C 1.066 177.954 177.300 -0.687 0.000 1.153 516 P CA 0.967 63.043 63.100 -1.707 0.000 0.777 516 P CB 0.237 31.230 31.700 -1.178 0.000 0.794 517 G N -0.640 107.889 108.800 -0.453 0.000 2.494 517 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.216 517 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.216 517 G C 0.450 175.270 174.900 -0.134 0.000 1.140 517 G CA -0.021 44.945 45.100 -0.222 0.000 0.801 517 G HN 0.194 nan 8.290 nan 0.000 0.536 518 S N 0.754 116.367 115.700 -0.144 0.000 2.626 518 S HA 0.258 4.728 4.470 -0.000 0.000 0.303 518 S C 1.474 176.062 174.600 -0.020 0.000 1.256 518 S CA 0.185 58.331 58.200 -0.090 0.000 1.069 518 S CB 1.292 64.412 63.200 -0.134 0.000 0.807 518 S HN 0.355 nan 8.310 nan 0.000 0.500 519 G N 1.855 110.720 108.800 0.108 0.000 3.181 519 G HA2 0.402 4.362 3.960 -0.000 0.000 0.219 519 G HA3 0.402 4.362 3.960 -0.000 0.000 0.219 519 G C -0.017 175.089 174.900 0.344 0.000 1.182 519 G CA -0.140 45.077 45.100 0.196 0.000 0.791 519 G HN 0.668 nan 8.290 nan 0.000 0.537 520 F N -2.471 117.500 119.950 0.035 0.000 2.817 520 F HA 0.507 5.034 4.527 -0.000 0.000 0.317 520 F C -0.315 175.526 175.800 0.067 0.000 1.168 520 F CA -1.478 56.545 58.000 0.038 0.000 0.911 520 F CB 0.496 39.512 39.000 0.026 0.000 1.337 520 F HN -0.061 nan 8.300 nan 0.000 0.464 521 T N 0.593 115.164 114.554 0.028 0.000 2.848 521 T HA 0.229 4.579 4.350 -0.000 0.000 0.283 521 T C 0.168 174.754 174.700 -0.190 0.000 0.919 521 T CA -0.165 61.898 62.100 -0.063 0.000 1.071 521 T CB -0.471 68.428 68.868 0.052 0.000 0.912 521 T HN 0.776 nan 8.240 nan 0.000 0.570 522 N N 1.554 119.984 118.700 -0.450 0.000 2.230 522 N HA 0.070 4.809 4.740 -0.000 0.000 0.202 522 N C -0.441 175.011 175.510 -0.098 0.000 1.119 522 N CA -0.523 52.298 53.050 -0.381 0.000 0.851 522 N CB 0.344 38.432 38.487 -0.664 0.000 0.990 522 N HN 0.513 nan 8.380 nan 0.000 0.497 523 T N 1.302 115.854 114.554 -0.002 0.000 2.792 523 T HA 0.379 4.728 4.350 -0.000 0.000 0.280 523 T C -0.783 173.954 174.700 0.062 0.000 0.990 523 T CA -0.626 61.522 62.100 0.080 0.000 0.960 523 T CB 1.719 70.748 68.868 0.269 0.000 0.939 523 T HN 0.038 nan 8.240 nan 0.000 0.439 524 M N 3.710 123.335 119.600 0.042 0.000 2.259 524 M HA 0.530 5.010 4.480 -0.000 0.000 0.304 524 M C -1.366 174.947 176.300 0.022 0.000 1.019 524 M CA -0.499 54.817 55.300 0.026 0.000 0.922 524 M CB 1.617 34.224 32.600 0.011 0.000 1.600 524 M HN 0.625 nan 8.290 nan 0.000 0.433 525 R N 2.362 122.870 120.500 0.013 0.000 2.750 525 R HA 0.735 5.074 4.340 -0.000 0.000 0.281 525 R C -1.111 175.177 176.300 -0.020 0.000 0.972 525 R CA -0.916 55.186 56.100 0.004 0.000 0.912 525 R CB 2.529 32.836 30.300 0.012 0.000 1.187 525 R HN 0.506 nan 8.270 nan 0.000 0.464 526 V N 3.098 122.998 119.914 -0.025 0.000 2.406 526 V HA 0.328 4.448 4.120 -0.000 0.000 0.272 526 V C -0.279 175.788 176.094 -0.044 0.000 1.043 526 V CA -0.479 61.797 62.300 -0.039 0.000 0.915 526 V CB 1.313 33.115 31.823 -0.035 0.000 0.988 526 V HN 0.418 nan 8.190 nan 0.000 0.466 527 V N 7.254 127.128 119.914 -0.067 0.000 2.638 527 V HA 0.455 4.575 4.120 -0.000 0.000 0.306 527 V C -2.378 173.653 176.094 -0.105 0.000 1.052 527 V CA -1.838 60.416 62.300 -0.076 0.000 0.885 527 V CB 2.518 34.293 31.823 -0.080 0.000 0.999 527 V HN 0.706 nan 8.190 nan 0.000 0.424 528 P HA 0.177 nan 4.420 nan 0.000 0.276 528 P C -0.314 176.911 177.300 -0.125 0.000 1.230 528 P CA -0.011 63.032 63.100 -0.096 0.000 0.776 528 P CB 1.143 32.808 31.700 -0.060 0.000 0.888 529 V N 6.500 126.311 119.914 -0.171 0.000 2.485 529 V HA 0.060 4.180 4.120 -0.000 0.000 0.287 529 V C -1.191 174.863 176.094 -0.067 0.000 1.022 529 V CA -0.655 61.534 62.300 -0.186 0.000 1.067 529 V CB -0.062 31.617 31.823 -0.239 0.000 0.967 529 V HN 0.645 nan 8.190 nan 0.000 0.479 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 530 P CB 0.000 31.691 31.700 -0.015 0.000 0.726